A0A077ZDZ2_TRITR Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A077ZDZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,174 aa.

						>A0A077ZDZ2_TRITR|A0A077ZDZ2
MFSTRNRLDLKRADLLFELCLSLPTAKYSLLTFFPRFLFEQFRRYANVFFLFIALLQQIPDVSPTGRYTTAVPLLCILSVSAIKEIIEDWKRHQADRKTNRSKVHVLRCGNWVEEYWQNICVGDLVKVVSGQFLPADLVLLCSSEPQAMAYIETSNLDGETNLKLRKGSARTAGLLTHEALYHFTGTVECEAPHRRLYEFTGTLKPTNDLAVPLGPDQLLLRGAVLKNTLWIFGLVVYTGHETKLMLNSNVAPLKRSNVDRVTNNQILMLFIMLMVTSLVSAIAAQVWSNSYQETSWYLGMTQIQSTHFGYNFLTFIILYNNLIPISLQVTLEVVRFVQAIFINLDLEMYHAETDTPAAARTSNLNEELGQVKYIFTDKTGTLTKNVMVFKRCSIAGVTYGTTEADRFDDPSLLRNLSSRHITAPVIREFLIMMATCHTVVPEKTSAEDGELTYQASSPDEGALVRGAKELDFVFHTRTPESICISVLGRDEKYDVLNVLDFTSDRKRMSVIVRAPNGKIKLYTKGADTVIYERLAVNQLYGDITLRHLEEFAASGYRTLCMAKADINPEFYEEWNRQHYEASISLQDREAKLAAVAELIEKDLKLLGATAIEDKLQDGVPETIASLLRADIKLWMLTGDKQETAVNIGYSCQLLTAGMALLFVDKNDYEETRDCILGYIEDLGNNLGEDNDVGLIISGKSLHCALYGDVKPAFVDLALSCRVVICCRVSPIQKAEIVDMVKHSIGAITLAIGDGANDVAMIQAAHVGIGISGLEGLQAACASDYSIAQFRYLTRLLFVHGAWSFHRMVKLILYSFHKNICLYIIEASGCTCRSMTSPIIEFSYFQLWFALVSAWTGQTLFERWCIGLYNVLFTAAPPLAIGLFDRTASASTMVKYPTLYKLSQSKESFNVKVFWMWMVNAMYHSVILFWFSKLAFGHGTFSPQLLYSHFCVFAEIVWANGRIGGLYMLGNSVYTVRKYRTLSLCRLLLYAVLFFKYVVITVCLKAALELDAWTWLCHLAIWGSIGAWFVFLFIYCNFWPNVPLGPEMAGMDVVMLSSGFFWMGVFFVPVATLLFDVVYRIVRRTLFKTLADEVRELELSQMDPSVVLPKLIKRSRLSETARLLRTVFRRTVSTVGMAHEVRHGYAFSQEEGGCVSQADMIRSYDSTKVKPEGN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	33.2	Very low	202 Å²	202	154.6 Å²	154.6	100%	0.995	75%	0.746	S	S	*	*				0	109.5	0	-177.6	-177.5	-76.3	0	0	108.3
2	F	40.5	Very low	32.8	Very low	34 Å²	34	159.9 Å²	159.9	15%	0.149	75%	0.752	C	S	.	*			trans	-86.8	137.3	-178.9	-71.2	-95.5	0	0	0	110.1	F184 G186 L235	F2-F184 HydrophobicContact CZ-CD1 4.06Å; F2-F184 AromaticContact CZ-CE1 3.98Å; F2-F184 HydrophobicContact CZ-CE1 3.98Å; F2-G186 WeakPolarHBondContact CD1-O 3.35Å; F2-G186 WeakPolarHBondContact CE1-O 3.13Å; F2-L235 HydrophobicContact CD2-CD1 3.78Å; F2-L235 HydrophobicContact CE1-CD2 4.25Å; F2-L235 HydrophobicContact CE2-CD1 3.81Å; F2-L235 HydrophobicContact CE2-CD2 4.35Å; F2-L235 HydrophobicContact CG-CD1 4.4Å; F2-L235 HydrophobicContact CZ-CD1 4.44Å; F2-L235 HydrophobicContact CZ-CD2 4.17Å
3	S	34	Very low	32.6	Very low	89 Å²	89	150.1 Å²	150.1	62%	0.622	72%	0.715	S	S	*	*			trans	-108	112.8	177.9	-179	0	0	0	0	110.2
4	T	37	Very low	32.4	Very low	91 Å²	91	149.5 Å²	149.5	56%	0.558	72%	0.718	S	S	*	*			trans	-72.7	121.9	173.5	39.7	0	0	0	0	109.9	V122	T4-V122 HydrophobicContact CG2-CG1 4.27Å
5	R	33.3	Very low	32.3	Very low	225 Å²	225	150.7 Å²	150.7	85%	0.849	73%	0.728	S	S	*	*			trans	-139.3	65.2	-170.5	-148.1	178.6	-165.2	-171.3	6.1	113.2	R7	R5-R7 PolarHBondContact O-N 2.85Å
6	N	32.2	Very low	32.2	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	73%	0.728	S	S	*	*			trans	-66.9	127.5	174.3	-89	-18.7	0	0	0	111.7	L8	N6-L8 PolarHBondContact O-N 3.04Å
7	R	29.5	Very low	32.5	Very low	253 Å²	253	148.1 Å²	148.1	96%	0.955	72%	0.716	S	S	*	*			trans	-85	69.5	174.4	-78.3	-174.7	168.2	-173.1	-1.2	111.7	R5	R5-R7 PolarHBondContact O-N 2.85Å
8	L	31.8	Very low	32.6	Very low	150 Å²	150	150.1 Å²	150.1	79%	0.785	72%	0.724	S	S	*	*	S	Bend	trans	-142.3	120	167.7	-89.8	167	0	0	0	110.6	N6	N6-L8 PolarHBondContact O-N 3.04Å
9	D	30.9	Very low	33.1	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	71%	0.706	S	S	*	*			trans	29.5	89.9	173	-67.6	-32.9	0	0	0	120.1	K11	D9-K11 PolarHBondContact O-N 3.39Å
10	L	28.6	Very low	33.5	Very low	161 Å²	161	143.9 Å²	143.9	84%	0.843	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	28	-179.4	-111.7	156	0	0	0	117.1
11	K	31.8	Very low	34.4	Very low	205 Å²	205	138.4 Å²	138.4	89%	0.891	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	7.7	178.3	-72.9	-165.5	176	-177.6	0	116.5	D9	D9-K11 PolarHBondContact O-N 3.39Å
12	R	29.1	Very low	35.2	Very low	218 Å²	218	131.3 Å²	131.3	82%	0.823	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	-6.7	173.3	-102.6	-178.2	176.1	171.3	-1.5	115.4
13	A	30	Very low	35.9	Very low	32 Å²	32	130.3 Å²	130.3	26%	0.264	65%	0.645	S	S	.	*	S	Bend	trans	-77.1	-36.8	-171.7	0	0	0	0	0	114.2	L15 L16 F17	A13-L15 PolarHBondContact O-N 3.01Å; A13-L16 PolarHBondContact O-N 3Å; A13-F17 HydrophobicContact CB-CD2 4.33Å; A13-F17 PolarHBondContact O-N 3.41Å
14	D	29.4	Very low	37.1	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-12	-168.7	-50.4	-30.5	0	0	0	114.5
15	L	31.3	Very low	38.1	Very low	167 Å²	167	129 Å²	129	87%	0.874	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	4.6	175.9	-108.6	160.2	0	0	0	113.5	A13	A13-L15 PolarHBondContact O-N 3.01Å
16	L	31.2	Very low	39.6	Very low	137 Å²	137	119.2 Å²	119.2	72%	0.717	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	-4.9	174.9	-76.1	168.1	0	0	0	112.8	A13 E18	A13-L16 PolarHBondContact O-N 3Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 2.83Å
17	F	35.8	Very low	41.2	Very low	120 Å²	120	114.7 Å²	114.7	53%	0.526	58%	0.575	S	S	.	*			trans	-83.2	1.8	179.2	-108.1	-82.8	0	0	0	115	A13 L19	A13-F17 HydrophobicContact CB-CD2 4.33Å; A13-F17 PolarHBondContact O-N 3.41Å; F17-L19 PolarHBondContact O-N 3.23Å
18	E	34.8	Very low	43.2	Very low	185 Å²	185	103.2 Å²	103.2	86%	0.864	53%	0.532	S	S	*	.			trans	-71.2	70.6	156.2	-71.9	-165	149.3	0	0	109.7	L16 C20	L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 2.83Å; E18-C20 PolarHBondContact O-N 3.46Å
19	L	41.9	Very low	45.4	Very low	74 Å²	74	98.9 Å²	98.9	39%	0.387	52%	0.515	S	S	.	.			trans	-61.3	97.3	170.2	-88.1	162.3	0	0	0	108.4	F17 L21	F17-L19 PolarHBondContact O-N 3.23Å; L19-L21 PolarHBondContact O-N 3Å
20	C	41.2	Very low	47.6	Very low	101 Å²	101	100.4 Å²	100.4	68%	0.682	52%	0.522	S	S	*	.			trans	-70.9	97.3	-167.5	-158.2	0	0	0	0	111.1	E18 S22	E18-C20 PolarHBondContact O-N 3.46Å; C20-S22 PolarHBondContact O-N 3.46Å
21	L	51.9	Low	50.2	Low	29 Å²	29	100.3 Å²	100.3	15%	0.152	52%	0.521	C	S	.	.			trans	-67.4	-16.7	-171.3	-78.7	155.6	0	0	0	115.2	L19 L23 Q118 I120 T239	L19-L21 PolarHBondContact O-N 3Å; L21-L23 PolarHBondContact O-N 3.49Å; L21-Q118 VanDerWaalsContact CB-O 3.31Å; L21-Q118 WeakPolarHBondContact CB-O 3.19Å; L21-Q118 WeakPolarHBondContact CD1-O 3.3Å; L21-I120 WeakPolarHBondContact CD1-O 3.05Å; L21-I120 WeakPolarHBondContact CD2-O 3.4Å; L21-T239 HydrophobicContact CD2-CG2 4.1Å
22	S	52.1	Low	52.7	Low	54 Å²	54	92.6 Å²	92.6	38%	0.378	49%	0.492	S	S	.	.			trans	-63	130.4	173.4	59.9	0	0	0	0	110.2	C20 P24	C20-S22 PolarHBondContact O-N 3.46Å; S22-P24 WeakPolarHBondContact O-CD 3.5Å
23	L	55.1	Low	55.3	Low	12 Å²	12	84.2 Å²	84.2	6%	0.063	46%	0.461	C	S	.	.			trans	-92.2	106.1	172.8	-65	143.1	0	0	0	109.8	L21 D96 N100 M246	L21-L23 PolarHBondContact O-N 3.49Å; L23-D96 WeakPolarHBondContact O-CB 3.3Å; L23-D96 VanDerWaalsContact O-CG 3.29Å; L23-N100 PolarHBondContact N-ND2 3.42Å; L23-N100 PolarHBondContact N-OD1 3.27Å; L23-N100 VanDerWaalsContact N-OD1 3.14Å; L23-N100 PolarHBondContact O-ND2 2.92Å; L23-M246 HydrophobicContact CD2-CE 3.81Å; L23-M246 HydrophobicContact CD2-CG 3.87Å; L23-M246 HydrophobicContact CD2-SD 3.83Å
24	P	60.9	Low	58	Low	71 Å²	71	89.3 Å²	89.3	46%	0.461	48%	0.477	S	S	.	.			trans	-84.9	111.9	168.1	32.2	-34.1	0	0	0	110.8	S22	S22-P24 WeakPolarHBondContact O-CD 3.5Å
25	T	58.3	Low	60.8	Low	83 Å²	83	86.1 Å²	86.1	51%	0.509	47%	0.465	S	S	.	.			trans	-93.3	-6.2	165	70.1	0	0	0	0	112.7	R92 D96	T25-R92 WeakPolarHBondContact O-CD 3.32Å; T25-D96 VanDerWaalsContact CB-OD1 3.29Å; T25-D96 WeakPolarHBondContact CB-OD1 3.49Å; T25-D96 WeakPolarHBondContact CG2-OD1 3.26Å; T25-D96 VanDerWaalsContact N-CG 3.34Å; T25-D96 PolarHBondContact N-OD1 3.35Å; T25-D96 PolarHBondContact N-OD2 2.97Å; T25-D96 PolarHBondContact OG1-OD1 2.77Å
26	A	64.1	Low	63.2	Low	19 Å²	19	84.8 Å²	84.8	16%	0.157	45%	0.448	C	S	.	.			trans	-57.3	138.5	173.5	0	0	0	0	0	113.5	Y28 D89 R92 H93	A26-Y28 PolarHBondContact O-N 3.39Å; A26-D89 WeakPolarHBondContact CA-OD1 3.38Å; A26-D89 WeakPolarHBondContact CB-OD2 3.31Å; A26-R92 HydrophobicContact CB-CB 4.42Å; A26-H93 WeakPolarHBondContact CB-CE1 3.39Å; A26-H93 WeakPolarHBondContact CB-ND1 3.45Å
27	K	66.1	Low	65.9	Low	54 Å²	54	78.6 Å²	78.6	24%	0.235	42%	0.415	C	S	.	.	S	Bend	trans	-60.4	-34.2	172.5	-85.9	-171.8	177.4	-173.9	0	111.3	R36 E40 E85 D89	K27-R36 PolarHBondContact O-NH1 2.96Å; K27-E40 IonicContact NZ-OE1 2.69Å; K27-E40 PolarHBondContact NZ-OE1 2.76Å; K27-E40 IonicContact NZ-OE2 2.72Å; K27-E40 PolarHBondContact NZ-OE2 3.39Å; K27-E85 IonicContact NZ-OE1 3.01Å; K27-E85 PolarHBondContact NZ-OE1 2.95Å; K27-E85 IonicContact NZ-OE2 2.74Å; K27-E85 PolarHBondContact NZ-OE2 2.99Å; K27-D89 PolarHBondContact N-OD1 3.06Å; K27-D89 PolarHBondContact N-OD2 2.87Å; K27-D89 VanDerWaalsContact N-OD2 3.11Å
28	Y	70.9	Confident	68.3	Low	12 Å²	12	75.1 Å²	75.1	5%	0.047	40%	0.402	C	S	.	.			trans	-130.5	142.9	-164.7	-46.8	-68	0	0	0	111.5	A26 F33 R36 E40 E85 D89	A26-Y28 PolarHBondContact O-N 3.39Å; Y28-F33 HydrophobicContact CD1-CD2 4.34Å; Y28-F33 AromaticContact CD2-CD2 3.62Å; Y28-F33 HydrophobicContact CD2-CD2 3.62Å; Y28-F33 HydrophobicContact CD2-CE2 4.17Å; Y28-F33 HydrophobicContact CE2-CD2 4.04Å; Y28-F33 HydrophobicContact CE2-CE2 4.19Å; Y28-F33 HydrophobicContact CG-CB 4.3Å; Y28-F33 AromaticContact CG-CD2 3.78Å; Y28-F33 HydrophobicContact CG-CD2 3.78Å; Y28-R36 HydrophobicContact CD1-CB 3.78Å; Y28-R36 HydrophobicContact CE1-CB 3.66Å; Y28-E40 PolarHBondContact OH-OE2 2.96Å; Y28-E85 HydrophobicContact CE2-CB 4.33Å; Y28-E85 PolarHBondContact OH-OE2 2.99Å; Y28-E85 VanDerWaalsContact OH-OE2 3.14Å; Y28-D89 WeakPolarHBondContact CB-OD2 3.45Å; Y28-D89 HydrophobicContact CD2-CB 4.05Å; Y28-D89 VanDerWaalsContact CD2-OD2 3.24Å; Y28-D89 WeakPolarHBondContact CD2-OD2 3.35Å; Y28-D89 PolarHBondContact N-OD2 2.96Å
29	S	77.9	Confident	70.7	Confident	60 Å²	60	73.2 Å²	73.2	42%	0.42	39%	0.391	S	S	.	.			trans	-94.7	162.4	156.2	68.6	0	0	0	0	109.5	L31 T32 F33	S29-L31 PolarHBondContact O-N 3.43Å; S29-T32 PolarHBondContact N-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.82Å; S29-T32 PolarHBondContact O-OG1 3.27Å; S29-T32 WeakPolarHBondContact OG-CG2 3.39Å; S29-T32 PolarHBondContact OG-N 3.06Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; S29-F33 PolarHBondContact O-N 3.43Å
30	L	78	Confident	72.4	Confident	172 Å²	172	71.7 Å²	71.7	90%	0.901	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-34.4	179.4	-68	171.6	0	0	0	113.6
31	L	82.4	Confident	74.4	Confident	159 Å²	159	67 Å²	67	83%	0.832	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-25.3	177.9	-62.1	176.4	0	0	0	113.9	S29	S29-L31 PolarHBondContact O-N 3.43Å
32	T	83.8	Confident	76	Confident	44 Å²	44	68.5 Å²	68.5	27%	0.27	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-12.2	-177	57.9	0	0	0	0	114.1	S29 P35 R36	S29-T32 PolarHBondContact N-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.82Å; S29-T32 PolarHBondContact O-OG1 3.27Å; S29-T32 WeakPolarHBondContact OG-CG2 3.39Å; S29-T32 PolarHBondContact OG-N 3.06Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; T32-P35 WeakPolarHBondContact O-CD 3.39Å; T32-R36 VanDerWaalsContact O-CB 3.27Å; T32-R36 WeakPolarHBondContact O-CB 3.35Å; T32-R36 VanDerWaalsContact O-CG 3.32Å; T32-R36 WeakPolarHBondContact O-CG 3.42Å; T32-R36 PolarHBondContact O-N 2.95Å; T32-R36 VanDerWaalsContact O-N 3.14Å
33	F	84.9	Confident	77.3	Confident	42 Å²	42	72.1 Å²	72.1	18%	0.184	36%	0.361	C	S	.	.	H	α-helix	trans	-50.9	-63.7	176.2	173.6	-103.2	0	0	0	112	Y28 S29 R36 F37 A82 E85 I86	Y28-F33 HydrophobicContact CD1-CD2 4.34Å; Y28-F33 AromaticContact CD2-CD2 3.62Å; Y28-F33 HydrophobicContact CD2-CD2 3.62Å; Y28-F33 HydrophobicContact CD2-CE2 4.17Å; Y28-F33 HydrophobicContact CE2-CD2 4.04Å; Y28-F33 HydrophobicContact CE2-CE2 4.19Å; Y28-F33 HydrophobicContact CG-CB 4.3Å; Y28-F33 AromaticContact CG-CD2 3.78Å; Y28-F33 HydrophobicContact CG-CD2 3.78Å; S29-F33 PolarHBondContact O-N 3.43Å; F33-R36 PolarHBondContact O-N 2.76Å; F33-F37 HydrophobicContact CE2-CB 4.25Å; F33-F37 HydrophobicContact CE2-CD2 4.47Å; F33-F37 HydrophobicContact CE2-CG 4.46Å; F33-F37 HydrophobicContact CZ-CB 4.26Å; F33-F37 HydrophobicContact CZ-CD2 4.34Å; F33-F37 HydrophobicContact CZ-CG 4.16Å; F33-F37 WeakPolarHBondContact O-CB 3.39Å; F33-F37 PolarHBondContact O-N 2.98Å; F33-A82 HydrophobicContact CZ-CB 4.35Å; F33-E85 HydrophobicContact CE2-CB 4.34Å; F33-I86 HydrophobicContact CD2-CG1 4.5Å; F33-I86 HydrophobicContact CE1-CD1 3.98Å; F33-I86 HydrophobicContact CE1-CG1 4.05Å; F33-I86 HydrophobicContact CE2-CD1 4.49Å; F33-I86 HydrophobicContact CE2-CG1 3.71Å; F33-I86 HydrophobicContact CZ-CD1 3.76Å; F33-I86 HydrophobicContact CZ-CG1 3.45Å; F33-I86 VanDerWaalsContact CZ-CG1 3.45Å
34	F	85.8	Confident	78.3	Confident	138 Å²	138	74.3 Å²	74.3	61%	0.605	37%	0.368	S	S	*	.	H	α-helix	trans	-57.1	-51.7	-173.4	-172.8	-103.5	0	0	0	114.2	L38	F34-L38 HydrophobicContact CD1-CD1 4.13Å; F34-L38 HydrophobicContact CD2-CD1 4.49Å; F34-L38 HydrophobicContact CE1-CD1 3.6Å; F34-L38 HydrophobicContact CE2-CD1 4Å; F34-L38 HydrophobicContact CE2-CG 4.42Å; F34-L38 HydrophobicContact CZ-CD1 3.54Å; F34-L38 HydrophobicContact CZ-CG 4.42Å; F34-L38 WeakPolarHBondContact O-CG 3.35Å; F34-L38 PolarHBondContact O-N 2.79Å
35	P	87.9	Confident	79.2	Confident	76 Å²	76	79.3 Å²	79.3	49%	0.494	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-38.1	179.5	25.7	-34.4	0	0	0	113.3	T32 F39	T32-P35 WeakPolarHBondContact O-CD 3.39Å; P35-F39 WeakPolarHBondContact O-CB 3.41Å; P35-F39 PolarHBondContact O-N 2.91Å; P35-F39 VanDerWaalsContact O-N 3.15Å
36	R	83.2	Confident	80.2	Confident	139 Å²	139	75.4 Å²	75.4	53%	0.525	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-43.1	177.4	-71.1	-178.7	169.8	-172.4	-2.3	111.6	K27 Y28 T32 F33 F39 E40	K27-R36 PolarHBondContact O-NH1 2.96Å; Y28-R36 HydrophobicContact CD1-CB 3.78Å; Y28-R36 HydrophobicContact CE1-CB 3.66Å; T32-R36 VanDerWaalsContact O-CB 3.27Å; T32-R36 WeakPolarHBondContact O-CB 3.35Å; T32-R36 VanDerWaalsContact O-CG 3.32Å; T32-R36 WeakPolarHBondContact O-CG 3.42Å; T32-R36 PolarHBondContact O-N 2.95Å; T32-R36 VanDerWaalsContact O-N 3.14Å; F33-R36 PolarHBondContact O-N 2.76Å; R36-F39 PolarHBondContact O-N 3.01Å; R36-E40 WeakPolarHBondContact O-CB 3.42Å; R36-E40 PolarHBondContact O-N 2.91Å
37	F	86.4	Confident	81.2	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-49.9	177.6	171.2	-98.4	0	0	0	111.9	F33 F39 E40 Q41 L78 A82 E85	F33-F37 HydrophobicContact CE2-CB 4.25Å; F33-F37 HydrophobicContact CE2-CD2 4.47Å; F33-F37 HydrophobicContact CE2-CG 4.46Å; F33-F37 HydrophobicContact CZ-CB 4.26Å; F33-F37 HydrophobicContact CZ-CD2 4.34Å; F33-F37 HydrophobicContact CZ-CG 4.16Å; F33-F37 WeakPolarHBondContact O-CB 3.39Å; F33-F37 PolarHBondContact O-N 2.98Å; F37-F39 VanDerWaalsContact C-N 3.33Å; F37-F39 PolarHBondContact O-N 3.38Å; F37-E40 PolarHBondContact O-N 2.93Å; F37-Q41 HydrophobicContact CD1-CG 4.5Å; F37-Q41 HydrophobicContact CD2-CG 4.24Å; F37-Q41 HydrophobicContact CE1-CG 4Å; F37-Q41 HydrophobicContact CE2-CG 3.71Å; F37-Q41 HydrophobicContact CZ-CG 3.56Å; F37-Q41 WeakPolarHBondContact O-CG 3.49Å; F37-Q41 PolarHBondContact O-N 2.86Å; F37-L78 WeakPolarHBondContact CZ-O 3.42Å; F37-A82 HydrophobicContact CD1-CB 4.49Å; F37-A82 HydrophobicContact CE1-CB 3.81Å; F37-A82 HydrophobicContact CE2-CB 4.05Å; F37-A82 VanDerWaalsContact CZ-CA 3.46Å; F37-A82 HydrophobicContact CZ-CB 3.56Å; F37-E85 HydrophobicContact CD2-CB 4.3Å; F37-E85 HydrophobicContact CD2-CG 4.1Å; F37-E85 HydrophobicContact CE2-CB 4.46Å; F37-E85 HydrophobicContact CE2-CG 4.11Å
38	L	86.7	Confident	82.2	Confident	48 Å²	48	75.4 Å²	75.4	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-41.3	178.1	-70.9	-176.4	0	0	0	111.8	F34 E40 Q41 F42	F34-L38 HydrophobicContact CD1-CD1 4.13Å; F34-L38 HydrophobicContact CD2-CD1 4.49Å; F34-L38 HydrophobicContact CE1-CD1 3.6Å; F34-L38 HydrophobicContact CE2-CD1 4Å; F34-L38 HydrophobicContact CE2-CG 4.42Å; F34-L38 HydrophobicContact CZ-CD1 3.54Å; F34-L38 HydrophobicContact CZ-CG 4.42Å; F34-L38 WeakPolarHBondContact O-CG 3.35Å; F34-L38 PolarHBondContact O-N 2.79Å; L38-E40 PolarHBondContact O-N 2.91Å; L38-Q41 PolarHBondContact O-N 2.79Å; L38-F42 HydrophobicContact CB-CD2 4.37Å; L38-F42 HydrophobicContact CB-CE2 4.45Å; L38-F42 HydrophobicContact CD2-CE2 4.17Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.9Å
39	F	85.9	Confident	82.9	Confident	144 Å²	144	75.7 Å²	75.7	63%	0.632	36%	0.359	S	S	*	.	H	α-helix	trans	-61.7	-42.7	174.3	-175.7	-105.1	0	0	0	112.1	P35 R36 F37 F42 R43	P35-F39 WeakPolarHBondContact O-CB 3.41Å; P35-F39 PolarHBondContact O-N 2.91Å; P35-F39 VanDerWaalsContact O-N 3.15Å; R36-F39 PolarHBondContact O-N 3.01Å; F37-F39 VanDerWaalsContact C-N 3.33Å; F37-F39 PolarHBondContact O-N 3.38Å; F39-F42 PolarHBondContact O-N 3.18Å; F39-R43 HydrophobicContact CE1-CG 4.44Å; F39-R43 WeakPolarHBondContact O-CG 3.46Å; F39-R43 PolarHBondContact O-N 2.85Å; F39-R43 VanDerWaalsContact O-N 3.11Å
40	E	77.7	Confident	83.4	Confident	43 Å²	43	73 Å²	73	20%	0.201	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-39.8	177.3	-168.9	167	-174.2	0	0	112.2	K27 Y28 R36 F37 L38	K27-E40 IonicContact NZ-OE1 2.69Å; K27-E40 PolarHBondContact NZ-OE1 2.76Å; K27-E40 IonicContact NZ-OE2 2.72Å; K27-E40 PolarHBondContact NZ-OE2 3.39Å; Y28-E40 PolarHBondContact OH-OE2 2.96Å; R36-E40 WeakPolarHBondContact O-CB 3.42Å; R36-E40 PolarHBondContact O-N 2.91Å; F37-E40 PolarHBondContact O-N 2.93Å; L38-E40 PolarHBondContact O-N 2.91Å
41	Q	83.5	Confident	83.9	Confident	3 Å²	3	68 Å²	68	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-71.9	-38.4	176.4	-68.1	-59.6	-20.2	0	0	113.5	F37 L38 R43 R44 N47 L78	F37-Q41 HydrophobicContact CD1-CG 4.5Å; F37-Q41 HydrophobicContact CD2-CG 4.24Å; F37-Q41 HydrophobicContact CE1-CG 4Å; F37-Q41 HydrophobicContact CE2-CG 3.71Å; F37-Q41 HydrophobicContact CZ-CG 3.56Å; F37-Q41 WeakPolarHBondContact O-CG 3.49Å; F37-Q41 PolarHBondContact O-N 2.86Å; L38-Q41 PolarHBondContact O-N 2.79Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 2.76Å; Q41-R44 WeakPolarHBondContact O-CB 3.47Å; Q41-R44 WeakPolarHBondContact O-CG 3.41Å; Q41-R44 PolarHBondContact O-N 2.92Å; Q41-N47 PolarHBondContact O-ND2 3.49Å; Q41-N47 PolarHBondContact OE1-ND2 3.32Å; Q41-L78 HydrophobicContact CB-CD2 3.9Å; Q41-L78 HydrophobicContact CG-CD2 4.1Å
42	F	84.8	Confident	84.3	Confident	59 Å²	59	65.6 Å²	65.6	26%	0.259	30%	0.297	S	S	.	.	H	α-helix	trans	-81.3	-1	177.3	-67.4	-57.2	0	0	0	114.1	L38 F39 R44 N47 V48 L51 L78	L38-F42 HydrophobicContact CB-CD2 4.37Å; L38-F42 HydrophobicContact CB-CE2 4.45Å; L38-F42 HydrophobicContact CD2-CE2 4.17Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.9Å; F39-F42 PolarHBondContact O-N 3.18Å; F42-R44 PolarHBondContact O-N 3.17Å; F42-N47 HydrophobicContact CD1-CB 3.93Å; F42-N47 HydrophobicContact CE1-CB 4.16Å; F42-V48 HydrophobicContact CB-CG2 4.34Å; F42-V48 HydrophobicContact CD1-CG2 4.46Å; F42-V48 WeakPolarHBondContact O-CG2 3.4Å; F42-L51 HydrophobicContact CD1-CD2 4.22Å; F42-L51 HydrophobicContact CE1-CB 3.96Å; F42-L51 HydrophobicContact CE1-CD2 3.79Å; F42-L51 HydrophobicContact CE1-CG 4.36Å; F42-L51 HydrophobicContact CE2-CD2 4.44Å; F42-L51 HydrophobicContact CZ-CD2 3.91Å; F42-L78 HydrophobicContact CZ-CD1 4.12Å
43	R	80.1	Confident	84.5	Confident	131 Å²	131	63.5 Å²	63.5	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	5.7	160.4	-74.8	174.6	78.5	-160	6.9	113.7	F39 Q41	F39-R43 HydrophobicContact CE1-CG 4.44Å; F39-R43 WeakPolarHBondContact O-CG 3.46Å; F39-R43 PolarHBondContact O-N 2.85Å; F39-R43 VanDerWaalsContact O-N 3.11Å; Q41-R43 VanDerWaalsContact C-N 3.28Å; Q41-R43 PolarHBondContact O-N 2.76Å
44	R	75.9	Confident	84.7	Confident	58 Å²	58	61.9 Å²	61.9	22%	0.219	28%	0.279	C	S	.	.	S	Bend	trans	-108.1	121.5	174.6	-53.6	-178.1	-174.3	-169.1	1.1	110.2	Q41 F42 A46 N47 V48 Q329 E333	Q41-R44 WeakPolarHBondContact O-CB 3.47Å; Q41-R44 WeakPolarHBondContact O-CG 3.41Å; Q41-R44 PolarHBondContact O-N 2.92Å; F42-R44 PolarHBondContact O-N 3.17Å; R44-A46 VanDerWaalsContact C-N 3.28Å; R44-A46 PolarHBondContact O-N 2.88Å; R44-N47 HydrophobicContact CB-CB 4.44Å; R44-N47 PolarHBondContact O-N 3.49Å; R44-N47 VanDerWaalsContact O-N 3.08Å; R44-V48 PolarHBondContact O-N 2.69Å; R44-Q329 VanDerWaalsContact CD-OE1 3.26Å; R44-E333 IonicContact CZ-OE1 2.74Å; R44-E333 IonicContact NH1-OE1 2.75Å; R44-E333 PolarHBondContact NH1-OE1 3.44Å; R44-E333 IonicContact NH2-OE1 3.31Å; R44-E333 PolarHBondContact NH2-OE1 3.3Å
45	Y	79.6	Confident	84.9	Confident	175 Å²	175	60.6 Å²	60.6	69%	0.686	28%	0.277	S	S	*	.	H	α-helix	trans	-57.3	-36.1	-174.2	-61.4	-64.8	0	0	0	114.2	V48 F49	Y45-V48 PolarHBondContact O-N 3.38Å; Y45-F49 WeakPolarHBondContact O-CB 3.45Å; Y45-F49 PolarHBondContact O-N 3.19Å
46	A	79.6	Confident	85	Confident	2 Å²	2	58 Å²	58	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-40.7	177.4	0	0	0	0	0	112.6	R44 V48 F49 F50	R44-A46 VanDerWaalsContact C-N 3.28Å; R44-A46 PolarHBondContact O-N 2.88Å; A46-V48 VanDerWaalsContact C-N 3.31Å; A46-V48 PolarHBondContact O-N 2.99Å; A46-F49 WeakPolarHBondContact O-CB 3.42Å; A46-F49 PolarHBondContact O-N 2.75Å; A46-F50 HydrophobicContact CB-CD2 4.4Å; A46-F50 HydrophobicContact CB-CE2 3.98Å; A46-F50 WeakPolarHBondContact O-CD2 3.48Å; A46-F50 WeakPolarHBondContact O-CG 3.26Å; A46-F50 PolarHBondContact O-N 3.14Å
47	N	83.5	Confident	85.3	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-36.9	176.7	-71.4	-13.9	0	0	0	111.5	Q41 F42 R44 L51	Q41-N47 PolarHBondContact O-ND2 3.49Å; Q41-N47 PolarHBondContact OE1-ND2 3.32Å; F42-N47 HydrophobicContact CD1-CB 3.93Å; F42-N47 HydrophobicContact CE1-CB 4.16Å; R44-N47 HydrophobicContact CB-CB 4.44Å; R44-N47 PolarHBondContact O-N 3.49Å; R44-N47 VanDerWaalsContact O-N 3.08Å; N47-L51 VanDerWaalsContact O-CB 3.3Å; N47-L51 WeakPolarHBondContact O-CB 3.17Å; N47-L51 PolarHBondContact O-N 2.91Å
48	V	87.3	Confident	85.5	Confident	69 Å²	69	54.7 Å²	54.7	42%	0.418	25%	0.25	S	C	.	.	H	α-helix	trans	-65.6	-43.6	172.9	179.9	0	0	0	0	111.1	F42 R44 Y45 A46 L51 F52	F42-V48 HydrophobicContact CB-CG2 4.34Å; F42-V48 HydrophobicContact CD1-CG2 4.46Å; F42-V48 WeakPolarHBondContact O-CG2 3.4Å; R44-V48 PolarHBondContact O-N 2.69Å; Y45-V48 PolarHBondContact O-N 3.38Å; A46-V48 VanDerWaalsContact C-N 3.31Å; A46-V48 PolarHBondContact O-N 2.99Å; V48-L51 PolarHBondContact O-N 3.11Å; V48-F52 WeakPolarHBondContact O-CB 3.11Å; V48-F52 PolarHBondContact O-N 3.25Å
49	F	87.2	Confident	85.5	Confident	18 Å²	18	55.2 Å²	55.2	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-49.3	175.5	171.7	-103.1	0	0	0	111.9	Y45 A46 L51 F52 I53 F271 L274 N321 I324	Y45-F49 WeakPolarHBondContact O-CB 3.45Å; Y45-F49 PolarHBondContact O-N 3.19Å; A46-F49 WeakPolarHBondContact O-CB 3.42Å; A46-F49 PolarHBondContact O-N 2.75Å; F49-L51 VanDerWaalsContact C-N 3.35Å; F49-L51 PolarHBondContact O-N 2.69Å; F49-F52 WeakPolarHBondContact O-CB 3.41Å; F49-F52 PolarHBondContact O-N 3.4Å; F49-I53 HydrophobicContact CD2-CG1 4.2Å; F49-I53 HydrophobicContact CE1-CG1 4.11Å; F49-I53 HydrophobicContact CE2-CD1 3.9Å; F49-I53 HydrophobicContact CE2-CG1 3.78Å; F49-I53 HydrophobicContact CZ-CD1 4.07Å; F49-I53 HydrophobicContact CZ-CG1 3.73Å; F49-I53 WeakPolarHBondContact O-CG1 3.46Å; F49-I53 PolarHBondContact O-N 3.3Å; F49-F271 AromaticContact CD2-CD2 3.7Å; F49-F271 HydrophobicContact CD2-CD2 3.7Å; F49-F271 AromaticContact CD2-CE2 3.72Å; F49-F271 HydrophobicContact CD2-CE2 3.72Å; F49-F271 AromaticContact CE2-CD2 3.66Å; F49-F271 HydrophobicContact CE2-CD2 3.66Å; F49-F271 AromaticContact CE2-CE2 3.73Å; F49-F271 HydrophobicContact CE2-CE2 3.73Å; F49-L274 HydrophobicContact CZ-CD1 3.97Å; F49-N321 HydrophobicContact CZ-CB 4.28Å; F49-I324 HydrophobicContact CD1-CB 4.46Å; F49-I324 HydrophobicContact CD1-CD1 4.04Å; F49-I324 HydrophobicContact CE1-CB 4.05Å; F49-I324 HydrophobicContact CE1-CD1 3.8Å; F49-I324 HydrophobicContact CE1-CG1 4.26Å; F49-I324 HydrophobicContact CE2-CD1 4.35Å; F49-I324 HydrophobicContact CG-CD1 4.41Å; F49-I324 HydrophobicContact CZ-CD1 3.97Å
50	F	87	Confident	85.3	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-31.7	179.4	-61.8	-53.6	0	0	0	113	A46 A54 T70 L74 I324 I326	A46-F50 HydrophobicContact CB-CD2 4.4Å; A46-F50 HydrophobicContact CB-CE2 3.98Å; A46-F50 WeakPolarHBondContact O-CD2 3.48Å; A46-F50 WeakPolarHBondContact O-CG 3.26Å; A46-F50 PolarHBondContact O-N 3.14Å; F50-A54 WeakPolarHBondContact O-CB 3.47Å; F50-A54 PolarHBondContact O-N 2.72Å; F50-T70 HydrophobicContact CB-CG2 4.19Å; F50-T70 HydrophobicContact CD1-CG2 4.31Å; F50-L74 HydrophobicContact CB-CD1 4.11Å; F50-L74 HydrophobicContact CB-CD2 4.26Å; F50-I324 HydrophobicContact CE1-CB 4.47Å; F50-I324 HydrophobicContact CZ-CB 4.18Å; F50-I324 HydrophobicContact CZ-CG2 3.83Å; F50-I324 WeakPolarHBondContact CZ-O 3.39Å; F50-I326 HydrophobicContact CD1-CD1 4.48Å; F50-I326 HydrophobicContact CD1-CG1 4.1Å; F50-I326 HydrophobicContact CD1-CG2 4.15Å; F50-I326 HydrophobicContact CD2-CG2 3.77Å; F50-I326 HydrophobicContact CE1-CB 4.2Å; F50-I326 HydrophobicContact CE1-CD1 4.47Å; F50-I326 HydrophobicContact CE1-CG1 3.67Å; F50-I326 HydrophobicContact CE1-CG2 4.23Å; F50-I326 HydrophobicContact CE2-CB 4.19Å; F50-I326 HydrophobicContact CE2-CG2 3.86Å; F50-I326 HydrophobicContact CG-CG2 3.95Å; F50-I326 VanDerWaalsContact CZ-CA 3.48Å; F50-I326 HydrophobicContact CZ-CB 4Å; F50-I326 HydrophobicContact CZ-CG1 3.94Å; F50-I326 HydrophobicContact CZ-CG2 4.09Å
51	L	89	Confident	85.3	Confident	65 Å²	65	56.3 Å²	56.3	34%	0.34	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-46.5	169.4	179	65.1	0	0	0	111.1	F42 N47 V48 F49 A54 L55 L74	F42-L51 HydrophobicContact CD1-CD2 4.22Å; F42-L51 HydrophobicContact CE1-CB 3.96Å; F42-L51 HydrophobicContact CE1-CD2 3.79Å; F42-L51 HydrophobicContact CE1-CG 4.36Å; F42-L51 HydrophobicContact CE2-CD2 4.44Å; F42-L51 HydrophobicContact CZ-CD2 3.91Å; N47-L51 VanDerWaalsContact O-CB 3.3Å; N47-L51 WeakPolarHBondContact O-CB 3.17Å; N47-L51 PolarHBondContact O-N 2.91Å; V48-L51 PolarHBondContact O-N 3.11Å; F49-L51 VanDerWaalsContact C-N 3.35Å; F49-L51 PolarHBondContact O-N 2.69Å; L51-A54 PolarHBondContact O-N 2.9Å; L51-L55 HydrophobicContact CD1-CD1 4.5Å; L51-L55 HydrophobicContact CG-CD1 4.26Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 3.19Å; L51-L74 HydrophobicContact CB-CD2 4.28Å
52	F	89.9	Confident	85.2	Confident	109 Å²	109	56.3 Å²	56.3	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-46.4	177.3	176.5	-107	0	0	0	111.9	V48 F49 L55 L56	V48-F52 WeakPolarHBondContact O-CB 3.11Å; V48-F52 PolarHBondContact O-N 3.25Å; F49-F52 WeakPolarHBondContact O-CB 3.41Å; F49-F52 PolarHBondContact O-N 3.4Å; F52-L55 PolarHBondContact O-N 3.01Å; F52-L56 HydrophobicContact CD1-CD1 4.11Å; F52-L56 HydrophobicContact CE1-CD1 3.54Å; F52-L56 HydrophobicContact CE1-CG 4.26Å; F52-L56 HydrophobicContact CE2-CD1 4.49Å; F52-L56 HydrophobicContact CE2-CG 4.44Å; F52-L56 HydrophobicContact CZ-CD1 3.76Å; F52-L56 HydrophobicContact CZ-CD2 4.38Å; F52-L56 HydrophobicContact CZ-CG 4.17Å; F52-L56 WeakPolarHBondContact O-CG 3.22Å; F52-L56 PolarHBondContact O-N 3.3Å
53	I	89.2	Confident	85.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-38.8	175.5	-59	-66.3	0	0	0	111.7	F49 L55 L56 Q57 I317 N321	F49-I53 HydrophobicContact CD2-CG1 4.2Å; F49-I53 HydrophobicContact CE1-CG1 4.11Å; F49-I53 HydrophobicContact CE2-CD1 3.9Å; F49-I53 HydrophobicContact CE2-CG1 3.78Å; F49-I53 HydrophobicContact CZ-CD1 4.07Å; F49-I53 HydrophobicContact CZ-CG1 3.73Å; F49-I53 WeakPolarHBondContact O-CG1 3.46Å; F49-I53 PolarHBondContact O-N 3.3Å; I53-L55 VanDerWaalsContact C-N 3.27Å; I53-L55 PolarHBondContact O-N 3.45Å; I53-L56 HydrophobicContact CD1-CD1 4.38Å; I53-L56 PolarHBondContact O-N 3.24Å; I53-Q57 HydrophobicContact CG2-CG 4.38Å; I53-Q57 WeakPolarHBondContact O-CB 3.36Å; I53-Q57 WeakPolarHBondContact O-CG 3.3Å; I53-Q57 PolarHBondContact O-N 3.09Å; I53-I317 HydrophobicContact CD1-CG2 3.53Å; I53-N321 HydrophobicContact CD1-CB 4.29Å; I53-N321 HydrophobicContact CG1-CB 4.14Å; I53-N321 HydrophobicContact CG2-CB 3.83Å; I53-N321 WeakPolarHBondContact CG2-ND2 3.4Å
54	A	88.3	Confident	84.6	Confident	9 Å²	9	50.2 Å²	50.2	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-32.5	175.5	0	0	0	0	0	112.4	F50 L51 Q58 T70 A71	F50-A54 WeakPolarHBondContact O-CB 3.47Å; F50-A54 PolarHBondContact O-N 2.72Å; L51-A54 PolarHBondContact O-N 2.9Å; A54-Q58 WeakPolarHBondContact O-CG 3.49Å; A54-Q58 PolarHBondContact O-NE2 3.11Å; A54-T70 HydrophobicContact CB-CG2 4.37Å; A54-A71 HydrophobicContact CB-CB 4.28Å
55	L	91	Very high	84.5	Confident	111 Å²	111	47.7 Å²	47.7	58%	0.581	25%	0.245	S	C	*	.	H	α-helix	trans	-71.7	-45.1	171.8	-69.8	168.8	0	0	0	111.8	L51 F52 I53 Q57 Q58	L51-L55 HydrophobicContact CD1-CD1 4.5Å; L51-L55 HydrophobicContact CG-CD1 4.26Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 3.19Å; F52-L55 PolarHBondContact O-N 3.01Å; I53-L55 VanDerWaalsContact C-N 3.27Å; I53-L55 PolarHBondContact O-N 3.45Å; L55-Q57 VanDerWaalsContact C-N 3.25Å; L55-Q57 PolarHBondContact O-N 2.92Å; L55-Q58 WeakPolarHBondContact O-CB 3.41Å; L55-Q58 PolarHBondContact O-N 2.86Å
56	L	89.7	Confident	84.4	Confident	20 Å²	20	40.2 Å²	40.2	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-35.9	173.8	-70.2	-176.7	0	0	0	112.3	F52 I53 Q58 I59 L314 I317 I318	F52-L56 HydrophobicContact CD1-CD1 4.11Å; F52-L56 HydrophobicContact CE1-CD1 3.54Å; F52-L56 HydrophobicContact CE1-CG 4.26Å; F52-L56 HydrophobicContact CE2-CD1 4.49Å; F52-L56 HydrophobicContact CE2-CG 4.44Å; F52-L56 HydrophobicContact CZ-CD1 3.76Å; F52-L56 HydrophobicContact CZ-CD2 4.38Å; F52-L56 HydrophobicContact CZ-CG 4.17Å; F52-L56 WeakPolarHBondContact O-CG 3.22Å; F52-L56 PolarHBondContact O-N 3.3Å; I53-L56 HydrophobicContact CD1-CD1 4.38Å; I53-L56 PolarHBondContact O-N 3.24Å; L56-Q58 PolarHBondContact O-N 3.46Å; L56-Q58 VanDerWaalsContact O-N 3.15Å; L56-I59 HydrophobicContact CD2-CD1 3.79Å; L56-I59 WeakPolarHBondContact O-CB 3.33Å; L56-I59 WeakPolarHBondContact O-CG1 3.19Å; L56-I59 PolarHBondContact O-N 3.46Å; L56-I59 VanDerWaalsContact O-N 3.12Å; L56-L314 HydrophobicContact CD1-CD2 4.01Å; L56-L314 HydrophobicContact CD2-CD2 4.09Å; L56-I317 HydrophobicContact CD1-CG2 4.26Å; L56-I318 HydrophobicContact CB-CD1 4.09Å; L56-I318 HydrophobicContact CB-CG1 4.31Å
57	Q	89.2	Confident	84.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.6	174.2	-80.4	-173.8	-12.7	0	0	114.2	I53 L55 T65 R67 T69 T70 I318	I53-Q57 HydrophobicContact CG2-CG 4.38Å; I53-Q57 WeakPolarHBondContact O-CB 3.36Å; I53-Q57 WeakPolarHBondContact O-CG 3.3Å; I53-Q57 PolarHBondContact O-N 3.09Å; L55-Q57 VanDerWaalsContact C-N 3.25Å; L55-Q57 PolarHBondContact O-N 2.92Å; Q57-T65 PolarHBondContact NE2-OG1 2.63Å; Q57-R67 WeakPolarHBondContact O-CA 3.47Å; Q57-R67 WeakPolarHBondContact O-CG 3.27Å; Q57-T69 PolarHBondContact NE2-OG1 2.58Å; Q57-T69 PolarHBondContact OE1-OG1 2.86Å; Q57-T70 PolarHBondContact NE2-OG1 3.23Å; Q57-T70 VanDerWaalsContact OE1-CB 3.23Å; Q57-T70 PolarHBondContact OE1-OG1 2.89Å; Q57-I318 HydrophobicContact CG-CD1 4.11Å; Q57-I318 HydrophobicContact CG-CG1 4.42Å; Q57-I318 HydrophobicContact CG-CG2 3.69Å
58	Q	90.5	Very high	84.6	Confident	76 Å²	76	53 Å²	53	36%	0.355	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14	173.8	-51.9	-41.8	-57	0	0	113.5	A54 L55 L56 R67	A54-Q58 WeakPolarHBondContact O-CG 3.49Å; A54-Q58 PolarHBondContact O-NE2 3.11Å; L55-Q58 WeakPolarHBondContact O-CB 3.41Å; L55-Q58 PolarHBondContact O-N 2.86Å; L56-Q58 PolarHBondContact O-N 3.46Å; L56-Q58 VanDerWaalsContact O-N 3.15Å; Q58-R67 PolarHBondContact NE2-O 3.48Å
59	I	87.3	Confident	84.1	Confident	59 Å²	59	51.1 Å²	51.1	30%	0.303	26%	0.259	S	S	.	.	S	Bend	trans	-66.5	127.8	177.3	-54.7	173.9	0	0	0	108.2	L56 V62	L56-I59 HydrophobicContact CD2-CD1 3.79Å; L56-I59 WeakPolarHBondContact O-CB 3.33Å; L56-I59 WeakPolarHBondContact O-CG1 3.19Å; L56-I59 PolarHBondContact O-N 3.46Å; L56-I59 VanDerWaalsContact O-N 3.12Å; I59-V62 HydrophobicContact CB-CB 4.36Å; I59-V62 HydrophobicContact CB-CG2 4.09Å; I59-V62 HydrophobicContact CG2-CB 4.4Å; I59-V62 HydrophobicContact CG2-CG2 3.62Å
60	P	82	Confident	83.8	Confident	70 Å²	70	50.3 Å²	50.3	46%	0.455	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	145.8	177.7	25.9	-34.4	0	0	0	110.9	V62	P60-V62 PolarHBondContact O-N 2.81Å
61	D	76.6	Confident	83.7	Confident	140 Å²	140	51.4 Å²	51.4	75%	0.749	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	8.1	170.9	-43.6	-35.6	0	0	0	116.7
62	V	81.9	Confident	83.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.018	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-35.2	173.4	-177.5	0	0	0	0	112.8	I59 P60 P64 Y311 L314 T315 I318	I59-V62 HydrophobicContact CB-CB 4.36Å; I59-V62 HydrophobicContact CB-CG2 4.09Å; I59-V62 HydrophobicContact CG2-CB 4.4Å; I59-V62 HydrophobicContact CG2-CG2 3.62Å; P60-V62 PolarHBondContact O-N 2.81Å; V62-P64 VanDerWaalsContact O-CD 3.24Å; V62-P64 WeakPolarHBondContact O-CD 2.96Å; V62-Y311 HydrophobicContact CG2-CD1 3.59Å; V62-Y311 HydrophobicContact CG2-CE1 3.87Å; V62-L314 HydrophobicContact CG1-CB 3.52Å; V62-T315 PolarHBondContact O-OG1 2.73Å; V62-I318 HydrophobicContact CG1-CD1 3.85Å
63	S	81.5	Confident	82.8	Confident	28 Å²	28	47.4 Å²	47.4	20%	0.196	25%	0.253	C	S	.	.			trans	-81.3	114.4	-171.1	74.9	0	0	0	0	112.9
64	P	70.9	Confident	82.5	Confident	35 Å²	35	47.9 Å²	47.9	23%	0.227	26%	0.255	C	S	.	.	S	Bend	trans	-79.6	-30.8	179.1	32.5	-34	0	0	0	112.2	V62 T315 L319 T859	V62-P64 VanDerWaalsContact O-CD 3.24Å; V62-P64 WeakPolarHBondContact O-CD 2.96Å; P64-T315 HydrophobicContact CB-CG2 4.36Å; P64-T315 HydrophobicContact CG-CG2 4.09Å; P64-L319 HydrophobicContact CG-CB 4.29Å; P64-L319 HydrophobicContact CG-CD1 4.07Å; P64-T859 HydrophobicContact CB-CG2 4.23Å
65	T	73.1	Confident	82.4	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.025	28%	0.28	C	S	.	.	S	Bend	trans	-82.9	-25.2	178.4	59.3	0	0	0	0	113.4	Q57 T69 T859 R863 I866	Q57-T65 PolarHBondContact NE2-OG1 2.63Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact OG1-OG1 2.9Å; T65-T859 HydrophobicContact CG2-CG2 4.2Å; T65-R863 WeakPolarHBondContact O-CB 3.44Å; T65-R863 VanDerWaalsContact O-CG 3.32Å; T65-R863 WeakPolarHBondContact O-CG 3.33Å; T65-I866 HydrophobicContact CG2-CD1 4.01Å
66	G	77.7	Confident	82	Confident	19 Å²	19	51 Å²	51	20%	0.196	28%	0.275	C	S	.	.			trans	102.8	149.8	-178.9	0	0	0	0	0	115	Y68 T69	G66-Y68 VanDerWaalsContact C-N 3.29Å; G66-Y68 PolarHBondContact O-N 3.29Å; G66-T69 WeakPolarHBondContact O-CG2 3.49Å; G66-T69 PolarHBondContact O-N 3.09Å; G66-T69 VanDerWaalsContact O-N 3.13Å; G66-T69 PolarHBondContact O-OG1 3.17Å
67	R	83.9	Confident	81.5	Confident	122 Å²	122	51 Å²	51	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.7	-161.3	-54.7	-168.2	180	160.7	2	117.1	Q57 Q58	Q57-R67 WeakPolarHBondContact O-CA 3.47Å; Q57-R67 WeakPolarHBondContact O-CG 3.27Å; Q58-R67 PolarHBondContact NE2-O 3.48Å
68	Y	82.7	Confident	81.3	Confident	153 Å²	153	52.2 Å²	52.2	60%	0.6	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.3	-174.5	-60	-59.4	0	0	0	114.2	G66 T70 A71 V72	G66-Y68 VanDerWaalsContact C-N 3.29Å; G66-Y68 PolarHBondContact O-N 3.29Å; Y68-T70 PolarHBondContact O-N 3.38Å; Y68-A71 PolarHBondContact O-N 3.27Å; Y68-V72 PolarHBondContact O-N 3.49Å
69	T	77.3	Confident	81.2	Confident	28 Å²	28	51.2 Å²	51.2	17%	0.172	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.9	-170.6	51.6	0	0	0	0	114.5	Q57 T65 G66 P73	Q57-T69 PolarHBondContact NE2-OG1 2.58Å; Q57-T69 PolarHBondContact OE1-OG1 2.86Å; T65-T69 WeakPolarHBondContact O-CG2 3.48Å; T65-T69 PolarHBondContact OG1-OG1 2.9Å; G66-T69 WeakPolarHBondContact O-CG2 3.49Å; G66-T69 PolarHBondContact O-N 3.09Å; G66-T69 VanDerWaalsContact O-N 3.13Å; G66-T69 PolarHBondContact O-OG1 3.17Å; T69-P73 WeakPolarHBondContact O-CD 3.18Å; T69-P73 VanDerWaalsContact O-CG 3.3Å; T69-P73 WeakPolarHBondContact O-CG 3.34Å
70	T	81.4	Confident	80.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-33.8	171.5	-54.2	0	0	0	0	111.8	F50 A54 Q57 Y68 P73 L74 N321 I326	F50-T70 HydrophobicContact CB-CG2 4.19Å; F50-T70 HydrophobicContact CD1-CG2 4.31Å; A54-T70 HydrophobicContact CB-CG2 4.37Å; Q57-T70 PolarHBondContact NE2-OG1 3.23Å; Q57-T70 VanDerWaalsContact OE1-CB 3.23Å; Q57-T70 PolarHBondContact OE1-OG1 2.89Å; Y68-T70 PolarHBondContact O-N 3.38Å; T70-P73 WeakPolarHBondContact O-CD 3.43Å; T70-L74 VanDerWaalsContact O-CB 3.31Å; T70-L74 WeakPolarHBondContact O-CB 3.46Å; T70-L74 PolarHBondContact O-N 3.29Å; T70-N321 PolarHBondContact OG1-ND2 2.83Å; T70-I326 HydrophobicContact CG2-CD1 4.33Å
71	A	83.7	Confident	80.8	Confident	28 Å²	28	48.7 Å²	48.7	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41.9	-175.5	0	0	0	0	0	113.5	A54 Y68 L74 L75	A54-A71 HydrophobicContact CB-CB 4.28Å; Y68-A71 PolarHBondContact O-N 3.27Å; A71-L74 PolarHBondContact O-N 3.2Å; A71-L75 WeakPolarHBondContact O-CB 3.25Å; A71-L75 PolarHBondContact O-N 3.06Å
72	V	82.9	Confident	81.3	Confident	69 Å²	69	42.8 Å²	42.8	42%	0.418	24%	0.239	S	C	.	.	H	α-helix	trans	-68	-50.5	180	169.8	0	0	0	0	111.8	Y68 L74 L75 C76	Y68-V72 PolarHBondContact O-N 3.49Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.44Å; V72-L75 PolarHBondContact O-N 3.5Å; V72-C76 PolarHBondContact O-N 3.01Å; V72-C76 PolarHBondContact O-SG 3.03Å; V72-C76 VanDerWaalsContact O-SG 3.34Å
73	P	77.5	Confident	81.5	Confident	21 Å²	21	47.4 Å²	47.4	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-42.5	172.2	-28.5	36.7	0	0	0	113.5	T69 T70 L75 C76 I77 I326	T69-P73 WeakPolarHBondContact O-CD 3.18Å; T69-P73 VanDerWaalsContact O-CG 3.3Å; T69-P73 WeakPolarHBondContact O-CG 3.34Å; T70-P73 WeakPolarHBondContact O-CD 3.43Å; P73-L75 PolarHBondContact O-N 3.45Å; P73-C76 PolarHBondContact O-N 3.17Å; P73-I77 WeakPolarHBondContact O-CB 3.38Å; P73-I77 WeakPolarHBondContact O-CD1 3.33Å; P73-I77 WeakPolarHBondContact O-CG1 3.43Å; P73-I77 PolarHBondContact O-N 2.94Å; P73-I326 HydrophobicContact CB-CD1 4.47Å
74	L	83.4	Confident	81.4	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-42	177.9	-179.1	61.4	0	0	0	112.1	F50 L51 T70 A71 V72 I77 L78	F50-L74 HydrophobicContact CB-CD1 4.11Å; F50-L74 HydrophobicContact CB-CD2 4.26Å; L51-L74 HydrophobicContact CB-CD2 4.28Å; T70-L74 VanDerWaalsContact O-CB 3.31Å; T70-L74 WeakPolarHBondContact O-CB 3.46Å; T70-L74 PolarHBondContact O-N 3.29Å; A71-L74 PolarHBondContact O-N 3.2Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.44Å; L74-I77 PolarHBondContact O-N 3.11Å; L74-L78 HydrophobicContact CD1-CD1 4.25Å; L74-L78 HydrophobicContact CD1-CG 4.37Å; L74-L78 HydrophobicContact CG-CD1 4.16Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.14Å
75	L	86.1	Confident	81.8	Confident	114 Å²	114	46.9 Å²	46.9	60%	0.597	25%	0.254	S	S	*	.	H	α-helix	trans	-65.4	-45.4	176.5	-172.5	150.6	0	0	0	111.3	A71 V72 P73 I77 L78 S79	A71-L75 WeakPolarHBondContact O-CB 3.25Å; A71-L75 PolarHBondContact O-N 3.06Å; V72-L75 PolarHBondContact O-N 3.5Å; P73-L75 PolarHBondContact O-N 3.45Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.43Å; L75-L78 PolarHBondContact O-N 2.9Å; L75-S79 WeakPolarHBondContact O-CB 3.46Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 3.14Å; L75-S79 VanDerWaalsContact O-OG 3.04Å
76	C	82.3	Confident	82.3	Confident	70 Å²	70	50.8 Å²	50.8	47%	0.473	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-42.6	174.9	-66	0	0	0	0	112.1	V72 P73 S79 V80	V72-C76 PolarHBondContact O-N 3.01Å; V72-C76 PolarHBondContact O-SG 3.03Å; V72-C76 VanDerWaalsContact O-SG 3.34Å; P73-C76 PolarHBondContact O-N 3.17Å; C76-S79 PolarHBondContact O-N 2.84Å; C76-V80 WeakPolarHBondContact O-CG2 3.42Å; C76-V80 PolarHBondContact O-N 2.87Å
77	I	80.1	Confident	82.6	Confident	20 Å²	20	53.8 Å²	53.8	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-51.8	175.7	-77.9	165.6	0	0	0	110.8	P73 L74 L75 S79 V80 S81 I326 V330	P73-I77 WeakPolarHBondContact O-CB 3.38Å; P73-I77 WeakPolarHBondContact O-CD1 3.33Å; P73-I77 WeakPolarHBondContact O-CG1 3.43Å; P73-I77 PolarHBondContact O-N 2.94Å; L74-I77 PolarHBondContact O-N 3.11Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.43Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 2.94Å; I77-V80 PolarHBondContact O-N 3.43Å; I77-S81 PolarHBondContact O-N 2.9Å; I77-S81 PolarHBondContact O-OG 3.41Å; I77-I326 HydrophobicContact CD1-CB 4.37Å; I77-I326 HydrophobicContact CD1-CG2 3.54Å; I77-I326 WeakPolarHBondContact CD1-O 3.23Å; I77-V330 HydrophobicContact CB-CG2 3.95Å; I77-V330 HydrophobicContact CG1-CG2 3.74Å; I77-V330 HydrophobicContact CG2-CG2 3.57Å
78	L	84.9	Confident	81.9	Confident	27 Å²	27	50.3 Å²	50.3	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-35.2	178.9	-69.9	170.8	0	0	0	112.1	F37 Q41 F42 L74 L75 A82	F37-L78 WeakPolarHBondContact CZ-O 3.42Å; Q41-L78 HydrophobicContact CB-CD2 3.9Å; Q41-L78 HydrophobicContact CG-CD2 4.1Å; F42-L78 HydrophobicContact CZ-CD1 4.12Å; L74-L78 HydrophobicContact CD1-CD1 4.25Å; L74-L78 HydrophobicContact CD1-CG 4.37Å; L74-L78 HydrophobicContact CG-CD1 4.16Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 3.14Å; L75-L78 PolarHBondContact O-N 2.9Å; L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.34Å; L78-A82 PolarHBondContact O-N 3Å
79	S	87.2	Confident	81.5	Confident	55 Å²	55	43.4 Å²	43.4	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-42.2	174.1	-62.9	0	0	0	0	112.9	L75 C76 I77 A82 I83	L75-S79 WeakPolarHBondContact O-CB 3.46Å; L75-S79 PolarHBondContact O-N 3.21Å; L75-S79 PolarHBondContact O-OG 3.14Å; L75-S79 VanDerWaalsContact O-OG 3.04Å; C76-S79 PolarHBondContact O-N 2.84Å; I77-S79 VanDerWaalsContact C-N 3.31Å; I77-S79 PolarHBondContact O-N 2.94Å; S79-A82 PolarHBondContact O-N 2.93Å; S79-I83 VanDerWaalsContact O-CG1 3.29Å; S79-I83 WeakPolarHBondContact O-CG1 3.29Å; S79-I83 PolarHBondContact O-N 2.85Å
80	V	82.8	Confident	81.7	Confident	72 Å²	72	48.7 Å²	48.7	44%	0.436	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-46.1	176.5	170.3	0	0	0	0	110.8	C76 I77 A82 I83 K84 V330	C76-V80 WeakPolarHBondContact O-CG2 3.42Å; C76-V80 PolarHBondContact O-N 2.87Å; I77-V80 PolarHBondContact O-N 3.43Å; V80-A82 VanDerWaalsContact C-N 3.31Å; V80-A82 PolarHBondContact O-N 2.9Å; V80-I83 PolarHBondContact O-N 3.31Å; V80-K84 PolarHBondContact O-N 2.8Å; V80-K84 VanDerWaalsContact O-N 3.13Å; V80-V330 HydrophobicContact CG1-CG1 4.17Å
81	S	79.3	Confident	81.3	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-31.7	176.1	-57.5	0	0	0	0	112.5	I77 E85 E333	I77-S81 PolarHBondContact O-N 2.9Å; I77-S81 PolarHBondContact O-OG 3.41Å; S81-E85 PolarHBondContact O-N 2.84Å; S81-E333 PolarHBondContact OG-OE2 3.27Å
82	A	86.2	Confident	80.5	Confident	16 Å²	16	57 Å²	57	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-44.7	174.1	0	0	0	0	0	112.1	F33 F37 L78 S79 V80 K84 E85 I86	F33-A82 HydrophobicContact CZ-CB 4.35Å; F37-A82 HydrophobicContact CD1-CB 4.49Å; F37-A82 HydrophobicContact CE1-CB 3.81Å; F37-A82 HydrophobicContact CE2-CB 4.05Å; F37-A82 VanDerWaalsContact CZ-CA 3.46Å; F37-A82 HydrophobicContact CZ-CB 3.56Å; L78-A82 VanDerWaalsContact O-CB 3.25Å; L78-A82 WeakPolarHBondContact O-CB 3.34Å; L78-A82 PolarHBondContact O-N 3Å; S79-A82 PolarHBondContact O-N 2.93Å; V80-A82 VanDerWaalsContact C-N 3.31Å; V80-A82 PolarHBondContact O-N 2.9Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 2.69Å; A82-E85 PolarHBondContact O-N 2.84Å; A82-I86 WeakPolarHBondContact O-CB 3.37Å; A82-I86 WeakPolarHBondContact O-CD1 3.41Å; A82-I86 VanDerWaalsContact O-CG1 3.23Å; A82-I86 WeakPolarHBondContact O-CG1 3.41Å; A82-I86 PolarHBondContact O-N 3.27Å
83	I	87.1	Confident	80.1	Confident	100 Å²	100	56.8 Å²	56.8	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-40.6	176.4	-69.6	162.9	0	0	0	110.6	S79 V80 I86 I87	S79-I83 VanDerWaalsContact O-CG1 3.29Å; S79-I83 WeakPolarHBondContact O-CG1 3.29Å; S79-I83 PolarHBondContact O-N 2.85Å; V80-I83 PolarHBondContact O-N 3.31Å; I83-I86 PolarHBondContact O-N 3.49Å; I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 WeakPolarHBondContact O-CD1 3.45Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.17Å; I83-I87 PolarHBondContact O-N 2.93Å; I83-I87 VanDerWaalsContact O-N 3.09Å
84	K	78.6	Confident	80.2	Confident	33 Å²	33	60 Å²	60	14%	0.143	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-56	174.2	-178.9	-173.3	170.2	-179.6	0	111.9	V80 A82 I86 I87 E88 S363	V80-K84 PolarHBondContact O-N 2.8Å; V80-K84 VanDerWaalsContact O-N 3.13Å; A82-K84 VanDerWaalsContact C-N 3.28Å; A82-K84 PolarHBondContact O-N 2.69Å; K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 2.84Å; K84-I87 PolarHBondContact O-N 2.82Å; K84-I87 VanDerWaalsContact O-N 3.13Å; K84-E88 WeakPolarHBondContact CE-OE1 3.29Å; K84-E88 IonicContact NZ-OE1 3.59Å; K84-E88 PolarHBondContact O-N 2.87Å; K84-S363 PolarHBondContact NZ-OG 3.25Å
85	E	78.6	Confident	79.4	Confident	20 Å²	20	62 Å²	62	9%	0.093	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-36.3	-178.4	-72	-76.9	161.2	0	0	112.1	K27 Y28 F33 F37 S81 A82 E88 D89	K27-E85 IonicContact NZ-OE1 3.01Å; K27-E85 PolarHBondContact NZ-OE1 2.95Å; K27-E85 IonicContact NZ-OE2 2.74Å; K27-E85 PolarHBondContact NZ-OE2 2.99Å; Y28-E85 HydrophobicContact CE2-CB 4.33Å; Y28-E85 PolarHBondContact OH-OE2 2.99Å; Y28-E85 VanDerWaalsContact OH-OE2 3.14Å; F33-E85 HydrophobicContact CE2-CB 4.34Å; F37-E85 HydrophobicContact CD2-CB 4.3Å; F37-E85 HydrophobicContact CD2-CG 4.1Å; F37-E85 HydrophobicContact CE2-CB 4.46Å; F37-E85 HydrophobicContact CE2-CG 4.11Å; S81-E85 PolarHBondContact O-N 2.84Å; A82-E85 PolarHBondContact O-N 2.84Å; E85-E88 PolarHBondContact O-N 2.97Å; E85-D89 PolarHBondContact O-N 3Å
86	I	85.2	Confident	78.7	Confident	86 Å²	86	57 Å²	57	44%	0.441	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-43.4	174.1	-69.7	164.7	0	0	0	111.3	F33 A82 I83 K84 W90	F33-I86 HydrophobicContact CD2-CG1 4.5Å; F33-I86 HydrophobicContact CE1-CD1 3.98Å; F33-I86 HydrophobicContact CE1-CG1 4.05Å; F33-I86 HydrophobicContact CE2-CD1 4.49Å; F33-I86 HydrophobicContact CE2-CG1 3.71Å; F33-I86 HydrophobicContact CZ-CD1 3.76Å; F33-I86 HydrophobicContact CZ-CG1 3.45Å; F33-I86 VanDerWaalsContact CZ-CG1 3.45Å; A82-I86 WeakPolarHBondContact O-CB 3.37Å; A82-I86 WeakPolarHBondContact O-CD1 3.41Å; A82-I86 VanDerWaalsContact O-CG1 3.23Å; A82-I86 WeakPolarHBondContact O-CG1 3.41Å; A82-I86 PolarHBondContact O-N 3.27Å; I83-I86 PolarHBondContact O-N 3.49Å; K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 2.84Å; I86-W90 WeakPolarHBondContact O-CB 3.36Å; I86-W90 PolarHBondContact O-N 2.96Å
87	I	82.6	Confident	78.6	Confident	82 Å²	82	59.8 Å²	59.8	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-38.1	178.1	-68.7	165	0	0	0	111.1	I83 K84 K91	I83-I87 HydrophobicContact CG2-CD1 3.85Å; I83-I87 WeakPolarHBondContact O-CD1 3.45Å; I83-I87 VanDerWaalsContact O-CG1 3.29Å; I83-I87 WeakPolarHBondContact O-CG1 3.17Å; I83-I87 PolarHBondContact O-N 2.93Å; I83-I87 VanDerWaalsContact O-N 3.09Å; K84-I87 PolarHBondContact O-N 2.82Å; K84-I87 VanDerWaalsContact O-N 3.13Å; I87-K91 WeakPolarHBondContact O-CG 3.17Å; I87-K91 PolarHBondContact O-N 3.05Å
88	E	70.2	Confident	78.6	Confident	48 Å²	48	67 Å²	67	22%	0.224	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-44.4	176.8	-71.4	-174.6	-162.8	0	0	112.3	K84 E85 K91 R92	K84-E88 WeakPolarHBondContact CE-OE1 3.29Å; K84-E88 IonicContact NZ-OE1 3.59Å; K84-E88 PolarHBondContact O-N 2.87Å; E85-E88 PolarHBondContact O-N 2.97Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 3.3Å; E88-R92 PolarHBondContact O-N 2.69Å
89	D	75.2	Confident	78.1	Confident	8 Å²	8	68.5 Å²	68.5	4%	0.043	33%	0.333	C	S	.	.	H	α-helix	trans	-77.5	-28.2	-178.8	-135	39.8	0	0	0	113	A26 K27 Y28 E85 K91 R92 H93	A26-D89 WeakPolarHBondContact CA-OD1 3.38Å; A26-D89 WeakPolarHBondContact CB-OD2 3.31Å; K27-D89 PolarHBondContact N-OD1 3.06Å; K27-D89 PolarHBondContact N-OD2 2.87Å; K27-D89 VanDerWaalsContact N-OD2 3.11Å; Y28-D89 WeakPolarHBondContact CB-OD2 3.45Å; Y28-D89 HydrophobicContact CD2-CB 4.05Å; Y28-D89 VanDerWaalsContact CD2-OD2 3.24Å; Y28-D89 WeakPolarHBondContact CD2-OD2 3.35Å; Y28-D89 PolarHBondContact N-OD2 2.96Å; E85-D89 PolarHBondContact O-N 3Å; D89-K91 VanDerWaalsContact C-N 3.28Å; D89-K91 PolarHBondContact O-N 3.43Å; D89-R92 WeakPolarHBondContact O-CB 3.35Å; D89-R92 PolarHBondContact O-N 3.42Å; D89-R92 VanDerWaalsContact O-N 3.13Å; D89-R92 WeakPolarHBondContact OD1-CD 3.07Å; D89-R92 IonicContact OD1-CZ 2.84Å; D89-R92 IonicContact OD1-NE 2.83Å; D89-R92 IonicContact OD1-NH1 3.78Å; D89-R92 PolarHBondContact OD1-NH1 2.81Å; D89-H93 PolarHBondContact O-N 2.82Å
90	W	79.9	Confident	77.8	Confident	140 Å²	140	66.4 Å²	66.4	53%	0.53	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-37.3	169.2	-178.2	81.9	0	0	0	112.1	I86 H93 Q94	I86-W90 WeakPolarHBondContact O-CB 3.36Å; I86-W90 PolarHBondContact O-N 2.96Å; W90-H93 PolarHBondContact O-N 3.06Å; W90-Q94 WeakPolarHBondContact O-CG 3.48Å; W90-Q94 PolarHBondContact O-N 3.46Å
91	K	74.3	Confident	77.9	Confident	123 Å²	123	70.9 Å²	70.9	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-39	172.3	-71.7	173.9	179.2	-177	0	112	I87 E88 D89 Q94 A95	I87-K91 WeakPolarHBondContact O-CG 3.17Å; I87-K91 PolarHBondContact O-N 3.05Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 3.3Å; D89-K91 VanDerWaalsContact C-N 3.28Å; D89-K91 PolarHBondContact O-N 3.43Å; K91-Q94 WeakPolarHBondContact O-CB 3.44Å; K91-Q94 PolarHBondContact O-N 2.81Å; K91-Q94 VanDerWaalsContact O-N 3.16Å; K91-A95 PolarHBondContact O-N 2.91Å
92	R	67.4	Low	78.1	Confident	79 Å²	79	72.9 Å²	72.9	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-49.2	172	-62.2	-165.8	-173.9	90.6	8.1	110.9	T25 A26 E88 D89 Q94 A95 D96	T25-R92 WeakPolarHBondContact O-CD 3.32Å; A26-R92 HydrophobicContact CB-CB 4.42Å; E88-R92 PolarHBondContact O-N 2.69Å; D89-R92 WeakPolarHBondContact O-CB 3.35Å; D89-R92 PolarHBondContact O-N 3.42Å; D89-R92 VanDerWaalsContact O-N 3.13Å; D89-R92 WeakPolarHBondContact OD1-CD 3.07Å; D89-R92 IonicContact OD1-CZ 2.84Å; D89-R92 IonicContact OD1-NE 2.83Å; D89-R92 IonicContact OD1-NH1 3.78Å; D89-R92 PolarHBondContact OD1-NH1 2.81Å; R92-Q94 PolarHBondContact O-N 3.43Å; R92-Q94 VanDerWaalsContact O-N 3.13Å; R92-A95 WeakPolarHBondContact O-CA 3.4Å; R92-A95 WeakPolarHBondContact O-CB 3.42Å; R92-A95 PolarHBondContact O-N 3.43Å; R92-D96 VanDerWaalsContact O-CG 3.26Å; R92-D96 PolarHBondContact O-N 2.81Å
93	H	74	Confident	78.3	Confident	66 Å²	66	77 Å²	77	31%	0.306	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-21.7	173.9	-79.1	-36.2	0	0	0	114.5	A26 D89 W90 D96 R97	A26-H93 WeakPolarHBondContact CB-CE1 3.39Å; A26-H93 WeakPolarHBondContact CB-ND1 3.45Å; D89-H93 PolarHBondContact O-N 2.82Å; W90-H93 PolarHBondContact O-N 3.06Å; H93-D96 IonicContact ND1-OD2 2.77Å; H93-R97 WeakPolarHBondContact O-CB 3.49Å; H93-R97 WeakPolarHBondContact O-CG 3.48Å; H93-R97 PolarHBondContact O-N 2.61Å; H93-R97 PolarHBondContact O-NE 3.36Å; H93-R97 PolarHBondContact O-NH2 2.89Å
94	Q	78.7	Confident	78.5	Confident	88 Å²	88	72.4 Å²	72.4	41%	0.411	33%	0.333	S	S	.	.	H	α-helix	trans	-77	-43.2	169.3	-75.9	-176.4	-34.9	0	0	111.8	W90 K91 R92 R97 K98	W90-Q94 WeakPolarHBondContact O-CG 3.48Å; W90-Q94 PolarHBondContact O-N 3.46Å; K91-Q94 WeakPolarHBondContact O-CB 3.44Å; K91-Q94 PolarHBondContact O-N 2.81Å; K91-Q94 VanDerWaalsContact O-N 3.16Å; R92-Q94 PolarHBondContact O-N 3.43Å; R92-Q94 VanDerWaalsContact O-N 3.13Å; Q94-R97 PolarHBondContact O-N 3.28Å; Q94-K98 PolarHBondContact O-N 3.08Å
95	A	67.7	Low	79.2	Confident	51 Å²	51	73.3 Å²	73.3	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-48	174.6	0	0	0	0	0	111.6	K91 R92 R97 K98 T99	K91-A95 PolarHBondContact O-N 2.91Å; R92-A95 WeakPolarHBondContact O-CA 3.4Å; R92-A95 WeakPolarHBondContact O-CB 3.42Å; R92-A95 PolarHBondContact O-N 3.43Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.4Å; A95-K98 WeakPolarHBondContact O-CB 3.28Å; A95-K98 PolarHBondContact O-N 3.41Å; A95-T99 PolarHBondContact O-N 2.87Å; A95-T99 PolarHBondContact O-OG1 3Å
96	D	70.8	Confident	79.8	Confident	11 Å²	11	72.3 Å²	72.3	6%	0.059	33%	0.332	C	S	.	.	H	α-helix	trans	-51.6	-49.7	173.4	-66	-16.2	0	0	0	110.8	L23 T25 R92 H93 K98 T99 N100	L23-D96 WeakPolarHBondContact O-CB 3.3Å; L23-D96 VanDerWaalsContact O-CG 3.29Å; T25-D96 VanDerWaalsContact CB-OD1 3.29Å; T25-D96 WeakPolarHBondContact CB-OD1 3.49Å; T25-D96 WeakPolarHBondContact CG2-OD1 3.26Å; T25-D96 VanDerWaalsContact N-CG 3.34Å; T25-D96 PolarHBondContact N-OD1 3.35Å; T25-D96 PolarHBondContact N-OD2 2.97Å; T25-D96 PolarHBondContact OG1-OD1 2.77Å; R92-D96 VanDerWaalsContact O-CG 3.26Å; R92-D96 PolarHBondContact O-N 2.81Å; H93-D96 IonicContact ND1-OD2 2.77Å; D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.23Å; D96-T99 PolarHBondContact O-N 3.15Å; D96-N100 VanDerWaalsContact O-CB 3.25Å; D96-N100 WeakPolarHBondContact O-CB 3.17Å; D96-N100 PolarHBondContact O-N 2.7Å; D96-N100 PolarHBondContact O-ND2 3.46Å
97	R	80.9	Confident	80.1	Confident	128 Å²	128	69.1 Å²	69.1	48%	0.483	32%	0.316	S	S	.	.	H	α-helix	trans	-69.2	-25.2	179.2	-79.9	179.2	-71.8	-175.7	-2.9	113.8	H93 Q94 A95 R101	H93-R97 WeakPolarHBondContact O-CB 3.49Å; H93-R97 WeakPolarHBondContact O-CG 3.48Å; H93-R97 PolarHBondContact O-N 2.61Å; H93-R97 PolarHBondContact O-NE 3.36Å; H93-R97 PolarHBondContact O-NH2 2.89Å; Q94-R97 PolarHBondContact O-N 3.28Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.4Å; R97-R101 VanDerWaalsContact O-CB 3.26Å; R97-R101 WeakPolarHBondContact O-CB 3.29Å; R97-R101 WeakPolarHBondContact O-CD 3.35Å; R97-R101 WeakPolarHBondContact O-CG 3.3Å; R97-R101 PolarHBondContact O-N 2.87Å
98	K	79.6	Confident	80.3	Confident	171 Å²	171	68.9 Å²	68.9	74%	0.743	31%	0.31	S	S	*	.	H	α-helix	trans	-69.6	-50.3	170.8	-171.1	-178	178.9	-175.1	0	110	Q94 A95 D96 R101 S102	Q94-K98 PolarHBondContact O-N 3.08Å; A95-K98 WeakPolarHBondContact O-CB 3.28Å; A95-K98 PolarHBondContact O-N 3.41Å; D96-K98 VanDerWaalsContact C-N 3.33Å; D96-K98 PolarHBondContact O-N 3.23Å; K98-R101 CarbonylContact O-C 3.51Å; K98-R101 PolarHBondContact O-N 3.14Å; K98-S102 PolarHBondContact O-N 3.48Å
99	T	73.5	Confident	80.8	Confident	59 Å²	59	72.1 Å²	72.1	36%	0.362	34%	0.336	S	S	.	.	H	α-helix	trans	-67.7	-42.7	-178.4	-59.4	0	0	0	0	112.9	A95 D96 R101 S102 W117	A95-T99 PolarHBondContact O-N 2.87Å; A95-T99 PolarHBondContact O-OG1 3Å; D96-T99 PolarHBondContact O-N 3.15Å; T99-R101 PolarHBondContact O-N 2.76Å; T99-S102 WeakPolarHBondContact O-CB 3.29Å; T99-S102 PolarHBondContact O-N 3.2Å; T99-S102 VanDerWaalsContact O-N 3.16Å; T99-S102 PolarHBondContact O-OG 3.45Å; T99-W117 HydrophobicContact CG2-CE3 4.32Å; T99-W117 HydrophobicContact CG2-CZ3 4.27Å
100	N	80.7	Confident	81.1	Confident	11 Å²	11	72.2 Å²	72.2	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-66.6	-23.8	178.2	-67.7	-32.9	0	0	0	112.2	L23 D96 W117 Q118	L23-N100 PolarHBondContact N-ND2 3.42Å; L23-N100 PolarHBondContact N-OD1 3.27Å; L23-N100 VanDerWaalsContact N-OD1 3.14Å; L23-N100 PolarHBondContact O-ND2 2.92Å; D96-N100 VanDerWaalsContact O-CB 3.25Å; D96-N100 WeakPolarHBondContact O-CB 3.17Å; D96-N100 PolarHBondContact O-N 2.7Å; D96-N100 PolarHBondContact O-ND2 3.46Å; N100-W117 PolarHBondContact O-N 3.14Å; N100-Q118 HydrophobicContact CB-CB 4.35Å; N100-Q118 WeakPolarHBondContact O-CG 3.42Å; N100-Q118 PolarHBondContact O-N 2.8Å
101	R	85.1	Confident	81.4	Confident	165 Å²	165	70.6 Å²	70.6	62%	0.623	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	10	175.4	-68	178.4	171	-165.6	-5.9	114.3	R97 K98 T99 Y116	R97-R101 VanDerWaalsContact O-CB 3.26Å; R97-R101 WeakPolarHBondContact O-CB 3.29Å; R97-R101 WeakPolarHBondContact O-CD 3.35Å; R97-R101 WeakPolarHBondContact O-CG 3.3Å; R97-R101 PolarHBondContact O-N 2.87Å; K98-R101 CarbonylContact O-C 3.51Å; K98-R101 PolarHBondContact O-N 3.14Å; T99-R101 PolarHBondContact O-N 2.76Å; R101-Y116 HydrophobicContact CB-CD1 4.23Å; R101-Y116 HydrophobicContact CB-CE1 4.42Å; R101-Y116 WeakPolarHBondContact O-CD1 3.24Å
102	S	84.1	Confident	82.1	Confident	45 Å²	45	67.2 Å²	67.2	32%	0.315	33%	0.325	S	S	.	.			trans	-57.2	147	160.5	-66.1	0	0	0	0	109.7	K98 T99 Y116 W117	K98-S102 PolarHBondContact O-N 3.48Å; T99-S102 WeakPolarHBondContact O-CB 3.29Å; T99-S102 PolarHBondContact O-N 3.2Å; T99-S102 VanDerWaalsContact O-N 3.16Å; T99-S102 PolarHBondContact O-OG 3.45Å; S102-Y116 CarbonylContact O-C 3.59Å; S102-Y116 WeakPolarHBondContact O-CA 3.43Å; S102-W117 VanDerWaalsContact C-CD1 3.46Å; S102-W117 VanDerWaalsContact CB-CE2 3.48Å; S102-W117 PolarHBondContact O-N 2.84Å
103	K	90.8	Very high	83.2	Confident	103 Å²	103	66.2 Å²	66.2	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	160.2	177.6	-65.3	-173	-179.5	-176.6	0	111.8	E114 E115 Y116 W117	K103-E114 HydrophobicContact CD-CB 4.3Å; K103-E114 HydrophobicContact CD-CG 4.34Å; K103-E114 VanDerWaalsContact CD-OE1 3.29Å; K103-E114 WeakPolarHBondContact CD-OE1 3.43Å; K103-E114 IonicContact NZ-OE1 2.65Å; K103-E114 PolarHBondContact NZ-OE1 3.31Å; K103-E114 VanDerWaalsContact NZ-OE1 3.1Å; K103-E114 IonicContact NZ-OE2 3.27Å; K103-E114 PolarHBondContact NZ-OE2 2.95Å; K103-E115 CarbonylContact C-O 3.51Å; K103-E115 VanDerWaalsContact CA-O 3.29Å; K103-E115 WeakPolarHBondContact CA-O 3.43Å; K103-Y116 HydrophobicContact CG-CD1 4.43Å; K103-Y116 HydrophobicContact CG-CE1 4.4Å; K103-W117 PolarHBondContact O-NE1 3.41Å
104	V	91	Very high	84.1	Confident	4 Å²	4	68 Å²	68	2%	0.024	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.6	159.8	73.5	0	0	0	0	108.9	V106 E115 I120 V126 V128 P135	V104-V106 HydrophobicContact CG1-CG2 3.84Å; V104-E115 PolarHBondContact N-O 2.86Å; V104-E115 PolarHBondContact O-N 2.88Å; V104-I120 HydrophobicContact CG1-CD1 3.52Å; V104-I120 HydrophobicContact CG1-CG1 4.09Å; V104-V126 HydrophobicContact CG1-CG1 4.44Å; V104-V126 HydrophobicContact CG2-CB 4.31Å; V104-V128 HydrophobicContact CG2-CG2 3.98Å; V104-P135 HydrophobicContact CG2-CG 4.38Å
105	H	93.1	Very high	84.7	Confident	51 Å²	51	66.2 Å²	66.2	24%	0.236	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.7	170.7	-61.6	-74.2	0	0	0	110.4	W112 V113 V126 K127	H105-W112 HydrophobicContact CB-CB 4.44Å; H105-W112 HydrophobicContact CB-CE3 4.23Å; H105-V113 CarbonylContact C-O 3.59Å; H105-V113 WeakPolarHBondContact CA-O 3.21Å; H105-V126 CarbonylContact O-C 3.56Å; H105-V126 VanDerWaalsContact O-CA 3.27Å; H105-V126 WeakPolarHBondContact O-CA 3.34Å; H105-K127 HydrophobicContact CB-CB 4.02Å; H105-K127 PolarHBondContact O-N 3.22Å
106	V	92.3	Very high	85.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.2	178.9	-170.1	0	0	0	0	109.3	V104 R108 V113 E115 D124 L125 V126	V104-V106 HydrophobicContact CG1-CG2 3.84Å; V106-R108 VanDerWaalsContact CG1-CZ 3.45Å; V106-R108 PolarHBondContact O-N 3.46Å; V106-V113 PolarHBondContact N-O 3.43Å; V106-V113 PolarHBondContact O-N 3.17Å; V106-E115 HydrophobicContact CB-CB 4.49Å; V106-E115 HydrophobicContact CB-CG 4.43Å; V106-E115 HydrophobicContact CG2-CB 3.77Å; V106-E115 HydrophobicContact CG2-CG 4.22Å; V106-D124 HydrophobicContact CG1-CB 4.08Å; V106-L125 WeakPolarHBondContact CA-O 3.42Å; V106-V126 HydrophobicContact CG2-CG1 4.21Å
107	L	90	Very high	86.6	Confident	18 Å²	18	69.6 Å²	69.6	9%	0.094	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114.6	178.9	-165.3	67.4	0	0	0	110.3	W112 L125 H178 L181	L107-W112 HydrophobicContact CB-CE3 4.14Å; L107-W112 HydrophobicContact CB-CH2 4.25Å; L107-W112 HydrophobicContact CB-CZ3 3.8Å; L107-W112 HydrophobicContact CD1-CD2 4.15Å; L107-W112 HydrophobicContact CD1-CE3 4.23Å; L107-W112 HydrophobicContact CD1-CH2 4.39Å; L107-W112 HydrophobicContact CD1-CZ2 4.3Å; L107-W112 HydrophobicContact CD1-CZ3 4.35Å; L107-L125 HydrophobicContact CB-CB 4.05Å; L107-L125 HydrophobicContact CD2-CD1 3.94Å; L107-L125 PolarHBondContact N-O 3.32Å; L107-H178 HydrophobicContact CD1-CB 4.11Å; L107-L181 HydrophobicContact CD2-CB 3.85Å
108	R	86.9	Confident	86.8	Confident	77 Å²	77	67.4 Å²	67.4	29%	0.291	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.1	-178.4	-62.3	-66.1	-175	-130.3	7.4	109.4	V106 G110 N111 V113 D124	V106-R108 VanDerWaalsContact CG1-CZ 3.45Å; V106-R108 PolarHBondContact O-N 3.46Å; R108-G110 VanDerWaalsContact C-N 3.26Å; R108-G110 PolarHBondContact O-N 3.3Å; R108-N111 PolarHBondContact N-O 2.92Å; R108-N111 PolarHBondContact O-N 2.87Å; R108-N111 VanDerWaalsContact O-O 3.08Å; R108-V113 HydrophobicContact CB-CB 4.29Å; R108-V113 HydrophobicContact CB-CG2 3.87Å; R108-V113 HydrophobicContact CG-CB 4.22Å; R108-V113 HydrophobicContact CG-CG2 4.35Å; R108-D124 IonicContact CZ-OD1 2.7Å; R108-D124 IonicContact CZ-OD2 3.54Å; R108-D124 VanDerWaalsContact NH1-CG 3.32Å; R108-D124 IonicContact NH1-OD1 3.17Å; R108-D124 PolarHBondContact NH1-OD1 2.87Å; R108-D124 IonicContact NH1-OD2 3.36Å; R108-D124 IonicContact NH2-OD1 3.01Å; R108-D124 PolarHBondContact NH2-OD1 2.88Å; R108-D124 IonicContact NH2-OD2 3.49Å; R108-D124 PolarHBondContact NH2-OD2 3.36Å
109	C	81.5	Confident	87.1	Confident	116 Å²	116	62 Å²	62	78%	0.784	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	44.4	179.9	-57.9	0	0	0	0	113.6	N111	C109-N111 PolarHBondContact O-N 3.34Å; C109-N111 PolarHBondContact O-ND2 3.18Å
110	G	80.4	Confident	87.8	Confident	11 Å²	11	59.4 Å²	59.4	11%	0.113	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-16.5	-177.4	0	0	0	0	0	115.6	R108 H178	R108-G110 VanDerWaalsContact C-N 3.26Å; R108-G110 PolarHBondContact O-N 3.3Å; G110-H178 PolarHBondContact O-CD2 3.06Å
111	N	86.2	Confident	88.1	Confident	105 Å²	105	62.1 Å²	62.1	56%	0.561	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	153.1	-174.1	-68	-88.1	0	0	0	112.2	R108 C109 V113	R108-N111 PolarHBondContact N-O 2.92Å; R108-N111 PolarHBondContact O-N 2.87Å; R108-N111 VanDerWaalsContact O-O 3.08Å; C109-N111 PolarHBondContact O-N 3.34Å; C109-N111 PolarHBondContact O-ND2 3.18Å; N111-V113 PolarHBondContact O-N 2.8Å
112	W	89.4	Confident	88.3	Confident	52 Å²	52	56.7 Å²	56.7	20%	0.197	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	115.9	170.1	-66	113.1	0	0	0	110.5	H105 L107 K127 L181 F233 N1174	H105-W112 HydrophobicContact CB-CB 4.44Å; H105-W112 HydrophobicContact CB-CE3 4.23Å; L107-W112 HydrophobicContact CB-CE3 4.14Å; L107-W112 HydrophobicContact CB-CH2 4.25Å; L107-W112 HydrophobicContact CB-CZ3 3.8Å; L107-W112 HydrophobicContact CD1-CD2 4.15Å; L107-W112 HydrophobicContact CD1-CE3 4.23Å; L107-W112 HydrophobicContact CD1-CH2 4.39Å; L107-W112 HydrophobicContact CD1-CZ2 4.3Å; L107-W112 HydrophobicContact CD1-CZ3 4.35Å; W112-K127 HydrophobicContact CD2-CB 4.01Å; W112-K127 HydrophobicContact CD2-CD 4.35Å; W112-K127 HydrophobicContact CE3-CB 3.71Å; W112-K127 HydrophobicContact CH2-CB 3.74Å; W112-K127 HydrophobicContact CZ2-CB 4.03Å; W112-K127 HydrophobicContact CZ3-CB 3.58Å; W112-L181 HydrophobicContact CH2-CD1 3.71Å; W112-L181 HydrophobicContact CZ2-CD1 3.75Å; W112-F233 AromaticContact CH2-CD1 3.81Å; W112-F233 HydrophobicContact CH2-CD1 3.81Å; W112-F233 HydrophobicContact CH2-CE1 4.01Å; W112-F233 HydrophobicContact CH2-CG 4.29Å; W112-F233 AromaticContact CZ2-CD1 3.68Å; W112-F233 HydrophobicContact CZ2-CD1 3.68Å; W112-F233 HydrophobicContact CZ2-CD2 4.49Å; W112-F233 AromaticContact CZ2-CE1 3.39Å; W112-F233 HydrophobicContact CZ2-CE1 3.39Å; W112-F233 HydrophobicContact CZ2-CE2 4.25Å; W112-F233 HydrophobicContact CZ2-CG 4.26Å; W112-F233 AromaticContact CZ2-CZ 3.7Å; W112-F233 HydrophobicContact CZ2-CZ 3.7Å; W112-N1174 PolarHBondContact NE1-OXT 2.93Å
113	V	91.6	Very high	88.5	Confident	58 Å²	58	55.4 Å²	55.4	35%	0.352	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.8	178.2	178.3	0	0	0	0	109.4	H105 V106 R108 N111 E115	H105-V113 CarbonylContact C-O 3.59Å; H105-V113 WeakPolarHBondContact CA-O 3.21Å; V106-V113 PolarHBondContact N-O 3.43Å; V106-V113 PolarHBondContact O-N 3.17Å; R108-V113 HydrophobicContact CB-CB 4.29Å; R108-V113 HydrophobicContact CB-CG2 3.87Å; R108-V113 HydrophobicContact CG-CB 4.22Å; R108-V113 HydrophobicContact CG-CG2 4.35Å; N111-V113 PolarHBondContact O-N 2.8Å; V113-E115 PolarHBondContact O-N 2.92Å
114	E	92.3	Very high	88.5	Confident	105 Å²	105	51.4 Å²	51.4	49%	0.491	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.3	169.7	-73.5	-171.3	129.9	0	0	110.6	K103	K103-E114 HydrophobicContact CD-CB 4.3Å; K103-E114 HydrophobicContact CD-CG 4.34Å; K103-E114 VanDerWaalsContact CD-OE1 3.29Å; K103-E114 WeakPolarHBondContact CD-OE1 3.43Å; K103-E114 IonicContact NZ-OE1 2.65Å; K103-E114 PolarHBondContact NZ-OE1 3.31Å; K103-E114 VanDerWaalsContact NZ-OE1 3.1Å; K103-E114 IonicContact NZ-OE2 3.27Å; K103-E114 PolarHBondContact NZ-OE2 2.95Å
115	E	90.7	Very high	88.6	Confident	50 Å²	50	52.1 Å²	52.1	23%	0.234	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.9	174.8	-80.8	-71	-177.9	0	0	111.3	K103 V104 V106 V113 N119	K103-E115 CarbonylContact C-O 3.51Å; K103-E115 VanDerWaalsContact CA-O 3.29Å; K103-E115 WeakPolarHBondContact CA-O 3.43Å; V104-E115 PolarHBondContact N-O 2.86Å; V104-E115 PolarHBondContact O-N 2.88Å; V106-E115 HydrophobicContact CB-CB 4.49Å; V106-E115 HydrophobicContact CB-CG 4.43Å; V106-E115 HydrophobicContact CG2-CB 3.77Å; V106-E115 HydrophobicContact CG2-CG 4.22Å; V113-E115 PolarHBondContact O-N 2.92Å; E115-N119 PolarHBondContact OE2-ND2 2.95Å
116	Y	90.7	Very high	88.6	Confident	105 Å²	105	49.7 Å²	49.7	41%	0.412	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.8	174.2	-63.9	-67.2	0	0	0	111.5	R101 S102 K103 Q118 N119	R101-Y116 HydrophobicContact CB-CD1 4.23Å; R101-Y116 HydrophobicContact CB-CE1 4.42Å; R101-Y116 WeakPolarHBondContact O-CD1 3.24Å; S102-Y116 CarbonylContact O-C 3.59Å; S102-Y116 WeakPolarHBondContact O-CA 3.43Å; K103-Y116 HydrophobicContact CG-CD1 4.43Å; K103-Y116 HydrophobicContact CG-CE1 4.4Å; Y116-Q118 PolarHBondContact O-N 2.76Å; Y116-Q118 VanDerWaalsContact O-N 3.14Å; Y116-N119 WeakPolarHBondContact O-CB 3.26Å; Y116-N119 PolarHBondContact O-N 2.92Å
117	W	87.6	Confident	88.7	Confident	28 Å²	28	50.8 Å²	50.8	11%	0.106	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.3	-32.8	178.3	-76.2	22.5	0	0	0	113.6	T99 N100 S102 K103 N119 I120 F133 P135	T99-W117 HydrophobicContact CG2-CE3 4.32Å; T99-W117 HydrophobicContact CG2-CZ3 4.27Å; N100-W117 PolarHBondContact O-N 3.14Å; S102-W117 VanDerWaalsContact C-CD1 3.46Å; S102-W117 VanDerWaalsContact CB-CE2 3.48Å; S102-W117 PolarHBondContact O-N 2.84Å; K103-W117 PolarHBondContact O-NE1 3.41Å; W117-N119 PolarHBondContact O-N 2.94Å; W117-I120 HydrophobicContact CB-CD1 4.41Å; W117-I120 HydrophobicContact CG-CD1 4.4Å; W117-F133 HydrophobicContact CH2-CB 3.74Å; W117-F133 HydrophobicContact CZ2-CB 4.01Å; W117-F133 WeakPolarHBondContact CZ2-O 3.25Å; W117-P135 HydrophobicContact CD2-CB 3.77Å; W117-P135 HydrophobicContact CE3-CB 4.34Å; W117-P135 HydrophobicContact CG-CB 4.01Å; W117-P135 HydrophobicContact CZ2-CB 4.01Å
118	Q	84.9	Confident	88.8	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.383	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.4	-6	172.9	54.4	155.8	79.5	0	0	115.5	L21 N100 Y116	L21-Q118 VanDerWaalsContact CB-O 3.31Å; L21-Q118 WeakPolarHBondContact CB-O 3.19Å; L21-Q118 WeakPolarHBondContact CD1-O 3.3Å; N100-Q118 HydrophobicContact CB-CB 4.35Å; N100-Q118 WeakPolarHBondContact O-CG 3.42Å; N100-Q118 PolarHBondContact O-N 2.8Å; Y116-Q118 PolarHBondContact O-N 2.76Å; Y116-Q118 VanDerWaalsContact O-N 3.14Å
119	N	87	Confident	89	Confident	58 Å²	58	48.7 Å²	48.7	31%	0.31	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-112.7	4.2	-176.3	-61.1	-1.4	0	0	0	113.1	E115 Y116 W117	E115-N119 PolarHBondContact OE2-ND2 2.95Å; Y116-N119 WeakPolarHBondContact O-CB 3.26Å; Y116-N119 PolarHBondContact O-N 2.92Å; W117-N119 PolarHBondContact O-N 2.94Å
120	I	87	Confident	89.4	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-87.7	117.4	-174.2	-57.5	169.7	0	0	0	111.3	L21 V104 W117 D124 V126 P135 V236	L21-I120 WeakPolarHBondContact CD1-O 3.05Å; L21-I120 WeakPolarHBondContact CD2-O 3.4Å; V104-I120 HydrophobicContact CG1-CD1 3.52Å; V104-I120 HydrophobicContact CG1-CG1 4.09Å; W117-I120 HydrophobicContact CB-CD1 4.41Å; W117-I120 HydrophobicContact CG-CD1 4.4Å; I120-D124 HydrophobicContact CG2-CB 4.43Å; I120-V126 HydrophobicContact CG2-CG1 4.45Å; I120-P135 HydrophobicContact CD1-CB 3.5Å; I120-P135 VanDerWaalsContact CD1-CB 3.5Å; I120-P135 HydrophobicContact CD1-CG 3.84Å; I120-V236 HydrophobicContact CG2-CB 4.5Å; I120-V236 HydrophobicContact CG2-CG1 4.23Å; I120-V236 HydrophobicContact CG2-CG2 3.66Å
121	C	88.2	Confident	89.6	Confident	69 Å²	69	47.7 Å²	47.7	47%	0.466	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-94	157.3	179	-72.4	0	0	0	0	113.1	G123 D124 V236	C121-G123 PolarHBondContact O-N 2.83Å; C121-D124 PolarHBondContact N-OD2 2.98Å; C121-D124 VanDerWaalsContact O-CB 3.28Å; C121-D124 WeakPolarHBondContact O-CB 3.46Å; C121-D124 PolarHBondContact O-N 2.96Å; C121-D124 VanDerWaalsContact O-N 3.14Å; C121-V236 WeakPolarHBondContact O-CG1 3.49Å
122	V	89.3	Confident	89.6	Confident	51 Å²	51	45.9 Å²	45.9	31%	0.309	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	132	168.2	175.6	0	0	0	0	109.4	T4 V237 T239	T4-V122 HydrophobicContact CG2-CG1 4.27Å; V122-V237 WeakPolarHBondContact CG1-O 3.34Å; V122-T239 HydrophobicContact CG2-CG2 3.95Å
123	G	88.5	Confident	89.6	Confident	17 Å²	17	48.5 Å²	48.5	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	1.2	-173.6	0	0	0	0	0	115.3	C121 L235 V236	C121-G123 PolarHBondContact O-N 2.83Å; G123-L235 WeakPolarHBondContact O-CD1 3.42Å; G123-V236 PolarHBondContact N-O 2.9Å
124	D	90.7	Very high	89.5	Confident	19 Å²	19	45.8 Å²	45.8	10%	0.102	25%	0.248	C	C	.	.			trans	-71.3	146	169.9	-80.1	-20.3	0	0	0	112	V106 R108 I120 C121 V236	V106-D124 HydrophobicContact CG1-CB 4.08Å; R108-D124 IonicContact CZ-OD1 2.7Å; R108-D124 IonicContact CZ-OD2 3.54Å; R108-D124 VanDerWaalsContact NH1-CG 3.32Å; R108-D124 IonicContact NH1-OD1 3.17Å; R108-D124 PolarHBondContact NH1-OD1 2.87Å; R108-D124 IonicContact NH1-OD2 3.36Å; R108-D124 IonicContact NH2-OD1 3.01Å; R108-D124 PolarHBondContact NH2-OD1 2.88Å; R108-D124 IonicContact NH2-OD2 3.49Å; R108-D124 PolarHBondContact NH2-OD2 3.36Å; I120-D124 HydrophobicContact CG2-CB 4.43Å; C121-D124 PolarHBondContact N-OD2 2.98Å; C121-D124 VanDerWaalsContact O-CB 3.28Å; C121-D124 WeakPolarHBondContact O-CB 3.46Å; C121-D124 PolarHBondContact O-N 2.96Å; C121-D124 VanDerWaalsContact O-N 3.14Å; D124-V236 HydrophobicContact CB-CG2 4.15Å; D124-V236 WeakPolarHBondContact O-CG2 3.31Å; D124-V236 PolarHBondContact O-N 3.02Å
125	L	92.4	Very high	89.4	Confident	19 Å²	19	41 Å²	41	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123	171.1	-71	170.9	0	0	0	109.3	V106 L107 L141 L181 G234 L235	V106-L125 WeakPolarHBondContact CA-O 3.42Å; L107-L125 HydrophobicContact CB-CB 4.05Å; L107-L125 HydrophobicContact CD2-CD1 3.94Å; L107-L125 PolarHBondContact N-O 3.32Å; L125-L141 HydrophobicContact CD2-CD1 3.52Å; L125-L181 HydrophobicContact CD1-CB 4.41Å; L125-G234 WeakPolarHBondContact CA-O 3.38Å; L125-L235 HydrophobicContact CD2-CB 4.14Å; L125-L235 HydrophobicContact CD2-CD1 3.78Å; L125-L235 HydrophobicContact CG-CD1 4.25Å
126	V	93	Very high	89.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.2	-176.2	-58.4	0	0	0	0	112	V104 H105 V106 I120 V128 L138 F233 G234 V236	V104-V126 HydrophobicContact CG1-CG1 4.44Å; V104-V126 HydrophobicContact CG2-CB 4.31Å; H105-V126 CarbonylContact O-C 3.56Å; H105-V126 VanDerWaalsContact O-CA 3.27Å; H105-V126 WeakPolarHBondContact O-CA 3.34Å; V106-V126 HydrophobicContact CG2-CG1 4.21Å; I120-V126 HydrophobicContact CG2-CG1 4.45Å; V126-V128 HydrophobicContact CG2-CG2 4.28Å; V126-L138 HydrophobicContact CG2-CD1 3.63Å; V126-L138 HydrophobicContact CG2-CD2 3.81Å; V126-L138 HydrophobicContact CG2-CG 4.37Å; V126-F233 WeakPolarHBondContact O-CA 3.26Å; V126-G234 PolarHBondContact N-O 3.16Å; V126-G234 PolarHBondContact O-N 3.07Å; V126-V236 HydrophobicContact CG1-CG2 3.85Å; V126-V236 HydrophobicContact CG2-CG2 4.41Å
127	K	93.6	Very high	89.5	Confident	23 Å²	23	33.8 Å²	33.8	10%	0.1	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.4	165.9	176.2	-179.4	-166.2	171.8	0	108	H105 W112 W231 I232 F233 E1172 G1173	H105-K127 HydrophobicContact CB-CB 4.02Å; H105-K127 PolarHBondContact O-N 3.22Å; W112-K127 HydrophobicContact CD2-CB 4.01Å; W112-K127 HydrophobicContact CD2-CD 4.35Å; W112-K127 HydrophobicContact CE3-CB 3.71Å; W112-K127 HydrophobicContact CH2-CB 3.74Å; W112-K127 HydrophobicContact CZ2-CB 4.03Å; W112-K127 HydrophobicContact CZ3-CB 3.58Å; K127-W231 HydrophobicContact CG-CB 4.45Å; K127-I232 WeakPolarHBondContact CA-O 3.43Å; K127-F233 HydrophobicContact CB-CD1 3.92Å; K127-F233 HydrophobicContact CB-CE1 4Å; K127-F233 HydrophobicContact CD-CE1 3.8Å; K127-F233 HydrophobicContact CG-CD1 4.02Å; K127-F233 HydrophobicContact CG-CE1 3.78Å; K127-E1172 PolarHBondContact NZ-O 3.13Å; K127-G1173 PolarHBondContact NZ-O 2.93Å
128	V	93.1	Very high	89.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.7	172.9	-171.4	0	0	0	0	108.5	V104 V126 Q132 L134 L138 W231 I232	V104-V128 HydrophobicContact CG2-CG2 3.98Å; V126-V128 HydrophobicContact CG2-CG2 4.28Å; V128-Q132 HydrophobicContact CG1-CB 3.77Å; V128-L134 HydrophobicContact CB-CD2 4.29Å; V128-L134 HydrophobicContact CG1-CD2 4.01Å; V128-L134 HydrophobicContact CG2-CD2 4.11Å; V128-L138 HydrophobicContact CG2-CD1 4.28Å; V128-W231 CarbonylContact O-C 3.6Å; V128-W231 WeakPolarHBondContact O-CA 3.25Å; V128-I232 HydrophobicContact CB-CD1 4.27Å; V128-I232 HydrophobicContact CB-CG1 3.91Å; V128-I232 HydrophobicContact CG2-CG1 4.49Å; V128-I232 PolarHBondContact N-O 2.86Å; V128-I232 VanDerWaalsContact N-O 3.16Å; V128-I232 PolarHBondContact O-N 2.85Å
129	V	91.8	Very high	90.3	Very high	51 Å²	51	28.6 Å²	28.6	31%	0.309	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.9	-176.9	-178.9	0	0	0	0	110.3	G131 Q132 L230	V129-G131 PolarHBondContact O-N 2.92Å; V129-Q132 VanDerWaalsContact O-CB 3.29Å; V129-Q132 WeakPolarHBondContact O-CB 3.2Å; V129-Q132 WeakPolarHBondContact O-CG 3.35Å; V129-Q132 PolarHBondContact O-N 3.3Å; V129-Q132 VanDerWaalsContact O-N 3.14Å; V129-L230 WeakPolarHBondContact CA-O 3.47Å
130	S	88.9	Confident	90.7	Very high	55 Å²	55	26 Å²	26	39%	0.385	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	138.4	176.6	-163.3	0	0	0	0	112.5	Q132 T229 L230	S130-Q132 VanDerWaalsContact C-N 3.3Å; S130-Q132 PolarHBondContact O-N 3.31Å; S130-T229 VanDerWaalsContact CB-O 3.22Å; S130-T229 WeakPolarHBondContact CB-O 3.07Å; S130-T229 PolarHBondContact OG-O 3.36Å; S130-L230 PolarHBondContact N-O 3.03Å
131	G	84.7	Confident	90.9	Very high	52 Å²	52	25.9 Å²	25.9	54%	0.536	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-4.2	-177.3	0	0	0	0	0	115.5	V129 L226	V129-G131 PolarHBondContact O-N 2.92Å; G131-L226 PolarHBondContact N-O 3.44Å
132	Q	87.2	Confident	91	Very high	67 Å²	67	22.6 Å²	22.6	31%	0.313	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-92.2	147.8	177.9	-61	-179.1	-10.3	0	0	112.6	V128 V129 S130 L226	V128-Q132 HydrophobicContact CG1-CB 3.77Å; V129-Q132 VanDerWaalsContact O-CB 3.29Å; V129-Q132 WeakPolarHBondContact O-CB 3.2Å; V129-Q132 WeakPolarHBondContact O-CG 3.35Å; V129-Q132 PolarHBondContact O-N 3.3Å; V129-Q132 VanDerWaalsContact O-N 3.14Å; S130-Q132 VanDerWaalsContact C-N 3.3Å; S130-Q132 PolarHBondContact O-N 3.31Å; Q132-L226 PolarHBondContact O-N 2.88Å; Q132-L226 VanDerWaalsContact O-N 3.08Å
133	F	87.6	Confident	91.1	Very high	107 Å²	107	20.2 Å²	20.2	47%	0.469	12%	0.123	S	C	.	.	B	Isolated β-bridge	trans	-73.8	144.2	170.3	-65.2	-75.7	0	0	0	111.5	W117 A224 V225	W117-F133 HydrophobicContact CH2-CB 3.74Å; W117-F133 HydrophobicContact CZ2-CB 4.01Å; W117-F133 WeakPolarHBondContact CZ2-O 3.25Å; F133-A224 CarbonylContact C-O 3.56Å; F133-A224 WeakPolarHBondContact CA-O 3.47Å; F133-V225 HydrophobicContact CD1-CG2 3.51Å; F133-V225 HydrophobicContact CE1-CG2 3.36Å; F133-V225 HydrophobicContact CG-CG2 4.44Å; F133-V225 HydrophobicContact CZ-CG2 4.21Å
134	L	91.1	Very high	91.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-72.5	127.1	172.4	-57.2	-171.9	0	0	0	110.8	V128 L138 L220 G223 A224 I232	V128-L134 HydrophobicContact CB-CD2 4.29Å; V128-L134 HydrophobicContact CG1-CD2 4.01Å; V128-L134 HydrophobicContact CG2-CD2 4.11Å; L134-L138 HydrophobicContact CD2-CD1 4.29Å; L134-L220 HydrophobicContact CD1-CB 3.39Å; L134-L220 HydrophobicContact CD1-CD1 4.37Å; L134-L220 HydrophobicContact CD1-CG 4.5Å; L134-G223 PolarHBondContact O-N 3.43Å; L134-A224 HydrophobicContact CD1-CB 4.11Å; L134-A224 HydrophobicContact CG-CB 4.4Å; L134-A224 PolarHBondContact N-O 3.29Å; L134-I232 HydrophobicContact CD2-CD1 4.04Å
135	P	89.3	Confident	90.9	Very high	6 Å²	6	19 Å²	19	4%	0.039	11%	0.113	C	C	.	.	S	Bend	trans	-76.4	-23.4	-173.9	30.1	-36.6	0	0	0	114.1	V104 W117 I120 R222	V104-P135 HydrophobicContact CG2-CG 4.38Å; W117-P135 HydrophobicContact CD2-CB 3.77Å; W117-P135 HydrophobicContact CE3-CB 4.34Å; W117-P135 HydrophobicContact CG-CB 4.01Å; W117-P135 HydrophobicContact CZ2-CB 4.01Å; I120-P135 HydrophobicContact CD1-CB 3.5Å; I120-P135 VanDerWaalsContact CD1-CB 3.5Å; I120-P135 HydrophobicContact CD1-CG 3.84Å; P135-R222 PolarHBondContact O-NH1 2.81Å
136	A	90.9	Very high	90.4	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	13%	0.125	C	C	.	.	S	Bend	trans	-153.9	175.4	-168.3	0	0	0	0	0	108.7	L138 R222 V236 Y238 T239	A136-L138 HydrophobicContact CB-CD2 4Å; A136-R222 PolarHBondContact O-N 3.06Å; A136-V236 HydrophobicContact CB-CG1 3.89Å; A136-Y238 WeakPolarHBondContact CB-O 3.41Å; A136-T239 HydrophobicContact CB-CG2 4.29Å
137	D	93.1	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.3	169.8	-64.1	-14.4	0	0	0	108	L220 R222 V237 Y238 T243 K244	D137-L220 CarbonylContact C-O 3.53Å; D137-L220 WeakPolarHBondContact CA-O 3.43Å; D137-R222 WeakPolarHBondContact OD1-CB 3.48Å; D137-R222 PolarHBondContact OD1-N 3.01Å; D137-V237 PolarHBondContact O-N 3.2Å; D137-Y238 HydrophobicContact CB-CD2 3.97Å; D137-Y238 PolarHBondContact N-O 3.17Å; D137-Y238 VanDerWaalsContact N-O 3.13Å; D137-Y238 PolarHBondContact O-N 3.49Å; D137-T243 HydrophobicContact CB-CG2 4.5Å; D137-T243 VanDerWaalsContact OD2-CA 3.22Å; D137-T243 WeakPolarHBondContact OD2-CA 3.47Å; D137-K244 PolarHBondContact OD2-N 2.9Å
138	L	94.6	Very high	89.5	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.3	-169.1	-49.7	-179.5	0	0	0	111.8	V126 V128 L134 A136 L220 L235 V236	V126-L138 HydrophobicContact CG2-CD1 3.63Å; V126-L138 HydrophobicContact CG2-CD2 3.81Å; V126-L138 HydrophobicContact CG2-CG 4.37Å; V128-L138 HydrophobicContact CG2-CD1 4.28Å; L134-L138 HydrophobicContact CD2-CD1 4.29Å; A136-L138 HydrophobicContact CB-CD2 4Å; L138-L220 HydrophobicContact CB-CB 4.37Å; L138-L220 PolarHBondContact N-O 3.39Å; L138-L220 PolarHBondContact O-N 3.34Å; L138-L235 CarbonylContact C-O 3.6Å; L138-L235 VanDerWaalsContact CA-O 3.31Å; L138-L235 WeakPolarHBondContact CA-O 3.43Å; L138-V236 HydrophobicContact CD2-CB 4.23Å; L138-V236 HydrophobicContact CD2-CG2 3.61Å
139	V	94.4	Very high	89.2	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.4	164.2	169	0	0	0	0	109.6	L141 F200 L214 Q218 L219 G234 L235 V237	V139-L141 HydrophobicContact CG1-CD2 4.46Å; V139-L141 PolarHBondContact O-N 3.19Å; V139-F200 HydrophobicContact CG2-CE1 4.25Å; V139-F200 HydrophobicContact CG2-CZ 4.42Å; V139-L214 HydrophobicContact CG1-CD1 4.02Å; V139-L214 HydrophobicContact CG1-CD2 3.93Å; V139-L214 HydrophobicContact CG2-CD1 4.01Å; V139-Q218 WeakPolarHBondContact CA-O 3.34Å; V139-L219 HydrophobicContact CG2-CD1 4.45Å; V139-G234 VanDerWaalsContact O-CA 3.3Å; V139-G234 WeakPolarHBondContact O-CA 3.27Å; V139-L235 PolarHBondContact N-O 3.38Å; V139-L235 PolarHBondContact O-N 3.37Å; V139-V237 HydrophobicContact CB-CG2 4.42Å; V139-V237 HydrophobicContact CG2-CG2 3.64Å
140	L	94.4	Very high	89.1	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.5	178.7	178.6	55.2	0	0	0	111.2	C142 A148 A150 R166 G168 Q218 L220 I232	L140-C142 WeakPolarHBondContact CD1-O 3.18Å; L140-A148 WeakPolarHBondContact CD2-O 3.45Å; L140-A150 HydrophobicContact CD1-CB 4.48Å; L140-A150 HydrophobicContact CD2-CB 3.86Å; L140-R166 HydrophobicContact CD2-CB 4.19Å; L140-G168 WeakPolarHBondContact O-CA 3.5Å; L140-Q218 WeakPolarHBondContact CB-O 3.4Å; L140-Q218 PolarHBondContact N-O 3.26Å; L140-L220 HydrophobicContact CB-CD1 4.01Å; L140-L220 HydrophobicContact CB-CD2 4.24Å; L140-L220 HydrophobicContact CB-CG 4.09Å; L140-L220 HydrophobicContact CD1-CD1 4.29Å; L140-L220 HydrophobicContact CD2-CD2 4.28Å; L140-I232 HydrophobicContact CD1-CB 3.99Å; L140-I232 HydrophobicContact CD1-CG2 3.87Å
141	L	91.5	Very high	89	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-52	176.6	-58.9	179.6	0	0	0	111.1	L125 V139 T172 L181 L204 F233 L235	L125-L141 HydrophobicContact CD2-CD1 3.52Å; V139-L141 HydrophobicContact CG1-CD2 4.46Å; V139-L141 PolarHBondContact O-N 3.19Å; L141-T172 HydrophobicContact CD2-CG2 4.24Å; L141-T172 CarbonylContact O-C 3.43Å; L141-T172 VanDerWaalsContact O-C 3.3Å; L141-T172 WeakPolarHBondContact O-CB 3.48Å; L141-T172 PolarHBondContact O-OG1 2.73Å; L141-L181 HydrophobicContact CD1-CD2 4.16Å; L141-L204 HydrophobicContact CD2-CD2 4.38Å; L141-F233 PolarHBondContact N-O 3.43Å; L141-L235 HydrophobicContact CD1-CB 4.32Å
142	C	91	Very high	89.1	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	173.6	178.5	55.5	0	0	0	0	111.6	L140 A148 L175 L176 F233	L140-C142 WeakPolarHBondContact CD1-O 3.18Å; C142-A148 HydrophobicContact CB-CB 4.47Å; C142-L175 PolarHBondContact SG-O 3.46Å; C142-L176 HydrophobicContact CB-CD2 4.37Å; C142-F233 PolarHBondContact O-N 3.27Å; C142-F233 WeakPolarHBondContact SG-CD2 3.38Å
143	S	91.7	Very high	88.7	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.014	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	167	-165.1	179.8	0	0	0	0	111	E145 M149 T229 W231	S143-E145 VanDerWaalsContact C-N 3.26Å; S143-E145 PolarHBondContact O-N 2.67Å; S143-E145 PolarHBondContact OG-N 2.81Å; S143-M149 WeakPolarHBondContact CB-O 3.24Å; S143-M149 PolarHBondContact OG-O 3.49Å; S143-T229 WeakPolarHBondContact OG-CG2 3.24Å; S143-W231 WeakPolarHBondContact CA-O 3.48Å; S143-W231 PolarHBondContact OG-O 3.27Å
144	S	89.5	Confident	88	Confident	5 Å²	5	10.2 Å²	10.2	4%	0.035	5%	0.054	C	C	.	.	S	Bend	trans	-65.4	-25.3	168.1	64	0	0	0	0	114.1	L230 W231 P1171	S144-L230 PolarHBondContact OG-N 3.24Å; S144-W231 PolarHBondContact N-O 2.76Å; S144-P1171 WeakPolarHBondContact O-CD 3.31Å
145	E	86	Confident	86.6	Confident	6 Å²	6	10.3 Å²	10.3	3%	0.028	6%	0.055	C	C	.	.	S	Bend	trans	-89.4	154.8	-175.2	-50.2	-51.9	126.8	0	0	112.8	S143 A148 M149 T229 K1170	S143-E145 VanDerWaalsContact C-N 3.26Å; S143-E145 PolarHBondContact O-N 2.67Å; S143-E145 PolarHBondContact OG-N 2.81Å; E145-A148 PolarHBondContact O-N 2.84Å; E145-M149 HydrophobicContact CB-CB 4.17Å; E145-M149 WeakPolarHBondContact CB-O 3.45Å; E145-T229 HydrophobicContact CG-CG2 4.16Å; E145-K1170 WeakPolarHBondContact OE1-CD 3.42Å; E145-K1170 WeakPolarHBondContact OE1-CE 3.45Å; E145-K1170 IonicContact OE1-NZ 3.31Å; E145-K1170 PolarHBondContact OE1-NZ 3.17Å; E145-K1170 WeakPolarHBondContact OE2-CE 3.47Å; E145-K1170 IonicContact OE2-NZ 2.68Å; E145-K1170 PolarHBondContact OE2-NZ 3.05Å
146	P	81	Confident	85.4	Confident	53 Å²	53	10.7 Å²	10.7	34%	0.344	6%	0.057	S	C	.	.	G	3₁₀ helix	trans	-52.5	149.4	179.5	-27.7	36.1	0	0	0	113.9	A148 M149 S1163	P146-A148 PolarHBondContact O-N 3.01Å; P146-A148 VanDerWaalsContact O-N 3.13Å; P146-M149 HydrophobicContact CB-CE 4.21Å; P146-M149 WeakPolarHBondContact O-CB 3.49Å; P146-M149 VanDerWaalsContact O-CE 3.27Å; P146-M149 WeakPolarHBondContact O-CE 3.49Å; P146-M149 WeakPolarHBondContact O-CG 3.23Å; P146-M149 PolarHBondContact O-N 3.42Å; P146-M149 VanDerWaalsContact O-N 3.11Å; P146-S1163 WeakPolarHBondContact CG-O 3.38Å
147	Q	81.4	Confident	84.2	Confident	103 Å²	103	11.4 Å²	11.4	48%	0.481	6%	0.06	S	C	.	.	G	3₁₀ helix	trans	54.7	24.5	-179.7	-51.9	-172.1	11.6	0	0	115.4	M149	Q147-M149 PolarHBondContact O-N 3.09Å
148	A	86	Confident	82.8	Confident	3 Å²	3	11.7 Å²	11.7	3%	0.025	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	56.3	36.3	-173.4	0	0	0	0	0	113.7	L140 C142 E145 P146 G168 A173	L140-A148 WeakPolarHBondContact CD2-O 3.45Å; C142-A148 HydrophobicContact CB-CB 4.47Å; E145-A148 PolarHBondContact O-N 2.84Å; P146-A148 PolarHBondContact O-N 3.01Å; P146-A148 VanDerWaalsContact O-N 3.13Å; A148-G168 PolarHBondContact O-N 3.48Å; A148-A173 HydrophobicContact CB-CB 3.61Å
149	M	88.1	Confident	80.7	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	148.4	168.5	-74.1	-172.4	-62.8	0	0	111.3	S143 E145 P146 Q147 L165 R166 V1155 S1163 Y1164	S143-M149 WeakPolarHBondContact CB-O 3.24Å; S143-M149 PolarHBondContact OG-O 3.49Å; E145-M149 HydrophobicContact CB-CB 4.17Å; E145-M149 WeakPolarHBondContact CB-O 3.45Å; P146-M149 HydrophobicContact CB-CE 4.21Å; P146-M149 WeakPolarHBondContact O-CB 3.49Å; P146-M149 VanDerWaalsContact O-CE 3.27Å; P146-M149 WeakPolarHBondContact O-CE 3.49Å; P146-M149 WeakPolarHBondContact O-CG 3.23Å; P146-M149 PolarHBondContact O-N 3.42Å; P146-M149 VanDerWaalsContact O-N 3.11Å; Q147-M149 PolarHBondContact O-N 3.09Å; M149-L165 HydrophobicContact CB-CD1 3.88Å; M149-L165 HydrophobicContact CG-CD1 4.11Å; M149-L165 HydrophobicContact SD-CD1 4.22Å; M149-L165 HydrophobicContact SD-CD2 4.19Å; M149-R166 CarbonylContact C-O 3.57Å; M149-R166 WeakPolarHBondContact CA-O 3.38Å; M149-V1155 HydrophobicContact SD-CG1 4.41Å; M149-V1155 HydrophobicContact SD-CG2 4.18Å; M149-S1163 WeakPolarHBondContact CE-OG 3.49Å; M149-Y1164 HydrophobicContact CE-CD2 4.44Å; M149-Y1164 HydrophobicContact CE-CE2 3.67Å
150	A	89.1	Confident	79	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.7	168.2	0	0	0	0	0	109.9	L140 R166 L226 T229 I232	L140-A150 HydrophobicContact CD1-CB 4.48Å; L140-A150 HydrophobicContact CD2-CB 3.86Å; A150-R166 PolarHBondContact N-O 3.25Å; A150-R166 PolarHBondContact O-N 3.38Å; A150-L226 HydrophobicContact CB-CD1 4.24Å; A150-T229 HydrophobicContact CB-CG2 4.16Å; A150-I232 HydrophobicContact CB-CG2 3.65Å
151	Y	86.3	Confident	76.8	Confident	16 Å²	16	17 Å²	17	6%	0.063	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.2	171.4	-54.5	-88.4	0	0	0	110.4	L163 L165 K227 N228 T229 Y1164	Y151-L163 HydrophobicContact CD1-CB 4.31Å; Y151-L165 HydrophobicContact CD1-CB 4.18Å; Y151-L165 HydrophobicContact CD1-CD1 3.96Å; Y151-L165 HydrophobicContact CE1-CB 4.27Å; Y151-L165 HydrophobicContact CE1-CD1 3.84Å; Y151-L165 HydrophobicContact CE1-CD2 4.27Å; Y151-L165 HydrophobicContact CE1-CG 4.36Å; Y151-L165 HydrophobicContact CG-CD1 4.43Å; Y151-K227 WeakPolarHBondContact CB-O 3.21Å; Y151-K227 PolarHBondContact O-N 3.48Å; Y151-K227 VanDerWaalsContact O-N 3.11Å; Y151-N228 HydrophobicContact CD2-CB 3.55Å; Y151-N228 WeakPolarHBondContact CD2-O 3.06Å; Y151-N228 HydrophobicContact CE2-CB 4.13Å; Y151-N228 HydrophobicContact CG-CB 4.11Å; Y151-T229 PolarHBondContact N-OG1 2.93Å; Y151-Y1164 VanDerWaalsContact CE2-OH 3.24Å; Y151-Y1164 WeakPolarHBondContact CE2-OH 3.23Å; Y151-Y1164 WeakPolarHBondContact OH-CE2 3.01Å; Y151-Y1164 PolarHBondContact OH-OH 2.95Å; Y151-Y1164 VanDerWaalsContact OH-OH 3.06Å
152	I	86.6	Confident	75.5	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.5	172.1	60.4	168.9	0	0	0	110.8	T154 K164 R166 L220 A224 V225 L226	I152-T154 HydrophobicContact CD1-CG2 3.87Å; I152-T154 HydrophobicContact CG1-CG2 4.04Å; I152-K164 HydrophobicContact CG1-CB 4.41Å; I152-K164 WeakPolarHBondContact CG1-O 3.45Å; I152-K164 PolarHBondContact N-O 3.2Å; I152-K164 PolarHBondContact O-N 3.01Å; I152-R166 HydrophobicContact CD1-CG 3.83Å; I152-R166 HydrophobicContact CG1-CG 3.91Å; I152-L220 HydrophobicContact CD1-CD2 4.34Å; I152-L220 HydrophobicContact CG2-CD2 4.37Å; I152-A224 HydrophobicContact CB-CB 4.27Å; I152-A224 HydrophobicContact CD1-CB 4.22Å; I152-V225 CarbonylContact C-O 3.55Å; I152-V225 VanDerWaalsContact CA-O 3.31Å; I152-V225 WeakPolarHBondContact CA-O 3.42Å; I152-L226 HydrophobicContact CG2-CD1 4.35Å
153	E	79.3	Confident	74.6	Confident	10 Å²	10	21.9 Å²	21.9	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.2	167.3	-173.6	-166.3	149.4	0	0	108.8	S155 L163 A224 V225 K227	E153-S155 WeakPolarHBondContact OE1-CB 3.46Å; E153-S155 PolarHBondContact OE1-OG 3.38Å; E153-L163 HydrophobicContact CB-CD2 4.03Å; E153-A224 WeakPolarHBondContact O-CA 3.38Å; E153-A224 WeakPolarHBondContact O-CB 3.46Å; E153-V225 HydrophobicContact CB-CB 4.25Å; E153-V225 PolarHBondContact N-O 3.41Å; E153-V225 PolarHBondContact O-N 2.64Å; E153-K227 HydrophobicContact CB-CD 4.36Å; E153-K227 WeakPolarHBondContact OE2-CD 3.27Å; E153-K227 WeakPolarHBondContact OE2-CE 3.42Å; E153-K227 IonicContact OE2-NZ 2.65Å; E153-K227 PolarHBondContact OE2-NZ 3.32Å
154	T	73.1	Confident	73.9	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.12	C	C	.	.			trans	-111.3	11.5	-175.3	56.7	0	0	0	0	114.1	I152 N156 L157 D158 K164 A224	I152-T154 HydrophobicContact CD1-CG2 3.87Å; I152-T154 HydrophobicContact CG1-CG2 4.04Å; T154-N156 PolarHBondContact O-N 3.41Å; T154-L157 HydrophobicContact CG2-CD1 4.26Å; T154-L157 WeakPolarHBondContact O-CA 3.41Å; T154-L157 WeakPolarHBondContact O-CB 3.3Å; T154-L157 PolarHBondContact O-N 2.61Å; T154-D158 WeakPolarHBondContact CB-OD1 3.47Å; T154-D158 VanDerWaalsContact CB-OD2 3.3Å; T154-D158 WeakPolarHBondContact CB-OD2 3.24Å; T154-D158 PolarHBondContact O-N 3.27Å; T154-D158 VanDerWaalsContact OG1-CG 3.23Å; T154-D158 PolarHBondContact OG1-OD1 3.13Å; T154-D158 PolarHBondContact OG1-OD2 3.35Å; T154-D158 VanDerWaalsContact OG1-OD2 3.05Å; T154-K164 HydrophobicContact CG2-CD 4.08Å; T154-K164 VanDerWaalsContact OG1-CD 3.3Å; T154-K164 WeakPolarHBondContact OG1-CD 3.36Å; T154-K164 WeakPolarHBondContact OG1-CE 3.44Å; T154-K164 PolarHBondContact OG1-NZ 2.89Å; T154-A224 HydrophobicContact CG2-CB 4.42Å
155	S	62.3	Low	73.6	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-42.9	-37.6	174	57.7	0	0	0	0	114.9	E153 L157 G159 E160 A756 E775	E153-S155 WeakPolarHBondContact OE1-CB 3.46Å; E153-S155 PolarHBondContact OE1-OG 3.38Å; S155-L157 VanDerWaalsContact C-N 3.3Å; S155-L157 PolarHBondContact O-N 2.86Å; S155-G159 VanDerWaalsContact O-CA 3.32Å; S155-G159 WeakPolarHBondContact O-CA 3.24Å; S155-G159 PolarHBondContact O-N 3.26Å; S155-E160 PolarHBondContact N-O 2.84Å; S155-E160 VanDerWaalsContact N-O 3.1Å; S155-A756 VanDerWaalsContact O-CB 3.3Å; S155-A756 WeakPolarHBondContact O-CB 3.44Å; S155-A756 PolarHBondContact O-N 3.44Å; S155-E775 WeakPolarHBondContact CB-O 3.38Å; S155-E775 PolarHBondContact OG-O 3.31Å
156	N	62.8	Low	73.6	Confident	14 Å²	14	24.3 Å²	24.3	8%	0.075	13%	0.127	C	C	.	.	H	α-helix	trans	-81.2	13.7	174.9	-71.4	-56.5	0	0	0	115.5	T154 G223 L245 Q778	T154-N156 PolarHBondContact O-N 3.41Å; N156-G223 VanDerWaalsContact CB-O 3.3Å; N156-G223 WeakPolarHBondContact CB-O 3.44Å; N156-G223 PolarHBondContact ND2-O 2.86Å; N156-L245 WeakPolarHBondContact O-CD1 3.48Å; N156-Q778 VanDerWaalsContact O-CD 3.25Å; N156-Q778 PolarHBondContact O-NE2 2.82Å; N156-Q778 PolarHBondContact O-OE1 3.21Å
157	L	66.6	Low	73.9	Confident	17 Å²	17	24.2 Å²	24.2	9%	0.089	12%	0.122	C	C	.	.	H	α-helix	trans	-137.4	-48.5	-178.9	-74	149.1	0	0	0	110.8	T154 S155 L197 L221 A224 L245	T154-L157 HydrophobicContact CG2-CD1 4.26Å; T154-L157 WeakPolarHBondContact O-CA 3.41Å; T154-L157 WeakPolarHBondContact O-CB 3.3Å; T154-L157 PolarHBondContact O-N 2.61Å; S155-L157 VanDerWaalsContact C-N 3.3Å; S155-L157 PolarHBondContact O-N 2.86Å; L157-L197 HydrophobicContact CD2-CD2 4.09Å; L157-L221 HydrophobicContact CD1-CB 3.63Å; L157-L221 HydrophobicContact CD1-CD1 4.34Å; L157-L221 HydrophobicContact CD2-CB 3.92Å; L157-L221 HydrophobicContact CD2-CD1 4.14Å; L157-L221 HydrophobicContact CG-CB 4.44Å; L157-A224 HydrophobicContact CD1-CB 3.8Å; L157-L245 HydrophobicContact CD2-CB 3.92Å; L157-L245 HydrophobicContact CD2-CD1 4.08Å; L157-L245 HydrophobicContact CD2-CG 4.48Å
158	D	63.1	Low	74.2	Confident	7 Å²	7	19.5 Å²	19.5	4%	0.037	10%	0.1	C	C	.	.	H	α-helix	trans	-134.5	16.3	-171.7	57	33.3	0	0	0	112.4	T154 E160 K164 L197 Y198 N757	T154-D158 WeakPolarHBondContact CB-OD1 3.47Å; T154-D158 VanDerWaalsContact CB-OD2 3.3Å; T154-D158 WeakPolarHBondContact CB-OD2 3.24Å; T154-D158 PolarHBondContact O-N 3.27Å; T154-D158 VanDerWaalsContact OG1-CG 3.23Å; T154-D158 PolarHBondContact OG1-OD1 3.13Å; T154-D158 PolarHBondContact OG1-OD2 3.35Å; T154-D158 VanDerWaalsContact OG1-OD2 3.05Å; D158-E160 PolarHBondContact O-N 2.91Å; D158-E160 PolarHBondContact OD1-N 3.44Å; D158-K164 IonicContact OD1-NZ 2.76Å; D158-K164 PolarHBondContact OD1-NZ 3.21Å; D158-K164 IonicContact OD2-NZ 2.64Å; D158-K164 PolarHBondContact OD2-NZ 2.95Å; D158-L197 HydrophobicContact CB-CD1 4.38Å; D158-Y198 WeakPolarHBondContact CB-OH 3.35Å; D158-Y198 PolarHBondContact OD2-OH 3.17Å; D158-Y198 VanDerWaalsContact OD2-OH 3.08Å; D158-N757 VanDerWaalsContact C-OD1 3.23Å; D158-N757 PolarHBondContact O-ND2 3.31Å; D158-N757 PolarHBondContact O-OD1 2.88Å
159	G	50.3	Low	74.2	Confident	11 Å²	11	20.2 Å²	20.2	11%	0.113	11%	0.105	C	C	.	.			trans	62	2.6	173.7	0	0	0	0	0	115.9	S155	S155-G159 VanDerWaalsContact O-CA 3.32Å; S155-G159 WeakPolarHBondContact O-CA 3.24Å; S155-G159 PolarHBondContact O-N 3.26Å
160	E	58.4	Low	74	Confident	66 Å²	66	24.7 Å²	24.7	31%	0.308	14%	0.142	S	C	.	.			trans	-88	122.2	-177.6	-69.7	162.1	-117.8	0	0	109.5	S155 D158 N162 K164 Y198	S155-E160 PolarHBondContact N-O 2.84Å; S155-E160 VanDerWaalsContact N-O 3.1Å; D158-E160 PolarHBondContact O-N 2.91Å; D158-E160 PolarHBondContact OD1-N 3.44Å; E160-N162 VanDerWaalsContact C-N 3.28Å; E160-K164 IonicContact OE1-NZ 2.72Å; E160-K164 PolarHBondContact OE1-NZ 3.26Å; E160-K164 VanDerWaalsContact OE1-NZ 3.11Å; E160-K164 WeakPolarHBondContact OE2-CE 3.33Å; E160-K164 IonicContact OE2-NZ 3.94Å; E160-K164 PolarHBondContact OE2-NZ 2.76Å; E160-Y198 PolarHBondContact OE1-OH 2.86Å
161	T	49.6	Very low	73.8	Confident	38 Å²	38	30.9 Å²	30.9	23%	0.233	17%	0.165	C	C	.	.			trans	-82	-9.1	-178.9	57.7	0	0	0	0	112.8	E775	T161-E775 HydrophobicContact CG2-CB 3.99Å; T161-E775 HydrophobicContact CG2-CG 4.19Å; T161-E775 WeakPolarHBondContact CG2-OE1 3.46Å
162	N	62.6	Low	73.8	Confident	53 Å²	53	30.3 Å²	30.3	28%	0.283	16%	0.164	S	C	.	.	S	Bend	trans	-61.3	147.3	173.3	-66.1	-15.4	0	0	0	111.5	E160 K164 E1150	E160-N162 VanDerWaalsContact C-N 3.28Å; N162-K164 PolarHBondContact O-N 3.46Å; N162-E1150 WeakPolarHBondContact CB-OE1 3.41Å; N162-E1150 WeakPolarHBondContact ND2-CG 3.24Å; N162-E1150 PolarHBondContact ND2-OE1 3.01Å
163	L	73.3	Confident	73.7	Confident	50 Å²	50	31.2 Å²	31.2	26%	0.262	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	92.7	175	-69.8	-175.7	0	0	0	110.5	Y151 E153 L165 K227 N228	Y151-L163 HydrophobicContact CD1-CB 4.31Å; E153-L163 HydrophobicContact CB-CD2 4.03Å; L163-L165 PolarHBondContact O-N 3.14Å; L163-K227 HydrophobicContact CD1-CB 4.46Å; L163-K227 HydrophobicContact CD2-CB 3.76Å; L163-K227 HydrophobicContact CD2-CD 3.9Å; L163-K227 HydrophobicContact CD2-CG 4.42Å; L163-N228 HydrophobicContact CD1-CB 4.32Å; L163-N228 VanDerWaalsContact CD1-ND2 3.26Å; L163-N228 WeakPolarHBondContact CD1-ND2 3.42Å
164	K	75.8	Confident	74	Confident	15 Å²	15	33.8 Å²	33.8	7%	0.065	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	117.9	-179.5	-61.9	-167.9	-176.6	176.8	0	110.4	I152 T154 D158 E160 N162 Y198	I152-K164 HydrophobicContact CG1-CB 4.41Å; I152-K164 WeakPolarHBondContact CG1-O 3.45Å; I152-K164 PolarHBondContact N-O 3.2Å; I152-K164 PolarHBondContact O-N 3.01Å; T154-K164 HydrophobicContact CG2-CD 4.08Å; T154-K164 VanDerWaalsContact OG1-CD 3.3Å; T154-K164 WeakPolarHBondContact OG1-CD 3.36Å; T154-K164 WeakPolarHBondContact OG1-CE 3.44Å; T154-K164 PolarHBondContact OG1-NZ 2.89Å; D158-K164 IonicContact OD1-NZ 2.76Å; D158-K164 PolarHBondContact OD1-NZ 3.21Å; D158-K164 IonicContact OD2-NZ 2.64Å; D158-K164 PolarHBondContact OD2-NZ 2.95Å; E160-K164 IonicContact OE1-NZ 2.72Å; E160-K164 PolarHBondContact OE1-NZ 3.26Å; E160-K164 VanDerWaalsContact OE1-NZ 3.11Å; E160-K164 WeakPolarHBondContact OE2-CE 3.33Å; E160-K164 IonicContact OE2-NZ 3.94Å; E160-K164 PolarHBondContact OE2-NZ 2.76Å; N162-K164 PolarHBondContact O-N 3.46Å; K164-Y198 PolarHBondContact NZ-OH 2.87Å
165	L	83.2	Confident	74.6	Confident	22 Å²	22	35 Å²	35	12%	0.115	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.5	178.4	-178	53.3	0	0	0	110.4	M149 Y151 L163 C1154 V1155 M1160	M149-L165 HydrophobicContact CB-CD1 3.88Å; M149-L165 HydrophobicContact CG-CD1 4.11Å; M149-L165 HydrophobicContact SD-CD1 4.22Å; M149-L165 HydrophobicContact SD-CD2 4.19Å; Y151-L165 HydrophobicContact CD1-CB 4.18Å; Y151-L165 HydrophobicContact CD1-CD1 3.96Å; Y151-L165 HydrophobicContact CE1-CB 4.27Å; Y151-L165 HydrophobicContact CE1-CD1 3.84Å; Y151-L165 HydrophobicContact CE1-CD2 4.27Å; Y151-L165 HydrophobicContact CE1-CG 4.36Å; Y151-L165 HydrophobicContact CG-CD1 4.43Å; L163-L165 PolarHBondContact O-N 3.14Å; L165-C1154 PolarHBondContact O-SG 2.69Å; L165-V1155 HydrophobicContact CD2-CB 3.69Å; L165-V1155 HydrophobicContact CD2-CG1 4.36Å; L165-V1155 HydrophobicContact CD2-CG2 3.78Å; L165-V1155 HydrophobicContact CG-CG2 4.22Å; L165-M1160 HydrophobicContact CD2-CE 4.02Å
166	R	87.1	Confident	75.7	Confident	27 Å²	27	38 Å²	38	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.9	175.6	-62.7	-73.6	173.3	-170.7	-10.6	109.4	L140 M149 A150 I152 P216 D217 L220	L140-R166 HydrophobicContact CD2-CB 4.19Å; M149-R166 CarbonylContact C-O 3.57Å; M149-R166 WeakPolarHBondContact CA-O 3.38Å; A150-R166 PolarHBondContact N-O 3.25Å; A150-R166 PolarHBondContact O-N 3.38Å; I152-R166 HydrophobicContact CD1-CG 3.83Å; I152-R166 HydrophobicContact CG1-CG 3.91Å; R166-P216 PolarHBondContact NH1-O 2.83Å; R166-D217 WeakPolarHBondContact CB-O 3.38Å; R166-L220 HydrophobicContact CB-CD2 3.58Å; R166-L220 HydrophobicContact CG-CD2 3.56Å
167	K	87	Confident	76.7	Confident	52 Å²	52	40.2 Å²	40.2	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.9	-172.3	-170.8	169.4	-169.6	165.2	0	111.5	D217 Q218 V1155	K167-D217 PolarHBondContact N-O 3.48Å; K167-Q218 WeakPolarHBondContact O-CG 3.49Å; K167-Q218 PolarHBondContact O-NE2 3.22Å; K167-V1155 HydrophobicContact CD-CG2 3.92Å
168	G	87.3	Confident	77.4	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	25%	0.245	C	C	.	.			trans	-64.3	168.6	172.3	0	0	0	0	0	112.4	L140 A148 A170	L140-G168 WeakPolarHBondContact O-CA 3.5Å; A148-G168 PolarHBondContact O-N 3.48Å; G168-A170 PolarHBondContact O-N 3.36Å
169	S	86.7	Confident	78.4	Confident	19 Å²	19	47.8 Å²	47.8	13%	0.133	27%	0.271	C	S	.	.			trans	-68.5	135.2	176.5	179.7	0	0	0	0	111.1	R171 T172 A173 V212	S169-R171 PolarHBondContact O-N 3.36Å; S169-R171 PolarHBondContact OG-N 2.71Å; S169-T172 PolarHBondContact O-N 2.89Å; S169-T172 PolarHBondContact O-OG1 3.14Å; S169-T172 VanDerWaalsContact O-OG1 3.09Å; S169-A173 PolarHBondContact O-N 2.77Å; S169-V212 WeakPolarHBondContact OG-CG1 3.47Å
170	A	84.2	Confident	80	Confident	93 Å²	93	48.8 Å²	48.8	77%	0.769	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.9	173.2	0	0	0	0	0	113.2	G168	G168-A170 PolarHBondContact O-N 3.36Å
171	R	84.8	Confident	81.3	Confident	130 Å²	130	45.7 Å²	45.7	49%	0.491	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-33.1	175	-57.1	-162	-177.8	-141.8	0.8	113.8	S169 D209 V212	S169-R171 PolarHBondContact O-N 3.36Å; S169-R171 PolarHBondContact OG-N 2.71Å; R171-D209 VanDerWaalsContact CD-OD2 3.25Å; R171-D209 WeakPolarHBondContact CD-OD2 3.32Å; R171-D209 IonicContact CZ-OD2 2.71Å; R171-D209 IonicContact NE-OD2 2.75Å; R171-D209 IonicContact NH1-OD1 3.56Å; R171-D209 PolarHBondContact NH1-OD1 3.21Å; R171-D209 IonicContact NH1-OD2 2.62Å; R171-D209 PolarHBondContact NH1-OD2 2.9Å; R171-V212 HydrophobicContact CG-CG2 4.44Å
172	T	86.1	Confident	83	Confident	4 Å²	4	50 Å²	50	3%	0.025	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-16.1	179.1	52.2	0	0	0	0	112.7	L141 S169 G174 L175 F184 L204	L141-T172 HydrophobicContact CD2-CG2 4.24Å; L141-T172 CarbonylContact O-C 3.43Å; L141-T172 VanDerWaalsContact O-C 3.3Å; L141-T172 WeakPolarHBondContact O-CB 3.48Å; L141-T172 PolarHBondContact O-OG1 2.73Å; S169-T172 PolarHBondContact O-N 2.89Å; S169-T172 PolarHBondContact O-OG1 3.14Å; S169-T172 VanDerWaalsContact O-OG1 3.09Å; T172-G174 PolarHBondContact O-N 3.05Å; T172-L175 HydrophobicContact CG2-CD1 4.29Å; T172-L175 WeakPolarHBondContact O-CB 3.34Å; T172-L175 WeakPolarHBondContact O-CG 3.36Å; T172-L175 PolarHBondContact O-N 3.33Å; T172-F184 HydrophobicContact CG2-CZ 4.18Å; T172-L204 HydrophobicContact CG2-CD2 3.86Å
173	A	85	Confident	84	Confident	21 Å²	21	54.5 Å²	54.5	17%	0.174	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.4	-179.2	0	0	0	0	0	115.1	A148 S169 L176	A148-A173 HydrophobicContact CB-CB 3.61Å; S169-A173 PolarHBondContact O-N 2.77Å; A173-L176 WeakPolarHBondContact O-CD2 3.42Å
174	G	84.3	Confident	84.6	Confident	63 Å²	63	53.5 Å²	53.5	65%	0.649	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.1	177.2	0	0	0	0	0	115.7	T172 L176	T172-G174 PolarHBondContact O-N 3.05Å; G174-L176 PolarHBondContact O-N 3.36Å
175	L	85.6	Confident	85.1	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.147	30%	0.303	C	S	.	.			trans	-80.6	51.1	-174.6	-60.2	173.2	0	0	0	112.9	C142 T172 T177 A180 L181 F184	C142-L175 PolarHBondContact SG-O 3.46Å; T172-L175 HydrophobicContact CG2-CD1 4.29Å; T172-L175 WeakPolarHBondContact O-CB 3.34Å; T172-L175 WeakPolarHBondContact O-CG 3.36Å; T172-L175 PolarHBondContact O-N 3.33Å; L175-T177 VanDerWaalsContact C-N 3.34Å; L175-T177 PolarHBondContact O-N 3.41Å; L175-A180 HydrophobicContact CD2-CB 4.03Å; L175-L181 HydrophobicContact CB-CD2 4.07Å; L175-L181 HydrophobicContact CD1-CD2 4.31Å; L175-F184 HydrophobicContact CD1-CB 4.37Å; L175-F184 HydrophobicContact CD1-CD1 4.3Å; L175-F184 HydrophobicContact CD1-CD2 3.76Å; L175-F184 HydrophobicContact CD1-CE2 4.07Å; L175-F184 HydrophobicContact CD1-CG 3.89Å; L175-F184 HydrophobicContact CD1-CZ 4.47Å; L175-F184 HydrophobicContact CD2-CD2 4.49Å
176	L	85	Confident	85.2	Confident	64 Å²	64	55.1 Å²	55.1	34%	0.335	30%	0.304	S	S	.	.			trans	-78.7	-5.5	-168.1	-58.2	177.3	0	0	0	115.5	C142 A173 G174 W231	C142-L176 HydrophobicContact CB-CD2 4.37Å; A173-L176 WeakPolarHBondContact O-CD2 3.42Å; G174-L176 PolarHBondContact O-N 3.36Å; L176-W231 HydrophobicContact CD2-CH2 3.86Å
177	T	84.7	Confident	85.4	Confident	62 Å²	62	56.6 Å²	56.6	38%	0.38	32%	0.316	S	S	.	.	S	Bend	trans	-120	152.2	179.7	63.8	0	0	0	0	112	L175 E179 A180 L181	L175-T177 VanDerWaalsContact C-N 3.34Å; L175-T177 PolarHBondContact O-N 3.41Å; T177-E179 VanDerWaalsContact C-N 3.25Å; T177-E179 PolarHBondContact O-N 2.74Å; T177-A180 PolarHBondContact O-N 2.88Å; T177-A180 WeakPolarHBondContact OG1-CB 3.48Å; T177-A180 PolarHBondContact OG1-N 3.41Å; T177-L181 PolarHBondContact O-N 2.83Å; T177-L181 VanDerWaalsContact O-N 3.17Å
178	H	82.3	Confident	85.5	Confident	58 Å²	58	56 Å²	56	27%	0.269	32%	0.317	S	S	.	.	H	α-helix	trans	-56.5	-37.3	174.3	61.4	-78.5	0	0	0	113.2	L107 G110 L181 Y182 N1174	L107-H178 HydrophobicContact CD1-CB 4.11Å; G110-H178 PolarHBondContact O-CD2 3.06Å; H178-L181 PolarHBondContact O-N 2.89Å; H178-Y182 WeakPolarHBondContact O-CB 3.35Å; H178-Y182 PolarHBondContact O-N 3.06Å; H178-N1174 VanDerWaalsContact CB-OXT 3.28Å; H178-N1174 WeakPolarHBondContact CB-OXT 3.34Å; H178-N1174 PolarHBondContact N-O 2.96Å; H178-N1174 PolarHBondContact N-OXT 2.93Å; H178-N1174 PolarHBondContact ND1-O 3.19Å; H178-N1174 PolarHBondContact ND1-OXT 2.9Å
179	E	83.1	Confident	85.7	Confident	125 Å²	125	60.6 Å²	60.6	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-46.8	177.3	-58.3	-173.8	145.3	0	0	111.6	T177 L181 Y182 H183	T177-E179 VanDerWaalsContact C-N 3.25Å; T177-E179 PolarHBondContact O-N 2.74Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 3.21Å; E179-Y182 PolarHBondContact O-N 2.99Å; E179-H183 PolarHBondContact O-CD2 3.31Å; E179-H183 PolarHBondContact O-N 3.42Å; E179-H183 VanDerWaalsContact O-N 3.07Å
180	A	84.5	Confident	85.8	Confident	32 Å²	32	62.4 Å²	62.4	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-40.1	179.2	0	0	0	0	0	111.8	L175 T177 F184	L175-A180 HydrophobicContact CD2-CB 4.03Å; T177-A180 PolarHBondContact O-N 2.88Å; T177-A180 WeakPolarHBondContact OG1-CB 3.48Å; T177-A180 PolarHBondContact OG1-N 3.41Å; A180-F184 PolarHBondContact O-N 2.68Å; A180-F184 VanDerWaalsContact O-N 3.11Å
181	L	85.2	Confident	86.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-38.6	172.1	-78.7	-174.8	0	0	0	113.3	L107 W112 L125 L141 L175 T177 H178 E179 H183 F184 F233	L107-L181 HydrophobicContact CD2-CB 3.85Å; W112-L181 HydrophobicContact CH2-CD1 3.71Å; W112-L181 HydrophobicContact CZ2-CD1 3.75Å; L125-L181 HydrophobicContact CD1-CB 4.41Å; L141-L181 HydrophobicContact CD1-CD2 4.16Å; L175-L181 HydrophobicContact CB-CD2 4.07Å; L175-L181 HydrophobicContact CD1-CD2 4.31Å; T177-L181 PolarHBondContact O-N 2.83Å; T177-L181 VanDerWaalsContact O-N 3.17Å; H178-L181 PolarHBondContact O-N 2.89Å; E179-L181 VanDerWaalsContact C-N 3.35Å; E179-L181 PolarHBondContact O-N 3.21Å; L181-H183 VanDerWaalsContact C-N 3.31Å; L181-H183 PolarHBondContact O-N 3.09Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 3.41Å; L181-F184 VanDerWaalsContact O-N 3.11Å; L181-F233 HydrophobicContact CD1-CB 3.97Å; L181-F233 HydrophobicContact CD1-CD1 4.4Å; L181-F233 HydrophobicContact CD1-CD2 3.31Å; L181-F233 HydrophobicContact CD1-CE2 3.82Å; L181-F233 HydrophobicContact CD1-CG 3.66Å; L181-F233 HydrophobicContact CD2-CD2 4.38Å; L181-F233 HydrophobicContact CG-CD2 3.94Å; L181-F233 HydrophobicContact CG-CE2 4.39Å
182	Y	84.8	Confident	86.4	Confident	128 Å²	128	58.5 Å²	58.5	50%	0.502	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-36.3	-178.9	-176.3	-107.9	0	0	0	111.9	H178 E179	H178-Y182 WeakPolarHBondContact O-CB 3.35Å; H178-Y182 PolarHBondContact O-N 3.06Å; E179-Y182 PolarHBondContact O-N 2.99Å
183	H	84.4	Confident	86.4	Confident	147 Å²	147	60.6 Å²	60.6	68%	0.681	35%	0.347	S	S	*	.	H	α-helix	trans	-78.7	-15.3	172	-70.4	-63.6	0	0	0	114	E179 L181 T185	E179-H183 PolarHBondContact O-CD2 3.31Å; E179-H183 PolarHBondContact O-N 3.42Å; E179-H183 VanDerWaalsContact O-N 3.07Å; L181-H183 VanDerWaalsContact C-N 3.31Å; L181-H183 PolarHBondContact O-N 3.09Å; H183-T185 PolarHBondContact O-N 2.77Å
184	F	84.6	Confident	86.5	Confident	29 Å²	29	61.4 Å²	61.4	13%	0.127	35%	0.347	C	S	.	.			trans	-68.7	125.5	177.6	-170.6	-111.7	0	0	0	111.5	F2 T172 L175 A180 L181 L204 P206	F2-F184 HydrophobicContact CZ-CD1 4.06Å; F2-F184 AromaticContact CZ-CE1 3.98Å; F2-F184 HydrophobicContact CZ-CE1 3.98Å; T172-F184 HydrophobicContact CG2-CZ 4.18Å; L175-F184 HydrophobicContact CD1-CB 4.37Å; L175-F184 HydrophobicContact CD1-CD1 4.3Å; L175-F184 HydrophobicContact CD1-CD2 3.76Å; L175-F184 HydrophobicContact CD1-CE2 4.07Å; L175-F184 HydrophobicContact CD1-CG 3.89Å; L175-F184 HydrophobicContact CD1-CZ 4.47Å; L175-F184 HydrophobicContact CD2-CD2 4.49Å; A180-F184 PolarHBondContact O-N 2.68Å; A180-F184 VanDerWaalsContact O-N 3.11Å; L181-F184 WeakPolarHBondContact O-CB 3.45Å; L181-F184 PolarHBondContact O-N 3.41Å; L181-F184 VanDerWaalsContact O-N 3.11Å; F184-L204 HydrophobicContact CE1-CD1 4.33Å; F184-L204 HydrophobicContact CZ-CD1 4.3Å; F184-L204 HydrophobicContact CZ-CD2 4.22Å; F184-P206 HydrophobicContact CE2-CB 4.03Å; F184-P206 HydrophobicContact CE2-CG 4.29Å; F184-P206 HydrophobicContact CZ-CB 4.26Å; F184-P206 HydrophobicContact CZ-CG 4.21Å
185	T	86.8	Confident	86.4	Confident	58 Å²	58	65.6 Å²	65.6	36%	0.356	34%	0.344	S	S	.	.			trans	-138.6	151.8	-178.6	54.1	0	0	0	0	110.8	H183 P206 T207	H183-T185 PolarHBondContact O-N 2.77Å; T185-P206 CarbonylContact O-C 3.43Å; T185-P206 WeakPolarHBondContact O-CA 3.46Å; T185-T207 VanDerWaalsContact CB-OG1 3.31Å; T185-T207 WeakPolarHBondContact CB-OG1 3.46Å; T185-T207 PolarHBondContact O-N 2.97Å; T185-T207 PolarHBondContact O-OG1 2.74Å; T185-T207 VanDerWaalsContact O-OG1 3.12Å; T185-T207 PolarHBondContact OG1-OG1 2.72Å
186	G	86	Confident	86.1	Confident	13 Å²	13	71.7 Å²	71.7	13%	0.134	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-161.7	178.5	0	0	0	0	0	112	F2 K205 T207	F2-G186 WeakPolarHBondContact CD1-O 3.35Å; F2-G186 WeakPolarHBondContact CE1-O 3.13Å; G186-K205 CarbonylContact C-O 3.59Å; G186-K205 WeakPolarHBondContact CA-O 3.38Å; G186-T207 PolarHBondContact N-OG1 2.56Å
187	T	90.4	Very high	85.8	Confident	58 Å²	58	70.4 Å²	70.4	36%	0.356	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	158.2	165.9	58.3	0	0	0	0	110.6	K205	T187-K205 PolarHBondContact N-O 3.35Å; T187-K205 PolarHBondContact O-N 3.24Å
188	V	89.9	Confident	85.5	Confident	39 Å²	39	73.1 Å²	73.1	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.4	164.5	173.8	0	0	0	0	107.8	T203 L204 L214 L235	V188-T203 WeakPolarHBondContact CA-O 3.49Å; V188-L204 HydrophobicContact CG2-CB 4.33Å; V188-L204 HydrophobicContact CG2-CD1 3.63Å; V188-L214 HydrophobicContact CG1-CD1 4.04Å; V188-L235 HydrophobicContact CG2-CD2 3.6Å
189	E	90.7	Very high	85.7	Confident	101 Å²	101	74.5 Å²	74.5	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.4	168.9	-73	162.5	-145.7	0	0	107.5	G202 T203 K205	E189-G202 CarbonylContact O-C 3.39Å; E189-G202 WeakPolarHBondContact O-CA 3.4Å; E189-T203 PolarHBondContact N-O 3.16Å; E189-T203 PolarHBondContact O-N 2.84Å; E189-K205 WeakPolarHBondContact OE1-CE 3.5Å; E189-K205 IonicContact OE1-NZ 2.67Å; E189-K205 PolarHBondContact OE1-NZ 2.91Å; E189-K205 WeakPolarHBondContact OE2-CE 3.4Å; E189-K205 IonicContact OE2-NZ 2.86Å; E189-K205 PolarHBondContact OE2-NZ 3.43Å
190	C	89.9	Confident	86	Confident	57 Å²	57	68.9 Å²	68.9	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.2	-178.4	57.7	0	0	0	0	110.3	F200	C190-F200 HydrophobicContact CB-CE2 3.97Å; C190-F200 HydrophobicContact CB-CZ 3.9Å
191	E	90.3	Very high	86.3	Confident	64 Å²	64	72 Å²	72	30%	0.299	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72.9	170.2	178.4	68.1	-167.9	129	0	0	113.9	H194 F200 T201 Y238	E191-H194 IonicContact OE1-NE2 2.94Å; E191-H194 PolarHBondContact OE1-NE2 3.16Å; E191-H194 IonicContact OE2-NE2 2.74Å; E191-F200 VanDerWaalsContact OE1-CA 3.3Å; E191-F200 WeakPolarHBondContact OE1-CA 3.39Å; E191-T201 PolarHBondContact N-O 2.88Å; E191-T201 PolarHBondContact OE1-N 3.17Å; E191-T201 PolarHBondContact OE1-OG1 3.42Å; E191-Y238 PolarHBondContact O-OH 2.92Å
192	A	89.8	Confident	86.6	Confident	76 Å²	76	72.2 Å²	72.2	63%	0.628	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-70.9	144.3	175.1	0	0	0	0	0	111.1	H194	A192-H194 PolarHBondContact O-CD2 2.9Å; A192-H194 PolarHBondContact O-N 3.24Å
193	P	86.9	Confident	87	Confident	48 Å²	48	68.3 Å²	68.3	31%	0.312	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-61.4	129.3	-175	25	-34.8	0	0	0	112	Y238 E242 L247	P193-Y238 HydrophobicContact CB-CD1 3.93Å; P193-Y238 HydrophobicContact CB-CE1 3.94Å; P193-Y238 HydrophobicContact CB-CG 4.32Å; P193-Y238 HydrophobicContact CG-CD1 4.41Å; P193-Y238 HydrophobicContact CG-CE1 4.39Å; P193-E242 HydrophobicContact CB-CB 4.08Å; P193-E242 VanDerWaalsContact CB-O 3.27Å; P193-E242 WeakPolarHBondContact CB-O 3.44Å; P193-E242 HydrophobicContact CG-CB 4.05Å; P193-E242 HydrophobicContact CG-CG 4.33Å; P193-L247 HydrophobicContact CB-CD1 4.1Å
194	H	88.1	Confident	87.3	Confident	38 Å²	38	61.4 Å²	61.4	18%	0.176	32%	0.319	C	S	.	.			trans	-145.3	154	-169.6	67.4	116.4	0	0	0	112	E191 A192 R196 E199 K244	E191-H194 IonicContact OE1-NE2 2.94Å; E191-H194 PolarHBondContact OE1-NE2 3.16Å; E191-H194 IonicContact OE2-NE2 2.74Å; A192-H194 PolarHBondContact O-CD2 2.9Å; A192-H194 PolarHBondContact O-N 3.24Å; H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 3.02Å; H194-E199 PolarHBondContact CE1-O 3.49Å; H194-E199 PolarHBondContact NE2-O 3.01Å; H194-K244 PolarHBondContact CD2-NZ 2.96Å; H194-K244 PolarHBondContact CE1-NZ 3.23Å; H194-K244 VanDerWaalsContact CE1-NZ 3.32Å; H194-K244 PolarHBondContact NE2-NZ 2.9Å
195	R	81.1	Confident	87.5	Confident	151 Å²	151	63.7 Å²	63.7	57%	0.57	33%	0.328	S	S	*	.	S	Bend	trans	-66.2	-17.6	-170.7	-79.7	-179.3	169.1	168.8	-6.9	116.7	L197 L247 N248	R195-L197 PolarHBondContact O-N 3.44Å; R195-L247 HydrophobicContact CG-CB 3.93Å; R195-L247 PolarHBondContact NE-O 3.35Å; R195-L247 PolarHBondContact NH2-O 2.94Å; R195-L247 VanDerWaalsContact NH2-O 3.09Å; R195-N248 WeakPolarHBondContact CB-OD1 3.41Å; R195-N248 WeakPolarHBondContact CG-OD1 3.15Å; R195-N248 PolarHBondContact O-ND2 3.41Å; R195-N248 PolarHBondContact O-OD1 3.35Å
196	R	80.5	Confident	87.5	Confident	156 Å²	156	61.7 Å²	61.7	59%	0.589	32%	0.317	S	S	*	.			trans	-76.7	114.2	-172.6	-59.8	177.7	-176.4	170.1	-3.7	109.6	H194 E199 K244	H194-R196 VanDerWaalsContact C-N 3.31Å; H194-R196 PolarHBondContact O-N 3.02Å; R196-E199 HydrophobicContact CB-CB 4.14Å; R196-E199 HydrophobicContact CB-CG 4.44Å; R196-E199 VanDerWaalsContact CD-OE1 3.24Å; R196-E199 WeakPolarHBondContact CD-OE1 3.32Å; R196-E199 WeakPolarHBondContact CD-OE2 3.16Å; R196-E199 IonicContact CZ-OE1 2.72Å; R196-E199 IonicContact CZ-OE2 2.7Å; R196-E199 IonicContact NE-OE1 3.84Å; R196-E199 IonicContact NE-OE2 2.69Å; R196-E199 IonicContact NH1-OE1 3.65Å; R196-E199 PolarHBondContact NH1-OE1 3.3Å; R196-E199 IonicContact NH1-OE2 3.45Å; R196-E199 PolarHBondContact NH1-OE2 2.65Å; R196-K244 PolarHBondContact O-NZ 3.3Å
197	L	78.1	Confident	87.3	Confident	38 Å²	38	65.3 Å²	65.3	20%	0.199	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-43.3	-174.8	-66.2	173.7	0	0	0	112.7	L157 D158 R195 L221 K244	L157-L197 HydrophobicContact CD2-CD2 4.09Å; D158-L197 HydrophobicContact CB-CD1 4.38Å; R195-L197 PolarHBondContact O-N 3.44Å; L197-L221 HydrophobicContact CB-CD1 4.36Å; L197-L221 HydrophobicContact CD2-CD1 3.98Å; L197-K244 HydrophobicContact CD2-CB 4.06Å
198	Y	78	Confident	86.6	Confident	118 Å²	118	70 Å²	70	46%	0.463	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.2	-171.7	-59.4	-54.2	0	0	0	115.2	D158 E160 K164 P216	D158-Y198 WeakPolarHBondContact CB-OH 3.35Å; D158-Y198 PolarHBondContact OD2-OH 3.17Å; D158-Y198 VanDerWaalsContact OD2-OH 3.08Å; E160-Y198 PolarHBondContact OE1-OH 2.86Å; K164-Y198 PolarHBondContact NZ-OH 2.87Å; Y198-P216 WeakPolarHBondContact O-CB 3.19Å
199	E	85.5	Confident	86	Confident	88 Å²	88	71.8 Å²	71.8	41%	0.411	37%	0.367	S	S	.	.			trans	-105.4	130.3	175.2	-73.7	175.1	-152.3	0	0	110	H194 R196 K244	H194-E199 PolarHBondContact CE1-O 3.49Å; H194-E199 PolarHBondContact NE2-O 3.01Å; R196-E199 HydrophobicContact CB-CB 4.14Å; R196-E199 HydrophobicContact CB-CG 4.44Å; R196-E199 VanDerWaalsContact CD-OE1 3.24Å; R196-E199 WeakPolarHBondContact CD-OE1 3.32Å; R196-E199 WeakPolarHBondContact CD-OE2 3.16Å; R196-E199 IonicContact CZ-OE1 2.72Å; R196-E199 IonicContact CZ-OE2 2.7Å; R196-E199 IonicContact NE-OE1 3.84Å; R196-E199 IonicContact NE-OE2 2.69Å; R196-E199 IonicContact NH1-OE1 3.65Å; R196-E199 PolarHBondContact NH1-OE1 3.3Å; R196-E199 IonicContact NH1-OE2 3.45Å; R196-E199 PolarHBondContact NH1-OE2 2.65Å; E199-K244 PolarHBondContact O-NZ 3Å
200	F	89.7	Confident	85.7	Confident	7 Å²	7	72.6 Å²	72.6	3%	0.031	37%	0.374	C	S	.	.			trans	-155.1	132.9	167.8	179.3	-111.9	0	0	0	110.2	V139 C190 E191 L214 G215 L219 Y238	V139-F200 HydrophobicContact CG2-CE1 4.25Å; V139-F200 HydrophobicContact CG2-CZ 4.42Å; C190-F200 HydrophobicContact CB-CE2 3.97Å; C190-F200 HydrophobicContact CB-CZ 3.9Å; E191-F200 VanDerWaalsContact OE1-CA 3.3Å; E191-F200 WeakPolarHBondContact OE1-CA 3.39Å; F200-L214 HydrophobicContact CE1-CB 3.96Å; F200-G215 WeakPolarHBondContact O-CA 3.27Å; F200-L219 HydrophobicContact CB-CB 4.43Å; F200-L219 HydrophobicContact CB-CD2 3.71Å; F200-L219 HydrophobicContact CD1-CB 4.06Å; F200-L219 HydrophobicContact CD1-CD1 4.31Å; F200-L219 HydrophobicContact CD1-CD2 4.26Å; F200-L219 HydrophobicContact CD1-CG 4.44Å; F200-L219 HydrophobicContact CD2-CD1 4.44Å; F200-L219 HydrophobicContact CD2-CD2 3.92Å; F200-L219 HydrophobicContact CE1-CD1 4.25Å; F200-L219 HydrophobicContact CE2-CD1 4.38Å; F200-L219 HydrophobicContact CG-CB 4.31Å; F200-L219 HydrophobicContact CG-CD1 4.4Å; F200-L219 HydrophobicContact CG-CD2 3.71Å; F200-L219 HydrophobicContact CG-CG 4.36Å; F200-L219 HydrophobicContact CZ-CD1 4.28Å; F200-Y238 HydrophobicContact CD2-CE2 4.48Å; F200-Y238 HydrophobicContact CE2-CE2 4.1Å
201	T	92.5	Very high	85.5	Confident	96 Å²	96	72.7 Å²	72.7	59%	0.589	38%	0.379	S	S	*	.			trans	-126.8	119.7	177.9	-46.4	0	0	0	0	109.9	E191	E191-T201 PolarHBondContact N-O 2.88Å; E191-T201 PolarHBondContact OE1-N 3.17Å; E191-T201 PolarHBondContact OE1-OG1 3.42Å
202	G	90.9	Very high	85.4	Confident	6 Å²	6	70.1 Å²	70.1	6%	0.062	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	178.9	174.8	0	0	0	0	0	113.9	E189 L214	E189-G202 CarbonylContact O-C 3.39Å; E189-G202 WeakPolarHBondContact O-CA 3.4Å; G202-L214 PolarHBondContact N-O 2.76Å; G202-L214 PolarHBondContact O-N 2.9Å
203	T	92.7	Very high	85.5	Confident	47 Å²	47	71.3 Å²	71.3	29%	0.288	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	119	177.1	-62.2	0	0	0	0	109.5	V188 E189 K205 A211 V212	V188-T203 WeakPolarHBondContact CA-O 3.49Å; E189-T203 PolarHBondContact N-O 3.16Å; E189-T203 PolarHBondContact O-N 2.84Å; T203-K205 HydrophobicContact CG2-CG 3.97Å; T203-A211 HydrophobicContact CG2-CB 3.82Å; T203-V212 CarbonylContact C-O 3.47Å; T203-V212 WeakPolarHBondContact CA-O 3.44Å
204	L	91.1	Very high	85.6	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.8	169.8	170.7	63.5	0	0	0	108.7	L141 T172 F184 V188 P206 A211 V212 L214	L141-L204 HydrophobicContact CD2-CD2 4.38Å; T172-L204 HydrophobicContact CG2-CD2 3.86Å; F184-L204 HydrophobicContact CE1-CD1 4.33Å; F184-L204 HydrophobicContact CZ-CD1 4.3Å; F184-L204 HydrophobicContact CZ-CD2 4.22Å; V188-L204 HydrophobicContact CG2-CB 4.33Å; V188-L204 HydrophobicContact CG2-CD1 3.63Å; L204-P206 HydrophobicContact CG-CG 4.36Å; L204-A211 CarbonylContact O-C 3.6Å; L204-A211 WeakPolarHBondContact O-CA 3.33Å; L204-V212 HydrophobicContact CB-CB 4.34Å; L204-V212 PolarHBondContact N-O 2.67Å; L204-V212 PolarHBondContact O-N 2.76Å; L204-L214 HydrophobicContact CB-CD1 4.11Å; L204-L214 HydrophobicContact CB-CD2 4.16Å; L204-L214 HydrophobicContact CB-CG 4.22Å
205	K	89.4	Confident	85.7	Confident	76 Å²	76	68.5 Å²	68.5	33%	0.33	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	90.1	178.1	-59.8	-177.8	-173.9	172.2	0	109	G186 T187 E189 T203 A211	G186-K205 CarbonylContact C-O 3.59Å; G186-K205 WeakPolarHBondContact CA-O 3.38Å; T187-K205 PolarHBondContact N-O 3.35Å; T187-K205 PolarHBondContact O-N 3.24Å; E189-K205 WeakPolarHBondContact OE1-CE 3.5Å; E189-K205 IonicContact OE1-NZ 2.67Å; E189-K205 PolarHBondContact OE1-NZ 2.91Å; E189-K205 WeakPolarHBondContact OE2-CE 3.4Å; E189-K205 IonicContact OE2-NZ 2.86Å; E189-K205 PolarHBondContact OE2-NZ 3.43Å; T203-K205 HydrophobicContact CG2-CG 3.97Å; K205-A211 HydrophobicContact CG-CB 4.08Å
206	P	85.3	Confident	86	Confident	17 Å²	17	63.3 Å²	63.3	11%	0.11	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	146.6	173.5	-16.2	31	0	0	0	110.2	F184 T185 L204 N208 D209	F184-P206 HydrophobicContact CE2-CB 4.03Å; F184-P206 HydrophobicContact CE2-CG 4.29Å; F184-P206 HydrophobicContact CZ-CB 4.26Å; F184-P206 HydrophobicContact CZ-CG 4.21Å; T185-P206 CarbonylContact O-C 3.43Å; T185-P206 WeakPolarHBondContact O-CA 3.46Å; L204-P206 HydrophobicContact CG-CG 4.36Å; P206-N208 PolarHBondContact O-N 2.84Å; P206-N208 VanDerWaalsContact O-N 3.15Å; P206-D209 HydrophobicContact CB-CB 4.05Å; P206-D209 HydrophobicContact CG-CB 4.21Å; P206-D209 PolarHBondContact O-N 2.86Å
207	T	82.1	Confident	86.3	Confident	89 Å²	89	59.1 Å²	59.1	55%	0.546	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.7	-174.9	-49	0	0	0	0	113.2	T185 G186	T185-T207 VanDerWaalsContact CB-OG1 3.31Å; T185-T207 WeakPolarHBondContact CB-OG1 3.46Å; T185-T207 PolarHBondContact O-N 2.97Å; T185-T207 PolarHBondContact O-OG1 2.74Å; T185-T207 VanDerWaalsContact O-OG1 3.12Å; T185-T207 PolarHBondContact OG1-OG1 2.72Å; G186-T207 PolarHBondContact N-OG1 2.56Å
208	N	76.1	Confident	86.9	Confident	157 Å²	157	58.8 Å²	58.8	84%	0.84	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	17.8	-171.7	-63.8	-10.4	0	0	0	113.3	P206	P206-N208 PolarHBondContact O-N 2.84Å; P206-N208 VanDerWaalsContact O-N 3.15Å
209	D	77.7	Confident	87.6	Confident	76 Å²	76	53.4 Å²	53.4	41%	0.406	31%	0.309	S	S	.	.	S	Bend	trans	-144.2	166.7	179.8	-168	24.2	0	0	0	112.2	R171 P206	R171-D209 VanDerWaalsContact CD-OD2 3.25Å; R171-D209 WeakPolarHBondContact CD-OD2 3.32Å; R171-D209 IonicContact CZ-OD2 2.71Å; R171-D209 IonicContact NE-OD2 2.75Å; R171-D209 IonicContact NH1-OD1 3.56Å; R171-D209 PolarHBondContact NH1-OD1 3.21Å; R171-D209 IonicContact NH1-OD2 2.62Å; R171-D209 PolarHBondContact NH1-OD2 2.9Å; P206-D209 HydrophobicContact CB-CB 4.05Å; P206-D209 HydrophobicContact CG-CB 4.21Å; P206-D209 PolarHBondContact O-N 2.86Å
210	L	83.4	Confident	87.9	Confident	117 Å²	117	49.2 Å²	49.2	61%	0.613	29%	0.289	S	S	*	.			trans	-60.6	148.4	176.8	-66.7	166	0	0	0	112	V212	L210-V212 PolarHBondContact O-N 2.64Å
211	A	86.6	Confident	88	Confident	60 Å²	60	49.4 Å²	49.4	50%	0.496	29%	0.291	S	S	.	.			trans	-60.5	135.3	174.5	0	0	0	0	0	111.7	T203 L204 K205	T203-A211 HydrophobicContact CG2-CB 3.82Å; L204-A211 CarbonylContact O-C 3.6Å; L204-A211 WeakPolarHBondContact O-CA 3.33Å; K205-A211 HydrophobicContact CG-CB 4.08Å
212	V	87.7	Confident	87.7	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.8	179.9	175.2	0	0	0	0	108.5	S169 R171 T203 L204 L210	S169-V212 WeakPolarHBondContact OG-CG1 3.47Å; R171-V212 HydrophobicContact CG-CG2 4.44Å; T203-V212 CarbonylContact C-O 3.47Å; T203-V212 WeakPolarHBondContact CA-O 3.44Å; L204-V212 HydrophobicContact CB-CB 4.34Å; L204-V212 PolarHBondContact N-O 2.67Å; L204-V212 PolarHBondContact O-N 2.76Å; L210-V212 PolarHBondContact O-N 2.64Å
213	P	91.5	Very high	87.1	Confident	102 Å²	102	46 Å²	46	66%	0.662	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	143.4	173.2	29.7	-34.3	0	0	0	110.2
214	L	90.6	Very high	86.9	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.5	173.4	-56.5	175.5	0	0	0	108.6	V139 V188 F200 G202 L204 Q218	V139-L214 HydrophobicContact CG1-CD1 4.02Å; V139-L214 HydrophobicContact CG1-CD2 3.93Å; V139-L214 HydrophobicContact CG2-CD1 4.01Å; V188-L214 HydrophobicContact CG1-CD1 4.04Å; F200-L214 HydrophobicContact CE1-CB 3.96Å; G202-L214 PolarHBondContact N-O 2.76Å; G202-L214 PolarHBondContact O-N 2.9Å; L204-L214 HydrophobicContact CB-CD1 4.11Å; L204-L214 HydrophobicContact CB-CD2 4.16Å; L204-L214 HydrophobicContact CB-CG 4.22Å; L214-Q218 HydrophobicContact CD2-CB 4.32Å; L214-Q218 HydrophobicContact CD2-CG 4.25Å
215	G	89	Confident	86.7	Confident	18 Å²	18	44.3 Å²	44.3	19%	0.186	26%	0.258	C	S	.	.			trans	-112.7	-171.8	172.1	0	0	0	0	0	112	F200 D217 Q218	F200-G215 WeakPolarHBondContact O-CA 3.27Å; G215-D217 PolarHBondContact O-N 3.35Å; G215-Q218 PolarHBondContact O-N 2.98Å
216	P	87.4	Confident	86.7	Confident	43 Å²	43	40.7 Å²	40.7	28%	0.279	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.3	-25.1	177.6	26.5	-35	0	0	0	113.1	R166 Y198 Q218 L219	R166-P216 PolarHBondContact NH1-O 2.83Å; Y198-P216 WeakPolarHBondContact O-CB 3.19Å; P216-Q218 PolarHBondContact O-N 3.19Å; P216-L219 PolarHBondContact O-N 3.05Å; P216-L219 VanDerWaalsContact O-N 3.1Å
217	D	86.6	Confident	86.6	Confident	68 Å²	68	43.8 Å²	43.8	36%	0.364	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26.6	179.2	-59.8	-30.1	0	0	0	113.5	R166 K167 G215 C1154	R166-D217 WeakPolarHBondContact CB-O 3.38Å; K167-D217 PolarHBondContact N-O 3.48Å; G215-D217 PolarHBondContact O-N 3.35Å; D217-C1154 HydrophobicContact CB-CB 4.05Å; D217-C1154 WeakPolarHBondContact OD1-CB 3.45Å
218	Q	91.2	Very high	86.5	Confident	30 Å²	30	41.7 Å²	41.7	14%	0.14	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-91.9	-12.4	175.9	-67.5	71.3	57.7	0	0	112.6	V139 L140 K167 L214 G215 P216	V139-Q218 WeakPolarHBondContact CA-O 3.34Å; L140-Q218 WeakPolarHBondContact CB-O 3.4Å; L140-Q218 PolarHBondContact N-O 3.26Å; K167-Q218 WeakPolarHBondContact O-CG 3.49Å; K167-Q218 PolarHBondContact O-NE2 3.22Å; L214-Q218 HydrophobicContact CD2-CB 4.32Å; L214-Q218 HydrophobicContact CD2-CG 4.25Å; G215-Q218 PolarHBondContact O-N 2.98Å; P216-Q218 PolarHBondContact O-N 3.19Å
219	L	92	Very high	86.9	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.1	-175.7	-170.7	71.5	0	0	0	111.3	V139 F200 P216 L221 K244	V139-L219 HydrophobicContact CG2-CD1 4.45Å; F200-L219 HydrophobicContact CB-CB 4.43Å; F200-L219 HydrophobicContact CB-CD2 3.71Å; F200-L219 HydrophobicContact CD1-CB 4.06Å; F200-L219 HydrophobicContact CD1-CD1 4.31Å; F200-L219 HydrophobicContact CD1-CD2 4.26Å; F200-L219 HydrophobicContact CD1-CG 4.44Å; F200-L219 HydrophobicContact CD2-CD1 4.44Å; F200-L219 HydrophobicContact CD2-CD2 3.92Å; F200-L219 HydrophobicContact CE1-CD1 4.25Å; F200-L219 HydrophobicContact CE2-CD1 4.38Å; F200-L219 HydrophobicContact CG-CB 4.31Å; F200-L219 HydrophobicContact CG-CD1 4.4Å; F200-L219 HydrophobicContact CG-CD2 3.71Å; F200-L219 HydrophobicContact CG-CG 4.36Å; F200-L219 HydrophobicContact CZ-CD1 4.28Å; P216-L219 PolarHBondContact O-N 3.05Å; P216-L219 VanDerWaalsContact O-N 3.1Å; L219-L221 HydrophobicContact CD2-CD2 3.49Å; L219-L221 VanDerWaalsContact CD2-CD2 3.49Å; L219-L221 HydrophobicContact CG-CD2 3.82Å; L219-K244 HydrophobicContact CD2-CD 4.38Å
220	L	93.3	Very high	87.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131	174.3	-41.5	178.5	0	0	0	108.5	L134 D137 L138 L140 I152 R166 I232	L134-L220 HydrophobicContact CD1-CB 3.39Å; L134-L220 HydrophobicContact CD1-CD1 4.37Å; L134-L220 HydrophobicContact CD1-CG 4.5Å; D137-L220 CarbonylContact C-O 3.53Å; D137-L220 WeakPolarHBondContact CA-O 3.43Å; L138-L220 HydrophobicContact CB-CB 4.37Å; L138-L220 PolarHBondContact N-O 3.39Å; L138-L220 PolarHBondContact O-N 3.34Å; L140-L220 HydrophobicContact CB-CD1 4.01Å; L140-L220 HydrophobicContact CB-CD2 4.24Å; L140-L220 HydrophobicContact CB-CG 4.09Å; L140-L220 HydrophobicContact CD1-CD1 4.29Å; L140-L220 HydrophobicContact CD2-CD2 4.28Å; I152-L220 HydrophobicContact CD1-CD2 4.34Å; I152-L220 HydrophobicContact CG2-CD2 4.37Å; R166-L220 HydrophobicContact CB-CD2 3.58Å; R166-L220 HydrophobicContact CG-CD2 3.56Å; L220-I232 HydrophobicContact CD1-CD1 3.31Å
221	L	91.3	Very high	87.8	Confident	12 Å²	12	29.2 Å²	29.2	6%	0.063	17%	0.172	C	C	.	.			trans	-100.8	142.6	-168.8	-59.8	-175.8	0	0	0	112.9	L157 L197 L219 G223 A224 K244	L157-L221 HydrophobicContact CD1-CB 3.63Å; L157-L221 HydrophobicContact CD1-CD1 4.34Å; L157-L221 HydrophobicContact CD2-CB 3.92Å; L157-L221 HydrophobicContact CD2-CD1 4.14Å; L157-L221 HydrophobicContact CG-CB 4.44Å; L197-L221 HydrophobicContact CB-CD1 4.36Å; L197-L221 HydrophobicContact CD2-CD1 3.98Å; L219-L221 HydrophobicContact CD2-CD2 3.49Å; L219-L221 VanDerWaalsContact CD2-CD2 3.49Å; L219-L221 HydrophobicContact CG-CD2 3.82Å; L221-G223 PolarHBondContact O-N 2.82Å; L221-A224 VanDerWaalsContact O-CB 3.32Å; L221-A224 WeakPolarHBondContact O-CB 3.41Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-A224 VanDerWaalsContact O-N 3.13Å; L221-K244 HydrophobicContact CD1-CD 4.46Å; L221-K244 HydrophobicContact CD2-CB 4.47Å; L221-K244 HydrophobicContact CD2-CD 3.76Å; L221-K244 HydrophobicContact CD2-CG 4.37Å
222	R	86	Confident	88.2	Confident	21 Å²	21	26.3 Å²	26.3	8%	0.079	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	131.8	174.9	179.3	-176.4	160.1	79.1	13.3	110.7	P135 A136 D137 A224 T243 L245	P135-R222 PolarHBondContact O-NH1 2.81Å; A136-R222 PolarHBondContact O-N 3.06Å; D137-R222 WeakPolarHBondContact OD1-CB 3.48Å; D137-R222 PolarHBondContact OD1-N 3.01Å; R222-A224 VanDerWaalsContact C-N 3.33Å; R222-T243 HydrophobicContact CB-CG2 4.02Å; R222-T243 WeakPolarHBondContact CD-OG1 3.11Å; R222-T243 HydrophobicContact CG-CG2 4.49Å; R222-L245 HydrophobicContact CG-CD2 4.42Å; R222-L245 WeakPolarHBondContact O-CD2 3.42Å
223	G	79.2	Confident	88.5	Confident	10 Å²	10	26 Å²	26	10%	0.103	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-10.2	177.5	0	0	0	0	0	115.4	L134 N156 L221	L134-G223 PolarHBondContact O-N 3.43Å; N156-G223 VanDerWaalsContact CB-O 3.3Å; N156-G223 WeakPolarHBondContact CB-O 3.44Å; N156-G223 PolarHBondContact ND2-O 2.86Å; L221-G223 PolarHBondContact O-N 2.82Å
224	A	87.1	Confident	88.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.			trans	-62.7	156.6	160.6	0	0	0	0	0	110.6	F133 L134 I152 E153 T154 L157 L221 R222	F133-A224 CarbonylContact C-O 3.56Å; F133-A224 WeakPolarHBondContact CA-O 3.47Å; L134-A224 HydrophobicContact CD1-CB 4.11Å; L134-A224 HydrophobicContact CG-CB 4.4Å; L134-A224 PolarHBondContact N-O 3.29Å; I152-A224 HydrophobicContact CB-CB 4.27Å; I152-A224 HydrophobicContact CD1-CB 4.22Å; E153-A224 WeakPolarHBondContact O-CA 3.38Å; E153-A224 WeakPolarHBondContact O-CB 3.46Å; T154-A224 HydrophobicContact CG2-CB 4.42Å; L157-A224 HydrophobicContact CD1-CB 3.8Å; L221-A224 VanDerWaalsContact O-CB 3.32Å; L221-A224 WeakPolarHBondContact O-CB 3.41Å; L221-A224 PolarHBondContact O-N 2.95Å; L221-A224 VanDerWaalsContact O-N 3.13Å; R222-A224 VanDerWaalsContact C-N 3.33Å
225	V	87.5	Confident	88.7	Confident	12 Å²	12	21 Å²	21	7%	0.073	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.9	175	-173.9	0	0	0	0	109.4	F133 I152 E153 K227	F133-V225 HydrophobicContact CD1-CG2 3.51Å; F133-V225 HydrophobicContact CE1-CG2 3.36Å; F133-V225 HydrophobicContact CG-CG2 4.44Å; F133-V225 HydrophobicContact CZ-CG2 4.21Å; I152-V225 CarbonylContact C-O 3.55Å; I152-V225 VanDerWaalsContact CA-O 3.31Å; I152-V225 WeakPolarHBondContact CA-O 3.42Å; E153-V225 HydrophobicContact CB-CB 4.25Å; E153-V225 PolarHBondContact N-O 3.41Å; E153-V225 PolarHBondContact O-N 2.64Å; V225-K227 HydrophobicContact CG1-CG 4.23Å; V225-K227 PolarHBondContact O-N 2.83Å
226	L	89.5	Confident	88.9	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.5	168	-170.9	72.7	0	0	0	109.5	G131 Q132 A150 I152 T229 I232	G131-L226 PolarHBondContact N-O 3.44Å; Q132-L226 PolarHBondContact O-N 2.88Å; Q132-L226 VanDerWaalsContact O-N 3.08Å; A150-L226 HydrophobicContact CB-CD1 4.24Å; I152-L226 HydrophobicContact CG2-CD1 4.35Å; L226-T229 HydrophobicContact CD1-CG2 3.97Å; L226-T229 HydrophobicContact CD2-CG2 4.25Å; L226-T229 HydrophobicContact CG-CG2 4.34Å; L226-I232 HydrophobicContact CD1-CD1 4.24Å; L226-I232 HydrophobicContact CD1-CG1 4.28Å; L226-I232 HydrophobicContact CD1-CG2 3.69Å; L226-I232 HydrophobicContact CD2-CG1 4.05Å; L226-I232 HydrophobicContact CD2-CG2 4.19Å
227	K	83.1	Confident	89.2	Confident	83 Å²	83	18.8 Å²	18.8	36%	0.361	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	164	175.4	-83.3	-175.9	170.4	172.9	0	110	Y151 E153 L163 V225 T229	Y151-K227 WeakPolarHBondContact CB-O 3.21Å; Y151-K227 PolarHBondContact O-N 3.48Å; Y151-K227 VanDerWaalsContact O-N 3.11Å; E153-K227 HydrophobicContact CB-CD 4.36Å; E153-K227 WeakPolarHBondContact OE2-CD 3.27Å; E153-K227 WeakPolarHBondContact OE2-CE 3.42Å; E153-K227 IonicContact OE2-NZ 2.65Å; E153-K227 PolarHBondContact OE2-NZ 3.32Å; L163-K227 HydrophobicContact CD1-CB 4.46Å; L163-K227 HydrophobicContact CD2-CB 3.76Å; L163-K227 HydrophobicContact CD2-CD 3.9Å; L163-K227 HydrophobicContact CD2-CG 4.42Å; V225-K227 HydrophobicContact CG1-CG 4.23Å; V225-K227 PolarHBondContact O-N 2.83Å; K227-T229 WeakPolarHBondContact O-CB 3.46Å; K227-T229 PolarHBondContact O-N 3Å; K227-T229 PolarHBondContact O-OG1 3.06Å
228	N	79	Confident	89.4	Confident	44 Å²	44	15.9 Å²	15.9	24%	0.235	8%	0.08	C	C	.	.	S	Bend	trans	49.4	25.9	175.8	-64.4	20.8	0	0	0	114.8	Y151 L163 Q455	Y151-N228 HydrophobicContact CD2-CB 3.55Å; Y151-N228 WeakPolarHBondContact CD2-O 3.06Å; Y151-N228 HydrophobicContact CE2-CB 4.13Å; Y151-N228 HydrophobicContact CG-CB 4.11Å; L163-N228 HydrophobicContact CD1-CB 4.32Å; L163-N228 VanDerWaalsContact CD1-ND2 3.26Å; L163-N228 WeakPolarHBondContact CD1-ND2 3.42Å; N228-Q455 WeakPolarHBondContact ND2-CG 3.4Å; N228-Q455 PolarHBondContact ND2-OE1 2.97Å
229	T	85.7	Confident	89.3	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.012	8%	0.076	C	C	.	.	S	Bend	trans	-155.8	117.6	-171.9	-67.5	0	0	0	0	106	S130 S143 E145 A150 Y151 L226 K227 W231 I232	S130-T229 VanDerWaalsContact CB-O 3.22Å; S130-T229 WeakPolarHBondContact CB-O 3.07Å; S130-T229 PolarHBondContact OG-O 3.36Å; S143-T229 WeakPolarHBondContact OG-CG2 3.24Å; E145-T229 HydrophobicContact CG-CG2 4.16Å; A150-T229 HydrophobicContact CB-CG2 4.16Å; Y151-T229 PolarHBondContact N-OG1 2.93Å; L226-T229 HydrophobicContact CD1-CG2 3.97Å; L226-T229 HydrophobicContact CD2-CG2 4.25Å; L226-T229 HydrophobicContact CG-CG2 4.34Å; K227-T229 WeakPolarHBondContact O-CB 3.46Å; K227-T229 PolarHBondContact O-N 3Å; K227-T229 PolarHBondContact O-OG1 3.06Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 WeakPolarHBondContact CG2-O 3.34Å; T229-W231 PolarHBondContact O-N 2.88Å; T229-I232 HydrophobicContact CG2-CG2 3.92Å
230	L	88.3	Confident	88.7	Confident	78 Å²	78	15 Å²	15	41%	0.408	8%	0.079	S	C	.	.	S	Bend	trans	-62.8	-42.7	-170.2	-61.3	178.2	0	0	0	111.5	V129 S130 S144 K1170	V129-L230 WeakPolarHBondContact CA-O 3.47Å; S130-L230 PolarHBondContact N-O 3.03Å; S144-L230 PolarHBondContact OG-N 3.24Å; L230-K1170 HydrophobicContact CD1-CB 3.69Å; L230-K1170 HydrophobicContact CD1-CD 3.84Å; L230-K1170 HydrophobicContact CD1-CG 4.39Å; L230-K1170 HydrophobicContact CG-CD 4.12Å
231	W	92.4	Very high	88	Confident	8 Å²	8	19.5 Å²	19.5	3%	0.03	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.7	177.4	57.1	-92	0	0	0	111.6	K127 V128 S143 S144 L176 T229 F233 P1171 E1172 G1173	K127-W231 HydrophobicContact CG-CB 4.45Å; V128-W231 CarbonylContact O-C 3.6Å; V128-W231 WeakPolarHBondContact O-CA 3.25Å; S143-W231 WeakPolarHBondContact CA-O 3.48Å; S143-W231 PolarHBondContact OG-O 3.27Å; S144-W231 PolarHBondContact N-O 2.76Å; L176-W231 HydrophobicContact CD2-CH2 3.86Å; T229-W231 VanDerWaalsContact C-N 3.34Å; T229-W231 WeakPolarHBondContact CG2-O 3.34Å; T229-W231 PolarHBondContact O-N 2.88Å; W231-F233 HydrophobicContact CD2-CE1 4.26Å; W231-F233 AromaticContact CE3-CD1 3.63Å; W231-F233 HydrophobicContact CE3-CD1 3.63Å; W231-F233 HydrophobicContact CE3-CD2 4.38Å; W231-F233 AromaticContact CE3-CE1 3.45Å; W231-F233 HydrophobicContact CE3-CE1 3.45Å; W231-F233 VanDerWaalsContact CE3-CE1 3.45Å; W231-F233 HydrophobicContact CE3-CE2 4.26Å; W231-F233 HydrophobicContact CE3-CG 4.08Å; W231-F233 AromaticContact CE3-CZ 3.81Å; W231-F233 HydrophobicContact CE3-CZ 3.81Å; W231-F233 HydrophobicContact CH2-CD2 4.41Å; W231-F233 AromaticContact CH2-CE2 3.99Å; W231-F233 HydrophobicContact CH2-CE2 3.99Å; W231-F233 HydrophobicContact CH2-CZ 4.05Å; W231-F233 AromaticContact CZ3-CD1 3.76Å; W231-F233 HydrophobicContact CZ3-CD1 3.76Å; W231-F233 AromaticContact CZ3-CD2 3.66Å; W231-F233 HydrophobicContact CZ3-CD2 3.66Å; W231-F233 AromaticContact CZ3-CE1 3.62Å; W231-F233 HydrophobicContact CZ3-CE1 3.62Å; W231-F233 AromaticContact CZ3-CE2 3.55Å; W231-F233 HydrophobicContact CZ3-CE2 3.55Å; W231-F233 AromaticContact CZ3-CG 3.76Å; W231-F233 HydrophobicContact CZ3-CG 3.76Å; W231-F233 AromaticContact CZ3-CZ 3.53Å; W231-F233 HydrophobicContact CZ3-CZ 3.53Å; W231-P1171 HydrophobicContact CZ2-CB 4.37Å; W231-P1171 HydrophobicContact CZ2-CG 4.09Å; W231-P1171 PolarHBondContact NE1-O 3.41Å; W231-E1172 VanDerWaalsContact NE1-C 3.27Å; W231-E1172 PolarHBondContact NE1-O 2.67Å; W231-G1173 VanDerWaalsContact CE2-CA 3.41Å
232	I	94.2	Very high	87.7	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.2	167.3	56.5	166.6	0	0	0	110.6	K127 V128 L134 L140 A150 L220 L226 T229	K127-I232 WeakPolarHBondContact CA-O 3.43Å; V128-I232 HydrophobicContact CB-CD1 4.27Å; V128-I232 HydrophobicContact CB-CG1 3.91Å; V128-I232 HydrophobicContact CG2-CG1 4.49Å; V128-I232 PolarHBondContact N-O 2.86Å; V128-I232 VanDerWaalsContact N-O 3.16Å; V128-I232 PolarHBondContact O-N 2.85Å; L134-I232 HydrophobicContact CD2-CD1 4.04Å; L140-I232 HydrophobicContact CD1-CB 3.99Å; L140-I232 HydrophobicContact CD1-CG2 3.87Å; A150-I232 HydrophobicContact CB-CG2 3.65Å; L220-I232 HydrophobicContact CD1-CD1 3.31Å; L226-I232 HydrophobicContact CD1-CD1 4.24Å; L226-I232 HydrophobicContact CD1-CG1 4.28Å; L226-I232 HydrophobicContact CD1-CG2 3.69Å; L226-I232 HydrophobicContact CD2-CG1 4.05Å; L226-I232 HydrophobicContact CD2-CG2 4.19Å; T229-I232 HydrophobicContact CG2-CG2 3.92Å
233	F	93.8	Very high	87.7	Confident	1 Å²	1	21.3 Å²	21.3	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.4	162.3	-57.6	-25.5	0	0	0	109.5	W112 V126 K127 L141 C142 L181 W231 G1173	W112-F233 AromaticContact CH2-CD1 3.81Å; W112-F233 HydrophobicContact CH2-CD1 3.81Å; W112-F233 HydrophobicContact CH2-CE1 4.01Å; W112-F233 HydrophobicContact CH2-CG 4.29Å; W112-F233 AromaticContact CZ2-CD1 3.68Å; W112-F233 HydrophobicContact CZ2-CD1 3.68Å; W112-F233 HydrophobicContact CZ2-CD2 4.49Å; W112-F233 AromaticContact CZ2-CE1 3.39Å; W112-F233 HydrophobicContact CZ2-CE1 3.39Å; W112-F233 HydrophobicContact CZ2-CE2 4.25Å; W112-F233 HydrophobicContact CZ2-CG 4.26Å; W112-F233 AromaticContact CZ2-CZ 3.7Å; W112-F233 HydrophobicContact CZ2-CZ 3.7Å; V126-F233 WeakPolarHBondContact O-CA 3.26Å; K127-F233 HydrophobicContact CB-CD1 3.92Å; K127-F233 HydrophobicContact CB-CE1 4Å; K127-F233 HydrophobicContact CD-CE1 3.8Å; K127-F233 HydrophobicContact CG-CD1 4.02Å; K127-F233 HydrophobicContact CG-CE1 3.78Å; L141-F233 PolarHBondContact N-O 3.43Å; C142-F233 PolarHBondContact O-N 3.27Å; C142-F233 WeakPolarHBondContact SG-CD2 3.38Å; L181-F233 HydrophobicContact CD1-CB 3.97Å; L181-F233 HydrophobicContact CD1-CD1 4.4Å; L181-F233 HydrophobicContact CD1-CD2 3.31Å; L181-F233 HydrophobicContact CD1-CE2 3.82Å; L181-F233 HydrophobicContact CD1-CG 3.66Å; L181-F233 HydrophobicContact CD2-CD2 4.38Å; L181-F233 HydrophobicContact CG-CD2 3.94Å; L181-F233 HydrophobicContact CG-CE2 4.39Å; W231-F233 HydrophobicContact CD2-CE1 4.26Å; W231-F233 AromaticContact CE3-CD1 3.63Å; W231-F233 HydrophobicContact CE3-CD1 3.63Å; W231-F233 HydrophobicContact CE3-CD2 4.38Å; W231-F233 AromaticContact CE3-CE1 3.45Å; W231-F233 HydrophobicContact CE3-CE1 3.45Å; W231-F233 VanDerWaalsContact CE3-CE1 3.45Å; W231-F233 HydrophobicContact CE3-CE2 4.26Å; W231-F233 HydrophobicContact CE3-CG 4.08Å; W231-F233 AromaticContact CE3-CZ 3.81Å; W231-F233 HydrophobicContact CE3-CZ 3.81Å; W231-F233 HydrophobicContact CH2-CD2 4.41Å; W231-F233 AromaticContact CH2-CE2 3.99Å; W231-F233 HydrophobicContact CH2-CE2 3.99Å; W231-F233 HydrophobicContact CH2-CZ 4.05Å; W231-F233 AromaticContact CZ3-CD1 3.76Å; W231-F233 HydrophobicContact CZ3-CD1 3.76Å; W231-F233 AromaticContact CZ3-CD2 3.66Å; W231-F233 HydrophobicContact CZ3-CD2 3.66Å; W231-F233 AromaticContact CZ3-CE1 3.62Å; W231-F233 HydrophobicContact CZ3-CE1 3.62Å; W231-F233 AromaticContact CZ3-CE2 3.55Å; W231-F233 HydrophobicContact CZ3-CE2 3.55Å; W231-F233 AromaticContact CZ3-CG 3.76Å; W231-F233 HydrophobicContact CZ3-CG 3.76Å; W231-F233 AromaticContact CZ3-CZ 3.53Å; W231-F233 HydrophobicContact CZ3-CZ 3.53Å; F233-G1173 VanDerWaalsContact CZ-O 3.32Å; F233-G1173 WeakPolarHBondContact CZ-O 3.42Å
234	G	93.1	Very high	87.9	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.1	-178.4	0	0	0	0	0	113	L125 V126 V139	L125-G234 WeakPolarHBondContact CA-O 3.38Å; V126-G234 PolarHBondContact N-O 3.16Å; V126-G234 PolarHBondContact O-N 3.07Å; V139-G234 VanDerWaalsContact O-CA 3.3Å; V139-G234 WeakPolarHBondContact O-CA 3.27Å
235	L	93.6	Very high	87.6	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.4	170.5	-179.1	70.9	0	0	0	109.9	F2 G123 L125 L138 V139 L141 V188	F2-L235 HydrophobicContact CD2-CD1 3.78Å; F2-L235 HydrophobicContact CE1-CD2 4.25Å; F2-L235 HydrophobicContact CE2-CD1 3.81Å; F2-L235 HydrophobicContact CE2-CD2 4.35Å; F2-L235 HydrophobicContact CG-CD1 4.4Å; F2-L235 HydrophobicContact CZ-CD1 4.44Å; F2-L235 HydrophobicContact CZ-CD2 4.17Å; G123-L235 WeakPolarHBondContact O-CD1 3.42Å; L125-L235 HydrophobicContact CD2-CB 4.14Å; L125-L235 HydrophobicContact CD2-CD1 3.78Å; L125-L235 HydrophobicContact CG-CD1 4.25Å; L138-L235 CarbonylContact C-O 3.6Å; L138-L235 VanDerWaalsContact CA-O 3.31Å; L138-L235 WeakPolarHBondContact CA-O 3.43Å; V139-L235 PolarHBondContact N-O 3.38Å; V139-L235 PolarHBondContact O-N 3.37Å; L141-L235 HydrophobicContact CD1-CB 4.32Å; V188-L235 HydrophobicContact CG2-CD2 3.6Å
236	V	93.6	Very high	87.1	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.8	-178.3	179.3	0	0	0	0	111.3	I120 C121 G123 D124 V126 A136 L138 T239	I120-V236 HydrophobicContact CG2-CB 4.5Å; I120-V236 HydrophobicContact CG2-CG1 4.23Å; I120-V236 HydrophobicContact CG2-CG2 3.66Å; C121-V236 WeakPolarHBondContact O-CG1 3.49Å; G123-V236 PolarHBondContact N-O 2.9Å; D124-V236 HydrophobicContact CB-CG2 4.15Å; D124-V236 WeakPolarHBondContact O-CG2 3.31Å; D124-V236 PolarHBondContact O-N 3.02Å; V126-V236 HydrophobicContact CG1-CG2 3.85Å; V126-V236 HydrophobicContact CG2-CG2 4.41Å; A136-V236 HydrophobicContact CB-CG1 3.89Å; L138-V236 HydrophobicContact CD2-CB 4.23Å; L138-V236 HydrophobicContact CD2-CG2 3.61Å; V236-T239 HydrophobicContact CG1-CG2 3.39Å
237	V	92.3	Very high	86.4	Confident	12 Å²	12	25.4 Å²	25.4	7%	0.073	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-52.5	179.7	178.5	0	0	0	0	112.7	V122 D137 V139	V122-V237 WeakPolarHBondContact CG1-O 3.34Å; D137-V237 PolarHBondContact O-N 3.2Å; V139-V237 HydrophobicContact CB-CG2 4.42Å; V139-V237 HydrophobicContact CG2-CG2 3.64Å
238	Y	91.3	Very high	85.7	Confident	7 Å²	7	24.3 Å²	24.3	3%	0.027	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.8	176.6	-49.4	-60.7	0	0	0	110.7	A136 D137 E191 P193 F200 T243	A136-Y238 WeakPolarHBondContact CB-O 3.41Å; D137-Y238 HydrophobicContact CB-CD2 3.97Å; D137-Y238 PolarHBondContact N-O 3.17Å; D137-Y238 VanDerWaalsContact N-O 3.13Å; D137-Y238 PolarHBondContact O-N 3.49Å; E191-Y238 PolarHBondContact O-OH 2.92Å; P193-Y238 HydrophobicContact CB-CD1 3.93Å; P193-Y238 HydrophobicContact CB-CE1 3.94Å; P193-Y238 HydrophobicContact CB-CG 4.32Å; P193-Y238 HydrophobicContact CG-CD1 4.41Å; P193-Y238 HydrophobicContact CG-CE1 4.39Å; F200-Y238 HydrophobicContact CD2-CE2 4.48Å; F200-Y238 HydrophobicContact CE2-CE2 4.1Å; Y238-T243 VanDerWaalsContact O-CG2 3.26Å; Y238-T243 WeakPolarHBondContact O-CG2 3.34Å
239	T	89.4	Confident	85.1	Confident	9 Å²	9	25.2 Å²	25.2	6%	0.055	14%	0.135	C	C	.	.			trans	-130.5	166.2	-178.5	63.5	0	0	0	0	112.3	L21 V122 A136 V236 H241 E242	L21-T239 HydrophobicContact CD2-CG2 4.1Å; V122-T239 HydrophobicContact CG2-CG2 3.95Å; A136-T239 HydrophobicContact CB-CG2 4.29Å; V236-T239 HydrophobicContact CG1-CG2 3.39Å; T239-H241 PolarHBondContact O-N 3.13Å; T239-E242 WeakPolarHBondContact O-CB 3.39Å; T239-E242 PolarHBondContact O-N 3.13Å
240	G	79.9	Confident	83.9	Confident	9 Å²	9	30 Å²	30	9%	0.093	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	51.1	-129.1	176.6	0	0	0	0	0	113.3	E242 T243 M246	G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.44Å; G240-T243 PolarHBondContact O-N 3.21Å; G240-T243 PolarHBondContact O-OG1 2.85Å; G240-M246 VanDerWaalsContact O-CG 3.31Å; G240-M246 WeakPolarHBondContact O-CG 3.44Å
241	H	77.9	Confident	82.7	Confident	94 Å²	94	33 Å²	33	44%	0.435	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-71.7	-13	-179.9	-74.5	-78	0	0	0	115.2	T239 T243 L247	T239-H241 PolarHBondContact O-N 3.13Å; H241-T243 VanDerWaalsContact C-N 3.34Å; H241-L247 WeakPolarHBondContact O-CD2 3.44Å
242	E	85.1	Confident	81.3	Confident	71 Å²	71	35.4 Å²	35.4	33%	0.332	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-79.7	-18.6	178.1	-59.9	-170.1	150.4	0	0	112.7	P193 T239 G240	P193-E242 HydrophobicContact CB-CB 4.08Å; P193-E242 VanDerWaalsContact CB-O 3.27Å; P193-E242 WeakPolarHBondContact CB-O 3.44Å; P193-E242 HydrophobicContact CG-CB 4.05Å; P193-E242 HydrophobicContact CG-CG 4.33Å; T239-E242 WeakPolarHBondContact O-CB 3.39Å; T239-E242 PolarHBondContact O-N 3.13Å; G240-E242 VanDerWaalsContact C-N 3.28Å; G240-E242 PolarHBondContact O-N 3.44Å
243	T	85.3	Confident	80.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-60.5	143.6	177.2	56.4	0	0	0	0	112.2	D137 R222 Y238 G240 H241 L245 M246 L247	D137-T243 HydrophobicContact CB-CG2 4.5Å; D137-T243 VanDerWaalsContact OD2-CA 3.22Å; D137-T243 WeakPolarHBondContact OD2-CA 3.47Å; R222-T243 HydrophobicContact CB-CG2 4.02Å; R222-T243 WeakPolarHBondContact CD-OG1 3.11Å; R222-T243 HydrophobicContact CG-CG2 4.49Å; Y238-T243 VanDerWaalsContact O-CG2 3.26Å; Y238-T243 WeakPolarHBondContact O-CG2 3.34Å; G240-T243 PolarHBondContact O-N 3.21Å; G240-T243 PolarHBondContact O-OG1 2.85Å; H241-T243 VanDerWaalsContact C-N 3.34Å; T243-L245 PolarHBondContact O-N 2.67Å; T243-L245 VanDerWaalsContact O-N 3.12Å; T243-M246 PolarHBondContact O-N 3.18Å; T243-M246 WeakPolarHBondContact OG1-CG 3.35Å; T243-L247 PolarHBondContact O-N 3.14Å
244	K	84.1	Confident	79	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-31.6	-176.5	-62.6	-174.3	-177.5	-90.1	0	112.8	D137 H194 R196 L197 E199 L219 L221 N248	D137-K244 PolarHBondContact OD2-N 2.9Å; H194-K244 PolarHBondContact CD2-NZ 2.96Å; H194-K244 PolarHBondContact CE1-NZ 3.23Å; H194-K244 VanDerWaalsContact CE1-NZ 3.32Å; H194-K244 PolarHBondContact NE2-NZ 2.9Å; R196-K244 PolarHBondContact O-NZ 3.3Å; L197-K244 HydrophobicContact CD2-CB 4.06Å; E199-K244 PolarHBondContact O-NZ 3Å; L219-K244 HydrophobicContact CD2-CD 4.38Å; L221-K244 HydrophobicContact CD1-CD 4.46Å; L221-K244 HydrophobicContact CD2-CB 4.47Å; L221-K244 HydrophobicContact CD2-CD 3.76Å; L221-K244 HydrophobicContact CD2-CG 4.37Å; K244-N248 PolarHBondContact O-N 2.87Å; K244-N248 PolarHBondContact O-ND2 2.93Å
245	L	79.5	Confident	78.3	Confident	28 Å²	28	45.4 Å²	45.4	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-51.9	172	178	61.7	0	0	0	111.8	N156 L157 R222 T243 L247 N248 S249	N156-L245 WeakPolarHBondContact O-CD1 3.48Å; L157-L245 HydrophobicContact CD2-CB 3.92Å; L157-L245 HydrophobicContact CD2-CD1 4.08Å; L157-L245 HydrophobicContact CD2-CG 4.48Å; R222-L245 HydrophobicContact CG-CD2 4.42Å; R222-L245 WeakPolarHBondContact O-CD2 3.42Å; T243-L245 PolarHBondContact O-N 2.67Å; T243-L245 VanDerWaalsContact O-N 3.12Å; L245-L247 PolarHBondContact O-N 3.21Å; L245-N248 CarbonylContact O-C 3.38Å; L245-N248 PolarHBondContact O-N 3.41Å; L245-N248 VanDerWaalsContact O-N 3.17Å; L245-S249 PolarHBondContact O-N 3.44Å
246	M	77	Confident	77.5	Confident	31 Å²	31	51.6 Å²	51.6	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-71.6	-30.7	-176.4	-65.9	-56.6	-55.8	0	0	112.7	L23 G240 T243 N248 S249	L23-M246 HydrophobicContact CD2-CE 3.81Å; L23-M246 HydrophobicContact CD2-CG 3.87Å; L23-M246 HydrophobicContact CD2-SD 3.83Å; G240-M246 VanDerWaalsContact O-CG 3.31Å; G240-M246 WeakPolarHBondContact O-CG 3.44Å; T243-M246 PolarHBondContact O-N 3.18Å; T243-M246 WeakPolarHBondContact OG1-CG 3.35Å; M246-N248 PolarHBondContact O-N 2.89Å; M246-S249 PolarHBondContact O-N 2.94Å; M246-S249 PolarHBondContact O-OG 2.91Å
247	L	75.4	Confident	77.1	Confident	48 Å²	48	51.5 Å²	51.5	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-30	171.2	-71	-179	0	0	0	112.8	P193 R195 H241 T243 L245	P193-L247 HydrophobicContact CB-CD1 4.1Å; R195-L247 HydrophobicContact CG-CB 3.93Å; R195-L247 PolarHBondContact NE-O 3.35Å; R195-L247 PolarHBondContact NH2-O 2.94Å; R195-L247 VanDerWaalsContact NH2-O 3.09Å; H241-L247 WeakPolarHBondContact O-CD2 3.44Å; T243-L247 PolarHBondContact O-N 3.14Å; L245-L247 PolarHBondContact O-N 3.21Å
248	N	69.9	Low	76.8	Confident	60 Å²	60	53 Å²	53	32%	0.321	29%	0.287	S	S	.	.	H	α-helix	trans	-92.5	-7.6	176.8	-72.6	-54.7	0	0	0	114	R195 K244 L245 M246 N250	R195-N248 WeakPolarHBondContact CB-OD1 3.41Å; R195-N248 WeakPolarHBondContact CG-OD1 3.15Å; R195-N248 PolarHBondContact O-ND2 3.41Å; R195-N248 PolarHBondContact O-OD1 3.35Å; K244-N248 PolarHBondContact O-N 2.87Å; K244-N248 PolarHBondContact O-ND2 2.93Å; L245-N248 CarbonylContact O-C 3.38Å; L245-N248 PolarHBondContact O-N 3.41Å; L245-N248 VanDerWaalsContact O-N 3.17Å; M246-N248 PolarHBondContact O-N 2.89Å; N248-N250 PolarHBondContact O-N 2.71Å
249	S	64.5	Low	76.6	Confident	63 Å²	63	52.6 Å²	52.6	44%	0.441	29%	0.286	S	S	.	.			trans	-70.1	97.7	179	69.3	0	0	0	0	110.9	L245 M246	L245-S249 PolarHBondContact O-N 3.44Å; M246-S249 PolarHBondContact O-N 2.94Å; M246-S249 PolarHBondContact O-OG 2.91Å
250	N	61.4	Low	76.4	Confident	103 Å²	103	53.9 Å²	53.9	55%	0.551	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-73.2	131.5	176.1	-76.1	-33.3	0	0	0	111	N248 A252	N248-N250 PolarHBondContact O-N 2.71Å; N250-A252 PolarHBondContact O-N 2.92Å
251	V	62.8	Low	76.7	Confident	140 Å²	140	59.8 Å²	59.8	85%	0.848	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-62	120.3	170.4	179.9	0	0	0	0	108.6
252	A	62.4	Low	77.2	Confident	59 Å²	59	57 Å²	57	49%	0.488	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-54.9	130.6	-176.6	0	0	0	0	0	111.3	N250	N250-A252 PolarHBondContact O-N 2.92Å
253	P	69.2	Low	77.3	Confident	61 Å²	61	53.8 Å²	53.8	40%	0.396	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-68.4	144.1	-172.9	26.6	-34.1	0	0	0	111.8	K255 Q763	P253-K255 VanDerWaalsContact C-N 3.26Å; P253-K255 HydrophobicContact CG-CG 4.47Å; P253-K255 PolarHBondContact O-N 3.09Å; P253-Q763 HydrophobicContact CG-CB 4.09Å; P253-Q763 WeakPolarHBondContact CG-O 3.49Å
254	L	70.5	Confident	77.3	Confident	114 Å²	114	55.8 Å²	55.8	60%	0.597	30%	0.297	S	S	*	.			trans	-71.8	79.8	174.2	-73.7	172.8	0	0	0	111
255	K	79	Confident	77.4	Confident	38 Å²	38	60.4 Å²	60.4	17%	0.165	32%	0.322	C	S	.	.			trans	-60.7	143.2	174.1	-57.6	-169.1	-173.4	-173.8	0	110.4	P253 L365 I762 Q763 A765 D784	P253-K255 VanDerWaalsContact C-N 3.26Å; P253-K255 HydrophobicContact CG-CG 4.47Å; P253-K255 PolarHBondContact O-N 3.09Å; K255-L365 HydrophobicContact CB-CD1 4.06Å; K255-L365 HydrophobicContact CB-CD2 4.18Å; K255-L365 HydrophobicContact CD-CD1 4.03Å; K255-I762 PolarHBondContact NZ-O 3.18Å; K255-Q763 WeakPolarHBondContact CE-O 3.42Å; K255-A765 VanDerWaalsContact CE-O 3.27Å; K255-A765 WeakPolarHBondContact CE-O 3.5Å; K255-A765 PolarHBondContact NZ-O 3.47Å; K255-D784 WeakPolarHBondContact CD-OD2 3.33Å; K255-D784 WeakPolarHBondContact CE-OD2 3.47Å; K255-D784 IonicContact NZ-OD2 2.9Å; K255-D784 PolarHBondContact NZ-OD2 2.93Å
256	R	76.6	Confident	77.8	Confident	134 Å²	134	59.1 Å²	59.1	51%	0.506	32%	0.315	S	S	.	.			trans	-133.4	123.2	-179.5	-72.9	-177.6	172.1	-167.2	-6.3	109.6
257	S	85.2	Confident	78.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.			trans	-49.9	140.4	174.2	150.3	0	0	0	0	112.1	V259 D260 R261 E367 E368	S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 WeakPolarHBondContact OG-CB 3.48Å; S257-V259 PolarHBondContact OG-N 2.92Å; S257-V259 VanDerWaalsContact OG-N 3.08Å; S257-D260 WeakPolarHBondContact O-CB 3.4Å; S257-D260 PolarHBondContact O-N 3.32Å; S257-D260 PolarHBondContact OG-N 3.19Å; S257-D260 VanDerWaalsContact OG-N 3.13Å; S257-R261 PolarHBondContact O-N 3.36Å; S257-R261 VanDerWaalsContact O-N 3.1Å; S257-E367 PolarHBondContact OG-OE1 3.16Å; S257-E368 WeakPolarHBondContact CA-OE1 3.5Å; S257-E368 WeakPolarHBondContact CB-OE1 3.26Å; S257-E368 PolarHBondContact OG-OE1 3Å
258	N	86.4	Confident	78.8	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-35.6	171.4	174.5	52.2	0	0	0	110.9	D260 R261 V262 E368 Q371 I748	N258-D260 VanDerWaalsContact C-N 3.3Å; N258-D260 PolarHBondContact O-N 3.09Å; N258-R261 WeakPolarHBondContact O-CB 3.09Å; N258-R261 PolarHBondContact O-N 3.09Å; N258-R261 VanDerWaalsContact O-N 3.13Å; N258-V262 WeakPolarHBondContact O-CG2 3.25Å; N258-V262 PolarHBondContact O-N 2.95Å; N258-E368 WeakPolarHBondContact CB-OE1 3.35Å; N258-E368 VanDerWaalsContact N-CD 3.31Å; N258-E368 PolarHBondContact N-OE1 3.1Å; N258-E368 PolarHBondContact N-OE2 2.74Å; N258-Q371 PolarHBondContact ND2-OE1 3.26Å; N258-Q371 VanDerWaalsContact ND2-OE1 3.17Å; N258-I748 HydrophobicContact CB-CD1 3.99Å
259	V	87.4	Confident	79.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-38.8	172.2	179.8	0	0	0	0	110.9	S257 V262 T263 E367 F805 I812 F909	S257-V259 VanDerWaalsContact C-N 3.28Å; S257-V259 WeakPolarHBondContact OG-CB 3.48Å; S257-V259 PolarHBondContact OG-N 2.92Å; S257-V259 VanDerWaalsContact OG-N 3.08Å; V259-V262 PolarHBondContact O-N 3.07Å; V259-T263 VanDerWaalsContact O-CB 3.29Å; V259-T263 WeakPolarHBondContact O-CB 3.19Å; V259-T263 PolarHBondContact O-N 3.39Å; V259-T263 PolarHBondContact O-OG1 2.89Å; V259-E367 HydrophobicContact CB-CG 4.04Å; V259-E367 HydrophobicContact CG2-CB 4.43Å; V259-E367 HydrophobicContact CG2-CG 3.85Å; V259-F805 HydrophobicContact CG2-CD2 4.19Å; V259-F805 HydrophobicContact CG2-CE2 3.99Å; V259-I812 HydrophobicContact CG1-CD1 3.43Å; V259-I812 VanDerWaalsContact CG1-CD1 3.43Å; V259-F909 HydrophobicContact CG1-CD1 4.27Å; V259-F909 HydrophobicContact CG1-CE1 3.83Å; V259-F909 HydrophobicContact CG1-CZ 4.49Å
260	D	85.8	Confident	80.5	Confident	35 Å²	35	58.5 Å²	58.5	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-40.9	171.5	-91.6	-11.9	0	0	0	112.2	S257 N258 T263 N264 R336	S257-D260 WeakPolarHBondContact O-CB 3.4Å; S257-D260 PolarHBondContact O-N 3.32Å; S257-D260 PolarHBondContact OG-N 3.19Å; S257-D260 VanDerWaalsContact OG-N 3.13Å; N258-D260 VanDerWaalsContact C-N 3.3Å; N258-D260 PolarHBondContact O-N 3.09Å; D260-T263 PolarHBondContact O-N 3.17Å; D260-N264 WeakPolarHBondContact O-CB 3.24Å; D260-N264 PolarHBondContact O-N 3.28Å; D260-N264 PolarHBondContact O-ND2 3.01Å; D260-R336 IonicContact OD1-CZ 3.43Å; D260-R336 IonicContact OD1-NH1 3.66Å; D260-R336 PolarHBondContact OD1-NH1 3.02Å; D260-R336 IonicContact OD1-NH2 2.76Å; D260-R336 PolarHBondContact OD1-NH2 3.05Å; D260-R336 IonicContact OD2-CZ 3.87Å; D260-R336 IonicContact OD2-NH1 3.5Å; D260-R336 PolarHBondContact OD2-NH1 2.94Å; D260-R336 IonicContact OD2-NH2 3.83Å; D260-R336 PolarHBondContact OD2-NH2 3.01Å
261	R	85.4	Confident	81.7	Confident	133 Å²	133	57 Å²	57	50%	0.502	30%	0.295	S	S	.	.	H	α-helix	trans	-61	-48.1	176.6	-63.8	177.4	-167	-165.7	2.9	111.3	S257 N258 T263 N264 N265	S257-R261 PolarHBondContact O-N 3.36Å; S257-R261 VanDerWaalsContact O-N 3.1Å; N258-R261 WeakPolarHBondContact O-CB 3.09Å; N258-R261 PolarHBondContact O-N 3.09Å; N258-R261 VanDerWaalsContact O-N 3.13Å; R261-T263 VanDerWaalsContact C-N 3.35Å; R261-T263 PolarHBondContact O-N 2.98Å; R261-N264 PolarHBondContact O-N 3.42Å; R261-N265 PolarHBondContact O-N 2.9Å; R261-N265 VanDerWaalsContact O-N 3.12Å
262	V	87.5	Confident	82.9	Confident	36 Å²	36	55.1 Å²	55.1	22%	0.218	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-39.7	177.8	174.5	0	0	0	0	111.3	N258 V259 N265 Q266 F909	N258-V262 WeakPolarHBondContact O-CG2 3.25Å; N258-V262 PolarHBondContact O-N 2.95Å; V259-V262 PolarHBondContact O-N 3.07Å; V262-N265 PolarHBondContact O-N 3.48Å; V262-Q266 WeakPolarHBondContact O-CG 3.43Å; V262-Q266 PolarHBondContact O-N 3.35Å; V262-F909 HydrophobicContact CB-CD1 4.38Å; V262-F909 HydrophobicContact CB-CE1 3.81Å; V262-F909 HydrophobicContact CG1-CD1 3.97Å; V262-F909 HydrophobicContact CG1-CE1 3.47Å; V262-F909 VanDerWaalsContact CG1-CE1 3.47Å; V262-F909 HydrophobicContact CG1-CZ 4.03Å
263	T	87.7	Confident	83.9	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-39.3	177.7	-56.1	0	0	0	0	112.1	V259 D260 R261 N265 Q266 I267 L328 I812 F816	V259-T263 VanDerWaalsContact O-CB 3.29Å; V259-T263 WeakPolarHBondContact O-CB 3.19Å; V259-T263 PolarHBondContact O-N 3.39Å; V259-T263 PolarHBondContact O-OG1 2.89Å; D260-T263 PolarHBondContact O-N 3.17Å; R261-T263 VanDerWaalsContact C-N 3.35Å; R261-T263 PolarHBondContact O-N 2.98Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 2.91Å; T263-Q266 PolarHBondContact O-N 3.23Å; T263-I267 HydrophobicContact CG2-CD1 4.21Å; T263-I267 WeakPolarHBondContact O-CG1 3.44Å; T263-I267 PolarHBondContact O-N 3.32Å; T263-L328 HydrophobicContact CG2-CD2 4.18Å; T263-I812 HydrophobicContact CG2-CG2 4.18Å; T263-F816 HydrophobicContact CG2-CE2 4.26Å; T263-F816 HydrophobicContact CG2-CZ 4.14Å
264	N	85.7	Confident	84.7	Confident	42 Å²	42	51 Å²	51	23%	0.225	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-38	173.3	-79.8	-77.6	0	0	0	111.8	D260 R261 I267 L268	D260-N264 WeakPolarHBondContact O-CB 3.24Å; D260-N264 PolarHBondContact O-N 3.28Å; D260-N264 PolarHBondContact O-ND2 3.01Å; R261-N264 PolarHBondContact O-N 3.42Å; N264-I267 PolarHBondContact O-N 3.37Å; N264-L268 PolarHBondContact O-N 3.47Å
265	N	86.1	Confident	85.6	Confident	98 Å²	98	48.6 Å²	48.6	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-37.9	173.9	-69.4	-4.5	0	0	0	112.1	R261 V262 T263 L268 M269	R261-N265 PolarHBondContact O-N 2.9Å; R261-N265 VanDerWaalsContact O-N 3.12Å; V262-N265 PolarHBondContact O-N 3.48Å; T263-N265 VanDerWaalsContact C-N 3.32Å; T263-N265 PolarHBondContact O-N 2.91Å; N265-L268 PolarHBondContact O-N 2.77Å; N265-M269 WeakPolarHBondContact O-CG 3.36Å; N265-M269 PolarHBondContact O-N 2.72Å
266	Q	87.3	Confident	86	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-40.4	173	-71.4	167.3	3.9	0	0	112.1	V262 T263 L268 M269 L270 F816 F914	V262-Q266 WeakPolarHBondContact O-CG 3.43Å; V262-Q266 PolarHBondContact O-N 3.35Å; T263-Q266 PolarHBondContact O-N 3.23Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3.02Å; Q266-M269 PolarHBondContact O-N 3.16Å; Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 3.31Å; Q266-F816 HydrophobicContact CB-CE2 4.47Å; Q266-F816 HydrophobicContact CB-CZ 4.46Å; Q266-F914 HydrophobicContact CB-CD2 4.19Å; Q266-F914 HydrophobicContact CB-CE2 3.82Å; Q266-F914 HydrophobicContact CB-CZ 4.04Å; Q266-F914 VanDerWaalsContact CD-CD2 3.41Å; Q266-F914 HydrophobicContact CG-CD1 4.35Å; Q266-F914 HydrophobicContact CG-CD2 3.78Å; Q266-F914 HydrophobicContact CG-CE1 4.5Å; Q266-F914 HydrophobicContact CG-CE2 3.94Å; Q266-F914 HydrophobicContact CG-CG 4Å; Q266-F914 HydrophobicContact CG-CZ 4.3Å
267	I	86.4	Confident	86.1	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-41.1	173.7	-70.2	167.1	0	0	0	110.9	T263 N264 L270 F271 I324 F816	T263-I267 HydrophobicContact CG2-CD1 4.21Å; T263-I267 WeakPolarHBondContact O-CG1 3.44Å; T263-I267 PolarHBondContact O-N 3.32Å; N264-I267 PolarHBondContact O-N 3.37Å; I267-L270 PolarHBondContact O-N 3.11Å; I267-F271 PolarHBondContact O-N 3.18Å; I267-I324 HydrophobicContact CG2-CD1 4.3Å; I267-I324 HydrophobicContact CG2-CG2 3.94Å; I267-F816 HydrophobicContact CG1-CE1 4.15Å; I267-F816 HydrophobicContact CG1-CZ 3.93Å
268	L	86.8	Confident	86.1	Confident	99 Å²	99	44.8 Å²	44.8	52%	0.518	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-40.1	175.2	-177.2	62.2	0	0	0	112.2	N264 N265 Q266 F271 I272	N264-L268 PolarHBondContact O-N 3.47Å; N265-L268 PolarHBondContact O-N 2.77Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3.02Å; L268-F271 PolarHBondContact O-N 3.42Å; L268-I272 HydrophobicContact CG-CD1 4.32Å; L268-I272 WeakPolarHBondContact O-CG1 3.4Å; L268-I272 PolarHBondContact O-N 2.91Å
269	M	85.6	Confident	86.3	Confident	74 Å²	74	46.2 Å²	46.2	37%	0.365	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-41.8	173.5	-69.1	174.1	-175.3	0	0	112	N265 Q266 I272 M273 V911	N265-M269 WeakPolarHBondContact O-CG 3.36Å; N265-M269 PolarHBondContact O-N 2.72Å; Q266-M269 PolarHBondContact O-N 3.16Å; M269-I272 PolarHBondContact O-N 3.48Å; M269-M273 WeakPolarHBondContact O-CB 3.39Å; M269-M273 PolarHBondContact O-N 3.36Å; M269-V911 HydrophobicContact SD-CG1 4.42Å
270	L	85.1	Confident	86.2	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-35.4	175	-71.3	172.3	0	0	0	112.6	Q266 I267 M273 L274 L323 I324 F816 I820 F914	Q266-L270 WeakPolarHBondContact O-CG 3.32Å; Q266-L270 PolarHBondContact O-N 3.31Å; I267-L270 PolarHBondContact O-N 3.11Å; L270-M273 PolarHBondContact O-N 3.06Å; L270-L274 WeakPolarHBondContact O-CB 3.3Å; L270-L274 PolarHBondContact O-N 3.01Å; L270-L323 HydrophobicContact CB-CD2 4.17Å; L270-L323 HydrophobicContact CD2-CD2 4.14Å; L270-L323 HydrophobicContact CD2-CG 4.43Å; L270-L323 WeakPolarHBondContact O-CD2 3.4Å; L270-I324 HydrophobicContact CB-CG1 4.32Å; L270-F816 HydrophobicContact CD1-CD1 3.44Å; L270-F816 VanDerWaalsContact CD1-CD1 3.44Å; L270-F816 HydrophobicContact CD1-CE1 3.44Å; L270-F816 VanDerWaalsContact CD1-CE1 3.44Å; L270-F816 HydrophobicContact CD1-CG 4.34Å; L270-F816 HydrophobicContact CD1-CZ 4.32Å; L270-I820 HydrophobicContact CD2-CD1 4.06Å; L270-F914 HydrophobicContact CD1-CZ 4.07Å; L270-F914 HydrophobicContact CD2-CZ 4.2Å; L270-F914 HydrophobicContact CG-CZ 4.02Å
271	F	86.7	Confident	86	Confident	72 Å²	72	47.1 Å²	47.1	32%	0.316	24%	0.24	S	C	.	.	H	α-helix	trans	-64.6	-44.3	173.3	177.3	-101.9	0	0	0	111.9	F49 I267 L268 M273 L274 M275 I324	F49-F271 AromaticContact CD2-CD2 3.7Å; F49-F271 HydrophobicContact CD2-CD2 3.7Å; F49-F271 AromaticContact CD2-CE2 3.72Å; F49-F271 HydrophobicContact CD2-CE2 3.72Å; F49-F271 AromaticContact CE2-CD2 3.66Å; F49-F271 HydrophobicContact CE2-CD2 3.66Å; F49-F271 AromaticContact CE2-CE2 3.73Å; F49-F271 HydrophobicContact CE2-CE2 3.73Å; I267-F271 PolarHBondContact O-N 3.18Å; L268-F271 PolarHBondContact O-N 3.42Å; F271-M273 VanDerWaalsContact C-N 3.31Å; F271-M273 PolarHBondContact O-N 3.24Å; F271-L274 PolarHBondContact O-N 3.33Å; F271-M275 HydrophobicContact CD1-CG 4.43Å; F271-M275 HydrophobicContact CE1-CG 3.97Å; F271-M275 HydrophobicContact CE2-CG 4.08Å; F271-M275 HydrophobicContact CE2-SD 4.22Å; F271-M275 HydrophobicContact CZ-CG 3.78Å; F271-M275 HydrophobicContact CZ-SD 4.06Å; F271-M275 WeakPolarHBondContact O-CG 3.29Å; F271-M275 PolarHBondContact O-N 2.94Å; F271-I324 HydrophobicContact CB-CD1 3.95Å; F271-I324 HydrophobicContact CD2-CD1 4.42Å
272	I	88.3	Confident	86.1	Confident	99 Å²	99	40.8 Å²	40.8	51%	0.508	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-42.6	174	-67	164.3	0	0	0	110.3	L268 M269 M275 V276	L268-I272 HydrophobicContact CG-CD1 4.32Å; L268-I272 WeakPolarHBondContact O-CG1 3.4Å; L268-I272 PolarHBondContact O-N 2.91Å; M269-I272 PolarHBondContact O-N 3.48Å; I272-M275 PolarHBondContact O-N 2.97Å; I272-V276 WeakPolarHBondContact O-CG2 3.39Å; I272-V276 PolarHBondContact O-N 3.33Å; I272-V276 VanDerWaalsContact O-N 3.1Å
273	M	83.2	Confident	86.1	Confident	34 Å²	34	43.2 Å²	43.2	17%	0.167	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-46.8	176.5	-161.2	-177.8	-175.6	0	0	111.6	M269 L270 F271 M275 V276 T277 F845 Q846 W915	M269-M273 WeakPolarHBondContact O-CB 3.39Å; M269-M273 PolarHBondContact O-N 3.36Å; L270-M273 PolarHBondContact O-N 3.06Å; F271-M273 VanDerWaalsContact C-N 3.31Å; F271-M273 PolarHBondContact O-N 3.24Å; M273-M275 VanDerWaalsContact C-N 3.33Å; M273-M275 PolarHBondContact O-N 3.32Å; M273-V276 PolarHBondContact O-N 2.58Å; M273-T277 WeakPolarHBondContact O-CG2 3.34Å; M273-T277 PolarHBondContact O-N 2.77Å; M273-T277 PolarHBondContact O-OG1 2.83Å; M273-T277 VanDerWaalsContact O-OG1 3.11Å; M273-F845 HydrophobicContact CE-CB 3.87Å; M273-Q846 HydrophobicContact CE-CG 3.95Å; M273-Q846 HydrophobicContact SD-CG 4.39Å; M273-Q846 PolarHBondContact SD-NE2 2.78Å; M273-W915 HydrophobicContact SD-CH2 4.3Å; M273-W915 HydrophobicContact SD-CZ3 4.41Å
274	L	86.7	Confident	85.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-41.5	176	177.8	158.2	0	0	0	112.7	F49 L270 F271 V276 T277 S278 I317 Y320 L323	F49-L274 HydrophobicContact CZ-CD1 3.97Å; L270-L274 WeakPolarHBondContact O-CB 3.3Å; L270-L274 PolarHBondContact O-N 3.01Å; F271-L274 PolarHBondContact O-N 3.33Å; L274-V276 VanDerWaalsContact C-N 3.35Å; L274-T277 WeakPolarHBondContact CA-OG1 3.42Å; L274-T277 PolarHBondContact O-N 2.84Å; L274-T277 PolarHBondContact O-OG1 3.4Å; L274-S278 WeakPolarHBondContact O-CB 3.32Å; L274-S278 PolarHBondContact O-N 3.1Å; L274-S278 PolarHBondContact O-OG 2.99Å; L274-I317 HydrophobicContact CD2-CG1 4.42Å; L274-Y320 VanDerWaalsContact CD1-O 3.3Å; L274-Y320 WeakPolarHBondContact CD1-O 3.32Å; L274-L323 HydrophobicContact CB-CD2 4.08Å
275	M	88.6	Confident	85.7	Confident	63 Å²	63	42.3 Å²	42.3	31%	0.31	23%	0.225	S	C	.	.	H	α-helix	trans	-70.7	-30.2	179.1	-69.4	-60.5	-64.5	0	0	112.8	F271 I272 M273 S278 L279 F313 I317	F271-M275 HydrophobicContact CD1-CG 4.43Å; F271-M275 HydrophobicContact CE1-CG 3.97Å; F271-M275 HydrophobicContact CE2-CG 4.08Å; F271-M275 HydrophobicContact CE2-SD 4.22Å; F271-M275 HydrophobicContact CZ-CG 3.78Å; F271-M275 HydrophobicContact CZ-SD 4.06Å; F271-M275 WeakPolarHBondContact O-CG 3.29Å; F271-M275 PolarHBondContact O-N 2.94Å; I272-M275 PolarHBondContact O-N 2.97Å; M273-M275 VanDerWaalsContact C-N 3.33Å; M273-M275 PolarHBondContact O-N 3.32Å; M275-S278 PolarHBondContact O-OG 2.74Å; M275-L279 VanDerWaalsContact O-CB 3.3Å; M275-L279 WeakPolarHBondContact O-CB 3.38Å; M275-L279 PolarHBondContact O-N 2.71Å; M275-F313 HydrophobicContact CE-CE1 4.38Å; M275-F313 HydrophobicContact CE-CZ 3.77Å; M275-I317 HydrophobicContact CE-CD1 4Å; M275-I317 HydrophobicContact SD-CD1 3.89Å; M275-I317 HydrophobicContact SD-CG1 4.16Å
276	V	87.5	Confident	85.6	Confident	82 Å²	82	40.3 Å²	40.3	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-74.1	-41.3	173.3	171.9	0	0	0	0	111	I272 M273 L274 L279 V280	I272-V276 WeakPolarHBondContact O-CG2 3.39Å; I272-V276 PolarHBondContact O-N 3.33Å; I272-V276 VanDerWaalsContact O-N 3.1Å; M273-V276 PolarHBondContact O-N 2.58Å; L274-V276 VanDerWaalsContact C-N 3.35Å; V276-L279 PolarHBondContact O-N 2.75Å; V276-V280 WeakPolarHBondContact O-CG2 3.37Å; V276-V280 PolarHBondContact O-N 3.16Å
277	T	77.8	Confident	85.5	Confident	10 Å²	10	44.3 Å²	44.3	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-75.7	-35.8	-175.9	54.6	0	0	0	0	112.6	M273 L274 L279 S281 F845 Q846	M273-T277 WeakPolarHBondContact O-CG2 3.34Å; M273-T277 PolarHBondContact O-N 2.77Å; M273-T277 PolarHBondContact O-OG1 2.83Å; M273-T277 VanDerWaalsContact O-OG1 3.11Å; L274-T277 WeakPolarHBondContact CA-OG1 3.42Å; L274-T277 PolarHBondContact O-N 2.84Å; L274-T277 PolarHBondContact O-OG1 3.4Å; T277-L279 VanDerWaalsContact C-N 3.33Å; T277-S281 WeakPolarHBondContact O-CB 3.26Å; T277-S281 PolarHBondContact O-N 2.94Å; T277-S281 PolarHBondContact O-OG 2.98Å; T277-F845 WeakPolarHBondContact CG2-O 3.4Å; T277-Q846 HydrophobicContact CG2-CB 3.86Å; T277-Q846 HydrophobicContact CG2-CG 3.79Å; T277-Q846 PolarHBondContact OG1-OE1 2.96Å
278	S	86.2	Confident	85.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.6	-36.8	169.3	63.9	0	0	0	0	112.3	L274 M275 S281 A282 F313 I317	L274-S278 WeakPolarHBondContact O-CB 3.32Å; L274-S278 PolarHBondContact O-N 3.1Å; L274-S278 PolarHBondContact O-OG 2.99Å; M275-S278 PolarHBondContact O-OG 2.74Å; S278-S281 PolarHBondContact O-N 2.63Å; S278-A282 WeakPolarHBondContact O-CB 3.47Å; S278-A282 PolarHBondContact O-N 3.36Å; S278-F313 VanDerWaalsContact OG-CE2 3.31Å; S278-F313 WeakPolarHBondContact OG-CE2 3.4Å; S278-I317 WeakPolarHBondContact OG-CG1 3.43Å
279	L	89.5	Confident	85	Confident	74 Å²	74	42 Å²	42	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-49.1	175.8	-179.7	62.4	0	0	0	111.8	M275 V276 T277 S281 A282 I283 F309 F313	M275-L279 VanDerWaalsContact O-CB 3.3Å; M275-L279 WeakPolarHBondContact O-CB 3.38Å; M275-L279 PolarHBondContact O-N 2.71Å; V276-L279 PolarHBondContact O-N 2.75Å; T277-L279 VanDerWaalsContact C-N 3.33Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 2.62Å; L279-A282 PolarHBondContact O-N 3.25Å; L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CG-CD1 4.14Å; L279-I283 VanDerWaalsContact O-CG1 3.31Å; L279-I283 WeakPolarHBondContact O-CG1 3.29Å; L279-I283 PolarHBondContact O-N 2.92Å; L279-F309 HydrophobicContact CD1-CZ 3.83Å; L279-F313 HydrophobicContact CB-CD2 4.47Å; L279-F313 HydrophobicContact CB-CE2 3.88Å; L279-F313 HydrophobicContact CD1-CE2 4.31Å
280	V	86.3	Confident	84.7	Confident	54 Å²	54	43.3 Å²	43.3	33%	0.327	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-41.4	175.5	169.2	0	0	0	0	111	V276 I283 A284	V276-V280 WeakPolarHBondContact O-CG2 3.37Å; V276-V280 PolarHBondContact O-N 3.16Å; V280-I283 PolarHBondContact O-N 3.17Å; V280-A284 WeakPolarHBondContact O-CB 3.5Å; V280-A284 PolarHBondContact O-N 3.48Å
281	S	82.4	Confident	84.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-39.3	179.6	-54.9	0	0	0	0	112.4	T277 S278 L279 A284 A285 F316 Y320	T277-S281 WeakPolarHBondContact O-CB 3.26Å; T277-S281 PolarHBondContact O-N 2.94Å; T277-S281 PolarHBondContact O-OG 2.98Å; S278-S281 PolarHBondContact O-N 2.63Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 2.62Å; S281-A284 PolarHBondContact O-N 3.46Å; S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 2.89Å; S281-F316 VanDerWaalsContact O-CE2 3.32Å; S281-F316 WeakPolarHBondContact O-CE2 3.4Å; S281-Y320 PolarHBondContact OG-OH 3.38Å
282	A	86.1	Confident	84.1	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-38.4	174.2	0	0	0	0	0	112.6	S278 L279 Q286 F309 F313 F316	S278-A282 WeakPolarHBondContact O-CB 3.47Å; S278-A282 PolarHBondContact O-N 3.36Å; L279-A282 PolarHBondContact O-N 3.25Å; A282-Q286 PolarHBondContact O-N 2.74Å; A282-F309 HydrophobicContact CB-CD2 4.01Å; A282-F309 HydrophobicContact CB-CE2 3.66Å; A282-F309 HydrophobicContact CB-CZ 4.25Å; A282-F313 HydrophobicContact CB-CB 3.82Å; A282-F313 HydrophobicContact CB-CD2 4.18Å; A282-F313 HydrophobicContact CB-CG 4.48Å; A282-F316 HydrophobicContact CB-CD2 4.29Å
283	I	87.8	Confident	83.2	Confident	86 Å²	86	48.7 Å²	48.7	44%	0.441	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-46.6	173	-66.6	166.7	0	0	0	110	L279 V280 A285 Q286 V287 F309	L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CG-CD1 4.14Å; L279-I283 VanDerWaalsContact O-CG1 3.31Å; L279-I283 WeakPolarHBondContact O-CG1 3.29Å; L279-I283 PolarHBondContact O-N 2.92Å; V280-I283 PolarHBondContact O-N 3.17Å; I283-A285 PolarHBondContact O-N 3.24Å; I283-Q286 PolarHBondContact O-N 2.95Å; I283-V287 HydrophobicContact CG2-CG2 4.48Å; I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 3.05Å; I283-F309 HydrophobicContact CG1-CE2 3.88Å; I283-F309 HydrophobicContact CG1-CZ 4.41Å
284	A	83.4	Confident	82.6	Confident	21 Å²	21	56 Å²	56	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-37.5	-179.7	0	0	0	0	0	112.7	V280 S281 V287 W288 W855	V280-A284 WeakPolarHBondContact O-CB 3.5Å; V280-A284 PolarHBondContact O-N 3.48Å; S281-A284 PolarHBondContact O-N 3.46Å; A284-V287 PolarHBondContact O-N 2.86Å; A284-W288 WeakPolarHBondContact O-CB 3.21Å; A284-W288 PolarHBondContact O-N 2.88Å; A284-W855 HydrophobicContact CB-CD2 3.51Å; A284-W855 VanDerWaalsContact CB-CE2 3.4Å; A284-W855 HydrophobicContact CB-CE3 3.81Å; A284-W855 HydrophobicContact CB-CG 4.02Å; A284-W855 HydrophobicContact CB-CH2 3.92Å; A284-W855 HydrophobicContact CB-CZ2 3.62Å; A284-W855 HydrophobicContact CB-CZ3 4Å
285	A	82	Confident	82	Confident	6 Å²	6	60.6 Å²	60.6	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-62	-42.7	171.4	0	0	0	0	0	112.4	S281 I283 W288 S289 F316 W855	S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 2.89Å; I283-A285 PolarHBondContact O-N 3.24Å; A285-W288 PolarHBondContact O-N 2.86Å; A285-S289 WeakPolarHBondContact O-CB 3.33Å; A285-S289 PolarHBondContact O-N 3.24Å; A285-F316 HydrophobicContact CB-CE2 4.06Å; A285-F316 HydrophobicContact CB-CZ 4.42Å; A285-W855 HydrophobicContact CB-CB 3.83Å; A285-W855 WeakPolarHBondContact CB-O 3.38Å
286	Q	84.2	Confident	81.3	Confident	55 Å²	55	58 Å²	58	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-42.7	176.1	-170.1	67	70.7	0	0	111.9	A282 I283 S289 N290 F309	A282-Q286 PolarHBondContact O-N 2.74Å; I283-Q286 PolarHBondContact O-N 2.95Å; Q286-S289 PolarHBondContact O-N 2.9Å; Q286-N290 PolarHBondContact NE2-OD1 3.2Å; Q286-N290 WeakPolarHBondContact O-CB 3.27Å; Q286-N290 PolarHBondContact O-N 3.26Å; Q286-N290 PolarHBondContact O-OD1 3.48Å; Q286-F309 HydrophobicContact CB-CD2 4.5Å
287	V	85.4	Confident	80.8	Confident	86 Å²	86	64.1 Å²	64.1	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.5	170.9	0	0	0	0	110.9	I283 A284 S291	I283-V287 HydrophobicContact CG2-CG2 4.48Å; I283-V287 WeakPolarHBondContact O-CG2 3.28Å; I283-V287 PolarHBondContact O-N 3.05Å; A284-V287 PolarHBondContact O-N 2.86Å; V287-S291 WeakPolarHBondContact O-CB 3.18Å; V287-S291 PolarHBondContact O-N 3.41Å; V287-S291 PolarHBondContact O-OG 3.4Å
288	W	83.4	Confident	80.8	Confident	54 Å²	54	71 Å²	71	21%	0.205	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-48.3	176.9	-173.5	86.8	0	0	0	111.7	A284 A285 N290 S291 Y292 L299 M301 A854	A284-W288 WeakPolarHBondContact O-CB 3.21Å; A284-W288 PolarHBondContact O-N 2.88Å; A285-W288 PolarHBondContact O-N 2.86Å; W288-N290 PolarHBondContact O-N 3.04Å; W288-S291 PolarHBondContact O-N 3.29Å; W288-Y292 AromaticContact CD1-CD2 3.42Å; W288-Y292 VanDerWaalsContact CD1-CD2 3.42Å; W288-Y292 AromaticContact CD1-CE2 3.6Å; W288-Y292 HydrophobicContact CD2-CD2 4.06Å; W288-Y292 AromaticContact CE2-CD2 3.58Å; W288-Y292 AromaticContact CE2-CG 3.92Å; W288-Y292 AromaticContact CG-CD2 3.92Å; W288-Y292 HydrophobicContact CG-CD2 3.92Å; W288-Y292 HydrophobicContact CG-CE2 4.45Å; W288-Y292 HydrophobicContact CZ2-CD2 4.22Å; W288-Y292 HydrophobicContact CZ2-CG 4.07Å; W288-Y292 AromaticContact NE1-CD2 3.19Å; W288-Y292 AromaticContact NE1-CE2 3.52Å; W288-Y292 AromaticContact NE1-CG 3.86Å; W288-Y292 WeakPolarHBondContact O-CD2 3.31Å; W288-Y292 PolarHBondContact O-N 2.75Å; W288-L299 HydrophobicContact CH2-CD1 3.94Å; W288-L299 HydrophobicContact CZ3-CD1 4.07Å; W288-M301 HydrophobicContact CZ3-CE 4.17Å; W288-M301 HydrophobicContact CZ3-SD 4.44Å; W288-A854 HydrophobicContact CD2-CB 3.76Å; W288-A854 VanDerWaalsContact CE2-CB 3.44Å; W288-A854 HydrophobicContact CE3-CB 4.08Å; W288-A854 HydrophobicContact CG-CB 4.41Å; W288-A854 HydrophobicContact CH2-CB 3.91Å; W288-A854 HydrophobicContact CZ2-CB 3.55Å; W288-A854 HydrophobicContact CZ3-CB 4.15Å
289	S	78.7	Confident	80.2	Confident	9 Å²	9	74 Å²	74	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-54.7	-51.9	176.3	-177.1	0	0	0	0	111.3	A285 Q286 S291 Y292 Q293 M301	A285-S289 WeakPolarHBondContact O-CB 3.33Å; A285-S289 PolarHBondContact O-N 3.24Å; Q286-S289 PolarHBondContact O-N 2.9Å; S289-S291 PolarHBondContact O-N 3.25Å; S289-Y292 PolarHBondContact O-N 2.67Å; S289-Q293 WeakPolarHBondContact O-CB 3.38Å; S289-Q293 WeakPolarHBondContact O-CG 3.36Å; S289-Q293 PolarHBondContact O-N 2.82Å; S289-Q293 PolarHBondContact O-NE2 3.33Å; S289-Q293 PolarHBondContact OG-NE2 3.33Å; S289-M301 PolarHBondContact OG-SD 3.19Å
290	N	80.2	Confident	79.3	Confident	101 Å²	101	71.8 Å²	71.8	54%	0.54	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-28.1	179.1	-67.5	7	0	0	0	113.2	Q286 W288	Q286-N290 PolarHBondContact NE2-OD1 3.2Å; Q286-N290 WeakPolarHBondContact O-CB 3.27Å; Q286-N290 PolarHBondContact O-N 3.26Å; Q286-N290 PolarHBondContact O-OD1 3.48Å; W288-N290 PolarHBondContact O-N 3.04Å
291	S	82.1	Confident	78.3	Confident	79 Å²	79	70.4 Å²	70.4	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-86	-27.3	-177.7	-56.2	0	0	0	0	113.9	V287 W288 S289	V287-S291 WeakPolarHBondContact O-CB 3.18Å; V287-S291 PolarHBondContact O-N 3.41Å; V287-S291 PolarHBondContact O-OG 3.4Å; W288-S291 PolarHBondContact O-N 3.29Å; S289-S291 PolarHBondContact O-N 3.25Å
292	Y	77.1	Confident	77.3	Confident	117 Å²	117	77 Å²	77	46%	0.459	39%	0.39	S	S	.	.	H	α-helix	trans	-121	8.8	-171.9	-66.3	-81.3	0	0	0	114	W288 S289 E294 T295 S296	W288-Y292 AromaticContact CD1-CD2 3.42Å; W288-Y292 VanDerWaalsContact CD1-CD2 3.42Å; W288-Y292 AromaticContact CD1-CE2 3.6Å; W288-Y292 HydrophobicContact CD2-CD2 4.06Å; W288-Y292 AromaticContact CE2-CD2 3.58Å; W288-Y292 AromaticContact CE2-CG 3.92Å; W288-Y292 AromaticContact CG-CD2 3.92Å; W288-Y292 HydrophobicContact CG-CD2 3.92Å; W288-Y292 HydrophobicContact CG-CE2 4.45Å; W288-Y292 HydrophobicContact CZ2-CD2 4.22Å; W288-Y292 HydrophobicContact CZ2-CG 4.07Å; W288-Y292 AromaticContact NE1-CD2 3.19Å; W288-Y292 AromaticContact NE1-CE2 3.52Å; W288-Y292 AromaticContact NE1-CG 3.86Å; W288-Y292 WeakPolarHBondContact O-CD2 3.31Å; W288-Y292 PolarHBondContact O-N 2.75Å; S289-Y292 PolarHBondContact O-N 2.67Å; Y292-E294 VanDerWaalsContact C-N 3.32Å; Y292-E294 PolarHBondContact O-N 3.26Å; Y292-T295 WeakPolarHBondContact CA-OG1 3.41Å; Y292-T295 WeakPolarHBondContact CB-OG1 3.3Å; Y292-T295 PolarHBondContact O-N 2.94Å; Y292-T295 VanDerWaalsContact O-N 3.14Å; Y292-T295 PolarHBondContact O-OG1 2.59Å; Y292-S296 WeakPolarHBondContact O-CB 3.42Å; Y292-S296 PolarHBondContact O-N 2.81Å
293	Q	69.2	Low	76.1	Confident	91 Å²	91	85.3 Å²	85.3	43%	0.425	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-42.2	-178	-108	158.9	42.9	0	0	114	S289 M301	S289-Q293 WeakPolarHBondContact O-CB 3.38Å; S289-Q293 WeakPolarHBondContact O-CG 3.36Å; S289-Q293 PolarHBondContact O-N 2.82Å; S289-Q293 PolarHBondContact O-NE2 3.33Å; S289-Q293 PolarHBondContact OG-NE2 3.33Å; Q293-M301 HydrophobicContact CG-CE 4.1Å; Q293-M301 HydrophobicContact CG-SD 4.33Å
294	E	69.7	Low	75	Confident	189 Å²	189	85 Å²	85	88%	0.883	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-38.9	177.9	-61.2	-170.8	162.5	0	0	112.8	Y292	Y292-E294 VanDerWaalsContact C-N 3.32Å; Y292-E294 PolarHBondContact O-N 3.26Å
295	T	74.3	Confident	73.9	Confident	95 Å²	95	90.6 Å²	90.6	58%	0.583	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.8	-178.4	45.7	0	0	0	0	113.5	Y292 W297	Y292-T295 WeakPolarHBondContact CA-OG1 3.41Å; Y292-T295 WeakPolarHBondContact CB-OG1 3.3Å; Y292-T295 PolarHBondContact O-N 2.94Å; Y292-T295 VanDerWaalsContact O-N 3.14Å; Y292-T295 PolarHBondContact O-OG1 2.59Å; T295-W297 PolarHBondContact O-N 2.85Å
296	S	73.2	Confident	73	Confident	9 Å²	9	92 Å²	92	6%	0.063	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	42.5	-173.2	-63.7	0	0	0	0	112.9	Y292 Y298 L299	Y292-S296 WeakPolarHBondContact O-CB 3.42Å; Y292-S296 PolarHBondContact O-N 2.81Å; S296-Y298 PolarHBondContact O-N 3.1Å; S296-L299 WeakPolarHBondContact O-CB 3.45Å; S296-L299 PolarHBondContact O-N 2.74Å
297	W	76.8	Confident	72	Confident	211 Å²	211	91.4 Å²	91.4	80%	0.799	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-49.8	-33.7	-179.2	66.6	-91.5	0	0	0	114.1	T295 L299 G300	T295-W297 PolarHBondContact O-N 2.85Å; W297-L299 PolarHBondContact O-N 3.21Å; W297-G300 PolarHBondContact O-N 3.35Å; W297-G300 VanDerWaalsContact O-N 3.13Å
298	Y	78.5	Confident	71.7	Confident	154 Å²	154	92.8 Å²	92.8	60%	0.604	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-66.5	-12.5	178.9	65.2	-90.7	0	0	0	114.3	S296	S296-Y298 PolarHBondContact O-N 3.1Å
299	L	74.1	Confident	71.8	Confident	63 Å²	63	94.1 Å²	94.1	33%	0.33	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-88.7	-10.7	174.3	-64.4	-178.6	0	0	0	113.6	W288 S296 W297 M301 I304	W288-L299 HydrophobicContact CH2-CD1 3.94Å; W288-L299 HydrophobicContact CZ3-CD1 4.07Å; S296-L299 WeakPolarHBondContact O-CB 3.45Å; S296-L299 PolarHBondContact O-N 2.74Å; W297-L299 PolarHBondContact O-N 3.21Å; L299-M301 HydrophobicContact CB-CG 4.02Å; L299-M301 HydrophobicContact CD1-CE 4.32Å; L299-M301 PolarHBondContact O-N 2.87Å; L299-M301 VanDerWaalsContact O-N 3.13Å; L299-I304 WeakPolarHBondContact O-CD1 3.45Å
300	G	70.5	Confident	72.1	Confident	27 Å²	27	95.6 Å²	95.6	28%	0.278	48%	0.484	S	S	.	.			trans	58.1	27.6	176.2	0	0	0	0	0	115.3	W297 T302 Q303	W297-G300 PolarHBondContact O-N 3.35Å; W297-G300 VanDerWaalsContact O-N 3.13Å; G300-T302 PolarHBondContact O-N 3.02Å; G300-Q303 PolarHBondContact O-N 2.91Å
301	M	65.2	Low	72.3	Confident	26 Å²	26	94.5 Å²	94.5	13%	0.128	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-52.9	-27.6	-164.8	-76	-169.6	-93.4	0	0	115.5	W288 S289 Q293 L299 Q303 T307	W288-M301 HydrophobicContact CZ3-CE 4.17Å; W288-M301 HydrophobicContact CZ3-SD 4.44Å; S289-M301 PolarHBondContact OG-SD 3.19Å; Q293-M301 HydrophobicContact CG-CE 4.1Å; Q293-M301 HydrophobicContact CG-SD 4.33Å; L299-M301 HydrophobicContact CB-CG 4.02Å; L299-M301 HydrophobicContact CD1-CE 4.32Å; L299-M301 PolarHBondContact O-N 2.87Å; L299-M301 VanDerWaalsContact O-N 3.13Å; M301-Q303 VanDerWaalsContact C-N 3.25Å; M301-Q303 PolarHBondContact O-N 3.12Å; M301-T307 HydrophobicContact CB-CG2 4.13Å; M301-T307 HydrophobicContact CG-CG2 4.12Å
302	T	62.3	Low	72.4	Confident	137 Å²	137	92 Å²	92	84%	0.84	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-71.6	-11.2	177.1	48.9	0	0	0	0	114.9	G300	G300-T302 PolarHBondContact O-N 3.02Å
303	Q	60.8	Low	72.9	Confident	175 Å²	175	88.6 Å²	88.6	82%	0.818	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-105.6	-11.2	-177.9	-63.5	-173.3	-11.6	0	0	114.1	G300 M301	G300-Q303 PolarHBondContact O-N 2.91Å; M301-Q303 VanDerWaalsContact C-N 3.25Å; M301-Q303 PolarHBondContact O-N 3.12Å
304	I	63.4	Low	73.9	Confident	80 Å²	80	86.5 Å²	86.5	41%	0.41	43%	0.432	S	S	.	.			trans	-112.8	113.8	-165.4	-44.6	178.6	0	0	0	111	L299 S306 T307	L299-I304 WeakPolarHBondContact O-CD1 3.45Å; I304-S306 VanDerWaalsContact CG2-OG 3.23Å; I304-S306 WeakPolarHBondContact CG2-OG 3.47Å; I304-S306 PolarHBondContact O-N 3.02Å; I304-S306 VanDerWaalsContact O-N 3.17Å; I304-T307 HydrophobicContact CB-CG2 4.37Å; I304-T307 WeakPolarHBondContact O-CB 3.18Å; I304-T307 WeakPolarHBondContact O-CG2 3.23Å; I304-T307 PolarHBondContact O-N 3.18Å; I304-T307 VanDerWaalsContact O-N 3.13Å; I304-T307 PolarHBondContact O-OG1 3.11Å
305	Q	61.8	Low	74.7	Confident	138 Å²	138	78.2 Å²	78.2	65%	0.645	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-59.2	-27.3	-178.6	-71.5	-175.9	-22	0	0	114.1	T307 H308	Q305-T307 PolarHBondContact O-N 3.29Å; Q305-T307 VanDerWaalsContact O-N 3.15Å; Q305-H308 PolarHBondContact O-CD2 3.49Å; Q305-H308 PolarHBondContact O-N 2.77Å
306	S	61.3	Low	75.2	Confident	37 Å²	37	73.7 Å²	73.7	26%	0.259	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-65.6	-13.7	178.4	60.7	0	0	0	0	114.1	I304 H308 Y311 N312	I304-S306 VanDerWaalsContact CG2-OG 3.23Å; I304-S306 WeakPolarHBondContact CG2-OG 3.47Å; I304-S306 PolarHBondContact O-N 3.02Å; I304-S306 VanDerWaalsContact O-N 3.17Å; S306-H308 PolarHBondContact O-N 3.27Å; S306-Y311 WeakPolarHBondContact O-CB 3.15Å; S306-N312 PolarHBondContact O-OD1 3.41Å
307	T	64.6	Low	75.9	Confident	41 Å²	41	73.7 Å²	73.7	25%	0.252	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-69.2	-16.7	173.6	60.3	0	0	0	0	113.7	M301 I304 Q305 N312	M301-T307 HydrophobicContact CB-CG2 4.13Å; M301-T307 HydrophobicContact CG-CG2 4.12Å; I304-T307 HydrophobicContact CB-CG2 4.37Å; I304-T307 WeakPolarHBondContact O-CB 3.18Å; I304-T307 WeakPolarHBondContact O-CG2 3.23Å; I304-T307 PolarHBondContact O-N 3.18Å; I304-T307 VanDerWaalsContact O-N 3.13Å; I304-T307 PolarHBondContact O-OG1 3.11Å; Q305-T307 PolarHBondContact O-N 3.29Å; Q305-T307 VanDerWaalsContact O-N 3.15Å; T307-N312 PolarHBondContact O-ND2 2.86Å
308	H	79.1	Confident	76.4	Confident	116 Å²	116	63.6 Å²	63.6	54%	0.537	33%	0.328	S	S	.	.	S	Bend	trans	-63.1	136.9	175.9	-71.7	-54.5	0	0	0	111.7	Q305 S306 G310 Y311 N312	Q305-H308 PolarHBondContact O-CD2 3.49Å; Q305-H308 PolarHBondContact O-N 2.77Å; S306-H308 PolarHBondContact O-N 3.27Å; H308-G310 PolarHBondContact O-N 3.26Å; H308-Y311 HydrophobicContact CB-CD2 4.26Å; H308-Y311 WeakPolarHBondContact O-CB 3.2Å; H308-Y311 PolarHBondContact O-N 3.06Å; H308-N312 PolarHBondContact O-N 3.04Å; H308-N312 VanDerWaalsContact O-N 3.12Å
309	F	84.6	Confident	76.5	Confident	82 Å²	82	56.6 Å²	56.6	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-40.6	-44.4	175.8	177.4	-99.5	0	0	0	114.7	L279 A282 I283 Q286 N312 F313	L279-F309 HydrophobicContact CD1-CZ 3.83Å; A282-F309 HydrophobicContact CB-CD2 4.01Å; A282-F309 HydrophobicContact CB-CE2 3.66Å; A282-F309 HydrophobicContact CB-CZ 4.25Å; I283-F309 HydrophobicContact CG1-CE2 3.88Å; I283-F309 HydrophobicContact CG1-CZ 4.41Å; Q286-F309 HydrophobicContact CB-CD2 4.5Å; F309-N312 PolarHBondContact O-N 3.4Å; F309-F313 VanDerWaalsContact O-CB 3.3Å; F309-F313 WeakPolarHBondContact O-CB 3.34Å; F309-F313 PolarHBondContact O-N 3.5Å
310	G	84.7	Confident	76.9	Confident	39 Å²	39	53.8 Å²	53.8	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-35.3	179.3	0	0	0	0	0	114.4	H308 L314	H308-G310 PolarHBondContact O-N 3.26Å; G310-L314 WeakPolarHBondContact O-CG 3.49Å; G310-L314 PolarHBondContact O-N 3.41Å
311	Y	85.4	Confident	77.6	Confident	79 Å²	79	52.5 Å²	52.5	31%	0.31	27%	0.273	S	S	.	.	H	α-helix	trans	-70.1	-50.1	174.1	-82.8	-106.6	0	0	0	110.1	V62 S306 H308 F313 L314 T315	V62-Y311 HydrophobicContact CG2-CD1 3.59Å; V62-Y311 HydrophobicContact CG2-CE1 3.87Å; S306-Y311 WeakPolarHBondContact O-CB 3.15Å; H308-Y311 HydrophobicContact CB-CD2 4.26Å; H308-Y311 WeakPolarHBondContact O-CB 3.2Å; H308-Y311 PolarHBondContact O-N 3.06Å; Y311-F313 VanDerWaalsContact C-N 3.28Å; Y311-F313 PolarHBondContact O-N 3.46Å; Y311-L314 PolarHBondContact O-N 2.77Å; Y311-L314 VanDerWaalsContact O-N 3.11Å; Y311-T315 PolarHBondContact O-N 3.33Å; Y311-T315 PolarHBondContact O-OG1 3.02Å
312	N	84.1	Confident	78.2	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.134	27%	0.27	C	S	.	.	H	α-helix	trans	-53	-44.8	174.8	-73.5	-42.6	0	0	0	112.2	S306 T307 H308 F309 L314 T315 F316	S306-N312 PolarHBondContact O-OD1 3.41Å; T307-N312 PolarHBondContact O-ND2 2.86Å; H308-N312 PolarHBondContact O-N 3.04Å; H308-N312 VanDerWaalsContact O-N 3.12Å; F309-N312 PolarHBondContact O-N 3.4Å; N312-L314 PolarHBondContact O-N 3.13Å; N312-T315 WeakPolarHBondContact O-CB 3.27Å; N312-T315 PolarHBondContact O-N 3.45Å; N312-F316 HydrophobicContact CB-CE2 4.43Å; N312-F316 WeakPolarHBondContact O-CD2 3.22Å; N312-F316 PolarHBondContact O-N 2.99Å
313	F	88.4	Confident	79.1	Confident	46 Å²	46	45.5 Å²	45.5	20%	0.202	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-43.9	177.3	-178.7	-121.5	0	0	0	112.9	M275 S278 L279 A282 F309 Y311 F316 I317	M275-F313 HydrophobicContact CE-CE1 4.38Å; M275-F313 HydrophobicContact CE-CZ 3.77Å; S278-F313 VanDerWaalsContact OG-CE2 3.31Å; S278-F313 WeakPolarHBondContact OG-CE2 3.4Å; L279-F313 HydrophobicContact CB-CD2 4.47Å; L279-F313 HydrophobicContact CB-CE2 3.88Å; L279-F313 HydrophobicContact CD1-CE2 4.31Å; A282-F313 HydrophobicContact CB-CB 3.82Å; A282-F313 HydrophobicContact CB-CD2 4.18Å; A282-F313 HydrophobicContact CB-CG 4.48Å; F309-F313 VanDerWaalsContact O-CB 3.3Å; F309-F313 WeakPolarHBondContact O-CB 3.34Å; F309-F313 PolarHBondContact O-N 3.5Å; Y311-F313 VanDerWaalsContact C-N 3.28Å; Y311-F313 PolarHBondContact O-N 3.46Å; F313-F316 PolarHBondContact O-N 2.6Å; F313-I317 HydrophobicContact CD1-CD1 3.98Å; F313-I317 HydrophobicContact CD2-CD1 4.39Å; F313-I317 HydrophobicContact CE1-CD1 3.64Å; F313-I317 HydrophobicContact CE2-CD1 4.07Å; F313-I317 HydrophobicContact CE2-CG1 4.48Å; F313-I317 HydrophobicContact CG-CD1 4.36Å; F313-I317 HydrophobicContact CZ-CD1 3.7Å; F313-I317 WeakPolarHBondContact O-CG1 3.29Å; F313-I317 PolarHBondContact O-N 3.02Å
314	L	89	Confident	80.2	Confident	47 Å²	47	37.3 Å²	37.3	25%	0.246	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-40.3	173.9	-67.9	173	0	0	0	111.9	L56 V62 G310 Y311 N312 F316 I317 I318	L56-L314 HydrophobicContact CD1-CD2 4.01Å; L56-L314 HydrophobicContact CD2-CD2 4.09Å; V62-L314 HydrophobicContact CG1-CB 3.52Å; G310-L314 WeakPolarHBondContact O-CG 3.49Å; G310-L314 PolarHBondContact O-N 3.41Å; Y311-L314 PolarHBondContact O-N 2.77Å; Y311-L314 VanDerWaalsContact O-N 3.11Å; N312-L314 PolarHBondContact O-N 3.13Å; L314-F316 VanDerWaalsContact C-N 3.34Å; L314-F316 PolarHBondContact O-N 2.95Å; L314-I317 PolarHBondContact O-N 2.62Å; L314-I318 WeakPolarHBondContact O-CG1 3.48Å; L314-I318 PolarHBondContact O-N 3.44Å
315	T	86.1	Confident	81	Confident	15 Å²	15	33.8 Å²	33.8	9%	0.092	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-46	174.6	-57.6	0	0	0	0	111.1	V62 P64 Y311 N312 I318 L319	V62-T315 PolarHBondContact O-OG1 2.73Å; P64-T315 HydrophobicContact CB-CG2 4.36Å; P64-T315 HydrophobicContact CG-CG2 4.09Å; Y311-T315 PolarHBondContact O-N 3.33Å; Y311-T315 PolarHBondContact O-OG1 3.02Å; N312-T315 WeakPolarHBondContact O-CB 3.27Å; N312-T315 PolarHBondContact O-N 3.45Å; T315-I318 PolarHBondContact O-N 3.14Å; T315-L319 WeakPolarHBondContact O-CB 3.34Å; T315-L319 PolarHBondContact O-N 3.2Å
316	F	86.2	Confident	82	Confident	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-36.6	176.3	-71	-61.8	0	0	0	113.5	S281 A282 A285 N312 F313 L314 I318 L319 Y320 W855	S281-F316 VanDerWaalsContact O-CE2 3.32Å; S281-F316 WeakPolarHBondContact O-CE2 3.4Å; A282-F316 HydrophobicContact CB-CD2 4.29Å; A285-F316 HydrophobicContact CB-CE2 4.06Å; A285-F316 HydrophobicContact CB-CZ 4.42Å; N312-F316 HydrophobicContact CB-CE2 4.43Å; N312-F316 WeakPolarHBondContact O-CD2 3.22Å; N312-F316 PolarHBondContact O-N 2.99Å; F313-F316 PolarHBondContact O-N 2.6Å; L314-F316 VanDerWaalsContact C-N 3.34Å; L314-F316 PolarHBondContact O-N 2.95Å; F316-I318 VanDerWaalsContact C-N 3.3Å; F316-I318 PolarHBondContact O-N 3.28Å; F316-L319 HydrophobicContact CD1-CD2 4.16Å; F316-L319 HydrophobicContact CE1-CD2 4.49Å; F316-L319 PolarHBondContact O-N 2.94Å; F316-Y320 HydrophobicContact CB-CD2 4.34Å; F316-Y320 HydrophobicContact CB-CE2 4.05Å; F316-Y320 AromaticContact CD1-CE2 3.99Å; F316-Y320 HydrophobicContact CD1-CE2 3.99Å; F316-Y320 AromaticContact CD1-CZ 3.97Å; F316-Y320 HydrophobicContact CG-CE2 4.37Å; F316-Y320 VanDerWaalsContact O-CD2 3.29Å; F316-Y320 WeakPolarHBondContact O-CD2 3.45Å; F316-Y320 PolarHBondContact O-N 3.09Å; F316-W855 HydrophobicContact CZ-CB 4.33Å; F316-W855 WeakPolarHBondContact CZ-O 3.2Å
317	I	87.8	Confident	83.1	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-41.1	172.1	-75	170.1	0	0	0	111.1	I53 L56 L274 M275 S278 F313 L314 N321	I53-I317 HydrophobicContact CD1-CG2 3.53Å; L56-I317 HydrophobicContact CD1-CG2 4.26Å; L274-I317 HydrophobicContact CD2-CG1 4.42Å; M275-I317 HydrophobicContact CE-CD1 4Å; M275-I317 HydrophobicContact SD-CD1 3.89Å; M275-I317 HydrophobicContact SD-CG1 4.16Å; S278-I317 WeakPolarHBondContact OG-CG1 3.43Å; F313-I317 HydrophobicContact CD1-CD1 3.98Å; F313-I317 HydrophobicContact CD2-CD1 4.39Å; F313-I317 HydrophobicContact CE1-CD1 3.64Å; F313-I317 HydrophobicContact CE2-CD1 4.07Å; F313-I317 HydrophobicContact CE2-CG1 4.48Å; F313-I317 HydrophobicContact CG-CD1 4.36Å; F313-I317 HydrophobicContact CZ-CD1 3.7Å; F313-I317 WeakPolarHBondContact O-CG1 3.29Å; F313-I317 PolarHBondContact O-N 3.02Å; L314-I317 PolarHBondContact O-N 2.62Å; I317-N321 PolarHBondContact O-N 3.35Å
318	I	86.5	Confident	84.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.5	-39.6	176.5	-63.4	176	0	0	0	111	L56 Q57 V62 L314 T315 F316 N321	L56-I318 HydrophobicContact CB-CD1 4.09Å; L56-I318 HydrophobicContact CB-CG1 4.31Å; Q57-I318 HydrophobicContact CG-CD1 4.11Å; Q57-I318 HydrophobicContact CG-CG1 4.42Å; Q57-I318 HydrophobicContact CG-CG2 3.69Å; V62-I318 HydrophobicContact CG1-CD1 3.85Å; L314-I318 WeakPolarHBondContact O-CG1 3.48Å; L314-I318 PolarHBondContact O-N 3.44Å; T315-I318 PolarHBondContact O-N 3.14Å; F316-I318 VanDerWaalsContact C-N 3.3Å; F316-I318 PolarHBondContact O-N 3.28Å; I318-N321 WeakPolarHBondContact O-CB 3.29Å; I318-N321 PolarHBondContact O-N 2.72Å; I318-N321 PolarHBondContact O-OD1 2.68Å
319	L	81.2	Confident	84.2	Confident	7 Å²	7	21 Å²	21	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-45.6	180	-171.8	66.2	0	0	0	111.9	P64 T315 F316 N321 E826 T859	P64-L319 HydrophobicContact CG-CB 4.29Å; P64-L319 HydrophobicContact CG-CD1 4.07Å; T315-L319 WeakPolarHBondContact O-CB 3.34Å; T315-L319 PolarHBondContact O-N 3.2Å; F316-L319 HydrophobicContact CD1-CD2 4.16Å; F316-L319 HydrophobicContact CE1-CD2 4.49Å; F316-L319 PolarHBondContact O-N 2.94Å; L319-N321 VanDerWaalsContact C-N 3.34Å; L319-N321 PolarHBondContact O-N 3.01Å; L319-E826 WeakPolarHBondContact CD1-OE2 3.39Å; L319-E826 WeakPolarHBondContact CG-OE2 3.42Å; L319-T859 HydrophobicContact CD1-CG2 3.64Å
320	Y	82.2	Confident	84.1	Confident	3 Å²	3	18.2 Å²	18.2	1%	0.012	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.7	-177.6	-55.5	-36.3	0	0	0	114	L274 S281 F316 N322 L323 E826 L847	L274-Y320 VanDerWaalsContact CD1-O 3.3Å; L274-Y320 WeakPolarHBondContact CD1-O 3.32Å; S281-Y320 PolarHBondContact OG-OH 3.38Å; F316-Y320 HydrophobicContact CB-CD2 4.34Å; F316-Y320 HydrophobicContact CB-CE2 4.05Å; F316-Y320 AromaticContact CD1-CE2 3.99Å; F316-Y320 HydrophobicContact CD1-CE2 3.99Å; F316-Y320 AromaticContact CD1-CZ 3.97Å; F316-Y320 HydrophobicContact CG-CE2 4.37Å; F316-Y320 VanDerWaalsContact O-CD2 3.29Å; F316-Y320 WeakPolarHBondContact O-CD2 3.45Å; F316-Y320 PolarHBondContact O-N 3.09Å; Y320-N322 PolarHBondContact O-N 2.76Å; Y320-N322 VanDerWaalsContact O-N 3.11Å; Y320-L323 WeakPolarHBondContact O-CB 3.31Å; Y320-L323 PolarHBondContact O-N 2.72Å; Y320-E826 HydrophobicContact CE1-CB 4.4Å; Y320-E826 PolarHBondContact OH-O 3.05Å; Y320-L847 WeakPolarHBondContact OH-CD2 3.18Å
321	N	85.1	Confident	84.3	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37.7	-173.4	75.2	-28.6	0	0	0	114.3	F49 I53 T70 I317 I318 L319 L323 I324	F49-N321 HydrophobicContact CZ-CB 4.28Å; I53-N321 HydrophobicContact CD1-CB 4.29Å; I53-N321 HydrophobicContact CG1-CB 4.14Å; I53-N321 HydrophobicContact CG2-CB 3.83Å; I53-N321 WeakPolarHBondContact CG2-ND2 3.4Å; T70-N321 PolarHBondContact OG1-ND2 2.83Å; I317-N321 PolarHBondContact O-N 3.35Å; I318-N321 WeakPolarHBondContact O-CB 3.29Å; I318-N321 PolarHBondContact O-N 2.72Å; I318-N321 PolarHBondContact O-OD1 2.68Å; L319-N321 VanDerWaalsContact C-N 3.34Å; L319-N321 PolarHBondContact O-N 3.01Å; N321-L323 PolarHBondContact O-N 3.48Å; N321-I324 PolarHBondContact O-N 3.24Å
322	N	77.9	Confident	84.5	Confident	14 Å²	14	13.5 Å²	13.5	8%	0.075	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-76.9	-2.6	-176.4	-64.7	-61.6	0	0	0	113.8	Y320 I324 I326 N819 Y823	Y320-N322 PolarHBondContact O-N 2.76Å; Y320-N322 VanDerWaalsContact O-N 3.11Å; N322-I324 PolarHBondContact O-N 3.02Å; N322-I326 WeakPolarHBondContact OD1-CD1 3.44Å; N322-N819 PolarHBondContact O-OD1 3.08Å; N322-Y823 HydrophobicContact CB-CD1 4.05Å; N322-Y823 HydrophobicContact CB-CD2 3.7Å; N322-Y823 HydrophobicContact CB-CE1 3.58Å; N322-Y823 HydrophobicContact CB-CE2 3.23Å; N322-Y823 HydrophobicContact CB-CG 4.12Å; N322-Y823 WeakPolarHBondContact CB-OH 3.38Å; N322-Y823 WeakPolarHBondContact O-CD2 3.44Å
323	L	80.7	Confident	84.5	Confident	3 Å²	3	13 Å²	13	2%	0.016	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-51.9	-38.3	163.3	-175.8	89.2	0	0	0	110.4	L270 L274 Y320 N321 P325 I820 I824 Q846	L270-L323 HydrophobicContact CB-CD2 4.17Å; L270-L323 HydrophobicContact CD2-CD2 4.14Å; L270-L323 HydrophobicContact CD2-CG 4.43Å; L270-L323 WeakPolarHBondContact O-CD2 3.4Å; L274-L323 HydrophobicContact CB-CD2 4.08Å; Y320-L323 WeakPolarHBondContact O-CB 3.31Å; Y320-L323 PolarHBondContact O-N 2.72Å; N321-L323 PolarHBondContact O-N 3.48Å; L323-P325 WeakPolarHBondContact O-CD 3.38Å; L323-I820 HydrophobicContact CD1-CG1 3.91Å; L323-I820 HydrophobicContact CG-CG1 4.5Å; L323-I824 HydrophobicContact CD1-CD1 4.35Å; L323-I824 HydrophobicContact CD1-CG1 4.32Å; L323-Q846 HydrophobicContact CD1-CG 4.48Å
324	I	83.6	Confident	84.5	Confident	3 Å²	3	13.4 Å²	13.4	2%	0.015	8%	0.075	C	C	.	.	S	Bend	trans	-85.3	116.2	169.2	-53.3	-177.6	0	0	0	107.7	F49 F50 I267 L270 F271 N321 N322 I326	F49-I324 HydrophobicContact CD1-CB 4.46Å; F49-I324 HydrophobicContact CD1-CD1 4.04Å; F49-I324 HydrophobicContact CE1-CB 4.05Å; F49-I324 HydrophobicContact CE1-CD1 3.8Å; F49-I324 HydrophobicContact CE1-CG1 4.26Å; F49-I324 HydrophobicContact CE2-CD1 4.35Å; F49-I324 HydrophobicContact CG-CD1 4.41Å; F49-I324 HydrophobicContact CZ-CD1 3.97Å; F50-I324 HydrophobicContact CE1-CB 4.47Å; F50-I324 HydrophobicContact CZ-CB 4.18Å; F50-I324 HydrophobicContact CZ-CG2 3.83Å; F50-I324 WeakPolarHBondContact CZ-O 3.39Å; I267-I324 HydrophobicContact CG2-CD1 4.3Å; I267-I324 HydrophobicContact CG2-CG2 3.94Å; L270-I324 HydrophobicContact CB-CG1 4.32Å; F271-I324 HydrophobicContact CB-CD1 3.95Å; F271-I324 HydrophobicContact CD2-CD1 4.42Å; N321-I324 PolarHBondContact O-N 3.24Å; N322-I324 PolarHBondContact O-N 3.02Å; I324-I326 PolarHBondContact O-N 2.94Å; I324-I326 VanDerWaalsContact O-N 3.14Å
325	P	81.9	Confident	84.7	Confident	5 Å²	5	11.1 Å²	11.1	3%	0.032	6%	0.063	C	C	.	.			trans	-72.6	106.3	-170.8	27.7	-36.6	0	0	0	112.8	L323 S327 L328 F816 N819	L323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.26Å; P325-L328 HydrophobicContact CB-CB 3.92Å; P325-L328 HydrophobicContact CG-CB 3.59Å; P325-L328 HydrophobicContact CG-CD2 3.73Å; P325-L328 HydrophobicContact CG-CG 4.27Å; P325-L328 WeakPolarHBondContact O-CB 3.3Å; P325-L328 PolarHBondContact O-N 3.17Å; P325-F816 HydrophobicContact CG-CD1 3.83Å; P325-F816 HydrophobicContact CG-CE1 3.83Å; P325-N819 WeakPolarHBondContact CB-ND2 3.12Å
326	I	81.1	Confident	85	Confident	13 Å²	13	10.8 Å²	10.8	7%	0.067	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-44.8	-179.2	-32.4	-175.4	0	0	0	112.1	F50 T70 P73 I77 N322 I324 L328	F50-I326 HydrophobicContact CD1-CD1 4.48Å; F50-I326 HydrophobicContact CD1-CG1 4.1Å; F50-I326 HydrophobicContact CD1-CG2 4.15Å; F50-I326 HydrophobicContact CD2-CG2 3.77Å; F50-I326 HydrophobicContact CE1-CB 4.2Å; F50-I326 HydrophobicContact CE1-CD1 4.47Å; F50-I326 HydrophobicContact CE1-CG1 3.67Å; F50-I326 HydrophobicContact CE1-CG2 4.23Å; F50-I326 HydrophobicContact CE2-CB 4.19Å; F50-I326 HydrophobicContact CE2-CG2 3.86Å; F50-I326 HydrophobicContact CG-CG2 3.95Å; F50-I326 VanDerWaalsContact CZ-CA 3.48Å; F50-I326 HydrophobicContact CZ-CB 4Å; F50-I326 HydrophobicContact CZ-CG1 3.94Å; F50-I326 HydrophobicContact CZ-CG2 4.09Å; T70-I326 HydrophobicContact CG2-CD1 4.33Å; P73-I326 HydrophobicContact CB-CD1 4.47Å; I77-I326 HydrophobicContact CD1-CB 4.37Å; I77-I326 HydrophobicContact CD1-CG2 3.54Å; I77-I326 WeakPolarHBondContact CD1-O 3.23Å; N322-I326 WeakPolarHBondContact OD1-CD1 3.44Å; I324-I326 PolarHBondContact O-N 2.94Å; I324-I326 VanDerWaalsContact O-N 3.14Å; I326-L328 VanDerWaalsContact C-N 3.29Å; I326-L328 PolarHBondContact O-N 3.26Å
327	S	84.1	Confident	85.1	Confident	17 Å²	17	14.8 Å²	14.8	12%	0.119	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.3	-177.6	53.9	0	0	0	0	115	P325 Q329 T331 N870	P325-S327 VanDerWaalsContact C-N 3.29Å; P325-S327 PolarHBondContact O-N 3.26Å; S327-Q329 PolarHBondContact O-N 2.69Å; S327-T331 WeakPolarHBondContact O-CB 3.4Å; S327-T331 PolarHBondContact O-N 3.41Å; S327-T331 PolarHBondContact O-OG1 2.74Å; S327-N870 WeakPolarHBondContact CB-O 3.47Å; S327-N870 PolarHBondContact OG-O 3.3Å
328	L	86.2	Confident	85.4	Confident	4 Å²	4	16.2 Å²	16.2	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-47.6	-178.2	174.5	62.1	0	0	0	111.9	T263 P325 I326 V330 T331 L332 L811 F816	T263-L328 HydrophobicContact CG2-CD2 4.18Å; P325-L328 HydrophobicContact CB-CB 3.92Å; P325-L328 HydrophobicContact CG-CB 3.59Å; P325-L328 HydrophobicContact CG-CD2 3.73Å; P325-L328 HydrophobicContact CG-CG 4.27Å; P325-L328 WeakPolarHBondContact O-CB 3.3Å; P325-L328 PolarHBondContact O-N 3.17Å; I326-L328 VanDerWaalsContact C-N 3.29Å; I326-L328 PolarHBondContact O-N 3.26Å; L328-V330 PolarHBondContact O-N 3.21Å; L328-T331 PolarHBondContact O-N 3.06Å; L328-L332 HydrophobicContact CD1-CD1 3.82Å; L328-L332 HydrophobicContact CD1-CD2 4.39Å; L328-L332 HydrophobicContact CD1-CG 3.91Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.37Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.82Å; L328-L811 HydrophobicContact CD1-CD2 4.08Å; L328-F816 HydrophobicContact CD2-CE1 4.03Å; L328-F816 HydrophobicContact CD2-CE2 4.24Å; L328-F816 HydrophobicContact CD2-CZ 3.75Å
329	Q	82.3	Confident	85.7	Confident	29 Å²	29	16.3 Å²	16.3	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-175.8	-64.4	-152.8	-12.1	0	0	112.4	R44 S327 L332 E333	R44-Q329 VanDerWaalsContact CD-OE1 3.26Å; S327-Q329 PolarHBondContact O-N 2.69Å; Q329-L332 PolarHBondContact O-N 2.74Å; Q329-E333 WeakPolarHBondContact O-CG 3.3Å; Q329-E333 PolarHBondContact O-N 2.67Å
330	V	82.5	Confident	86.3	Confident	24 Å²	24	16.3 Å²	16.3	15%	0.145	9%	0.088	C	C	.	.	H	α-helix	trans	-70.5	-35.7	176.2	173.8	0	0	0	0	111.9	I77 V80 L328 L332 E333 V334	I77-V330 HydrophobicContact CB-CG2 3.95Å; I77-V330 HydrophobicContact CG1-CG2 3.74Å; I77-V330 HydrophobicContact CG2-CG2 3.57Å; V80-V330 HydrophobicContact CG1-CG1 4.17Å; L328-V330 PolarHBondContact O-N 3.21Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 2.72Å; V330-E333 PolarHBondContact O-N 2.91Å; V330-V334 HydrophobicContact CG1-CG2 4.02Å; V330-V334 WeakPolarHBondContact O-CB 3.48Å; V330-V334 VanDerWaalsContact O-CG2 3.28Å; V330-V334 WeakPolarHBondContact O-CG2 3.33Å; V330-V334 PolarHBondContact O-N 2.95Å
331	T	87.8	Confident	86.8	Confident	14 Å²	14	19.2 Å²	19.2	9%	0.086	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-43.5	174.5	-54.2	0	0	0	0	110.6	S327 L328 V335 L811 P878 L879	S327-T331 WeakPolarHBondContact O-CB 3.4Å; S327-T331 PolarHBondContact O-N 3.41Å; S327-T331 PolarHBondContact O-OG1 2.74Å; L328-T331 PolarHBondContact O-N 3.06Å; T331-V335 WeakPolarHBondContact O-CB 3.03Å; T331-V335 VanDerWaalsContact O-CG2 3.29Å; T331-V335 WeakPolarHBondContact O-CG2 3.45Å; T331-V335 PolarHBondContact O-N 2.93Å; T331-L811 HydrophobicContact CG2-CD1 4.11Å; T331-L811 HydrophobicContact CG2-CD2 4.13Å; T331-L811 HydrophobicContact CG2-CG 4.35Å; T331-P878 HydrophobicContact CG2-CB 3.74Å; T331-L879 HydrophobicContact CG2-CD2 3.84Å; T331-L879 HydrophobicContact CG2-CG 4.32Å
332	L	89	Confident	87.3	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-46.8	174.7	-67.5	168.1	0	0	0	111.9	L328 Q329 V330 V335 R336 M808 L811 I812	L328-L332 HydrophobicContact CD1-CD1 3.82Å; L328-L332 HydrophobicContact CD1-CD2 4.39Å; L328-L332 HydrophobicContact CD1-CG 3.91Å; L328-L332 HydrophobicContact CG-CD1 3.85Å; L328-L332 HydrophobicContact CG-CG 4.37Å; L328-L332 VanDerWaalsContact O-CG 3.29Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.82Å; Q329-L332 PolarHBondContact O-N 2.74Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 2.72Å; L332-V335 PolarHBondContact O-N 2.74Å; L332-R336 VanDerWaalsContact O-CB 3.24Å; L332-R336 WeakPolarHBondContact O-CB 3.34Å; L332-R336 WeakPolarHBondContact O-CD 3.24Å; L332-R336 VanDerWaalsContact O-CG 3.3Å; L332-R336 WeakPolarHBondContact O-CG 3.47Å; L332-R336 PolarHBondContact O-N 3.46Å; L332-M808 HydrophobicContact CB-CE 4.34Å; L332-M808 HydrophobicContact CD2-CE 3.45Å; L332-M808 VanDerWaalsContact CD2-CE 3.45Å; L332-M808 HydrophobicContact CD2-SD 3.96Å; L332-M808 HydrophobicContact CG-CE 4.49Å; L332-L811 HydrophobicContact CD2-CD2 3.74Å; L332-L811 HydrophobicContact CG-CD2 4.33Å; L332-I812 HydrophobicContact CD2-CD1 4.09Å; L332-I812 HydrophobicContact CD2-CG1 3.72Å
333	E	84.9	Confident	88.1	Confident	14 Å²	14	22.1 Å²	22.1	7%	0.065	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-43	178.8	-75	-170.4	157.9	0	0	113	R44 S81 Q329 V330 F337	R44-E333 IonicContact CZ-OE1 2.74Å; R44-E333 IonicContact NH1-OE1 2.75Å; R44-E333 PolarHBondContact NH1-OE1 3.44Å; R44-E333 IonicContact NH2-OE1 3.31Å; R44-E333 PolarHBondContact NH2-OE1 3.3Å; S81-E333 PolarHBondContact OG-OE2 3.27Å; Q329-E333 WeakPolarHBondContact O-CG 3.3Å; Q329-E333 PolarHBondContact O-N 2.67Å; V330-E333 PolarHBondContact O-N 2.91Å; E333-F337 VanDerWaalsContact O-CB 3.27Å; E333-F337 WeakPolarHBondContact O-CB 3.35Å; E333-F337 PolarHBondContact O-N 3.1Å
334	V	87.9	Confident	88.7	Confident	55 Å²	55	24.7 Å²	24.7	33%	0.333	13%	0.129	S	C	.	.	H	α-helix	trans	-65.8	-43.1	177.7	170.1	0	0	0	0	110.6	V330 F337 V338 L879	V330-V334 HydrophobicContact CG1-CG2 4.02Å; V330-V334 WeakPolarHBondContact O-CB 3.48Å; V330-V334 VanDerWaalsContact O-CG2 3.28Å; V330-V334 WeakPolarHBondContact O-CG2 3.33Å; V330-V334 PolarHBondContact O-N 2.95Å; V334-F337 PolarHBondContact O-N 3.48Å; V334-V338 WeakPolarHBondContact O-CG2 3.08Å; V334-V338 PolarHBondContact O-N 3.28Å; V334-L879 HydrophobicContact CB-CD2 4.39Å; V334-L879 HydrophobicContact CG1-CD2 3.99Å
335	V	92.8	Very high	89.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-47.2	177.5	165.9	0	0	0	0	111.5	T331 L332 F337 V338 Q339 M808 L811 L879 G882 L883	T331-V335 WeakPolarHBondContact O-CB 3.03Å; T331-V335 VanDerWaalsContact O-CG2 3.29Å; T331-V335 WeakPolarHBondContact O-CG2 3.45Å; T331-V335 PolarHBondContact O-N 2.93Å; L332-V335 PolarHBondContact O-N 2.74Å; V335-F337 VanDerWaalsContact C-N 3.32Å; V335-F337 PolarHBondContact O-N 3.39Å; V335-V338 PolarHBondContact O-N 3.07Å; V335-Q339 HydrophobicContact CG1-CG 4.22Å; V335-Q339 VanDerWaalsContact CG1-NE2 3.28Å; V335-Q339 VanDerWaalsContact O-CB 3.29Å; V335-Q339 WeakPolarHBondContact O-CB 3.43Å; V335-Q339 VanDerWaalsContact O-CG 3.24Å; V335-Q339 WeakPolarHBondContact O-CG 3.45Å; V335-Q339 PolarHBondContact O-N 2.88Å; V335-M808 HydrophobicContact CB-SD 4.41Å; V335-M808 HydrophobicContact CG1-SD 3.7Å; V335-L811 HydrophobicContact CB-CD1 4.16Å; V335-L811 HydrophobicContact CG1-CD1 4.16Å; V335-L811 HydrophobicContact CG2-CD1 3.73Å; V335-L879 HydrophobicContact CG2-CD2 3.77Å; V335-G882 VanDerWaalsContact CG1-O 3.27Å; V335-G882 WeakPolarHBondContact CG1-O 3.25Å; V335-L883 HydrophobicContact CB-CD2 4.43Å; V335-L883 HydrophobicContact CG1-CD2 4.19Å; V335-L883 HydrophobicContact CG2-CD2 4.31Å; V335-L883 HydrophobicContact CG2-CG 4.28Å
336	R	92.5	Very high	89.8	Confident	8 Å²	8	31.6 Å²	31.6	3%	0.03	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-43.4	173.5	-83.2	164.8	174.7	160.8	18.2	112.5	D260 L332 A340 S363 N366 E367 M808	D260-R336 IonicContact OD1-CZ 3.43Å; D260-R336 IonicContact OD1-NH1 3.66Å; D260-R336 PolarHBondContact OD1-NH1 3.02Å; D260-R336 IonicContact OD1-NH2 2.76Å; D260-R336 PolarHBondContact OD1-NH2 3.05Å; D260-R336 IonicContact OD2-CZ 3.87Å; D260-R336 IonicContact OD2-NH1 3.5Å; D260-R336 PolarHBondContact OD2-NH1 2.94Å; D260-R336 IonicContact OD2-NH2 3.83Å; D260-R336 PolarHBondContact OD2-NH2 3.01Å; L332-R336 VanDerWaalsContact O-CB 3.24Å; L332-R336 WeakPolarHBondContact O-CB 3.34Å; L332-R336 WeakPolarHBondContact O-CD 3.24Å; L332-R336 VanDerWaalsContact O-CG 3.3Å; L332-R336 WeakPolarHBondContact O-CG 3.47Å; L332-R336 PolarHBondContact O-N 3.46Å; R336-A340 WeakPolarHBondContact O-CB 3.19Å; R336-A340 PolarHBondContact O-N 3.13Å; R336-S363 VanDerWaalsContact CB-O 3.29Å; R336-S363 WeakPolarHBondContact CB-O 3.24Å; R336-N366 PolarHBondContact O-ND2 3.38Å; R336-E367 IonicContact CZ-OE1 2.74Å; R336-E367 VanDerWaalsContact CZ-OE1 3.27Å; R336-E367 IonicContact NE-OE1 3.2Å; R336-E367 PolarHBondContact NE-OE1 2.93Å; R336-E367 IonicContact NE-OE2 3.44Å; R336-E367 PolarHBondContact NE-OE2 2.83Å; R336-E367 IonicContact NH2-OE1 3.31Å; R336-E367 PolarHBondContact NH2-OE1 3.29Å; R336-M808 HydrophobicContact CG-CE 3.67Å
337	F	89.4	Confident	90.5	Very high	85 Å²	85	38 Å²	38	37%	0.373	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-44.3	178.8	-177.3	-104.5	0	0	0	112.6	E333 V334 V335 A340 I341	E333-F337 VanDerWaalsContact O-CB 3.27Å; E333-F337 WeakPolarHBondContact O-CB 3.35Å; E333-F337 PolarHBondContact O-N 3.1Å; V334-F337 PolarHBondContact O-N 3.48Å; V335-F337 VanDerWaalsContact C-N 3.32Å; V335-F337 PolarHBondContact O-N 3.39Å; F337-A340 WeakPolarHBondContact O-CB 3.27Å; F337-A340 PolarHBondContact O-N 3.42Å; F337-I341 HydrophobicContact CD1-CD1 3.98Å; F337-I341 HydrophobicContact CE1-CD1 3.59Å; F337-I341 HydrophobicContact CZ-CD1 4.07Å; F337-I341 PolarHBondContact O-N 3.17Å; F337-I341 VanDerWaalsContact O-N 3.1Å
338	V	92.8	Very high	90.9	Very high	37 Å²	37	43.2 Å²	43.2	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-74.1	-33.8	179.2	177.3	0	0	0	0	112	V334 V335 A340 I341 F342 L883	V334-V338 WeakPolarHBondContact O-CG2 3.08Å; V334-V338 PolarHBondContact O-N 3.28Å; V335-V338 PolarHBondContact O-N 3.07Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 3.19Å; V338-I341 WeakPolarHBondContact O-CB 3.5Å; V338-I341 PolarHBondContact O-N 2.9Å; V338-F342 HydrophobicContact CG1-CD1 4.47Å; V338-F342 HydrophobicContact CG1-CE1 3.87Å; V338-F342 HydrophobicContact CG1-CE2 3.99Å; V338-F342 HydrophobicContact CG1-CZ 3.6Å; V338-F342 WeakPolarHBondContact O-CG 3.49Å; V338-F342 PolarHBondContact O-N 2.86Å; V338-L883 HydrophobicContact CB-CD1 4.41Å; V338-L883 HydrophobicContact CB-CD2 3.76Å; V338-L883 HydrophobicContact CG1-CD1 4.06Å; V338-L883 HydrophobicContact CG1-CD2 3.74Å
339	Q	94.5	Very high	91.2	Very high	3 Å²	3	43 Å²	43	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-41.4	168.7	-77	172.6	-3.5	0	0	111.9	V335 I341 F342 I343 N366 G882 L883	V335-Q339 HydrophobicContact CG1-CG 4.22Å; V335-Q339 VanDerWaalsContact CG1-NE2 3.28Å; V335-Q339 VanDerWaalsContact O-CB 3.29Å; V335-Q339 WeakPolarHBondContact O-CB 3.43Å; V335-Q339 VanDerWaalsContact O-CG 3.24Å; V335-Q339 WeakPolarHBondContact O-CG 3.45Å; V335-Q339 PolarHBondContact O-N 2.88Å; Q339-I341 VanDerWaalsContact C-N 3.31Å; Q339-I341 PolarHBondContact O-N 3.36Å; Q339-F342 WeakPolarHBondContact O-CB 3.35Å; Q339-F342 PolarHBondContact O-N 3.17Å; Q339-F342 VanDerWaalsContact O-N 3.11Å; Q339-I343 PolarHBondContact O-N 2.85Å; Q339-N366 WeakPolarHBondContact CB-ND2 3.28Å; Q339-N366 PolarHBondContact OE1-ND2 3.41Å; Q339-G882 PolarHBondContact NE2-O 3.16Å; Q339-L883 HydrophobicContact CG-CD2 4.27Å
340	A	92.6	Very high	91.8	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-36.7	174	0	0	0	0	0	111.9	R336 F337 V338 I343 N344 A360	R336-A340 WeakPolarHBondContact O-CB 3.19Å; R336-A340 PolarHBondContact O-N 3.13Å; F337-A340 WeakPolarHBondContact O-CB 3.27Å; F337-A340 PolarHBondContact O-N 3.42Å; V338-A340 VanDerWaalsContact C-N 3.33Å; V338-A340 PolarHBondContact O-N 3.19Å; A340-I343 PolarHBondContact O-N 3.37Å; A340-N344 PolarHBondContact O-N 3.06Å; A340-N344 VanDerWaalsContact O-N 3.13Å; A340-N344 PolarHBondContact O-OD1 3.44Å; A340-N344 VanDerWaalsContact O-OD1 3.08Å; A340-A360 HydrophobicContact CB-CB 3.75Å
341	I	93.9	Very high	92.2	Very high	64 Å²	64	45.2 Å²	45.2	33%	0.328	23%	0.226	S	C	.	.	H	α-helix	trans	-64.6	-38.4	171.3	-67.8	167.7	0	0	0	111.5	F337 V338 Q339 I343 N344 L345	F337-I341 HydrophobicContact CD1-CD1 3.98Å; F337-I341 HydrophobicContact CE1-CD1 3.59Å; F337-I341 HydrophobicContact CZ-CD1 4.07Å; F337-I341 PolarHBondContact O-N 3.17Å; F337-I341 VanDerWaalsContact O-N 3.1Å; V338-I341 WeakPolarHBondContact O-CB 3.5Å; V338-I341 PolarHBondContact O-N 2.9Å; Q339-I341 VanDerWaalsContact C-N 3.31Å; Q339-I341 PolarHBondContact O-N 3.36Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 3.05Å; I341-N344 PolarHBondContact O-N 3.03Å; I341-L345 HydrophobicContact CG2-CD1 3.69Å; I341-L345 HydrophobicContact CG2-CG 4.26Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.06Å; I341-L345 VanDerWaalsContact O-N 3.09Å
342	F	94.6	Very high	92.3	Very high	73 Å²	73	48.2 Å²	48.2	32%	0.32	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-29.7	175.5	-63.5	-23.2	0	0	0	113.6	V338 Q339 L883 F884	V338-F342 HydrophobicContact CG1-CD1 4.47Å; V338-F342 HydrophobicContact CG1-CE1 3.87Å; V338-F342 HydrophobicContact CG1-CE2 3.99Å; V338-F342 HydrophobicContact CG1-CZ 3.6Å; V338-F342 WeakPolarHBondContact O-CG 3.49Å; V338-F342 PolarHBondContact O-N 2.86Å; Q339-F342 WeakPolarHBondContact O-CB 3.35Å; Q339-F342 PolarHBondContact O-N 3.17Å; Q339-F342 VanDerWaalsContact O-N 3.11Å; F342-L883 HydrophobicContact CE2-CB 4.21Å; F342-L883 HydrophobicContact CE2-CD2 4.12Å; F342-F884 HydrophobicContact CE2-CE1 4.3Å; F342-F884 AromaticContact CZ-CE1 3.92Å; F342-F884 HydrophobicContact CZ-CE1 3.92Å
343	I	94.7	Very high	92.2	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-43.9	169.5	-70.6	167.1	0	0	0	110.1	Q339 A340 I341 L345 D346 M349 A358 A360 Y785 L796 H800	Q339-I343 PolarHBondContact O-N 2.85Å; A340-I343 PolarHBondContact O-N 3.37Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 3.05Å; I343-L345 VanDerWaalsContact C-N 3.29Å; I343-L345 PolarHBondContact O-N 2.82Å; I343-D346 PolarHBondContact O-N 2.87Å; I343-M349 HydrophobicContact CG2-CE 3.99Å; I343-A358 HydrophobicContact CG2-CB 4.3Å; I343-A360 HydrophobicContact CB-CB 4.35Å; I343-A360 HydrophobicContact CD1-CB 4.45Å; I343-A360 HydrophobicContact CG2-CB 4.15Å; I343-Y785 HydrophobicContact CD1-CD1 4.44Å; I343-Y785 HydrophobicContact CD1-CE1 3.9Å; I343-L796 HydrophobicContact CD1-CD1 4.17Å; I343-L796 HydrophobicContact CG1-CD1 4.38Å; I343-L796 HydrophobicContact CG2-CD1 4Å; I343-H800 HydrophobicContact CD1-CB 4.23Å; I343-H800 HydrophobicContact CG1-CB 3.93Å
344	N	93.5	Very high	92.1	Very high	58 Å²	58	57.2 Å²	57.2	31%	0.31	30%	0.297	S	S	.	.	H	α-helix	trans	-72.7	-17.9	-176.1	-60.3	-2.5	0	0	0	114.4	A340 I341 A358 A359 A360	A340-N344 PolarHBondContact O-N 3.06Å; A340-N344 VanDerWaalsContact O-N 3.13Å; A340-N344 PolarHBondContact O-OD1 3.44Å; A340-N344 VanDerWaalsContact O-OD1 3.08Å; I341-N344 PolarHBondContact O-N 3.03Å; N344-A358 WeakPolarHBondContact CA-O 3.07Å; N344-A358 PolarHBondContact OD1-O 3.01Å; N344-A359 WeakPolarHBondContact OD1-CA 3.45Å; N344-A360 PolarHBondContact OD1-N 3.36Å
345	L	94	Very high	92	Very high	128 Å²	128	60.1 Å²	60.1	67%	0.67	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	8.6	-179.9	-65.1	176.6	0	0	0	113.1	I341 I343 L347	I341-L345 HydrophobicContact CG2-CD1 3.69Å; I341-L345 HydrophobicContact CG2-CG 4.26Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.06Å; I341-L345 VanDerWaalsContact O-N 3.09Å; I343-L345 VanDerWaalsContact C-N 3.29Å; I343-L345 PolarHBondContact O-N 2.82Å; L345-L347 PolarHBondContact O-N 3.1Å
346	D	95.3	Very high	91.6	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.128	32%	0.32	C	S	.	.			trans	-83.7	102.7	-178.9	-167.4	-4	0	0	0	111.7	I343 E348 M349 R795 H800	I343-D346 PolarHBondContact O-N 2.87Å; D346-E348 PolarHBondContact O-N 3.27Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 PolarHBondContact OD1-N 3.06Å; D346-M349 HydrophobicContact CB-CE 3.85Å; D346-M349 WeakPolarHBondContact O-CA 3.27Å; D346-M349 PolarHBondContact O-N 2.92Å; D346-R795 IonicContact OD1-CZ 2.67Å; D346-R795 IonicContact OD1-NE 2.9Å; D346-R795 PolarHBondContact OD1-NE 2.94Å; D346-R795 IonicContact OD1-NH2 3.76Å; D346-R795 PolarHBondContact OD1-NH2 3.04Å; D346-R795 IonicContact OD2-CZ 3.97Å; D346-R795 IonicContact OD2-NE 3.01Å; D346-R795 PolarHBondContact OD2-NE 2.98Å; D346-R795 IonicContact OD2-NH2 3.66Å; D346-R795 PolarHBondContact OD2-NH2 3.13Å; D346-H800 IonicContact OD2-CD2 3.75Å; D346-H800 IonicContact OD2-CE1 2.72Å; D346-H800 IonicContact OD2-NE2 3.62Å; D346-H800 PolarHBondContact OD2-NE2 2.73Å
347	L	94.4	Very high	91.5	Very high	148 Å²	148	64.4 Å²	64.4	78%	0.775	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.3	-178.3	-61.4	176	0	0	0	113.6	L345 M349 Y350	L345-L347 PolarHBondContact O-N 3.1Å; L347-M349 PolarHBondContact O-N 3.47Å; L347-Y350 PolarHBondContact O-N 2.97Å
348	E	93.3	Very high	91.7	Very high	126 Å²	126	60.5 Å²	60.5	59%	0.589	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-78.5	-2.5	173.6	-69.8	179.7	-107.2	0	0	113	D346 Y792 R795	D346-E348 PolarHBondContact O-N 3.27Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 PolarHBondContact OD1-N 3.06Å; E348-Y792 VanDerWaalsContact O-CD1 3.26Å; E348-Y792 WeakPolarHBondContact O-CD1 3.21Å; E348-Y792 VanDerWaalsContact O-CE1 3.23Å; E348-Y792 WeakPolarHBondContact O-CE1 3.41Å; E348-R795 VanDerWaalsContact CD-NH2 3.28Å; E348-R795 IonicContact OE1-CZ 2.76Å; E348-R795 IonicContact OE1-NH1 3.56Å; E348-R795 PolarHBondContact OE1-NH1 3.47Å; E348-R795 IonicContact OE1-NH2 3.57Å; E348-R795 PolarHBondContact OE1-NH2 3.46Å; E348-R795 IonicContact OE2-CZ 2.63Å; E348-R795 IonicContact OE2-NH1 3.2Å; E348-R795 PolarHBondContact OE2-NH1 3.02Å; E348-R795 IonicContact OE2-NH2 3.1Å
349	M	93.6	Very high	91.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-118.6	20	170.5	-55.3	-167.6	-61.6	0	0	112.7	I343 D346 L347 A358 Y792 R795 L796 H800	I343-M349 HydrophobicContact CG2-CE 3.99Å; D346-M349 HydrophobicContact CB-CE 3.85Å; D346-M349 WeakPolarHBondContact O-CA 3.27Å; D346-M349 PolarHBondContact O-N 2.92Å; L347-M349 PolarHBondContact O-N 3.47Å; M349-A358 HydrophobicContact CB-CB 3.88Å; M349-A358 HydrophobicContact CE-CB 4.11Å; M349-A358 PolarHBondContact O-N 2.79Å; M349-Y792 HydrophobicContact CB-CD1 4.23Å; M349-Y792 HydrophobicContact CB-CG 4.28Å; M349-Y792 HydrophobicContact CG-CD1 4.31Å; M349-Y792 HydrophobicContact CG-CG 4.49Å; M349-R795 HydrophobicContact CG-CB 4.28Å; M349-R795 HydrophobicContact CG-CG 4.22Å; M349-R795 HydrophobicContact SD-CB 4.08Å; M349-R795 HydrophobicContact SD-CG 4.09Å; M349-L796 HydrophobicContact CE-CD1 4.42Å; M349-L796 HydrophobicContact SD-CB 4.06Å; M349-H800 VanDerWaalsContact CE-CD2 3.5Å; M349-H800 WeakPolarHBondContact CE-CD2 3.39Å; M349-H800 WeakPolarHBondContact CE-NE2 3.47Å
350	Y	93.3	Very high	91.2	Very high	84 Å²	84	60.7 Å²	60.7	33%	0.329	33%	0.329	S	S	.	.			trans	-98.9	136.7	172.5	169.2	-100.3	0	0	0	110.9	L347 A352 D355 P357 Y792	L347-Y350 PolarHBondContact O-N 2.97Å; Y350-A352 HydrophobicContact CE1-CB 3.99Å; Y350-D355 VanDerWaalsContact CE2-OD1 3.29Å; Y350-D355 WeakPolarHBondContact CE2-OD1 3.35Å; Y350-D355 PolarHBondContact OH-OD1 2.84Å; Y350-P357 HydrophobicContact CD2-CB 4.12Å; Y350-Y792 PolarHBondContact O-OH 3.33Å
351	H	90.6	Very high	90.6	Very high	16 Å²	16	66.1 Å²	66.1	7%	0.074	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-108.2	110.7	178.2	-166.8	-114.2	0	0	0	111.5	E353 T354 D355 T356 A788 Q789 Y792	H351-E353 IonicContact CE1-OE2 2.74Å; H351-E353 PolarHBondContact CE1-OE2 2.56Å; H351-E353 IonicContact NE2-OE2 2.73Å; H351-E353 PolarHBondContact O-N 3.43Å; H351-T354 PolarHBondContact ND1-OG1 3Å; H351-D355 PolarHBondContact O-N 2.88Å; H351-D355 VanDerWaalsContact O-N 3.13Å; H351-T356 PolarHBondContact N-O 2.95Å; H351-T356 PolarHBondContact O-N 3.09Å; H351-A788 HydrophobicContact CB-CB 3.38Å; H351-Q789 PolarHBondContact CD2-OE1 3.09Å; H351-Q789 PolarHBondContact NE2-NE2 2.82Å; H351-Y792 HydrophobicContact CB-CE2 4.26Å
352	A	90.6	Very high	90	Very high	76 Å²	76	65.1 Å²	65.1	63%	0.628	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-29.2	-171.3	0	0	0	0	0	114.3	Y350 T354	Y350-A352 HydrophobicContact CE1-CB 3.99Å; A352-T354 VanDerWaalsContact C-N 3.27Å; A352-T354 PolarHBondContact O-N 2.89Å
353	E	86.3	Confident	89.5	Confident	156 Å²	156	62.1 Å²	62.1	73%	0.729	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-25	-177.6	-52.8	-177.3	160.1	0	0	112.8	H351	H351-E353 IonicContact CE1-OE2 2.74Å; H351-E353 PolarHBondContact CE1-OE2 2.56Å; H351-E353 IonicContact NE2-OE2 2.73Å; H351-E353 PolarHBondContact O-N 3.43Å
354	T	83.3	Confident	89	Confident	53 Å²	53	64.2 Å²	64.2	33%	0.325	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	4	-174.4	49.9	0	0	0	0	113.5	H351 A352 T356 L774	H351-T354 PolarHBondContact ND1-OG1 3Å; A352-T354 VanDerWaalsContact C-N 3.27Å; A352-T354 PolarHBondContact O-N 2.89Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 PolarHBondContact OG1-OG1 3.04Å; T354-L774 HydrophobicContact CG2-CD2 4.31Å
355	D	86.8	Confident	88.8	Confident	116 Å²	116	61.5 Å²	61.5	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	40.2	-174	-164.7	29.3	0	0	0	114	Y350 H351 P357	Y350-D355 VanDerWaalsContact CE2-OD1 3.29Å; Y350-D355 WeakPolarHBondContact CE2-OD1 3.35Å; Y350-D355 PolarHBondContact OH-OD1 2.84Å; H351-D355 PolarHBondContact O-N 2.88Å; H351-D355 VanDerWaalsContact O-N 3.13Å; D355-P357 WeakPolarHBondContact O-CD 3.36Å
356	T	84.4	Confident	88.8	Confident	31 Å²	31	55.4 Å²	55.4	19%	0.19	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-110.7	107.8	-176.3	39.1	0	0	0	0	112	H351 T354 A788	H351-T356 PolarHBondContact N-O 2.95Å; H351-T356 PolarHBondContact O-N 3.09Å; T354-T356 PolarHBondContact O-N 2.92Å; T354-T356 PolarHBondContact OG1-OG1 3.04Å; T356-A788 WeakPolarHBondContact OG1-CB 3.4Å
357	P	90.5	Very high	88.6	Confident	66 Å²	66	54.3 Å²	54.3	43%	0.429	29%	0.291	S	S	.	.			trans	-76.6	161.1	167.2	32.5	-34.5	0	0	0	111.4	Y350 D355	Y350-P357 HydrophobicContact CD2-CB 4.12Å; D355-P357 WeakPolarHBondContact O-CD 3.36Å
358	A	91.7	Very high	88.6	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	26%	0.255	C	S	.	.			trans	-58.6	144.9	163.5	0	0	0	0	0	111.2	I343 N344 M349 S786 I787	I343-A358 HydrophobicContact CG2-CB 4.3Å; N344-A358 WeakPolarHBondContact CA-O 3.07Å; N344-A358 PolarHBondContact OD1-O 3.01Å; M349-A358 HydrophobicContact CB-CB 3.88Å; M349-A358 HydrophobicContact CE-CB 4.11Å; M349-A358 PolarHBondContact O-N 2.79Å; A358-S786 CarbonylContact C-O 3.44Å; A358-S786 WeakPolarHBondContact CA-O 3.33Å; A358-I787 HydrophobicContact CB-CG2 4.25Å
359	A	88.3	Confident	88.6	Confident	31 Å²	31	41.3 Å²	41.3	26%	0.256	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	96.1	-175.6	0	0	0	0	0	112	N344 R361 Y785 S786	N344-A359 WeakPolarHBondContact OD1-CA 3.45Å; A359-R361 PolarHBondContact O-N 3.49Å; A359-Y785 CarbonylContact O-C 3.59Å; A359-Y785 WeakPolarHBondContact O-CA 3.47Å; A359-S786 PolarHBondContact N-O 3.36Å; A359-S786 PolarHBondContact O-N 2.89Å
360	A	89.6	Confident	88.5	Confident	14 Å²	14	41.3 Å²	41.3	12%	0.116	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	109.9	166.2	0	0	0	0	0	110.3	A340 I343 N344 Y785	A340-A360 HydrophobicContact CB-CB 3.75Å; I343-A360 HydrophobicContact CB-CB 4.35Å; I343-A360 HydrophobicContact CD1-CB 4.45Å; I343-A360 HydrophobicContact CG2-CB 4.15Å; N344-A360 PolarHBondContact OD1-N 3.36Å; A360-Y785 HydrophobicContact CB-CD1 3.57Å; A360-Y785 HydrophobicContact CB-CE1 3.56Å
361	R	80.6	Confident	88.4	Confident	120 Å²	120	38 Å²	38	45%	0.453	21%	0.214	S	C	.	.			trans	-91.9	-45.1	177.2	-61.6	-174.5	-178.6	-116.5	5.6	111.3	A359 S363 A780 S783 D784	A359-R361 PolarHBondContact O-N 3.49Å; R361-S363 PolarHBondContact O-N 3.38Å; R361-A780 PolarHBondContact NE-O 3.39Å; R361-A780 PolarHBondContact NH2-O 3.5Å; R361-S783 WeakPolarHBondContact CD-O 3.41Å; R361-D784 WeakPolarHBondContact CA-O 3.26Å; R361-D784 PolarHBondContact N-O 3.09Å
362	T	80.7	Confident	88.6	Confident	43 Å²	43	37.2 Å²	37.2	26%	0.264	21%	0.211	S	C	.	.			trans	-97.3	88.9	178.2	-53.2	0	0	0	0	110.6	N364 L365 D784	T362-N364 PolarHBondContact O-N 2.92Å; T362-L365 HydrophobicContact CG2-CD1 3.71Å; T362-L365 HydrophobicContact CG2-CG 3.86Å; T362-L365 PolarHBondContact O-N 2.67Å; T362-D784 WeakPolarHBondContact CB-OD1 3.29Å; T362-D784 PolarHBondContact N-O 3.06Å; T362-D784 PolarHBondContact OG1-OD1 3.07Å
363	S	83.5	Confident	88.6	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.063	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.9	-20.7	-179.5	49.4	0	0	0	0	115.2	K84 R336 R361 L365 N366	K84-S363 PolarHBondContact NZ-OG 3.25Å; R336-S363 VanDerWaalsContact CB-O 3.29Å; R336-S363 WeakPolarHBondContact CB-O 3.24Å; R361-S363 PolarHBondContact O-N 3.38Å; S363-L365 VanDerWaalsContact C-N 3.3Å; S363-L365 PolarHBondContact O-N 2.7Å; S363-N366 PolarHBondContact O-ND2 3.46Å
364	N	84.7	Confident	89	Confident	46 Å²	46	29.5 Å²	29.5	25%	0.246	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-81.5	6.9	-173.4	-65.9	-28.7	0	0	0	115.9	T362	T362-N364 PolarHBondContact O-N 2.92Å
365	L	89.9	Confident	89.6	Confident	2 Å²	2	27 Å²	27	1%	0.01	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-122.8	8.5	-172.9	-59	174.5	0	0	0	114.2	K255 T362 S363 E367 E368 L369 D784 Y785	K255-L365 HydrophobicContact CB-CD1 4.06Å; K255-L365 HydrophobicContact CB-CD2 4.18Å; K255-L365 HydrophobicContact CD-CD1 4.03Å; T362-L365 HydrophobicContact CG2-CD1 3.71Å; T362-L365 HydrophobicContact CG2-CG 3.86Å; T362-L365 PolarHBondContact O-N 2.67Å; S363-L365 VanDerWaalsContact C-N 3.3Å; S363-L365 PolarHBondContact O-N 2.7Å; L365-E367 PolarHBondContact O-N 3.02Å; L365-E368 HydrophobicContact CB-CG 4.4Å; L365-E368 HydrophobicContact CD2-CG 4.03Å; L365-E368 WeakPolarHBondContact O-CB 3.33Å; L365-E368 PolarHBondContact O-N 2.89Å; L365-L369 PolarHBondContact O-N 2.79Å; L365-D784 HydrophobicContact CD1-CB 3.94Å; L365-D784 WeakPolarHBondContact CD1-OD1 3.4Å; L365-Y785 HydrophobicContact CB-CE2 4.28Å; L365-Y785 PolarHBondContact O-OH 3.13Å
366	N	92.9	Very high	90	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-33.5	-173.2	-59	-20.4	0	0	0	112.6	R336 Q339 S363 Y785 S804	R336-N366 PolarHBondContact O-ND2 3.38Å; Q339-N366 WeakPolarHBondContact CB-ND2 3.28Å; Q339-N366 PolarHBondContact OE1-ND2 3.41Å; S363-N366 PolarHBondContact O-ND2 3.46Å; N366-Y785 VanDerWaalsContact CA-OH 3.29Å; N366-Y785 WeakPolarHBondContact CA-OH 3.47Å; N366-Y785 PolarHBondContact N-OH 2.99Å; N366-Y785 PolarHBondContact OD1-OH 2.7Å; N366-S804 WeakPolarHBondContact O-CB 3.38Å
367	E	91.8	Very high	90.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-23.6	174.1	63.9	-96.6	-140.5	0	0	114.3	S257 V259 R336 L365 L369 G370 F805 M808	S257-E367 PolarHBondContact OG-OE1 3.16Å; V259-E367 HydrophobicContact CB-CG 4.04Å; V259-E367 HydrophobicContact CG2-CB 4.43Å; V259-E367 HydrophobicContact CG2-CG 3.85Å; R336-E367 IonicContact CZ-OE1 2.74Å; R336-E367 VanDerWaalsContact CZ-OE1 3.27Å; R336-E367 IonicContact NE-OE1 3.2Å; R336-E367 PolarHBondContact NE-OE1 2.93Å; R336-E367 IonicContact NE-OE2 3.44Å; R336-E367 PolarHBondContact NE-OE2 2.83Å; R336-E367 IonicContact NH2-OE1 3.31Å; R336-E367 PolarHBondContact NH2-OE1 3.29Å; L365-E367 PolarHBondContact O-N 3.02Å; E367-L369 VanDerWaalsContact C-N 3.31Å; E367-G370 PolarHBondContact O-N 3.43Å; E367-F805 HydrophobicContact CB-CB 4.36Å; E367-F805 HydrophobicContact CB-CD2 4.38Å; E367-M808 HydrophobicContact CB-CB 4.38Å; E367-M808 HydrophobicContact CB-CG 4.35Å
368	E	93.1	Very high	90.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-70.7	-32	177.4	-59.3	-66.4	118.5	0	0	110.7	S257 N258 L365 G370 Q371 V372 I748 V767	S257-E368 WeakPolarHBondContact CA-OE1 3.5Å; S257-E368 WeakPolarHBondContact CB-OE1 3.26Å; S257-E368 PolarHBondContact OG-OE1 3Å; N258-E368 WeakPolarHBondContact CB-OE1 3.35Å; N258-E368 VanDerWaalsContact N-CD 3.31Å; N258-E368 PolarHBondContact N-OE1 3.1Å; N258-E368 PolarHBondContact N-OE2 2.74Å; L365-E368 HydrophobicContact CB-CG 4.4Å; L365-E368 HydrophobicContact CD2-CG 4.03Å; L365-E368 WeakPolarHBondContact O-CB 3.33Å; L365-E368 PolarHBondContact O-N 2.89Å; E368-G370 PolarHBondContact O-N 3.01Å; E368-G370 VanDerWaalsContact O-N 3.09Å; E368-Q371 PolarHBondContact O-N 3.13Å; E368-V372 WeakPolarHBondContact O-CG2 3.43Å; E368-I748 HydrophobicContact CB-CG2 4.31Å; E368-I748 WeakPolarHBondContact OE2-CD1 3.4Å; E368-V767 HydrophobicContact CB-CG2 3.67Å
369	L	94.2	Very high	90.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-57.6	-17.4	168.1	-69.8	172.1	0	0	0	112.9	L365 E367 L750 V767 Y785 L796 L797 G801 Y900	L365-L369 PolarHBondContact O-N 2.79Å; E367-L369 VanDerWaalsContact C-N 3.31Å; L369-L750 HydrophobicContact CD2-CD1 4.3Å; L369-V767 HydrophobicContact CD2-CG1 3.88Å; L369-Y785 HydrophobicContact CD1-CD1 4.26Å; L369-Y785 HydrophobicContact CD1-CD2 4.29Å; L369-Y785 HydrophobicContact CD1-CE1 3.79Å; L369-Y785 HydrophobicContact CD1-CE2 3.81Å; L369-Y785 HydrophobicContact CD2-CD2 4.34Å; L369-Y785 HydrophobicContact CD2-CE2 4.25Å; L369-Y785 HydrophobicContact CG-CE2 4.01Å; L369-L796 HydrophobicContact CD1-CD1 3.82Å; L369-L796 HydrophobicContact CD1-CG 3.99Å; L369-L796 HydrophobicContact CD2-CD2 4.35Å; L369-L796 HydrophobicContact CD2-CG 4.25Å; L369-L797 HydrophobicContact CB-CD2 4.22Å; L369-L797 HydrophobicContact CD2-CD2 3.77Å; L369-L797 VanDerWaalsContact O-CD2 3.29Å; L369-L797 WeakPolarHBondContact O-CD2 3.27Å; L369-G801 VanDerWaalsContact C-CA 3.49Å; L369-Y900 WeakPolarHBondContact O-CE2 3.25Å; L369-Y900 PolarHBondContact O-OH 2.9Å
370	G	91.7	Very high	90	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-87	-9.7	172.7	0	0	0	0	0	114.9	E367 E368 G801 S903 Q904	E367-G370 PolarHBondContact O-N 3.43Å; E368-G370 PolarHBondContact O-N 3.01Å; E368-G370 VanDerWaalsContact O-N 3.09Å; G370-G801 WeakPolarHBondContact CA-O 3.47Å; G370-S903 CarbonylContact O-C 3.55Å; G370-S903 WeakPolarHBondContact O-CB 3.32Å; G370-S903 PolarHBondContact O-OG 2.85Å; G370-Q904 PolarHBondContact O-N 3.1Å
371	Q	91.8	Very high	89.5	Confident	15 Å²	15	16.8 Å²	16.8	7%	0.07	8%	0.081	C	C	.	.	S	Bend	trans	-117.6	1.1	-169.2	-57	-133	-84.3	0	0	114.5	N258 E368 K373 I748 F805 Y900 S903	N258-Q371 PolarHBondContact ND2-OE1 3.26Å; N258-Q371 VanDerWaalsContact ND2-OE1 3.17Å; E368-Q371 PolarHBondContact O-N 3.13Å; Q371-K373 PolarHBondContact O-N 3.02Å; Q371-I748 HydrophobicContact CB-CB 4.19Å; Q371-I748 HydrophobicContact CB-CG1 3.7Å; Q371-F805 HydrophobicContact CG-CD2 3.67Å; Q371-F805 HydrophobicContact CG-CE2 3.75Å; Q371-F805 HydrophobicContact CG-CG 4.36Å; Q371-F805 HydrophobicContact CG-CZ 4.47Å; Q371-Y900 PolarHBondContact N-OH 3.16Å; Q371-S903 PolarHBondContact NE2-O 3.29Å
372	V	93.9	Very high	89.9	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.9	-173.2	-177.8	0	0	0	0	111	E368 I375 I748 L750 L797 Y900 Q904	E368-V372 WeakPolarHBondContact O-CG2 3.43Å; V372-I375 HydrophobicContact CG1-CG1 3.9Å; V372-I748 HydrophobicContact CG2-CG2 4.36Å; V372-L750 HydrophobicContact CG1-CB 3.62Å; V372-L750 HydrophobicContact CG1-CD1 4.35Å; V372-L750 HydrophobicContact CG2-CB 4.13Å; V372-L750 HydrophobicContact CG2-CD1 3.99Å; V372-L797 HydrophobicContact CB-CD2 4.41Å; V372-L797 HydrophobicContact CG2-CD2 3.89Å; V372-Y900 WeakPolarHBondContact CB-OH 3.49Å; V372-Y900 PolarHBondContact N-OH 3.35Å; V372-Y900 VanDerWaalsContact N-OH 3.11Å; V372-Y900 WeakPolarHBondContact O-CE1 3.45Å; V372-Q904 PolarHBondContact O-NE2 3.17Å
373	K	91.8	Very high	90.3	Very high	57 Å²	57	9 Å²	9	25%	0.248	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-24.2	169.8	-175.2	163.2	-175.7	168.5	0	113.8	Q371 D631 I632 K633 A747 I748	Q371-K373 PolarHBondContact O-N 3.02Å; K373-D631 IonicContact NZ-OD1 3.94Å; K373-D631 IonicContact NZ-OD2 2.77Å; K373-I632 WeakPolarHBondContact O-CA 3.45Å; K373-K633 PolarHBondContact O-N 3.41Å; K373-A747 HydrophobicContact CB-CB 4.5Å; K373-I748 PolarHBondContact N-O 3.34Å
374	Y	93.7	Very high	90.6	Very high	13 Å²	13	8.6 Å²	8.6	5%	0.051	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.5	179.1	-72.7	-96.4	0	0	0	110.4	K633 W635 L719 V741 I745 A747 I748 L750	Y374-K633 WeakPolarHBondContact CA-O 3.29Å; Y374-K633 HydrophobicContact CD1-CB 3.87Å; Y374-K633 HydrophobicContact CE1-CB 3.79Å; Y374-K633 HydrophobicContact CE1-CD 3.81Å; Y374-K633 HydrophobicContact CE1-CG 4.17Å; Y374-W635 HydrophobicContact CE1-CZ2 4.22Å; Y374-L719 HydrophobicContact CE1-CD2 4.2Å; Y374-V741 HydrophobicContact CD1-CG1 4.05Å; Y374-V741 HydrophobicContact CD2-CG1 4.33Å; Y374-V741 HydrophobicContact CE1-CG1 4.38Å; Y374-V741 HydrophobicContact CG-CG1 4.03Å; Y374-I745 HydrophobicContact CD2-CD1 4.03Å; Y374-I745 HydrophobicContact CE1-CD1 4.2Å; Y374-I745 HydrophobicContact CE2-CD1 3.27Å; Y374-I745 WeakPolarHBondContact OH-CD1 3.38Å; Y374-A747 HydrophobicContact CD2-CB 4.36Å; Y374-I748 PolarHBondContact N-O 3.02Å; Y374-L750 PolarHBondContact O-N 3.35Å
375	I	95.9	Very high	90.6	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.7	173.5	-66.2	176.7	0	0	0	108.8	V372 L627 I632 K633 L634 W635 L750 I752 L793 L797	V372-I375 HydrophobicContact CG1-CG1 3.9Å; I375-L627 HydrophobicContact CD1-CD1 3.97Å; I375-L627 HydrophobicContact CD1-CD2 3.82Å; I375-L627 HydrophobicContact CD1-CG 4.43Å; I375-I632 HydrophobicContact CB-CG2 4.37Å; I375-I632 HydrophobicContact CD1-CG2 3.63Å; I375-I632 HydrophobicContact CG1-CG2 3.67Å; I375-K633 PolarHBondContact N-O 2.9Å; I375-L634 HydrophobicContact CG2-CG 4.4Å; I375-L634 CarbonylContact O-C 3.58Å; I375-L634 WeakPolarHBondContact O-CA 3.37Å; I375-W635 PolarHBondContact O-N 3.49Å; I375-L750 CarbonylContact C-O 3.56Å; I375-L750 WeakPolarHBondContact CA-O 3.41Å; I375-L750 HydrophobicContact CG1-CB 4.24Å; I375-L750 HydrophobicContact CG1-CD2 4.16Å; I375-L750 HydrophobicContact CG2-CD2 4.05Å; I375-I752 HydrophobicContact CG2-CG2 4.27Å; I375-L793 HydrophobicContact CD1-CD2 4.25Å; I375-L797 HydrophobicContact CD1-CD1 3.95Å
376	F	96.3	Very high	90	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.8	170.3	-55.5	-85	0	0	0	108.3	W635 L637 I737 V738 V741 T749 L750 A751 I752 M761	F376-W635 WeakPolarHBondContact CA-O 3.5Å; F376-W635 HydrophobicContact CD1-CB 3.92Å; F376-W635 HydrophobicContact CD1-CE3 4.26Å; F376-W635 HydrophobicContact CD1-CG 4.46Å; F376-W635 HydrophobicContact CE1-CB 4.22Å; F376-W635 AromaticContact CE1-CD2 3.93Å; F376-W635 HydrophobicContact CE1-CD2 3.93Å; F376-W635 AromaticContact CE1-CE3 3.56Å; F376-W635 HydrophobicContact CE1-CE3 3.56Å; F376-W635 HydrophobicContact CE1-CG 4.27Å; F376-W635 HydrophobicContact CE1-CZ3 4.21Å; F376-L637 HydrophobicContact CB-CD1 4.1Å; F376-L637 HydrophobicContact CB-CG 4.47Å; F376-L637 HydrophobicContact CD1-CD1 3.75Å; F376-L637 HydrophobicContact CD1-CG 4.22Å; F376-L637 HydrophobicContact CG-CD1 4.27Å; F376-I737 HydrophobicContact CD1-CG2 4.23Å; F376-I737 HydrophobicContact CE1-CG2 3.8Å; F376-V738 HydrophobicContact CB-CG2 4.12Å; F376-V738 HydrophobicContact CD1-CG2 4.19Å; F376-V738 HydrophobicContact CD2-CB 4.47Å; F376-V738 HydrophobicContact CD2-CG1 4.4Å; F376-V738 HydrophobicContact CD2-CG2 3.69Å; F376-V738 HydrophobicContact CE2-CB 4.49Å; F376-V738 HydrophobicContact CE2-CG1 4.38Å; F376-V738 HydrophobicContact CE2-CG2 4.14Å; F376-V738 HydrophobicContact CG-CG2 3.72Å; F376-V741 HydrophobicContact CE1-CG2 4.26Å; F376-V741 HydrophobicContact CZ-CB 3.81Å; F376-V741 HydrophobicContact CZ-CG1 3.94Å; F376-V741 HydrophobicContact CZ-CG2 3.91Å; F376-T749 HydrophobicContact CE2-CG2 3.88Å; F376-L750 WeakPolarHBondContact CD2-O 3.18Å; F376-L750 PolarHBondContact N-O 3.41Å; F376-A751 HydrophobicContact CB-CB 4.44Å; F376-A751 CarbonylContact O-C 3.52Å; F376-A751 VanDerWaalsContact O-CA 3.3Å; F376-A751 WeakPolarHBondContact O-CA 3.28Å; F376-I752 PolarHBondContact O-N 2.7Å; F376-M761 HydrophobicContact CB-SD 4.03Å
377	T	94.6	Very high	89.6	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.4	-179	-171.5	0	0	0	0	110.6	T382 L383 L634 W635 M636 L637 I752	T377-T382 WeakPolarHBondContact OG1-CG2 3.41Å; T377-L383 HydrophobicContact CG2-CD1 3.96Å; T377-L383 HydrophobicContact CG2-CG 4.43Å; T377-L634 HydrophobicContact CG2-CD2 3.71Å; T377-L634 HydrophobicContact CG2-CG 4.35Å; T377-W635 PolarHBondContact N-O 3.18Å; T377-M636 HydrophobicContact CG2-CB 4.38Å; T377-M636 HydrophobicContact CG2-CG 4.45Å; T377-M636 CarbonylContact O-C 3.57Å; T377-M636 WeakPolarHBondContact O-CA 3.23Å; T377-L637 PolarHBondContact O-N 2.85Å; T377-I752 WeakPolarHBondContact CA-O 3.29Å
378	D	90.2	Very high	89.4	Confident	10 Å²	10	14.8 Å²	14.8	5%	0.053	8%	0.076	C	C	.	.			trans	-73.3	173.3	155.7	-164	66.8	0	0	0	110.6	T380 L383 T638 K734 I752 D758	D378-T380 WeakPolarHBondContact OD2-CB 3.25Å; D378-T380 PolarHBondContact OD2-N 2.75Å; D378-L383 WeakPolarHBondContact O-CG 3.43Å; D378-T638 WeakPolarHBondContact OD1-CA 3.28Å; D378-K734 IonicContact OD1-NZ 3.88Å; D378-K734 PolarHBondContact OD1-NZ 3.41Å; D378-I752 PolarHBondContact N-O 3.39Å; D378-I752 VanDerWaalsContact N-O 3.16Å; D378-D758 WeakPolarHBondContact CB-OD2 3.17Å
379	K	87.7	Confident	89.3	Confident	4 Å²	4	15.8 Å²	15.8	2%	0.017	8%	0.083	C	C	.	.	S	Bend	trans	-100.5	-53.7	178.4	-174.9	-119.5	77.1	167.8	0	111.1	L383 T384 D614 M636 T638 D640 T644 I648	K379-L383 WeakPolarHBondContact O-CB 3.47Å; K379-L383 PolarHBondContact O-N 3.23Å; K379-T384 PolarHBondContact O-N 2.99Å; K379-T384 PolarHBondContact O-OG1 3.1Å; K379-T384 VanDerWaalsContact O-OG1 3.1Å; K379-D614 IonicContact NZ-OD2 3.17Å; K379-D614 PolarHBondContact NZ-OD2 3.4Å; K379-M636 HydrophobicContact CB-CG 4.36Å; K379-M636 HydrophobicContact CB-SD 4.02Å; K379-M636 HydrophobicContact CG-SD 4.08Å; K379-T638 HydrophobicContact CB-CG2 4.37Å; K379-D640 WeakPolarHBondContact CD-OD2 3.35Å; K379-D640 WeakPolarHBondContact CE-OD2 3.39Å; K379-D640 IonicContact NZ-OD2 2.9Å; K379-D640 PolarHBondContact NZ-OD2 2.69Å; K379-T644 HydrophobicContact CD-CG2 4.28Å; K379-I648 HydrophobicContact CD-CB 4.38Å; K379-I648 HydrophobicContact CD-CG1 3.89Å; K379-I648 HydrophobicContact CG-CB 4.05Å; K379-I648 HydrophobicContact CG-CG1 4.05Å; K379-I648 HydrophobicContact CG-CG2 3.8Å
380	T	81.5	Confident	89.2	Confident	25 Å²	25	16.1 Å²	16.1	15%	0.153	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	136.4	-175.7	-62.9	0	0	0	0	109.5	D378 T382 T384 N386	D378-T380 WeakPolarHBondContact OD2-CB 3.25Å; D378-T380 PolarHBondContact OD2-N 2.75Å; T380-T382 PolarHBondContact O-N 2.92Å; T380-T382 PolarHBondContact O-OG1 3.2Å; T380-T384 WeakPolarHBondContact CA-OG1 3.43Å; T380-N386 WeakPolarHBondContact CG2-ND2 3.39Å
381	G	79	Confident	89.1	Confident	6 Å²	6	16.5 Å²	16.5	6%	0.062	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-17.5	-179.5	0	0	0	0	0	116.6	T384 N386 Q617 D754	G381-T384 CarbonylContact C-O 3.59Å; G381-T384 VanDerWaalsContact C-O 3.22Å; G381-T384 VanDerWaalsContact CA-O 3.3Å; G381-T384 WeakPolarHBondContact CA-O 3.45Å; G381-T384 PolarHBondContact N-OG1 3.1Å; G381-N386 WeakPolarHBondContact CA-ND2 3.49Å; G381-N386 PolarHBondContact N-ND2 3.38Å; G381-N386 VanDerWaalsContact N-ND2 3.2Å; G381-N386 PolarHBondContact N-OD1 2.86Å; G381-Q617 PolarHBondContact O-NE2 2.75Å; G381-D754 WeakPolarHBondContact CA-OD2 3.32Å
382	T	88.3	Confident	89.2	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-47.1	-172.7	-64.4	0	0	0	0	111.9	T377 T380 I752 G753 D754 I771 F790	T377-T382 WeakPolarHBondContact OG1-CG2 3.41Å; T380-T382 PolarHBondContact O-N 2.92Å; T380-T382 PolarHBondContact O-OG1 3.2Å; T382-I752 HydrophobicContact CG2-CG1 4.21Å; T382-I752 HydrophobicContact CG2-CG2 4.34Å; T382-G753 VanDerWaalsContact OG1-CA 3.32Å; T382-G753 WeakPolarHBondContact OG1-CA 3.39Å; T382-D754 PolarHBondContact OG1-N 3.47Å; T382-D754 PolarHBondContact OG1-OD1 2.78Å; T382-I771 HydrophobicContact CG2-CG1 4.08Å; T382-F790 HydrophobicContact CG2-CD2 4.14Å; T382-F790 WeakPolarHBondContact O-CB 3.27Å
383	L	91.1	Very high	89.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-35.3	170	-62.1	178.1	0	0	0	111.2	T377 D378 K379 L616 Q617 V620 I624 M636 F790	T377-L383 HydrophobicContact CG2-CD1 3.96Å; T377-L383 HydrophobicContact CG2-CG 4.43Å; D378-L383 WeakPolarHBondContact O-CG 3.43Å; K379-L383 WeakPolarHBondContact O-CB 3.47Å; K379-L383 PolarHBondContact O-N 3.23Å; L383-L616 CarbonylContact O-C 3.54Å; L383-L616 WeakPolarHBondContact O-CA 3.37Å; L383-Q617 PolarHBondContact O-N 3.28Å; L383-V620 HydrophobicContact CD2-CG1 3.91Å; L383-I624 HydrophobicContact CD2-CD1 4.15Å; L383-M636 HydrophobicContact CD1-CE 3.9Å; L383-F790 HydrophobicContact CD2-CD1 4.26Å; L383-F790 HydrophobicContact CD2-CD2 3.81Å; L383-F790 HydrophobicContact CD2-CE1 4.04Å; L383-F790 HydrophobicContact CD2-CE2 3.58Å; L383-F790 HydrophobicContact CD2-CG 4.15Å; L383-F790 HydrophobicContact CD2-CZ 3.71Å
384	T	88.4	Confident	89.3	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	153.2	174.4	54.5	0	0	0	0	111.6	K379 T380 G381 N386 D614 K615 L616 I648	K379-T384 PolarHBondContact O-N 2.99Å; K379-T384 PolarHBondContact O-OG1 3.1Å; K379-T384 VanDerWaalsContact O-OG1 3.1Å; T380-T384 WeakPolarHBondContact CA-OG1 3.43Å; G381-T384 CarbonylContact C-O 3.59Å; G381-T384 VanDerWaalsContact C-O 3.22Å; G381-T384 VanDerWaalsContact CA-O 3.3Å; G381-T384 WeakPolarHBondContact CA-O 3.45Å; G381-T384 PolarHBondContact N-OG1 3.1Å; T384-N386 PolarHBondContact OG1-OD1 2.93Å; T384-D614 VanDerWaalsContact CG2-OD1 3.29Å; T384-D614 WeakPolarHBondContact CG2-OD1 3.48Å; T384-K615 CarbonylContact C-O 3.51Å; T384-K615 WeakPolarHBondContact CA-O 3.37Å; T384-L616 HydrophobicContact CG2-CD2 4.23Å; T384-I648 HydrophobicContact CG2-CD1 3.69Å; T384-I648 HydrophobicContact CG2-CG1 4.14Å
385	K	84.1	Confident	89.3	Confident	64 Å²	64	13.4 Å²	13.4	28%	0.278	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-0.6	165.5	-69.9	-175.3	178.1	-166.8	0	112.6	V387 K615 L616 Q617 D618	K385-V387 HydrophobicContact CB-CG2 4.29Å; K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.17Å; K385-K615 PolarHBondContact N-O 3.44Å; K385-L616 WeakPolarHBondContact CG-O 3.44Å; K385-Q617 HydrophobicContact CG-CB 4.49Å; K385-Q617 HydrophobicContact CG-CG 4.09Å; K385-D618 WeakPolarHBondContact CE-OD1 3.43Å; K385-D618 VanDerWaalsContact CE-OD2 3.24Å; K385-D618 WeakPolarHBondContact CE-OD2 3.38Å; K385-D618 IonicContact NZ-OD1 3.5Å; K385-D618 PolarHBondContact NZ-OD1 2.91Å; K385-D618 IonicContact NZ-OD2 2.7Å; K385-D618 PolarHBondContact NZ-OD2 3.09Å
386	N	78.3	Confident	89.1	Confident	30 Å²	30	13.7 Å²	13.7	16%	0.16	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	21.6	-172.9	-58.9	-16.2	0	0	0	114.3	T380 G381 T384 E775	T380-N386 WeakPolarHBondContact CG2-ND2 3.39Å; G381-N386 WeakPolarHBondContact CA-ND2 3.49Å; G381-N386 PolarHBondContact N-ND2 3.38Å; G381-N386 VanDerWaalsContact N-ND2 3.2Å; G381-N386 PolarHBondContact N-OD1 2.86Å; T384-N386 PolarHBondContact OG1-OD1 2.93Å; N386-E775 VanDerWaalsContact ND2-CD 3.29Å; N386-E775 PolarHBondContact ND2-OE1 3.25Å; N386-E775 VanDerWaalsContact ND2-OE1 3.1Å; N386-E775 PolarHBondContact ND2-OE2 3.26Å
387	V	84.1	Confident	88.6	Confident	72 Å²	72	14.4 Å²	14.4	44%	0.436	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.3	175.7	-177.6	0	0	0	0	109.6	K385 V389 K615	K385-V387 HydrophobicContact CB-CG2 4.29Å; K385-V387 PolarHBondContact O-N 3.38Å; K385-V387 VanDerWaalsContact O-N 3.17Å; V387-V389 HydrophobicContact CG1-CG2 3.92Å; V387-K615 WeakPolarHBondContact O-CB 3.4Å; V387-K615 PolarHBondContact O-N 2.87Å; V387-K615 VanDerWaalsContact O-N 3.11Å
388	M	87.6	Confident	88.4	Confident	12 Å²	12	17.1 Å²	17.1	6%	0.059	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124	169.5	-55.9	-53.5	159.3	0	0	110.5	P459 A463 R466 R558 I612 E613 D614	M388-P459 HydrophobicContact CB-CB 4.36Å; M388-P459 HydrophobicContact CE-CB 4.27Å; M388-P459 HydrophobicContact CG-CB 3.46Å; M388-P459 VanDerWaalsContact CG-CB 3.46Å; M388-A463 HydrophobicContact CB-CB 3.75Å; M388-A463 WeakPolarHBondContact O-CB 3.32Å; M388-R466 PolarHBondContact O-NH2 3.11Å; M388-R466 VanDerWaalsContact O-NH2 3.16Å; M388-R558 VanDerWaalsContact CE-NH2 3.3Å; M388-I612 HydrophobicContact CB-CG2 3.9Å; M388-E613 WeakPolarHBondContact CA-O 3.22Å; M388-D614 HydrophobicContact CE-CB 4.15Å; M388-D614 VanDerWaalsContact CE-CG 3.49Å; M388-D614 WeakPolarHBondContact CE-OD1 3.5Å; M388-D614 HydrophobicContact SD-CB 3.61Å
389	V	90.7	Very high	88.5	Confident	23 Å²	23	19 Å²	19	14%	0.139	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.9	179.9	-176.6	0	0	0	0	109.8	V387 K391 I612 E613	V387-V389 HydrophobicContact CG1-CG2 3.92Å; V389-K391 PolarHBondContact O-N 2.94Å; V389-I612 CarbonylContact O-C 3.59Å; V389-I612 WeakPolarHBondContact O-CA 3.37Å; V389-E613 PolarHBondContact N-O 2.99Å; V389-E613 PolarHBondContact O-N 3.43Å
390	F	92.5	Very high	88.8	Confident	6 Å²	6	18.9 Å²	18.9	3%	0.026	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	117.9	167.5	176	-107.2	0	0	0	108.3	C393 F408 M434 L464 L471 T610	F390-C393 HydrophobicContact CE2-CB 4.11Å; F390-C393 HydrophobicContact CZ-CB 3.81Å; F390-F408 HydrophobicContact CD1-CB 3.92Å; F390-F408 AromaticContact CD1-CD2 3.84Å; F390-F408 HydrophobicContact CD1-CD2 3.84Å; F390-F408 AromaticContact CD1-CG 3.95Å; F390-F408 HydrophobicContact CD1-CG 3.95Å; F390-F408 HydrophobicContact CE1-CB 4.28Å; F390-F408 HydrophobicContact CE1-CD1 4.41Å; F390-F408 AromaticContact CE1-CD2 3.43Å; F390-F408 HydrophobicContact CE1-CD2 3.43Å; F390-F408 VanDerWaalsContact CE1-CD2 3.43Å; F390-F408 AromaticContact CE1-CE2 3.8Å; F390-F408 HydrophobicContact CE1-CE2 3.8Å; F390-F408 AromaticContact CE1-CG 3.78Å; F390-F408 HydrophobicContact CE1-CG 3.78Å; F390-F408 HydrophobicContact CE1-CZ 4.44Å; F390-F408 HydrophobicContact CZ-CD2 4.2Å; F390-F408 HydrophobicContact CZ-CE2 4.24Å; F390-M434 HydrophobicContact CD1-CE 4.36Å; F390-M434 HydrophobicContact CD2-CE 4.02Å; F390-M434 HydrophobicContact CE1-CE 4.13Å; F390-M434 HydrophobicContact CE2-CE 3.77Å; F390-M434 HydrophobicContact CE2-SD 4.3Å; F390-M434 HydrophobicContact CG-CE 4.3Å; F390-M434 HydrophobicContact CZ-CE 3.82Å; F390-M434 HydrophobicContact CZ-SD 4.24Å; F390-L464 HydrophobicContact CD2-CD2 4.18Å; F390-L471 HydrophobicContact CE1-CD1 4.46Å; F390-T610 HydrophobicContact CE2-CG2 3.87Å
391	K	90.2	Very high	89	Confident	9 Å²	9	18.1 Å²	18.1	4%	0.039	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-44.9	-163.7	-177	56.2	174.8	-97.7	0	113.4	V389 T402 T403 A405 F408 Y557 A611 E613	V389-K391 PolarHBondContact O-N 2.94Å; K391-T402 WeakPolarHBondContact CE-O 3.46Å; K391-T403 WeakPolarHBondContact CE-O 3.44Å; K391-T403 PolarHBondContact NZ-O 3.35Å; K391-A405 WeakPolarHBondContact CE-O 3.5Å; K391-A405 PolarHBondContact NZ-O 3Å; K391-F408 WeakPolarHBondContact O-CD2 3.09Å; K391-Y557 HydrophobicContact CB-CE1 4.44Å; K391-Y557 HydrophobicContact CG-CE1 3.86Å; K391-Y557 HydrophobicContact CG-CE2 4.48Å; K391-A611 PolarHBondContact N-O 2.88Å; K391-E613 HydrophobicContact CB-CB 4.01Å; K391-E613 HydrophobicContact CG-CB 4.31Å; K391-E613 WeakPolarHBondContact CG-OE2 3.47Å; K391-E613 IonicContact NZ-OE2 2.93Å; K391-E613 PolarHBondContact NZ-OE2 3.39Å
392	R	92.5	Very high	89.2	Confident	20 Å²	20	21.1 Å²	21.1	8%	0.075	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	164.5	175.9	-61.8	179.8	73	-153.1	-4.8	110.5	Y400 G401 E551 F552 A611	R392-Y400 VanDerWaalsContact CA-O 3.29Å; R392-Y400 WeakPolarHBondContact CA-O 3.49Å; R392-Y400 WeakPolarHBondContact CB-O 3.05Å; R392-G401 PolarHBondContact NE-O 2.87Å; R392-E551 IonicContact CZ-OE1 2.77Å; R392-E551 IonicContact NH1-OE1 2.62Å; R392-E551 PolarHBondContact NH1-OE1 3.08Å; R392-E551 IonicContact NH2-OE1 3.35Å; R392-E551 PolarHBondContact NH2-OE1 3.05Å; R392-F552 HydrophobicContact CB-CE1 3.99Å; R392-F552 HydrophobicContact CB-CZ 4.26Å; R392-A611 HydrophobicContact CB-CB 4.11Å; R392-A611 PolarHBondContact N-O 3.33Å; R392-A611 WeakPolarHBondContact O-CA 3.32Å; R392-A611 WeakPolarHBondContact O-CB 3.36Å; R392-A611 PolarHBondContact O-N 3.36Å
393	C	93.9	Very high	88.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.3	169.3	62.8	0	0	0	0	111.7	F390 I395 T399 Y400 F430 A609	F390-C393 HydrophobicContact CE2-CB 4.11Å; F390-C393 HydrophobicContact CZ-CB 3.81Å; C393-I395 HydrophobicContact CB-CG1 4.37Å; C393-T399 CarbonylContact O-C 3.57Å; C393-T399 VanDerWaalsContact O-CA 3.29Å; C393-T399 WeakPolarHBondContact O-CA 3.43Å; C393-Y400 PolarHBondContact N-O 3.11Å; C393-Y400 PolarHBondContact O-N 3.39Å; C393-F430 HydrophobicContact CB-CE1 4.22Å; C393-F430 HydrophobicContact CB-CZ 4.13Å; C393-A609 CarbonylContact C-O 3.56Å; C393-A609 WeakPolarHBondContact CA-O 3.39Å; C393-A609 WeakPolarHBondContact CB-O 3.34Å
394	S	94.7	Very high	87.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	107.5	171.2	168.7	0	0	0	0	108	V398 H548 G608 A609	S394-V398 CarbonylContact C-O 3.54Å; S394-V398 WeakPolarHBondContact CA-O 3.34Å; S394-H548 PolarHBondContact OG-ND1 2.82Å; S394-G608 CarbonylContact O-C 3.56Å; S394-G608 WeakPolarHBondContact O-CA 3.3Å; S394-A609 PolarHBondContact N-O 3.4Å; S394-A609 PolarHBondContact O-N 3.44Å
395	I	94.2	Very high	87.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128	-178	-50	173.5	0	0	0	109	C393 G397 V398 Y400 L413 V426 I427 F430	C393-I395 HydrophobicContact CB-CG1 4.37Å; I395-G397 PolarHBondContact O-N 3.4Å; I395-G397 VanDerWaalsContact O-N 3.17Å; I395-V398 PolarHBondContact N-O 2.61Å; I395-V398 PolarHBondContact O-N 3.48Å; I395-Y400 HydrophobicContact CB-CD2 4.44Å; I395-Y400 HydrophobicContact CB-CE2 4.12Å; I395-Y400 HydrophobicContact CD1-CD2 4.42Å; I395-Y400 HydrophobicContact CG1-CD2 4.41Å; I395-L413 HydrophobicContact CD1-CD1 3.97Å; I395-V426 HydrophobicContact CG2-CB 4.5Å; I395-V426 HydrophobicContact CG2-CG1 4.02Å; I395-I427 HydrophobicContact CB-CG1 4.49Å; I395-I427 HydrophobicContact CG2-CG1 3.91Å; I395-F430 HydrophobicContact CD1-CB 4.41Å; I395-F430 HydrophobicContact CD1-CD1 3.41Å; I395-F430 VanDerWaalsContact CD1-CD1 3.41Å; I395-F430 HydrophobicContact CD1-CE1 3.63Å; I395-F430 HydrophobicContact CD1-CG 3.92Å; I395-F430 HydrophobicContact CD1-CZ 4.3Å; I395-F430 HydrophobicContact CG1-CD1 3.77Å; I395-F430 HydrophobicContact CG1-CD2 4.11Å; I395-F430 HydrophobicContact CG1-CE1 3.73Å; I395-F430 HydrophobicContact CG1-CE2 4.08Å; I395-F430 HydrophobicContact CG1-CG 3.95Å; I395-F430 HydrophobicContact CG1-CZ 3.87Å; I395-F430 HydrophobicContact CG2-CB 4.16Å; I395-F430 HydrophobicContact CG2-CD2 4.39Å; I395-F430 HydrophobicContact CG2-CG 4.24Å
396	A	90.4	Very high	86.8	Confident	6 Å²	6	37.4 Å²	37.4	5%	0.05	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.1	-178.2	0	0	0	0	0	114.1	V398 T423 V426 Y541 L607	A396-V398 VanDerWaalsContact C-N 3.35Å; A396-V398 PolarHBondContact O-N 3.1Å; A396-T423 HydrophobicContact CB-CG2 3.68Å; A396-V426 HydrophobicContact CB-CB 4.02Å; A396-V426 HydrophobicContact CB-CG1 4.02Å; A396-V426 HydrophobicContact CB-CG2 4.19Å; A396-Y541 VanDerWaalsContact C-CD1 3.47Å; A396-Y541 HydrophobicContact CB-CD2 4.35Å; A396-Y541 HydrophobicContact CB-CE1 4.24Å; A396-Y541 HydrophobicContact CB-CE2 3.86Å; A396-Y541 WeakPolarHBondContact O-CD1 3.46Å; A396-Y541 VanDerWaalsContact O-CE1 3.3Å; A396-Y541 WeakPolarHBondContact O-CE1 3.35Å; A396-L607 PolarHBondContact N-O 3.03Å; A396-L607 VanDerWaalsContact N-O 3.14Å
397	G	86.8	Confident	86.8	Confident	16 Å²	16	43.4 Å²	43.4	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	11	-178.6	0	0	0	0	0	115.8	I395 I544 H548	I395-G397 PolarHBondContact O-N 3.4Å; I395-G397 VanDerWaalsContact O-N 3.17Å; G397-I544 WeakPolarHBondContact O-CG2 3.48Å; G397-H548 PolarHBondContact O-CE1 2.78Å
398	V	91.4	Very high	86.8	Confident	57 Å²	57	41 Å²	41	35%	0.345	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.6	175.2	-177.4	0	0	0	0	109.8	S394 I395 A396 Y400	S394-V398 CarbonylContact C-O 3.54Å; S394-V398 WeakPolarHBondContact CA-O 3.34Å; I395-V398 PolarHBondContact N-O 2.61Å; I395-V398 PolarHBondContact O-N 3.48Å; A396-V398 VanDerWaalsContact C-N 3.35Å; A396-V398 PolarHBondContact O-N 3.1Å; V398-Y400 HydrophobicContact CB-CE2 3.82Å; V398-Y400 HydrophobicContact CG1-CD2 4.47Å; V398-Y400 HydrophobicContact CG1-CE1 4.03Å; V398-Y400 HydrophobicContact CG1-CE2 3.82Å; V398-Y400 WeakPolarHBondContact O-CD2 3.4Å; V398-Y400 WeakPolarHBondContact O-CE2 3.41Å
399	T	92.1	Very high	86.3	Confident	49 Å²	49	45.2 Å²	45.2	30%	0.301	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.3	171	54	0	0	0	0	111.3	C393 H548 F552	C393-T399 CarbonylContact O-C 3.57Å; C393-T399 VanDerWaalsContact O-CA 3.29Å; C393-T399 WeakPolarHBondContact O-CA 3.43Å; T399-H548 HydrophobicContact CG2-CB 4.18Å; T399-F552 HydrophobicContact CG2-CE1 4.45Å; T399-F552 HydrophobicContact CG2-CZ 4.25Å
400	Y	92.2	Very high	86	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.5	170.6	-56.8	-86.8	0	0	0	110.8	R392 C393 I395 V398 D410 S412 L413 N416	R392-Y400 VanDerWaalsContact CA-O 3.29Å; R392-Y400 WeakPolarHBondContact CA-O 3.49Å; R392-Y400 WeakPolarHBondContact CB-O 3.05Å; C393-Y400 PolarHBondContact N-O 3.11Å; C393-Y400 PolarHBondContact O-N 3.39Å; I395-Y400 HydrophobicContact CB-CD2 4.44Å; I395-Y400 HydrophobicContact CB-CE2 4.12Å; I395-Y400 HydrophobicContact CD1-CD2 4.42Å; I395-Y400 HydrophobicContact CG1-CD2 4.41Å; V398-Y400 HydrophobicContact CB-CE2 3.82Å; V398-Y400 HydrophobicContact CG1-CD2 4.47Å; V398-Y400 HydrophobicContact CG1-CE1 4.03Å; V398-Y400 HydrophobicContact CG1-CE2 3.82Å; V398-Y400 WeakPolarHBondContact O-CD2 3.4Å; V398-Y400 WeakPolarHBondContact O-CE2 3.41Å; Y400-D410 WeakPolarHBondContact CA-OD2 3.48Å; Y400-D410 WeakPolarHBondContact CB-OD2 3.31Å; Y400-S412 WeakPolarHBondContact CD1-OG 3.36Å; Y400-L413 HydrophobicContact CD1-CB 3.72Å; Y400-L413 HydrophobicContact CD1-CD1 4.44Å; Y400-L413 HydrophobicContact CD1-CG 4.26Å; Y400-L413 HydrophobicContact CD2-CD1 4.14Å; Y400-L413 HydrophobicContact CD2-CG 4.48Å; Y400-L413 HydrophobicContact CE1-CB 4.1Å; Y400-L413 HydrophobicContact CG-CB 4.09Å; Y400-L413 HydrophobicContact CG-CD1 3.95Å; Y400-L413 HydrophobicContact CG-CG 4.24Å; Y400-N416 PolarHBondContact OH-ND2 3.35Å
401	G	86.4	Confident	85.5	Confident	8 Å²	8	49.9 Å²	49.9	8%	0.082	27%	0.27	C	S	.	.			trans	91.4	144.9	-178.4	0	0	0	0	0	113.4	R392 D410	R392-G401 PolarHBondContact NE-O 2.87Å; G401-D410 PolarHBondContact N-OD2 3.49Å
402	T	83.2	Confident	85.2	Confident	70 Å²	70	51.5 Å²	51.5	43%	0.429	28%	0.282	S	S	.	.			trans	-103.4	156.8	-178.2	63.1	0	0	0	0	112.5	K391 A405	K391-T402 WeakPolarHBondContact CE-O 3.46Å; T402-A405 VanDerWaalsContact OG1-CB 3.29Å; T402-A405 WeakPolarHBondContact OG1-CB 3.3Å
403	T	76.1	Confident	85	Confident	80 Å²	80	50.5 Å²	50.5	49%	0.491	28%	0.279	S	S	.	.	S	Bend	trans	-77.8	-36.4	178.9	-53.1	0	0	0	0	112.4	K391	K391-T403 WeakPolarHBondContact CE-O 3.44Å; K391-T403 PolarHBondContact NZ-O 3.35Å
404	E	75.9	Confident	84.5	Confident	193 Å²	193	53 Å²	53	90%	0.902	29%	0.292	S	S	*	.	S	Bend	trans	-76.5	-26.9	-173.1	-61.3	-177.9	172.4	0	0	113.7
405	A	75.4	Confident	84.1	Confident	22 Å²	22	61.8 Å²	61.8	18%	0.182	33%	0.325	C	S	.	.	S	Bend	trans	-71.7	144.3	179	0	0	0	0	0	111.9	K391 T402 R407 D409	K391-A405 WeakPolarHBondContact CE-O 3.5Å; K391-A405 PolarHBondContact NZ-O 3Å; T402-A405 VanDerWaalsContact OG1-CB 3.29Å; T402-A405 WeakPolarHBondContact OG1-CB 3.3Å; A405-R407 WeakPolarHBondContact CB-O 3.44Å; A405-R407 PolarHBondContact O-N 3.28Å; A405-D409 HydrophobicContact CB-CB 3.96Å
406	D	73.6	Confident	83.8	Confident	111 Å²	111	63.3 Å²	63.3	59%	0.594	33%	0.333	S	S	*	.	S	Bend	trans	-78.5	-6.1	-176	-142.9	40.6	0	0	0	113.5	K615	D406-K615 IonicContact OD1-NZ 2.76Å; D406-K615 PolarHBondContact OD1-NZ 3.48Å; D406-K615 IonicContact OD2-NZ 2.61Å; D406-K615 PolarHBondContact OD2-NZ 3.49Å
407	R	79.1	Confident	83.6	Confident	155 Å²	155	64.1 Å²	64.1	59%	0.585	34%	0.336	S	S	*	.	S	Bend	trans	-144.8	180	176.7	-57.6	-168.8	-170.2	-169.5	6.4	109.8	A405 D409 E470	A405-R407 WeakPolarHBondContact CB-O 3.44Å; A405-R407 PolarHBondContact O-N 3.28Å; R407-D409 PolarHBondContact O-N 3.34Å; R407-E470 WeakPolarHBondContact CD-OE1 3.45Å; R407-E470 IonicContact CZ-OE1 3Å; R407-E470 IonicContact NH1-OE1 2.7Å; R407-E470 PolarHBondContact NH1-OE1 3.45Å
408	F	83.3	Confident	83.4	Confident	23 Å²	23	67.7 Å²	67.7	10%	0.101	36%	0.359	C	S	.	.			trans	-66.7	98.5	168.4	-171.6	-87.8	0	0	0	110.8	F390 K391 D410 L413 L471	F390-F408 HydrophobicContact CD1-CB 3.92Å; F390-F408 AromaticContact CD1-CD2 3.84Å; F390-F408 HydrophobicContact CD1-CD2 3.84Å; F390-F408 AromaticContact CD1-CG 3.95Å; F390-F408 HydrophobicContact CD1-CG 3.95Å; F390-F408 HydrophobicContact CE1-CB 4.28Å; F390-F408 HydrophobicContact CE1-CD1 4.41Å; F390-F408 AromaticContact CE1-CD2 3.43Å; F390-F408 HydrophobicContact CE1-CD2 3.43Å; F390-F408 VanDerWaalsContact CE1-CD2 3.43Å; F390-F408 AromaticContact CE1-CE2 3.8Å; F390-F408 HydrophobicContact CE1-CE2 3.8Å; F390-F408 AromaticContact CE1-CG 3.78Å; F390-F408 HydrophobicContact CE1-CG 3.78Å; F390-F408 HydrophobicContact CE1-CZ 4.44Å; F390-F408 HydrophobicContact CZ-CD2 4.2Å; F390-F408 HydrophobicContact CZ-CE2 4.24Å; K391-F408 WeakPolarHBondContact O-CD2 3.09Å; F408-D410 HydrophobicContact CE1-CB 4Å; F408-D410 HydrophobicContact CZ-CB 4.02Å; F408-L413 HydrophobicContact CE1-CD1 4.11Å; F408-L413 HydrophobicContact CZ-CD1 3.65Å; F408-L471 HydrophobicContact CD1-CD1 4.36Å; F408-L471 HydrophobicContact CD1-CD2 4.13Å; F408-L471 HydrophobicContact CE1-CD1 4.16Å; F408-L471 HydrophobicContact CE1-CD2 3.99Å
409	D	78.7	Confident	83.1	Confident	100 Å²	100	68.5 Å²	68.5	54%	0.535	37%	0.367	S	S	.	.			trans	-111.6	106.3	167.1	-174.8	14	0	0	0	109.8	A405 R407	A405-D409 HydrophobicContact CB-CB 3.96Å; R407-D409 PolarHBondContact O-N 3.34Å
410	D	82.8	Confident	82.5	Confident	33 Å²	33	76.9 Å²	76.9	18%	0.176	39%	0.393	C	S	.	.			trans	-157.4	91.3	167.9	-168.7	-19.9	0	0	0	111.4	Y400 G401 F408 S412 L413	Y400-D410 WeakPolarHBondContact CA-OD2 3.48Å; Y400-D410 WeakPolarHBondContact CB-OD2 3.31Å; G401-D410 PolarHBondContact N-OD2 3.49Å; F408-D410 HydrophobicContact CE1-CB 4Å; F408-D410 HydrophobicContact CZ-CB 4.02Å; D410-S412 PolarHBondContact O-N 3.02Å; D410-S412 VanDerWaalsContact O-N 3.11Å; D410-S412 WeakPolarHBondContact OD1-CA 3.33Å; D410-S412 WeakPolarHBondContact OD1-CB 3.38Å; D410-S412 PolarHBondContact OD1-N 3.26Å; D410-S412 PolarHBondContact OD1-OG 3.11Å; D410-S412 PolarHBondContact OD2-OG 3.13Å; D410-L413 PolarHBondContact O-N 3.39Å
411	P	81.9	Confident	82.1	Confident	93 Å²	93	80.6 Å²	80.6	60%	0.604	41%	0.41	S	S	*	.	H	α-helix	trans	-66.9	-9.2	177.5	27.2	-34.8	0	0	0	113.3	L413 R415	P411-L413 VanDerWaalsContact C-N 3.29Å; P411-L413 PolarHBondContact O-N 3.5Å; P411-R415 VanDerWaalsContact O-CB 3.26Å; P411-R415 WeakPolarHBondContact O-CB 3.25Å; P411-R415 PolarHBondContact O-N 3.13Å
412	S	85.5	Confident	82.1	Confident	43 Å²	43	87.2 Å²	87.2	30%	0.301	44%	0.442	S	S	.	.	H	α-helix	trans	-69.1	-27.2	176.3	82.6	0	0	0	0	112.5	Y400 D410 R415 N416	Y400-S412 WeakPolarHBondContact CD1-OG 3.36Å; D410-S412 PolarHBondContact O-N 3.02Å; D410-S412 VanDerWaalsContact O-N 3.11Å; D410-S412 WeakPolarHBondContact OD1-CA 3.33Å; D410-S412 WeakPolarHBondContact OD1-CB 3.38Å; D410-S412 PolarHBondContact OD1-N 3.26Å; D410-S412 PolarHBondContact OD1-OG 3.11Å; D410-S412 PolarHBondContact OD2-OG 3.13Å; S412-R415 PolarHBondContact O-N 3.23Å; S412-N416 VanDerWaalsContact O-CB 3.32Å; S412-N416 WeakPolarHBondContact O-CB 3.45Å; S412-N416 PolarHBondContact O-N 3.24Å; S412-N416 PolarHBondContact O-ND2 3.26Å
413	L	86.6	Confident	82.4	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-64.9	-52.4	176.6	-169	160	0	0	0	110.8	I395 Y400 F408 D410 P411 R415 N416 L417 I427 L431 L471	I395-L413 HydrophobicContact CD1-CD1 3.97Å; Y400-L413 HydrophobicContact CD1-CB 3.72Å; Y400-L413 HydrophobicContact CD1-CD1 4.44Å; Y400-L413 HydrophobicContact CD1-CG 4.26Å; Y400-L413 HydrophobicContact CD2-CD1 4.14Å; Y400-L413 HydrophobicContact CD2-CG 4.48Å; Y400-L413 HydrophobicContact CE1-CB 4.1Å; Y400-L413 HydrophobicContact CG-CB 4.09Å; Y400-L413 HydrophobicContact CG-CD1 3.95Å; Y400-L413 HydrophobicContact CG-CG 4.24Å; F408-L413 HydrophobicContact CE1-CD1 4.11Å; F408-L413 HydrophobicContact CZ-CD1 3.65Å; D410-L413 PolarHBondContact O-N 3.39Å; P411-L413 VanDerWaalsContact C-N 3.29Å; P411-L413 PolarHBondContact O-N 3.5Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 2.57Å; L413-N416 PolarHBondContact O-N 2.91Å; L413-L417 PolarHBondContact O-N 3.5Å; L413-I427 HydrophobicContact CD2-CG2 3.66Å; L413-I427 HydrophobicContact CG-CG2 4.26Å; L413-L431 HydrophobicContact CD2-CD1 4.01Å; L413-L471 HydrophobicContact CD1-CD1 4.41Å; L413-L471 HydrophobicContact CD2-CD1 4.43Å
414	L	84.4	Confident	83	Confident	53 Å²	53	80.9 Å²	80.9	28%	0.277	41%	0.405	S	S	.	.	H	α-helix	trans	-66.8	-33.5	176.1	-65.5	177.4	0	0	0	111.9	L417 S418 L471	L414-L417 PolarHBondContact O-N 2.83Å; L414-S418 WeakPolarHBondContact O-CB 3.47Å; L414-S418 PolarHBondContact O-N 2.84Å; L414-S418 PolarHBondContact O-OG 2.83Å; L414-L471 HydrophobicContact CD1-CD2 4.12Å; L414-L471 HydrophobicContact CD2-CB 4.38Å; L414-L471 HydrophobicContact CD2-CD2 4.19Å; L414-L471 HydrophobicContact CG-CD2 4.03Å
415	R	85.9	Confident	83.6	Confident	183 Å²	183	76 Å²	76	69%	0.691	39%	0.39	S	S	*	.	H	α-helix	trans	-62.8	-44.2	171.7	-173.1	178.5	176.7	-172.3	-1.4	112	P411 S412 L413 L417 S418 S419	P411-R415 VanDerWaalsContact O-CB 3.26Å; P411-R415 WeakPolarHBondContact O-CB 3.25Å; P411-R415 PolarHBondContact O-N 3.13Å; S412-R415 PolarHBondContact O-N 3.23Å; L413-R415 VanDerWaalsContact C-N 3.32Å; L413-R415 PolarHBondContact O-N 2.57Å; R415-L417 VanDerWaalsContact C-N 3.35Å; R415-S418 WeakPolarHBondContact CA-OG 3.42Å; R415-S418 PolarHBondContact O-N 3.16Å; R415-S418 PolarHBondContact O-OG 2.76Å; R415-S418 VanDerWaalsContact O-OG 3.12Å; R415-S419 WeakPolarHBondContact O-CB 3.4Å; R415-S419 PolarHBondContact O-N 2.87Å; R415-S419 PolarHBondContact O-OG 3.35Å
416	N	87.9	Confident	84.4	Confident	32 Å²	32	76.1 Å²	76.1	17%	0.171	39%	0.388	C	S	.	.	H	α-helix	trans	-66.5	-37.2	178.8	-74.3	-16.1	0	0	0	112	Y400 S412 L413 R420 H421 I427	Y400-N416 PolarHBondContact OH-ND2 3.35Å; S412-N416 VanDerWaalsContact O-CB 3.32Å; S412-N416 WeakPolarHBondContact O-CB 3.45Å; S412-N416 PolarHBondContact O-N 3.24Å; S412-N416 PolarHBondContact O-ND2 3.26Å; L413-N416 PolarHBondContact O-N 2.91Å; N416-R420 PolarHBondContact O-N 3.47Å; N416-H421 HydrophobicContact CB-CB 4Å; N416-H421 WeakPolarHBondContact O-CB 3.26Å; N416-H421 PolarHBondContact O-N 2.98Å; N416-I427 HydrophobicContact CB-CD1 3.94Å
417	L	85.8	Confident	85.3	Confident	23 Å²	23	70.8 Å²	70.8	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-49.9	174.2	-176.5	62.7	0	0	0	111.7	L413 L414 R415 R420 A424 I427 R428 L431 F473 L488	L413-L417 PolarHBondContact O-N 3.5Å; L414-L417 PolarHBondContact O-N 2.83Å; R415-L417 VanDerWaalsContact C-N 3.35Å; L417-R420 PolarHBondContact O-N 3.49Å; L417-A424 HydrophobicContact CD1-CB 4.43Å; L417-I427 HydrophobicContact CB-CG2 4.37Å; L417-I427 HydrophobicContact CD1-CG2 4.34Å; L417-R428 HydrophobicContact CD1-CB 4.01Å; L417-L431 HydrophobicContact CD2-CD1 4.48Å; L417-F473 HydrophobicContact CD2-CE2 3.92Å; L417-F473 HydrophobicContact CD2-CZ 4.04Å; L417-L488 HydrophobicContact CD2-CD1 4.24Å; L417-L488 HydrophobicContact CD2-CD2 4.48Å
418	S	84.1	Confident	86	Confident	91 Å²	91	67 Å²	67	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-71.8	-37	-178.5	54.3	0	0	0	0	113.6	L414 R415 R420	L414-S418 WeakPolarHBondContact O-CB 3.47Å; L414-S418 PolarHBondContact O-N 2.84Å; L414-S418 PolarHBondContact O-OG 2.83Å; R415-S418 WeakPolarHBondContact CA-OG 3.42Å; R415-S418 PolarHBondContact O-N 3.16Å; R415-S418 PolarHBondContact O-OG 2.76Å; R415-S418 VanDerWaalsContact O-OG 3.12Å; S418-R420 PolarHBondContact O-N 3.39Å
419	S	84	Confident	86.5	Confident	74 Å²	74	67.4 Å²	67.4	52%	0.517	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	0.8	176.5	77.4	0	0	0	0	114.1	R415 H421	R415-S419 WeakPolarHBondContact O-CB 3.4Å; R415-S419 PolarHBondContact O-N 2.87Å; R415-S419 PolarHBondContact O-OG 3.35Å; S419-H421 VanDerWaalsContact C-N 3.31Å; S419-H421 PolarHBondContact O-N 3.37Å
420	R	78.9	Confident	87.2	Confident	225 Å²	225	62.7 Å²	62.7	85%	0.849	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	43.8	-175.8	-55	-178	179.8	-175.7	-0.4	112.9	N416 L417 S418	N416-R420 PolarHBondContact O-N 3.47Å; L417-R420 PolarHBondContact O-N 3.49Å; S418-R420 PolarHBondContact O-N 3.39Å
421	H	83.8	Confident	87.7	Confident	81 Å²	81	61.1 Å²	61.1	38%	0.375	31%	0.314	S	S	.	.			trans	-57.6	159.2	172.9	-172	-114	0	0	0	111.2	N416 S419 T423 A424	N416-H421 HydrophobicContact CB-CB 4Å; N416-H421 WeakPolarHBondContact O-CB 3.26Å; N416-H421 PolarHBondContact O-N 2.98Å; S419-H421 VanDerWaalsContact C-N 3.31Å; S419-H421 PolarHBondContact O-N 3.37Å; H421-T423 PolarHBondContact ND1-OG1 2.74Å; H421-T423 PolarHBondContact O-N 3.29Å; H421-A424 WeakPolarHBondContact O-CB 3.37Å; H421-A424 PolarHBondContact O-N 2.92Å
422	I	87.3	Confident	88.3	Confident	146 Å²	146	56.7 Å²	56.7	75%	0.749	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	-177.7	-164.5	168.2	0	0	0	113.1
423	T	88.4	Confident	88.7	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.043	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.9	174.9	58	0	0	0	0	114.3	A396 H421 P425 V426 I427	A396-T423 HydrophobicContact CB-CG2 3.68Å; H421-T423 PolarHBondContact ND1-OG1 2.74Å; H421-T423 PolarHBondContact O-N 3.29Å; T423-P425 VanDerWaalsContact C-CD 3.45Å; T423-V426 WeakPolarHBondContact O-CA 3.48Å; T423-V426 WeakPolarHBondContact O-CB 3.27Å; T423-V426 PolarHBondContact O-N 2.86Å; T423-I427 WeakPolarHBondContact O-CG1 3.45Å; T423-I427 PolarHBondContact O-N 2.86Å; T423-I427 WeakPolarHBondContact OG1-CD1 3.24Å
424	A	88.8	Confident	89.1	Confident	11 Å²	11	55 Å²	55	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-54.8	-38.5	-174.3	0	0	0	0	0	114.8	L417 H421 V426 I427 R428	L417-A424 HydrophobicContact CD1-CB 4.43Å; H421-A424 WeakPolarHBondContact O-CB 3.37Å; H421-A424 PolarHBondContact O-N 2.92Å; A424-V426 VanDerWaalsContact C-N 3.3Å; A424-V426 PolarHBondContact O-N 2.66Å; A424-I427 PolarHBondContact O-N 3.34Å; A424-R428 PolarHBondContact O-N 3.03Å
425	P	90.3	Very high	89.5	Confident	90 Å²	90	52.5 Å²	52.5	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-62.9	-35.6	173.8	-22.7	35	0	0	0	112.9	T423 E429	T423-P425 VanDerWaalsContact C-CD 3.45Å; P425-E429 WeakPolarHBondContact O-CG 3.44Å; P425-E429 PolarHBondContact O-N 3.31Å
426	V	92.1	Very high	89.8	Confident	24 Å²	24	43.8 Å²	43.8	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-74.3	-41	177.9	-169.9	0	0	0	0	110.5	I395 A396 T423 A424 R428 E429 F430 L607	I395-V426 HydrophobicContact CG2-CB 4.5Å; I395-V426 HydrophobicContact CG2-CG1 4.02Å; A396-V426 HydrophobicContact CB-CB 4.02Å; A396-V426 HydrophobicContact CB-CG1 4.02Å; A396-V426 HydrophobicContact CB-CG2 4.19Å; T423-V426 WeakPolarHBondContact O-CA 3.48Å; T423-V426 WeakPolarHBondContact O-CB 3.27Å; T423-V426 PolarHBondContact O-N 2.86Å; A424-V426 VanDerWaalsContact C-N 3.3Å; A424-V426 PolarHBondContact O-N 2.66Å; V426-R428 PolarHBondContact O-N 3.15Å; V426-E429 PolarHBondContact O-N 2.92Å; V426-F430 VanDerWaalsContact O-CB 3.31Å; V426-F430 WeakPolarHBondContact O-CB 3.39Å; V426-F430 PolarHBondContact O-N 3.43Å; V426-L607 HydrophobicContact CG1-CB 4.27Å; V426-L607 HydrophobicContact CG1-CD2 3.99Å; V426-L607 WeakPolarHBondContact CG1-O 3.16Å
427	I	92.7	Very high	90.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-47.5	174.9	-64.4	168.1	0	0	0	110.7	I395 L413 N416 L417 T423 A424 E429 F430 L431	I395-I427 HydrophobicContact CB-CG1 4.49Å; I395-I427 HydrophobicContact CG2-CG1 3.91Å; L413-I427 HydrophobicContact CD2-CG2 3.66Å; L413-I427 HydrophobicContact CG-CG2 4.26Å; N416-I427 HydrophobicContact CB-CD1 3.94Å; L417-I427 HydrophobicContact CB-CG2 4.37Å; L417-I427 HydrophobicContact CD1-CG2 4.34Å; T423-I427 WeakPolarHBondContact O-CG1 3.45Å; T423-I427 PolarHBondContact O-N 2.86Å; T423-I427 WeakPolarHBondContact OG1-CD1 3.24Å; A424-I427 PolarHBondContact O-N 3.34Å; I427-E429 PolarHBondContact O-N 3.25Å; I427-F430 PolarHBondContact O-N 3.27Å; I427-L431 HydrophobicContact CG2-CD1 4.02Å; I427-L431 HydrophobicContact CG2-CG 4.46Å; I427-L431 WeakPolarHBondContact O-CG 3.48Å; I427-L431 PolarHBondContact O-N 3.27Å
428	R	92.7	Very high	90.3	Very high	75 Å²	75	41.5 Å²	41.5	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-61.2	-44	178	-170.9	-179	175.1	-77.8	-3.9	112.3	L417 A424 V426 I432 F473 E492	L417-R428 HydrophobicContact CD1-CB 4.01Å; A424-R428 PolarHBondContact O-N 3.03Å; V426-R428 PolarHBondContact O-N 3.15Å; R428-I432 HydrophobicContact CG-CD1 3.9Å; R428-I432 WeakPolarHBondContact O-CB 3.14Å; R428-I432 WeakPolarHBondContact O-CD1 3.32Å; R428-I432 VanDerWaalsContact O-CG1 3.26Å; R428-I432 WeakPolarHBondContact O-CG1 3.23Å; R428-I432 PolarHBondContact O-N 3Å; R428-I432 VanDerWaalsContact O-N 3.09Å; R428-F473 HydrophobicContact CG-CE1 4.3Å; R428-F473 HydrophobicContact CG-CZ 4.35Å; R428-E492 IonicContact CZ-OE1 2.73Å; R428-E492 IonicContact CZ-OE2 2.58Å; R428-E492 IonicContact NH2-OE1 3.11Å; R428-E492 PolarHBondContact NH2-OE1 3.24Å; R428-E492 IonicContact NH2-OE2 2.68Å; R428-E492 PolarHBondContact NH2-OE2 2.62Å
429	E	92.9	Very high	90.5	Very high	32 Å²	32	37.2 Å²	37.2	15%	0.15	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-36.5	178.8	-63.6	-82.7	109.9	0	0	111.9	P425 V426 I427 M433 K521 K564 L607	P425-E429 WeakPolarHBondContact O-CG 3.44Å; P425-E429 PolarHBondContact O-N 3.31Å; V426-E429 PolarHBondContact O-N 2.92Å; I427-E429 PolarHBondContact O-N 3.25Å; E429-M433 WeakPolarHBondContact O-CB 3.46Å; E429-M433 PolarHBondContact O-N 3.12Å; E429-K521 IonicContact OE1-NZ 2.75Å; E429-K521 PolarHBondContact OE1-NZ 2.9Å; E429-K521 IonicContact OE2-NZ 2.69Å; E429-K521 PolarHBondContact OE2-NZ 3.22Å; E429-K564 WeakPolarHBondContact OE2-CE 3.45Å; E429-K564 IonicContact OE2-NZ 2.85Å; E429-K564 PolarHBondContact OE2-NZ 3.47Å; E429-L607 HydrophobicContact CB-CD1 4.3Å; E429-L607 HydrophobicContact CB-CD2 4.24Å
430	F	94.6	Very high	90.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-45.2	177.2	-174.3	-87.4	0	0	0	112.4	C393 I395 V426 I427 M433 M434 M562 L607 T610	C393-F430 HydrophobicContact CB-CE1 4.22Å; C393-F430 HydrophobicContact CB-CZ 4.13Å; I395-F430 HydrophobicContact CD1-CB 4.41Å; I395-F430 HydrophobicContact CD1-CD1 3.41Å; I395-F430 VanDerWaalsContact CD1-CD1 3.41Å; I395-F430 HydrophobicContact CD1-CE1 3.63Å; I395-F430 HydrophobicContact CD1-CG 3.92Å; I395-F430 HydrophobicContact CD1-CZ 4.3Å; I395-F430 HydrophobicContact CG1-CD1 3.77Å; I395-F430 HydrophobicContact CG1-CD2 4.11Å; I395-F430 HydrophobicContact CG1-CE1 3.73Å; I395-F430 HydrophobicContact CG1-CE2 4.08Å; I395-F430 HydrophobicContact CG1-CG 3.95Å; I395-F430 HydrophobicContact CG1-CZ 3.87Å; I395-F430 HydrophobicContact CG2-CB 4.16Å; I395-F430 HydrophobicContact CG2-CD2 4.39Å; I395-F430 HydrophobicContact CG2-CG 4.24Å; V426-F430 VanDerWaalsContact O-CB 3.31Å; V426-F430 WeakPolarHBondContact O-CB 3.39Å; V426-F430 PolarHBondContact O-N 3.43Å; I427-F430 PolarHBondContact O-N 3.27Å; F430-M433 WeakPolarHBondContact O-CB 3.35Å; F430-M433 PolarHBondContact O-N 3.08Å; F430-M434 HydrophobicContact CD1-CG 4.5Å; F430-M434 HydrophobicContact CD1-SD 3.81Å; F430-M434 HydrophobicContact CE1-CG 4.42Å; F430-M434 HydrophobicContact CE1-SD 3.51Å; F430-M434 VanDerWaalsContact CE1-SD 3.51Å; F430-M434 HydrophobicContact CZ-SD 4.49Å; F430-M434 PolarHBondContact O-N 3.34Å; F430-M562 HydrophobicContact CD2-CB 4Å; F430-M562 HydrophobicContact CD2-CG 4.32Å; F430-M562 HydrophobicContact CE2-CB 3.74Å; F430-M562 HydrophobicContact CE2-CG 3.72Å; F430-M562 HydrophobicContact CZ-CG 4.22Å; F430-L607 HydrophobicContact CD2-CB 3.97Å; F430-T610 HydrophobicContact CE1-CG2 4.01Å; F430-T610 HydrophobicContact CE2-CG2 4.41Å; F430-T610 HydrophobicContact CZ-CG2 3.49Å; F430-T610 VanDerWaalsContact CZ-CG2 3.49Å
431	L	93.9	Very high	91.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.7	-37.3	177.7	-64.5	175.9	0	0	0	112.2	L413 L417 I427 M433 M434 A435 L471 F473	L413-L431 HydrophobicContact CD2-CD1 4.01Å; L417-L431 HydrophobicContact CD2-CD1 4.48Å; I427-L431 HydrophobicContact CG2-CD1 4.02Å; I427-L431 HydrophobicContact CG2-CG 4.46Å; I427-L431 WeakPolarHBondContact O-CG 3.48Å; I427-L431 PolarHBondContact O-N 3.27Å; L431-M433 VanDerWaalsContact C-N 3.32Å; L431-M433 PolarHBondContact O-N 3.47Å; L431-M434 HydrophobicContact CD2-SD 4.18Å; L431-M434 PolarHBondContact O-N 3.45Å; L431-A435 PolarHBondContact O-N 3.01Å; L431-L471 HydrophobicContact CD2-CD1 3.7Å; L431-F473 HydrophobicContact CB-CD1 3.73Å; L431-F473 HydrophobicContact CB-CD2 3.85Å; L431-F473 HydrophobicContact CB-CE1 3.82Å; L431-F473 HydrophobicContact CB-CE2 3.96Å; L431-F473 HydrophobicContact CB-CG 3.76Å; L431-F473 HydrophobicContact CB-CZ 3.94Å; L431-F473 HydrophobicContact CD1-CD2 3.65Å; L431-F473 HydrophobicContact CD1-CE2 3.33Å; L431-F473 HydrophobicContact CD1-CG 4.42Å; L431-F473 HydrophobicContact CD1-CZ 3.85Å; L431-F473 HydrophobicContact CG-CD2 4.34Å; L431-F473 HydrophobicContact CG-CE2 4.29Å
432	I	94.3	Very high	91.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-39.9	172.1	-70.8	168.5	0	0	0	110.9	R428 A435 T436 F473 I485 V487 Y494 Y523	R428-I432 HydrophobicContact CG-CD1 3.9Å; R428-I432 WeakPolarHBondContact O-CB 3.14Å; R428-I432 WeakPolarHBondContact O-CD1 3.32Å; R428-I432 VanDerWaalsContact O-CG1 3.26Å; R428-I432 WeakPolarHBondContact O-CG1 3.23Å; R428-I432 PolarHBondContact O-N 3Å; R428-I432 VanDerWaalsContact O-N 3.09Å; I432-A435 CarbonylContact O-C 2.98Å; I432-A435 PolarHBondContact O-N 3.48Å; I432-T436 HydrophobicContact CG2-CG2 4.19Å; I432-T436 WeakPolarHBondContact O-CB 3.39Å; I432-T436 WeakPolarHBondContact O-CG2 3.38Å; I432-T436 PolarHBondContact O-N 3.19Å; I432-T436 PolarHBondContact O-OG1 2.96Å; I432-F473 HydrophobicContact CD1-CE1 4.4Å; I432-F473 HydrophobicContact CG1-CD1 3.94Å; I432-F473 HydrophobicContact CG1-CE1 3.77Å; I432-I485 HydrophobicContact CB-CD1 4.42Å; I432-I485 HydrophobicContact CG1-CD1 4.01Å; I432-I485 HydrophobicContact CG2-CD1 4.04Å; I432-V487 HydrophobicContact CG1-CG2 4.45Å; I432-Y494 HydrophobicContact CG2-CE1 4.14Å; I432-Y494 HydrophobicContact CG2-CE2 4.49Å; I432-Y523 HydrophobicContact CG2-CE2 4.25Å; I432-Y523 WeakPolarHBondContact CG2-OH 3.46Å
433	M	94	Very high	90.9	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-61.8	-43.3	175.5	176.3	170.6	175.4	0	0	111.6	E429 F430 L431 A435 T436 C437 Y523 T524 K525 M562 L607	E429-M433 WeakPolarHBondContact O-CB 3.46Å; E429-M433 PolarHBondContact O-N 3.12Å; F430-M433 WeakPolarHBondContact O-CB 3.35Å; F430-M433 PolarHBondContact O-N 3.08Å; L431-M433 VanDerWaalsContact C-N 3.32Å; L431-M433 PolarHBondContact O-N 3.47Å; M433-A435 VanDerWaalsContact C-N 3.28Å; M433-A435 PolarHBondContact O-N 3.12Å; M433-T436 PolarHBondContact O-N 3.11Å; M433-C437 HydrophobicContact CG-CB 4.11Å; M433-C437 VanDerWaalsContact O-CB 3.24Å; M433-C437 WeakPolarHBondContact O-CB 3.34Å; M433-C437 PolarHBondContact O-N 3.35Å; M433-Y523 HydrophobicContact CB-CD1 4.02Å; M433-Y523 HydrophobicContact CB-CE1 4.27Å; M433-Y523 HydrophobicContact CB-CG 4.19Å; M433-Y523 HydrophobicContact CG-CD1 4.08Å; M433-Y523 HydrophobicContact CG-CG 4Å; M433-Y523 HydrophobicContact SD-CD1 4.09Å; M433-Y523 HydrophobicContact SD-CG 4.37Å; M433-T524 WeakPolarHBondContact CE-O 3.5Å; M433-K525 HydrophobicContact CE-CB 3.94Å; M433-M562 HydrophobicContact CE-CB 4.01Å; M433-M562 HydrophobicContact CE-CG 4.4Å; M433-M562 HydrophobicContact CE-SD 3.55Å; M433-M562 VanDerWaalsContact CE-SD 3.55Å; M433-M562 HydrophobicContact SD-CB 3.96Å; M433-M562 HydrophobicContact SD-SD 4.32Å; M433-L607 HydrophobicContact SD-CD1 3.96Å
434	M	94	Very high	90.4	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-37.1	172.9	-71.2	173.6	59.2	0	0	112.7	F390 F430 L431 H438 L464 A468 T610	F390-M434 HydrophobicContact CD1-CE 4.36Å; F390-M434 HydrophobicContact CD2-CE 4.02Å; F390-M434 HydrophobicContact CE1-CE 4.13Å; F390-M434 HydrophobicContact CE2-CE 3.77Å; F390-M434 HydrophobicContact CE2-SD 4.3Å; F390-M434 HydrophobicContact CG-CE 4.3Å; F390-M434 HydrophobicContact CZ-CE 3.82Å; F390-M434 HydrophobicContact CZ-SD 4.24Å; F430-M434 HydrophobicContact CD1-CG 4.5Å; F430-M434 HydrophobicContact CD1-SD 3.81Å; F430-M434 HydrophobicContact CE1-CG 4.42Å; F430-M434 HydrophobicContact CE1-SD 3.51Å; F430-M434 VanDerWaalsContact CE1-SD 3.51Å; F430-M434 HydrophobicContact CZ-SD 4.49Å; F430-M434 PolarHBondContact O-N 3.34Å; L431-M434 HydrophobicContact CD2-SD 4.18Å; L431-M434 PolarHBondContact O-N 3.45Å; M434-H438 PolarHBondContact O-CD2 2.82Å; M434-L464 HydrophobicContact CE-CB 4.46Å; M434-L464 HydrophobicContact CE-CD2 4.08Å; M434-L464 VanDerWaalsContact CE-O 3.27Å; M434-L464 WeakPolarHBondContact CE-O 3.45Å; M434-L464 HydrophobicContact CG-CD2 4.44Å; M434-A468 HydrophobicContact CB-CB 4.18Å; M434-T610 HydrophobicContact SD-CG2 4.38Å
435	A	93.7	Very high	89.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.7	-179.4	0	0	0	0	0	115.2	L431 I432 M433 H438 A468 F473 I485	L431-A435 PolarHBondContact O-N 3.01Å; I432-A435 CarbonylContact O-C 2.98Å; I432-A435 PolarHBondContact O-N 3.48Å; M433-A435 VanDerWaalsContact C-N 3.28Å; M433-A435 PolarHBondContact O-N 3.12Å; A435-H438 VanDerWaalsContact C-NE2 3.29Å; A435-H438 PolarHBondContact O-NE2 3.08Å; A435-A468 HydrophobicContact CB-CB 4.09Å; A435-F473 HydrophobicContact CB-CB 4.43Å; A435-I485 HydrophobicContact CB-CG2 3.98Å; A435-I485 VanDerWaalsContact O-CG2 3.24Å; A435-I485 WeakPolarHBondContact O-CG2 3.33Å
436	T	92.5	Very high	87.9	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-32.4	179.1	54.4	0	0	0	0	114.4	I432 M433 H438 I483 I485 Y494 Y523	I432-T436 HydrophobicContact CG2-CG2 4.19Å; I432-T436 WeakPolarHBondContact O-CB 3.39Å; I432-T436 WeakPolarHBondContact O-CG2 3.38Å; I432-T436 PolarHBondContact O-N 3.19Å; I432-T436 PolarHBondContact O-OG1 2.96Å; M433-T436 PolarHBondContact O-N 3.11Å; T436-H438 VanDerWaalsContact C-N 3.33Å; T436-H438 PolarHBondContact O-N 2.72Å; T436-I483 HydrophobicContact CG2-CG2 4.22Å; T436-I485 HydrophobicContact CG2-CD1 4.14Å; T436-I485 HydrophobicContact CG2-CG2 4.3Å; T436-Y494 HydrophobicContact CG2-CD2 4.41Å; T436-Y494 HydrophobicContact CG2-CG 4.33Å; T436-Y523 WeakPolarHBondContact OG1-CE2 3.39Å
437	C	92.8	Very high	86.3	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.027	16%	0.155	C	C	.	.	S	Bend	trans	-86.8	62.9	-175.1	-170.7	0	0	0	0	111.8	M433 V511 K525	M433-C437 HydrophobicContact CG-CB 4.11Å; M433-C437 VanDerWaalsContact O-CB 3.24Å; M433-C437 WeakPolarHBondContact O-CB 3.34Å; M433-C437 PolarHBondContact O-N 3.35Å; C437-V511 HydrophobicContact CB-CG2 4.47Å; C437-K525 WeakPolarHBondContact O-CE 3.28Å; C437-K525 PolarHBondContact O-NZ 2.87Å
438	H	91.6	Very high	84.5	Confident	3 Å²	3	36.4 Å²	36.4	1%	0.014	20%	0.196	C	C	.	.	S	Bend	trans	-156.6	161	-175.2	60.5	74.7	0	0	0	116.2	M434 A435 T436 V440 E461 V465 F475 R478	M434-H438 PolarHBondContact O-CD2 2.82Å; A435-H438 VanDerWaalsContact C-NE2 3.29Å; A435-H438 PolarHBondContact O-NE2 3.08Å; T436-H438 VanDerWaalsContact C-N 3.33Å; T436-H438 PolarHBondContact O-N 2.72Å; H438-V440 HydrophobicContact CB-CG2 4.13Å; H438-V440 WeakPolarHBondContact ND1-CB 3.36Å; H438-V440 PolarHBondContact ND1-N 2.73Å; H438-E461 VanDerWaalsContact CA-OE1 3.25Å; H438-E461 WeakPolarHBondContact CA-OE1 2.94Å; H438-E461 HydrophobicContact CB-CB 4.43Å; H438-E461 HydrophobicContact CB-CG 4.34Å; H438-V465 HydrophobicContact CB-CG2 4.23Å; H438-V465 VanDerWaalsContact CD2-CG2 3.4Å; H438-V465 WeakPolarHBondContact CD2-CG2 3.4Å; H438-F475 AromaticContact CE1-CD1 3.67Å; H438-F475 AromaticContact CE1-CE1 3.52Å; H438-F475 AromaticContact CE1-CZ 3.8Å; H438-R478 PolarHBondContact CE1-NH2 2.91Å; H438-R478 PolarHBondContact ND1-NH2 2.81Å; H438-R478 PolarHBondContact O-NH2 2.84Å
439	T	87.5	Confident	82.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.215	C	C	.	.			trans	-79.5	-21.8	172.2	73.5	0	0	0	0	114.1	S457 E461 R478 M509 Q1157	T439-S457 PolarHBondContact OG1-OG 2.88Å; T439-E461 WeakPolarHBondContact CA-OE2 3.36Å; T439-E461 VanDerWaalsContact CB-OE2 3.29Å; T439-E461 WeakPolarHBondContact CB-OE2 3.44Å; T439-E461 VanDerWaalsContact N-CD 3.35Å; T439-E461 PolarHBondContact N-OE1 3.08Å; T439-E461 PolarHBondContact N-OE2 3.04Å; T439-E461 PolarHBondContact OG1-OE2 3.07Å; T439-R478 VanDerWaalsContact C-NH1 3.33Å; T439-R478 PolarHBondContact O-NH1 2.88Å; T439-M509 HydrophobicContact CG2-CE 3.71Å; T439-Q1157 HydrophobicContact CG2-CB 3.83Å; T439-Q1157 HydrophobicContact CG2-CG 4.03Å
440	V	88.5	Confident	81.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.			trans	-45.4	135.7	-174.4	-171	0	0	0	0	114.6	H438 Y454 Q455 A456 E461 V465 F475 R478	H438-V440 HydrophobicContact CB-CG2 4.13Å; H438-V440 WeakPolarHBondContact ND1-CB 3.36Å; H438-V440 PolarHBondContact ND1-N 2.73Å; V440-Y454 HydrophobicContact CG1-CD1 4.02Å; V440-Y454 HydrophobicContact CG1-CG 4.07Å; V440-Q455 CarbonylContact C-O 3.44Å; V440-Q455 VanDerWaalsContact CA-O 3.32Å; V440-Q455 WeakPolarHBondContact CA-O 3.23Å; V440-Q455 WeakPolarHBondContact CG1-O 3.49Å; V440-A456 HydrophobicContact CB-CB 4.46Å; V440-A456 HydrophobicContact CG1-CB 4.32Å; V440-A456 HydrophobicContact CG2-CB 3.73Å; V440-E461 HydrophobicContact CG2-CB 3.8Å; V440-V465 HydrophobicContact CB-CG2 4.2Å; V440-V465 HydrophobicContact CG1-CG1 4.48Å; V440-V465 HydrophobicContact CG2-CB 4.39Å; V440-V465 HydrophobicContact CG2-CG2 3.77Å; V440-F475 VanDerWaalsContact O-CE1 3.25Å; V440-F475 WeakPolarHBondContact O-CE1 3.12Å; V440-F475 WeakPolarHBondContact O-CZ 3.36Å; V440-R478 VanDerWaalsContact O-CZ 3.23Å; V440-R478 PolarHBondContact O-NH1 2.91Å
441	V	86.6	Confident	80.6	Confident	11 Å²	11	45.2 Å²	45.2	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.7	174.7	179.8	0	0	0	0	109.7	Q455 Y1164	V441-Q455 HydrophobicContact CB-CB 4.49Å; V441-Q455 PolarHBondContact N-O 2.85Å; V441-Q455 PolarHBondContact O-N 3.36Å; V441-Y1164 HydrophobicContact CG1-CD1 3.99Å; V441-Y1164 HydrophobicContact CG1-CG 4.26Å; V441-Y1164 HydrophobicContact CG2-CD1 4.45Å; V441-Y1164 HydrophobicContact CG2-CD2 4.25Å; V441-Y1164 HydrophobicContact CG2-CG 4.05Å
442	P	88.6	Confident	80.1	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.045	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.4	176.1	34.2	-24.8	0	0	0	110.4	L452 Y454 F475	P442-L452 HydrophobicContact CB-CD2 4.33Å; P442-Y454 HydrophobicContact CB-CD1 4.29Å; P442-Y454 HydrophobicContact CB-CE1 4.17Å; P442-F475 HydrophobicContact CB-CD1 4.32Å; P442-F475 HydrophobicContact CB-CE1 4Å; P442-F475 HydrophobicContact CB-CZ 4.44Å; P442-F475 VanDerWaalsContact CD-CZ 3.5Å; P442-F475 HydrophobicContact CG-CD1 4.38Å; P442-F475 HydrophobicContact CG-CE1 3.73Å; P442-F475 HydrophobicContact CG-CE2 4.23Å; P442-F475 HydrophobicContact CG-CZ 3.68Å
443	E	79.5	Confident	79.5	Confident	56 Å²	56	48.8 Å²	48.8	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.3	174.5	-167.1	167.4	-121.9	0	0	109.9	T453 Q455 K1170	E443-T453 PolarHBondContact N-O 3.27Å; E443-T453 PolarHBondContact O-N 2.9Å; E443-T453 PolarHBondContact O-OG1 3.19Å; E443-Q455 VanDerWaalsContact CD-NE2 3.33Å; E443-Q455 PolarHBondContact OE2-NE2 2.9Å; E443-K1170 IonicContact OE1-NZ 2.7Å; E443-K1170 PolarHBondContact OE1-NZ 2.78Å
444	K	77.2	Confident	79.1	Confident	136 Å²	136	50 Å²	50	59%	0.591	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	114	176.7	-65.8	178.8	-178.9	-179.4	0	107.8	S446 L452	K444-S446 VanDerWaalsContact C-N 3.34Å; K444-S446 PolarHBondContact O-N 2.95Å; K444-L452 HydrophobicContact CG-CD2 3.84Å
445	T	64.4	Low	78.5	Confident	94 Å²	94	50.6 Å²	50.6	58%	0.577	29%	0.286	S	S	*	.	S	Bend	trans	-66	-38.1	-172.4	-57.7	0	0	0	0	112.7	E451 T453	T445-E451 PolarHBondContact N-O 3.3Å; T445-T453 VanDerWaalsContact OG1-CG2 3.26Å; T445-T453 WeakPolarHBondContact OG1-CG2 3.41Å
446	S	62	Low	77.8	Confident	41 Å²	41	52.3 Å²	52.3	29%	0.287	30%	0.299	S	S	.	.			trans	-131.2	150	176.8	-53.1	0	0	0	0	109.5	K444 E448 D449	K444-S446 VanDerWaalsContact C-N 3.34Å; K444-S446 PolarHBondContact O-N 2.95Å; S446-E448 PolarHBondContact O-N 3.29Å; S446-D449 WeakPolarHBondContact CB-OD2 3.39Å; S446-D449 PolarHBondContact OG-OD2 2.91Å
447	A	58.3	Low	76.8	Confident	110 Å²	110	54 Å²	54	91%	0.909	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	168	0	0	0	0	0	112.7
448	E	54.6	Low	76.1	Confident	186 Å²	186	53.8 Å²	53.8	87%	0.869	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-46.7	-171.5	-56.9	-173.6	155.7	0	0	112.7	S446 G450	S446-E448 PolarHBondContact O-N 3.29Å; E448-G450 PolarHBondContact O-N 3.41Å
449	D	57.1	Low	75.5	Confident	124 Å²	124	55.6 Å²	55.6	66%	0.663	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.8	-176.9	-54.3	-66.2	0	0	0	114.3	S446 E451	S446-D449 WeakPolarHBondContact CB-OD2 3.39Å; S446-D449 PolarHBondContact OG-OD2 2.91Å; D449-E451 PolarHBondContact O-N 2.66Å; D449-E451 VanDerWaalsContact O-N 3.07Å
450	G	66.8	Low	75.5	Confident	46 Å²	46	55.6 Å²	55.6	47%	0.474	32%	0.322	S	S	.	.			trans	67.6	1.7	179.6	0	0	0	0	0	116.1	E448 L452	E448-G450 PolarHBondContact O-N 3.41Å; G450-L452 PolarHBondContact O-N 2.93Å
451	E	75.2	Confident	75.5	Confident	123 Å²	123	55.6 Å²	55.6	58%	0.575	32%	0.322	S	S	*	.			trans	-65.2	122.3	-176.6	-174.3	166.7	-154.4	0	0	112.3	T445 D449	T445-E451 PolarHBondContact N-O 3.3Å; D449-E451 PolarHBondContact O-N 2.66Å; D449-E451 VanDerWaalsContact O-N 3.07Å
452	L	82.2	Confident	75.6	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.126	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.1	174.2	-74.4	165.4	0	0	0	110.7	P442 K444 G450 K469 V474 H476	P442-L452 HydrophobicContact CB-CD2 4.33Å; K444-L452 HydrophobicContact CG-CD2 3.84Å; G450-L452 PolarHBondContact O-N 2.93Å; L452-K469 PolarHBondContact O-NZ 3.02Å; L452-V474 HydrophobicContact CD1-CG1 3.92Å; L452-H476 HydrophobicContact CD1-CB 3.7Å
453	T	83	Confident	75.7	Confident	51 Å²	51	54.8 Å²	54.8	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	154.3	166	61.3	0	0	0	0	110.6	E443 T445	E443-T453 PolarHBondContact N-O 3.27Å; E443-T453 PolarHBondContact O-N 2.9Å; E443-T453 PolarHBondContact O-OG1 3.19Å; T445-T453 VanDerWaalsContact OG1-CG2 3.26Å; T445-T453 WeakPolarHBondContact OG1-CG2 3.41Å
454	Y	86.2	Confident	76.4	Confident	28 Å²	28	52.4 Å²	52.4	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.2	-176.8	-71.1	-44.5	0	0	0	110.6	V440 P442 V465 R466 K469 F475	V440-Y454 HydrophobicContact CG1-CD1 4.02Å; V440-Y454 HydrophobicContact CG1-CG 4.07Å; P442-Y454 HydrophobicContact CB-CD1 4.29Å; P442-Y454 HydrophobicContact CB-CE1 4.17Å; Y454-V465 HydrophobicContact CD1-CG1 4.11Å; Y454-V465 HydrophobicContact CD2-CG1 3.9Å; Y454-V465 HydrophobicContact CE1-CG1 3.94Å; Y454-V465 HydrophobicContact CE2-CG1 3.7Å; Y454-V465 HydrophobicContact CG-CG1 4.12Å; Y454-R466 HydrophobicContact CD2-CG 3.97Å; Y454-K469 HydrophobicContact CE2-CB 3.99Å; Y454-K469 HydrophobicContact CE2-CD 3.58Å; Y454-K469 HydrophobicContact CE2-CG 4.36Å; Y454-F475 HydrophobicContact CD1-CD1 4.16Å; Y454-F475 HydrophobicContact CE1-CB 4.39Å; Y454-F475 AromaticContact CE1-CD1 3.7Å; Y454-F475 HydrophobicContact CE1-CD1 3.7Å; Y454-F475 HydrophobicContact CE1-CE1 4.5Å; Y454-F475 HydrophobicContact CE1-CG 4.43Å; Y454-F475 VanDerWaalsContact CE1-O 3.26Å; Y454-F475 WeakPolarHBondContact CE1-O 3.38Å; Y454-F475 PolarHBondContact OH-O 3.22Å
455	Q	80.8	Confident	77.2	Confident	18 Å²	18	46 Å²	46	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.3	170.4	-58	-169.3	4.5	0	0	108.9	N228 V440 V441 E443	N228-Q455 WeakPolarHBondContact ND2-CG 3.4Å; N228-Q455 PolarHBondContact ND2-OE1 2.97Å; V440-Q455 CarbonylContact C-O 3.44Å; V440-Q455 VanDerWaalsContact CA-O 3.32Å; V440-Q455 WeakPolarHBondContact CA-O 3.23Å; V440-Q455 WeakPolarHBondContact CG1-O 3.49Å; V441-Q455 HydrophobicContact CB-CB 4.49Å; V441-Q455 PolarHBondContact N-O 2.85Å; V441-Q455 PolarHBondContact O-N 3.36Å; E443-Q455 VanDerWaalsContact CD-NE2 3.33Å; E443-Q455 PolarHBondContact OE2-NE2 2.9Å
456	A	78.4	Confident	78.5	Confident	35 Å²	35	46.3 Å²	46.3	29%	0.289	27%	0.269	S	S	.	.			trans	-127.9	137.9	-176.9	0	0	0	0	0	110.8	V440 S458	V440-A456 HydrophobicContact CB-CB 4.46Å; V440-A456 HydrophobicContact CG1-CB 4.32Å; V440-A456 HydrophobicContact CG2-CB 3.73Å; A456-S458 WeakPolarHBondContact CB-O 3.49Å
457	S	71.5	Confident	79.8	Confident	35 Å²	35	44.5 Å²	44.5	25%	0.245	26%	0.256	C	S	.	.	S	Bend	trans	-74.5	-29.6	172.1	70.3	0	0	0	0	112.2	T439 Q1149	T439-S457 PolarHBondContact OG1-OG 2.88Å; S457-Q1149 PolarHBondContact OG-NE2 3.15Å
458	S	77.4	Confident	81.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-109.7	127	171.8	169.3	0	0	0	0	110.6	A456 D460 E461 G462 S1148	A456-S458 WeakPolarHBondContact CB-O 3.49Å; S458-D460 PolarHBondContact O-N 2.97Å; S458-D460 PolarHBondContact OG-N 2.85Å; S458-E461 PolarHBondContact O-N 3.4Å; S458-E461 PolarHBondContact OG-N 2.82Å; S458-G462 PolarHBondContact O-N 3.16Å; S458-S1148 WeakPolarHBondContact CB-O 3.42Å; S458-S1148 PolarHBondContact OG-O 2.58Å
459	P	80.7	Confident	83.2	Confident	42 Å²	42	33.6 Å²	33.6	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-58.2	-32.5	170.8	-27.7	37.3	0	0	0	113.5	M388 G462 A463	M388-P459 HydrophobicContact CB-CB 4.36Å; M388-P459 HydrophobicContact CE-CB 4.27Å; M388-P459 HydrophobicContact CG-CB 3.46Å; M388-P459 VanDerWaalsContact CG-CB 3.46Å; P459-G462 PolarHBondContact O-N 2.68Å; P459-A463 PolarHBondContact O-N 2.96Å
460	D	86	Confident	84.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-41.8	177.4	-55.5	-62.7	0	0	0	110.9	S458 A463 L464 R558 I612 F1147 S1148	S458-D460 PolarHBondContact O-N 2.97Å; S458-D460 PolarHBondContact OG-N 2.85Å; D460-A463 WeakPolarHBondContact O-CB 3.39Å; D460-A463 PolarHBondContact O-N 3.19Å; D460-L464 WeakPolarHBondContact O-CG 3.4Å; D460-L464 PolarHBondContact O-N 2.86Å; D460-R558 WeakPolarHBondContact OD1-CD 3.45Å; D460-R558 IonicContact OD1-CZ 3.63Å; D460-R558 IonicContact OD1-NE 2.8Å; D460-R558 IonicContact OD1-NH1 3.79Å; D460-R558 PolarHBondContact OD1-NH1 3.09Å; D460-R558 IonicContact OD2-NH1 3.72Å; D460-R558 PolarHBondContact OD2-NH1 2.82Å; D460-I612 HydrophobicContact CB-CD1 3.96Å; D460-F1147 HydrophobicContact CB-CD2 3.94Å; D460-F1147 HydrophobicContact CB-CE2 3.93Å; D460-S1148 WeakPolarHBondContact OD2-CB 3.4Å; D460-S1148 PolarHBondContact OD2-N 3.18Å
461	E	88.7	Confident	85.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-42.5	171.1	-69.7	-163.6	147.4	0	0	112.6	H438 T439 V440 S458 A463 L464 V465 K525 F1147	H438-E461 VanDerWaalsContact CA-OE1 3.25Å; H438-E461 WeakPolarHBondContact CA-OE1 2.94Å; H438-E461 HydrophobicContact CB-CB 4.43Å; H438-E461 HydrophobicContact CB-CG 4.34Å; T439-E461 WeakPolarHBondContact CA-OE2 3.36Å; T439-E461 VanDerWaalsContact CB-OE2 3.29Å; T439-E461 WeakPolarHBondContact CB-OE2 3.44Å; T439-E461 VanDerWaalsContact N-CD 3.35Å; T439-E461 PolarHBondContact N-OE1 3.08Å; T439-E461 PolarHBondContact N-OE2 3.04Å; T439-E461 PolarHBondContact OG1-OE2 3.07Å; V440-E461 HydrophobicContact CG2-CB 3.8Å; S458-E461 PolarHBondContact O-N 3.4Å; S458-E461 PolarHBondContact OG-N 2.82Å; E461-A463 PolarHBondContact O-N 3.43Å; E461-L464 PolarHBondContact O-N 2.77Å; E461-V465 WeakPolarHBondContact O-CG2 3.35Å; E461-V465 PolarHBondContact O-N 3Å; E461-K525 IonicContact OE1-NZ 3.08Å; E461-K525 PolarHBondContact OE1-NZ 3.2Å; E461-F1147 HydrophobicContact CG-CE2 4.25Å; E461-F1147 HydrophobicContact CG-CZ 3.92Å
462	G	89.2	Confident	86.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-37.8	175.2	0	0	0	0	0	112.2	S458 P459 R466	S458-G462 PolarHBondContact O-N 3.16Å; P459-G462 PolarHBondContact O-N 2.68Å; G462-R466 WeakPolarHBondContact O-CB 3.32Å; G462-R466 VanDerWaalsContact O-CG 3.24Å; G462-R466 WeakPolarHBondContact O-CG 3.39Å; G462-R466 PolarHBondContact O-N 2.95Å; G462-R466 PolarHBondContact O-NE 2.73Å
463	A	91.1	Very high	86.8	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-43.7	174.3	0	0	0	0	0	112.6	M388 P459 D460 E461 R466 G467 I612	M388-A463 HydrophobicContact CB-CB 3.75Å; M388-A463 WeakPolarHBondContact O-CB 3.32Å; P459-A463 PolarHBondContact O-N 2.96Å; D460-A463 WeakPolarHBondContact O-CB 3.39Å; D460-A463 PolarHBondContact O-N 3.19Å; E461-A463 PolarHBondContact O-N 3.43Å; A463-R466 PolarHBondContact O-N 3.11Å; A463-G467 PolarHBondContact O-N 2.62Å; A463-I612 HydrophobicContact CB-CG2 4.01Å
464	L	93.5	Very high	87.3	Confident	5 Å²	5	27 Å²	27	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-45.9	177.7	-68.5	173.7	0	0	0	112.4	F390 M434 D460 E461 G467 A468 L560 M562 T610 I612	F390-L464 HydrophobicContact CD2-CD2 4.18Å; M434-L464 HydrophobicContact CE-CB 4.46Å; M434-L464 HydrophobicContact CE-CD2 4.08Å; M434-L464 VanDerWaalsContact CE-O 3.27Å; M434-L464 WeakPolarHBondContact CE-O 3.45Å; M434-L464 HydrophobicContact CG-CD2 4.44Å; D460-L464 WeakPolarHBondContact O-CG 3.4Å; D460-L464 PolarHBondContact O-N 2.86Å; E461-L464 PolarHBondContact O-N 2.77Å; L464-G467 PolarHBondContact O-N 3.35Å; L464-A468 PolarHBondContact O-N 2.94Å; L464-L560 HydrophobicContact CD1-CD1 4.06Å; L464-M562 HydrophobicContact CD1-CE 3.79Å; L464-M562 HydrophobicContact CD2-CE 4.09Å; L464-T610 HydrophobicContact CD2-CG2 3.73Å; L464-I612 HydrophobicContact CD2-CD1 4.05Å; L464-I612 HydrophobicContact CD2-CG1 4.49Å; L464-I612 HydrophobicContact CG-CD1 4.01Å
465	V	93.4	Very high	87.6	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-70.7	-34.9	-179.7	-179.9	0	0	0	0	111.3	H438 V440 Y454 E461 A468 K469 F475	H438-V465 HydrophobicContact CB-CG2 4.23Å; H438-V465 VanDerWaalsContact CD2-CG2 3.4Å; H438-V465 WeakPolarHBondContact CD2-CG2 3.4Å; V440-V465 HydrophobicContact CB-CG2 4.2Å; V440-V465 HydrophobicContact CG1-CG1 4.48Å; V440-V465 HydrophobicContact CG2-CB 4.39Å; V440-V465 HydrophobicContact CG2-CG2 3.77Å; Y454-V465 HydrophobicContact CD1-CG1 4.11Å; Y454-V465 HydrophobicContact CD2-CG1 3.9Å; Y454-V465 HydrophobicContact CE1-CG1 3.94Å; Y454-V465 HydrophobicContact CE2-CG1 3.7Å; Y454-V465 HydrophobicContact CG-CG1 4.12Å; E461-V465 WeakPolarHBondContact O-CG2 3.35Å; E461-V465 PolarHBondContact O-N 3Å; V465-A468 PolarHBondContact O-N 3.43Å; V465-K469 PolarHBondContact O-N 3.44Å; V465-F475 HydrophobicContact CG1-CB 4.2Å; V465-F475 HydrophobicContact CG1-CD1 4.01Å
466	R	91.8	Very high	88	Confident	102 Å²	102	26.7 Å²	26.7	39%	0.385	14%	0.139	S	C	.	.	H	α-helix	trans	-63.5	-44.7	169.7	-76	-174.8	-62.4	-105.2	4.5	112.1	M388 Y454 G462 A463 A468 K469 E470	M388-R466 PolarHBondContact O-NH2 3.11Å; M388-R466 VanDerWaalsContact O-NH2 3.16Å; Y454-R466 HydrophobicContact CD2-CG 3.97Å; G462-R466 WeakPolarHBondContact O-CB 3.32Å; G462-R466 VanDerWaalsContact O-CG 3.24Å; G462-R466 WeakPolarHBondContact O-CG 3.39Å; G462-R466 PolarHBondContact O-N 2.95Å; G462-R466 PolarHBondContact O-NE 2.73Å; A463-R466 PolarHBondContact O-N 3.11Å; R466-A468 VanDerWaalsContact C-N 3.29Å; R466-A468 PolarHBondContact O-N 2.86Å; R466-K469 WeakPolarHBondContact O-CB 3.41Å; R466-K469 PolarHBondContact O-N 3.28Å; R466-K469 VanDerWaalsContact O-N 3.13Å; R466-E470 PolarHBondContact O-N 3.44Å
467	G	91	Very high	88.6	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-32.9	175.9	0	0	0	0	0	113.4	A463 L464 L471	A463-G467 PolarHBondContact O-N 2.62Å; L464-G467 PolarHBondContact O-N 3.35Å; G467-L471 WeakPolarHBondContact O-CG 3.38Å; G467-L471 PolarHBondContact O-N 2.72Å
468	A	92.3	Very high	89.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.3	-41.6	171.1	0	0	0	0	0	112.3	M434 A435 L464 V465 R466 E470 L471 D472 F473	M434-A468 HydrophobicContact CB-CB 4.18Å; A435-A468 HydrophobicContact CB-CB 4.09Å; L464-A468 PolarHBondContact O-N 2.94Å; V465-A468 PolarHBondContact O-N 3.43Å; R466-A468 VanDerWaalsContact C-N 3.29Å; R466-A468 PolarHBondContact O-N 2.86Å; A468-E470 PolarHBondContact O-N 3.35Å; A468-L471 CarbonylContact O-C 3.58Å; A468-L471 PolarHBondContact O-N 3.05Å; A468-L471 VanDerWaalsContact O-N 3.09Å; A468-D472 PolarHBondContact O-N 3.04Å; A468-F473 CarbonylContact C-O 3.58Å; A468-F473 HydrophobicContact CB-CB 4.19Å; A468-F473 CarbonylContact O-C 3.51Å; A468-F473 WeakPolarHBondContact O-CA 3.43Å; A468-F473 PolarHBondContact O-N 3.28Å
469	K	90.6	Very high	90	Very high	67 Å²	67	26.3 Å²	26.3	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-61	-40.1	173.6	178	-178.3	174.9	-171.2	0	112.1	L452 Y454 V465 R466 L471 D472 V474	L452-K469 PolarHBondContact O-NZ 3.02Å; Y454-K469 HydrophobicContact CE2-CB 3.99Å; Y454-K469 HydrophobicContact CE2-CD 3.58Å; Y454-K469 HydrophobicContact CE2-CG 4.36Å; V465-K469 PolarHBondContact O-N 3.44Å; R466-K469 WeakPolarHBondContact O-CB 3.41Å; R466-K469 PolarHBondContact O-N 3.28Å; R466-K469 VanDerWaalsContact O-N 3.13Å; K469-L471 PolarHBondContact O-N 3.39Å; K469-D472 PolarHBondContact O-N 3.32Å; K469-V474 HydrophobicContact CG-CG1 4.38Å; K469-V474 HydrophobicContact CG-CG2 4.31Å
470	E	87.6	Confident	90.2	Very high	93 Å²	93	26.2 Å²	26.2	44%	0.435	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.4	175.3	-71.2	-174.6	142.3	0	0	113.6	R407 R466 A468	R407-E470 WeakPolarHBondContact CD-OE1 3.45Å; R407-E470 IonicContact CZ-OE1 3Å; R407-E470 IonicContact NH1-OE1 2.7Å; R407-E470 PolarHBondContact NH1-OE1 3.45Å; R466-E470 PolarHBondContact O-N 3.44Å; A468-E470 PolarHBondContact O-N 3.35Å
471	L	88.9	Confident	90.4	Very high	8 Å²	8	33 Å²	33	4%	0.042	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	20.6	178.1	-67.3	174.1	0	0	0	113.6	F390 F408 L413 L414 L431 G467 A468 K469 F473	F390-L471 HydrophobicContact CE1-CD1 4.46Å; F408-L471 HydrophobicContact CD1-CD1 4.36Å; F408-L471 HydrophobicContact CD1-CD2 4.13Å; F408-L471 HydrophobicContact CE1-CD1 4.16Å; F408-L471 HydrophobicContact CE1-CD2 3.99Å; L413-L471 HydrophobicContact CD1-CD1 4.41Å; L413-L471 HydrophobicContact CD2-CD1 4.43Å; L414-L471 HydrophobicContact CD1-CD2 4.12Å; L414-L471 HydrophobicContact CD2-CB 4.38Å; L414-L471 HydrophobicContact CD2-CD2 4.19Å; L414-L471 HydrophobicContact CG-CD2 4.03Å; L431-L471 HydrophobicContact CD2-CD1 3.7Å; G467-L471 WeakPolarHBondContact O-CG 3.38Å; G467-L471 PolarHBondContact O-N 2.72Å; A468-L471 CarbonylContact O-C 3.58Å; A468-L471 PolarHBondContact O-N 3.05Å; A468-L471 VanDerWaalsContact O-N 3.09Å; K469-L471 PolarHBondContact O-N 3.39Å; L471-F473 VanDerWaalsContact C-N 3.35Å; L471-F473 VanDerWaalsContact O-CD2 3.31Å; L471-F473 WeakPolarHBondContact O-CD2 3.42Å; L471-F473 PolarHBondContact O-N 3.22Å
472	D	88.6	Confident	90.5	Very high	95 Å²	95	33.3 Å²	33.3	51%	0.508	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	30.2	-177.6	-67.6	-40.3	0	0	0	115.3	A468 K469 L488	A468-D472 PolarHBondContact O-N 3.04Å; K469-D472 PolarHBondContact O-N 3.32Å; D472-L488 HydrophobicContact CB-CD2 3.83Å; D472-L488 PolarHBondContact O-N 3.28Å
473	F	92	Very high	90.7	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	74.3	167.6	-74.2	-108.9	0	0	0	109.3	L417 R428 L431 I432 A435 A468 L471 F475 S486 V487 L488	L417-F473 HydrophobicContact CD2-CE2 3.92Å; L417-F473 HydrophobicContact CD2-CZ 4.04Å; R428-F473 HydrophobicContact CG-CE1 4.3Å; R428-F473 HydrophobicContact CG-CZ 4.35Å; L431-F473 HydrophobicContact CB-CD1 3.73Å; L431-F473 HydrophobicContact CB-CD2 3.85Å; L431-F473 HydrophobicContact CB-CE1 3.82Å; L431-F473 HydrophobicContact CB-CE2 3.96Å; L431-F473 HydrophobicContact CB-CG 3.76Å; L431-F473 HydrophobicContact CB-CZ 3.94Å; L431-F473 HydrophobicContact CD1-CD2 3.65Å; L431-F473 HydrophobicContact CD1-CE2 3.33Å; L431-F473 HydrophobicContact CD1-CG 4.42Å; L431-F473 HydrophobicContact CD1-CZ 3.85Å; L431-F473 HydrophobicContact CG-CD2 4.34Å; L431-F473 HydrophobicContact CG-CE2 4.29Å; I432-F473 HydrophobicContact CD1-CE1 4.4Å; I432-F473 HydrophobicContact CG1-CD1 3.94Å; I432-F473 HydrophobicContact CG1-CE1 3.77Å; A435-F473 HydrophobicContact CB-CB 4.43Å; A468-F473 CarbonylContact C-O 3.58Å; A468-F473 HydrophobicContact CB-CB 4.19Å; A468-F473 CarbonylContact O-C 3.51Å; A468-F473 WeakPolarHBondContact O-CA 3.43Å; A468-F473 PolarHBondContact O-N 3.28Å; L471-F473 VanDerWaalsContact C-N 3.35Å; L471-F473 VanDerWaalsContact O-CD2 3.31Å; L471-F473 WeakPolarHBondContact O-CD2 3.42Å; L471-F473 PolarHBondContact O-N 3.22Å; F473-F475 PolarHBondContact O-N 3.47Å; F473-S486 CarbonylContact C-O 3.57Å; F473-S486 WeakPolarHBondContact CA-O 3.23Å; F473-V487 HydrophobicContact CD1-CB 4.45Å; F473-V487 HydrophobicContact CD1-CG1 4.1Å; F473-V487 HydrophobicContact CD1-CG2 3.94Å; F473-V487 HydrophobicContact CE1-CB 4.35Å; F473-V487 HydrophobicContact CE1-CG1 3.53Å; F473-V487 HydrophobicContact CE1-CG2 4.1Å; F473-V487 HydrophobicContact CZ-CG1 3.88Å; F473-L488 HydrophobicContact CE2-CD2 4.13Å; F473-L488 HydrophobicContact CE2-CG 4.47Å
474	V	92.8	Very high	90.7	Very high	34 Å²	34	34.6 Å²	34.6	21%	0.206	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.4	-167.7	-173.4	0	0	0	0	111.4	L452 K469 H476 I485 S486	L452-V474 HydrophobicContact CD1-CG1 3.92Å; K469-V474 HydrophobicContact CG-CG1 4.38Å; K469-V474 HydrophobicContact CG-CG2 4.31Å; V474-H476 PolarHBondContact O-N 3.1Å; V474-I485 CarbonylContact O-C 3.58Å; V474-I485 WeakPolarHBondContact O-CA 3.34Å; V474-S486 PolarHBondContact N-O 3.04Å; V474-S486 PolarHBondContact O-N 3.3Å
475	F	92.6	Very high	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.1	165.3	169	-124.2	0	0	0	110.2	H438 V440 P442 Y454 V465 F473 R478 I483 I485	H438-F475 AromaticContact CE1-CD1 3.67Å; H438-F475 AromaticContact CE1-CE1 3.52Å; H438-F475 AromaticContact CE1-CZ 3.8Å; V440-F475 VanDerWaalsContact O-CE1 3.25Å; V440-F475 WeakPolarHBondContact O-CE1 3.12Å; V440-F475 WeakPolarHBondContact O-CZ 3.36Å; P442-F475 HydrophobicContact CB-CD1 4.32Å; P442-F475 HydrophobicContact CB-CE1 4Å; P442-F475 HydrophobicContact CB-CZ 4.44Å; P442-F475 VanDerWaalsContact CD-CZ 3.5Å; P442-F475 HydrophobicContact CG-CD1 4.38Å; P442-F475 HydrophobicContact CG-CE1 3.73Å; P442-F475 HydrophobicContact CG-CE2 4.23Å; P442-F475 HydrophobicContact CG-CZ 3.68Å; Y454-F475 HydrophobicContact CD1-CD1 4.16Å; Y454-F475 HydrophobicContact CE1-CB 4.39Å; Y454-F475 AromaticContact CE1-CD1 3.7Å; Y454-F475 HydrophobicContact CE1-CD1 3.7Å; Y454-F475 HydrophobicContact CE1-CE1 4.5Å; Y454-F475 HydrophobicContact CE1-CG 4.43Å; Y454-F475 VanDerWaalsContact CE1-O 3.26Å; Y454-F475 WeakPolarHBondContact CE1-O 3.38Å; Y454-F475 PolarHBondContact OH-O 3.22Å; V465-F475 HydrophobicContact CG1-CB 4.2Å; V465-F475 HydrophobicContact CG1-CD1 4.01Å; F473-F475 PolarHBondContact O-N 3.47Å; F475-R478 HydrophobicContact CE2-CB 4.07Å; F475-R478 HydrophobicContact CZ-CB 3.9Å; F475-I483 HydrophobicContact CD2-CG2 3.77Å; F475-I483 HydrophobicContact CE2-CB 4.48Å; F475-I483 HydrophobicContact CE2-CG1 4.32Å; F475-I483 HydrophobicContact CE2-CG2 3.77Å; F475-I485 HydrophobicContact CB-CG2 4.16Å; F475-I485 HydrophobicContact CD2-CG2 4.36Å
476	H	90	Very high	90.7	Very high	38 Å²	38	35.3 Å²	35.3	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-18	-170.8	67.5	87.4	0	0	0	115.1	L452 V474 C484 D491	L452-H476 HydrophobicContact CD1-CB 3.7Å; V474-H476 PolarHBondContact O-N 3.1Å; H476-C484 PolarHBondContact CD2-O 2.93Å; H476-C484 VanDerWaalsContact CE1-CB 3.44Å; H476-C484 WeakPolarHBondContact CE1-CB 3.28Å; H476-C484 PolarHBondContact N-O 3.01Å; H476-C484 WeakPolarHBondContact NE2-CB 3.5Å; H476-D491 IonicContact NE2-OD1 2.89Å; H476-D491 IonicContact NE2-OD2 3.81Å
477	T	89.9	Confident	90.6	Very high	27 Å²	27	30.9 Å²	30.9	17%	0.166	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	135.2	-178.6	-61.5	0	0	0	0	110.6	C484 T1167	T477-C484 PolarHBondContact O-N 3.14Å; T477-T1167 HydrophobicContact CG2-CG2 3.75Å
478	R	89.9	Confident	90.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.2	169.9	175.1	169.3	-72.3	-177	-4.7	110.5	H438 T439 V440 F475 S482 S1166	H438-R478 PolarHBondContact CE1-NH2 2.91Å; H438-R478 PolarHBondContact ND1-NH2 2.81Å; H438-R478 PolarHBondContact O-NH2 2.84Å; T439-R478 VanDerWaalsContact C-NH1 3.33Å; T439-R478 PolarHBondContact O-NH1 2.88Å; V440-R478 VanDerWaalsContact O-CZ 3.23Å; V440-R478 PolarHBondContact O-NH1 2.91Å; F475-R478 HydrophobicContact CE2-CB 4.07Å; F475-R478 HydrophobicContact CZ-CB 3.9Å; R478-S482 WeakPolarHBondContact CA-O 3.41Å; R478-S1166 PolarHBondContact N-OG 2.97Å; R478-S1166 PolarHBondContact O-N 3.14Å; R478-S1166 PolarHBondContact O-OG 3.26Å
479	T	88.7	Confident	89.9	Confident	34 Å²	34	38.5 Å²	38.5	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	167.9	163.9	72.7	0	0	0	0	108.6	E481 S482 Y1164 T1167	T479-E481 PolarHBondContact O-N 3.36Å; T479-S482 PolarHBondContact N-O 3.22Å; T479-S482 PolarHBondContact O-N 3.49Å; T479-S482 PolarHBondContact OG1-N 2.9Å; T479-S482 PolarHBondContact OG1-OG 3.46Å; T479-Y1164 CarbonylContact C-O 3.5Å; T479-T1167 HydrophobicContact CG2-CG2 4.18Å
480	P	85.9	Confident	89.9	Confident	39 Å²	39	44.5 Å²	44.5	25%	0.253	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.1	179	-33.7	40.7	0	0	0	116	R1162 Y1164	P480-R1162 VanDerWaalsContact CB-O 3.3Å; P480-R1162 WeakPolarHBondContact CB-O 3.14Å; P480-R1162 WeakPolarHBondContact CG-O 3.32Å; P480-R1162 WeakPolarHBondContact O-CD 3.49Å; P480-R1162 PolarHBondContact O-NH1 3.15Å; P480-Y1164 WeakPolarHBondContact CD-O 3.39Å
481	E	89.2	Confident	90.1	Very high	145 Å²	145	45.6 Å²	45.6	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-5.7	-175.3	-63.8	-179.4	170.3	0	0	113.6	T479 D495 V496	T479-E481 PolarHBondContact O-N 3.36Å; E481-D495 CarbonylContact O-C 3.21Å; E481-D495 WeakPolarHBondContact O-CA 3.35Å; E481-V496 PolarHBondContact O-N 2.81Å
482	S	91.6	Very high	90.3	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.3	-175.7	62.4	0	0	0	0	115.6	R478 T479 K493 Y494	R478-S482 WeakPolarHBondContact CA-O 3.41Å; T479-S482 PolarHBondContact N-O 3.22Å; T479-S482 PolarHBondContact O-N 3.49Å; T479-S482 PolarHBondContact OG1-N 2.9Å; T479-S482 PolarHBondContact OG1-OG 3.46Å; S482-K493 VanDerWaalsContact OG-CE 3.24Å; S482-K493 WeakPolarHBondContact OG-CE 3.41Å; S482-Y494 CarbonylContact C-O 3.59Å; S482-Y494 VanDerWaalsContact CA-O 3.3Å; S482-Y494 WeakPolarHBondContact CA-O 3.31Å; S482-Y494 WeakPolarHBondContact CB-O 3.42Å
483	I	92.2	Very high	90.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.9	177	-72.6	168.6	0	0	0	107.9	T436 F475 I485 Y494 V496	T436-I483 HydrophobicContact CG2-CG2 4.22Å; F475-I483 HydrophobicContact CD2-CG2 3.77Å; F475-I483 HydrophobicContact CE2-CB 4.48Å; F475-I483 HydrophobicContact CE2-CG1 4.32Å; F475-I483 HydrophobicContact CE2-CG2 3.77Å; I483-I485 HydrophobicContact CG2-CG2 3.95Å; I483-Y494 PolarHBondContact N-O 2.72Å; I483-Y494 PolarHBondContact O-N 3.05Å; I483-V496 HydrophobicContact CB-CG2 4.44Å; I483-V496 HydrophobicContact CD1-CG2 3.56Å; I483-V496 HydrophobicContact CG1-CG2 3.75Å
484	C	92.6	Very high	90.7	Very high	27 Å²	27	47.8 Å²	47.8	18%	0.182	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128	169.7	-56.9	0	0	0	0	109.9	H476 T477	H476-C484 PolarHBondContact CD2-O 2.93Å; H476-C484 VanDerWaalsContact CE1-CB 3.44Å; H476-C484 WeakPolarHBondContact CE1-CB 3.28Å; H476-C484 PolarHBondContact N-O 3.01Å; H476-C484 WeakPolarHBondContact NE2-CB 3.5Å; T477-C484 PolarHBondContact O-N 3.14Å
485	I	92.9	Very high	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.3	175.4	56.6	169.9	0	0	0	109.6	I432 A435 T436 V474 F475 I483 V487 D491 E492 Y494	I432-I485 HydrophobicContact CB-CD1 4.42Å; I432-I485 HydrophobicContact CG1-CD1 4.01Å; I432-I485 HydrophobicContact CG2-CD1 4.04Å; A435-I485 HydrophobicContact CB-CG2 3.98Å; A435-I485 VanDerWaalsContact O-CG2 3.24Å; A435-I485 WeakPolarHBondContact O-CG2 3.33Å; T436-I485 HydrophobicContact CG2-CD1 4.14Å; T436-I485 HydrophobicContact CG2-CG2 4.3Å; V474-I485 CarbonylContact O-C 3.58Å; V474-I485 WeakPolarHBondContact O-CA 3.34Å; F475-I485 HydrophobicContact CB-CG2 4.16Å; F475-I485 HydrophobicContact CD2-CG2 4.36Å; I483-I485 HydrophobicContact CG2-CG2 3.95Å; I485-V487 HydrophobicContact CD1-CG2 3.65Å; I485-V487 HydrophobicContact CG1-CG2 3.9Å; I485-D491 CarbonylContact O-C 3.53Å; I485-D491 WeakPolarHBondContact O-CA 3.46Å; I485-E492 HydrophobicContact CG1-CB 4.3Å; I485-E492 PolarHBondContact N-O 3.11Å; I485-E492 PolarHBondContact O-N 2.9Å; I485-Y494 HydrophobicContact CD1-CD2 4.1Å; I485-Y494 HydrophobicContact CD1-CE2 3.66Å; I485-Y494 HydrophobicContact CG1-CD2 4.01Å; I485-Y494 HydrophobicContact CG1-CE2 3.84Å
486	S	92.7	Very high	90.7	Very high	21 Å²	21	48.9 Å²	48.9	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.4	170	-150.8	0	0	0	0	108.7	F473 V474 R490 D491	F473-S486 CarbonylContact C-O 3.57Å; F473-S486 WeakPolarHBondContact CA-O 3.23Å; V474-S486 PolarHBondContact N-O 3.04Å; V474-S486 PolarHBondContact O-N 3.3Å; S486-R490 PolarHBondContact OG-N 2.63Å; S486-D491 WeakPolarHBondContact CB-OD1 3.33Å; S486-D491 PolarHBondContact OG-OD1 2.62Å
487	V	89.7	Confident	90.9	Very high	8 Å²	8	48.5 Å²	48.5	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.6	-178.2	175.1	0	0	0	0	108.5	I432 F473 I485 G489 R490	I432-V487 HydrophobicContact CG1-CG2 4.45Å; F473-V487 HydrophobicContact CD1-CB 4.45Å; F473-V487 HydrophobicContact CD1-CG1 4.1Å; F473-V487 HydrophobicContact CD1-CG2 3.94Å; F473-V487 HydrophobicContact CE1-CB 4.35Å; F473-V487 HydrophobicContact CE1-CG1 3.53Å; F473-V487 HydrophobicContact CE1-CG2 4.1Å; F473-V487 HydrophobicContact CZ-CG1 3.88Å; I485-V487 HydrophobicContact CD1-CG2 3.65Å; I485-V487 HydrophobicContact CG1-CG2 3.9Å; V487-G489 PolarHBondContact O-N 3.19Å; V487-R490 PolarHBondContact N-O 2.87Å; V487-R490 PolarHBondContact O-N 3.29Å; V487-R490 VanDerWaalsContact O-N 3.09Å
488	L	86	Confident	91	Very high	96 Å²	96	47.9 Å²	47.9	50%	0.503	25%	0.253	S	S	.	.	S	Bend	trans	52.1	43	-176.4	-50.7	178.7	0	0	0	112.1	L417 D472 F473	L417-L488 HydrophobicContact CD2-CD1 4.24Å; L417-L488 HydrophobicContact CD2-CD2 4.48Å; D472-L488 HydrophobicContact CB-CD2 3.83Å; D472-L488 PolarHBondContact O-N 3.28Å; F473-L488 HydrophobicContact CE2-CD2 4.13Å; F473-L488 HydrophobicContact CE2-CG 4.47Å
489	G	84	Confident	91	Very high	66 Å²	66	48.6 Å²	48.6	68%	0.68	26%	0.257	S	S	*	.	S	Bend	trans	75.7	22.5	-177.9	0	0	0	0	0	115.4	V487	V487-G489 PolarHBondContact O-N 3.19Å
490	R	90.6	Very high	91.2	Very high	194 Å²	194	47.4 Å²	47.4	73%	0.732	25%	0.25	S	C	*	.			trans	-128.1	120.5	173.7	-62.9	-176.4	178.6	-163.2	-2.3	111.3	S486 V487 E492	S486-R490 PolarHBondContact OG-N 2.63Å; V487-R490 PolarHBondContact N-O 2.87Å; V487-R490 PolarHBondContact O-N 3.29Å; V487-R490 VanDerWaalsContact O-N 3.09Å; R490-E492 PolarHBondContact O-N 3.48Å
491	D	91.4	Very high	91.2	Very high	115 Å²	115	47.3 Å²	47.3	62%	0.615	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.6	-176.8	-60.9	-4.5	0	0	0	111.4	H476 I485 S486	H476-D491 IonicContact NE2-OD1 2.89Å; H476-D491 IonicContact NE2-OD2 3.81Å; I485-D491 CarbonylContact O-C 3.53Å; I485-D491 WeakPolarHBondContact O-CA 3.46Å; S486-D491 WeakPolarHBondContact CB-OD1 3.33Å; S486-D491 PolarHBondContact OG-OD1 2.62Å
492	E	93.4	Very high	91.1	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.187	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.7	175.8	-72.8	-178.6	-156.7	0	0	109.8	R428 I485 R490 Y494 P516	R428-E492 IonicContact CZ-OE1 2.73Å; R428-E492 IonicContact CZ-OE2 2.58Å; R428-E492 IonicContact NH2-OE1 3.11Å; R428-E492 PolarHBondContact NH2-OE1 3.24Å; R428-E492 IonicContact NH2-OE2 2.68Å; R428-E492 PolarHBondContact NH2-OE2 2.62Å; I485-E492 HydrophobicContact CG1-CB 4.3Å; I485-E492 PolarHBondContact N-O 3.11Å; I485-E492 PolarHBondContact O-N 2.9Å; R490-E492 PolarHBondContact O-N 3.48Å; E492-Y494 HydrophobicContact CB-CD2 4.32Å; E492-Y494 HydrophobicContact CB-CE2 3.62Å; E492-Y494 PolarHBondContact OE2-OH 2.79Å; E492-P516 HydrophobicContact CB-CG 3.86Å; E492-P516 HydrophobicContact CG-CG 4.19Å
493	K	93.8	Very high	90.6	Very high	106 Å²	106	42.7 Å²	42.7	46%	0.461	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.3	175.9	-175.5	174.7	-173.2	-80.3	0	110.8	S482 D495 P516	S482-K493 VanDerWaalsContact OG-CE 3.24Å; S482-K493 WeakPolarHBondContact OG-CE 3.41Å; K493-D495 IonicContact NZ-OD1 2.71Å; K493-D495 PolarHBondContact NZ-OD1 3.29Å; K493-P516 WeakPolarHBondContact O-CD 3.19Å; K493-P516 WeakPolarHBondContact O-CG 3.41Å
494	Y	94	Very high	89.8	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.1	174.3	-71.2	-101	0	0	0	108.9	I432 T436 S482 I483 I485 E492 V513 R514 A515 P516	I432-Y494 HydrophobicContact CG2-CE1 4.14Å; I432-Y494 HydrophobicContact CG2-CE2 4.49Å; T436-Y494 HydrophobicContact CG2-CD2 4.41Å; T436-Y494 HydrophobicContact CG2-CG 4.33Å; S482-Y494 CarbonylContact C-O 3.59Å; S482-Y494 VanDerWaalsContact CA-O 3.3Å; S482-Y494 WeakPolarHBondContact CA-O 3.31Å; S482-Y494 WeakPolarHBondContact CB-O 3.42Å; I483-Y494 PolarHBondContact N-O 2.72Å; I483-Y494 PolarHBondContact O-N 3.05Å; I485-Y494 HydrophobicContact CD1-CD2 4.1Å; I485-Y494 HydrophobicContact CD1-CE2 3.66Å; I485-Y494 HydrophobicContact CG1-CD2 4.01Å; I485-Y494 HydrophobicContact CG1-CE2 3.84Å; E492-Y494 HydrophobicContact CB-CD2 4.32Å; E492-Y494 HydrophobicContact CB-CE2 3.62Å; E492-Y494 PolarHBondContact OE2-OH 2.79Å; Y494-V513 HydrophobicContact CD1-CB 4.43Å; Y494-V513 HydrophobicContact CD1-CG2 4.05Å; Y494-R514 WeakPolarHBondContact CA-O 3.32Å; Y494-A515 HydrophobicContact CD1-CB 4.04Å; Y494-A515 HydrophobicContact CE1-CB 3.63Å; Y494-P516 HydrophobicContact CE2-CG 4.06Å; Y494-P516 VanDerWaalsContact CZ-CD 3.45Å
495	D	94.3	Very high	89.1	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127	178	-52.6	-44.2	0	0	0	109.6	E481 K493 L497 V513 R514	E481-D495 CarbonylContact O-C 3.21Å; E481-D495 WeakPolarHBondContact O-CA 3.35Å; K493-D495 IonicContact NZ-OD1 2.71Å; K493-D495 PolarHBondContact NZ-OD1 3.29Å; D495-L497 HydrophobicContact CB-CD2 4.45Å; D495-L497 PolarHBondContact O-N 3.36Å; D495-V513 CarbonylContact O-C 3.59Å; D495-V513 VanDerWaalsContact O-CA 3.23Å; D495-V513 WeakPolarHBondContact O-CA 3.45Å; D495-R514 HydrophobicContact CB-CB 4.12Å; D495-R514 PolarHBondContact N-O 3.46Å; D495-R514 PolarHBondContact O-N 3.5Å
496	V	92.7	Very high	88.9	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	103	-177.4	-179.1	0	0	0	0	108.6	E481 I483 V499 V511 I1161 R1162	E481-V496 PolarHBondContact O-N 2.81Å; I483-V496 HydrophobicContact CB-CG2 4.44Å; I483-V496 HydrophobicContact CD1-CG2 3.56Å; I483-V496 HydrophobicContact CG1-CG2 3.75Å; V496-V499 HydrophobicContact CG1-CG2 3.89Å; V496-V511 HydrophobicContact CG1-CG1 4.15Å; V496-I1161 HydrophobicContact CG1-CG2 4.49Å; V496-R1162 PolarHBondContact O-NH1 2.71Å
497	L	92.9	Very high	88.6	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.152	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-69.6	-175.8	-54.3	-172.9	0	0	0	110	D495 I512 R514 I520 Y572 R1162	D495-L497 HydrophobicContact CB-CD2 4.45Å; D495-L497 PolarHBondContact O-N 3.36Å; L497-I512 HydrophobicContact CB-CB 4.45Å; L497-I512 HydrophobicContact CB-CG2 4.23Å; L497-I512 WeakPolarHBondContact CB-O 3.49Å; L497-I512 HydrophobicContact CD1-CG2 4.24Å; L497-I512 PolarHBondContact N-O 3.13Å; L497-R514 HydrophobicContact CD1-CB 4.3Å; L497-R514 HydrophobicContact CD2-CB 4.23Å; L497-R514 HydrophobicContact CG-CB 4.38Å; L497-I520 HydrophobicContact CD1-CD1 3.86Å; L497-I520 HydrophobicContact CD1-CG1 4.01Å; L497-I520 HydrophobicContact CD1-CG2 3.9Å; L497-Y572 HydrophobicContact CB-CE1 4.48Å; L497-Y572 HydrophobicContact CB-CE2 4.28Å; L497-Y572 WeakPolarHBondContact CB-OH 3.41Å; L497-Y572 HydrophobicContact CD1-CD1 4.36Å; L497-Y572 HydrophobicContact CD1-CE1 3.99Å; L497-Y572 HydrophobicContact CD1-CE2 4.32Å; L497-R1162 PolarHBondContact O-NH2 3.13Å
498	N	92.1	Very high	88.7	Confident	15 Å²	15	52.8 Å²	52.8	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.3	173.3	-71.8	23.9	0	0	0	110.8	I512 Y572 W575 N576 H579	N498-I512 HydrophobicContact CB-CD1 4.38Å; N498-I512 PolarHBondContact O-N 3.25Å; N498-Y572 PolarHBondContact OD1-OH 3.09Å; N498-W575 HydrophobicContact CB-CH2 4.09Å; N498-W575 HydrophobicContact CB-CZ3 4.01Å; N498-W575 VanDerWaalsContact ND2-CZ3 3.31Å; N498-W575 WeakPolarHBondContact ND2-CZ3 3.39Å; N498-N576 PolarHBondContact ND2-OD1 3.08Å; N498-N576 PolarHBondContact OD1-OD1 3.41Å; N498-H579 PolarHBondContact ND2-ND1 2.76Å
499	V	90.7	Very high	89	Confident	16 Å²	16	48.2 Å²	48.2	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	139.9	172.7	179.2	0	0	0	0	107.8	V496 M509 V511 A1158 I1161	V496-V499 HydrophobicContact CG1-CG2 3.89Å; V499-M509 HydrophobicContact CG1-CE 3.89Å; V499-V511 HydrophobicContact CG1-CG2 4.42Å; V499-V511 HydrophobicContact CG2-CG1 4.33Å; V499-V511 HydrophobicContact CG2-CG2 4.48Å; V499-A1158 HydrophobicContact CB-CB 4.48Å; V499-I1161 HydrophobicContact CB-CD1 4.43Å; V499-I1161 HydrophobicContact CG1-CD1 3.97Å; V499-I1161 HydrophobicContact CG2-CD1 3.79Å; V499-I1161 HydrophobicContact CG2-CG2 4.5Å
500	L	91.6	Very high	89.5	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	87.6	177.7	-60.8	176.6	0	0	0	108.9	R506 S510 W575 A597 I600 E601	L500-R506 PolarHBondContact O-NH1 3.42Å; L500-S510 PolarHBondContact N-O 3.23Å; L500-S510 PolarHBondContact O-N 2.98Å; L500-S510 VanDerWaalsContact O-N 3.16Å; L500-W575 HydrophobicContact CD1-CH2 4.45Å; L500-W575 HydrophobicContact CD1-CZ2 4.16Å; L500-W575 HydrophobicContact CD2-CH2 4.05Å; L500-W575 HydrophobicContact CD2-CZ2 4.04Å; L500-A597 HydrophobicContact CD1-CB 4Å; L500-A597 HydrophobicContact CD2-CB 4.18Å; L500-I600 HydrophobicContact CD1-CG2 3.99Å; L500-E601 HydrophobicContact CD1-CG 4.33Å
501	D	87.3	Confident	89.7	Confident	37 Å²	37	36 Å²	36	20%	0.198	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.5	141	-173.7	-68.9	25.7	0	0	0	115	R506 S1156 Q1157 A1158	D501-R506 PolarHBondContact O-NH1 3.48Å; D501-S1156 WeakPolarHBondContact OD2-CB 3Å; D501-Q1157 HydrophobicContact CB-CB 4.31Å; D501-Q1157 HydrophobicContact CB-CG 4.46Å; D501-Q1157 WeakPolarHBondContact OD2-CA 3.2Å; D501-Q1157 VanDerWaalsContact OD2-CB 3.31Å; D501-Q1157 WeakPolarHBondContact OD2-CB 3.3Å; D501-Q1157 PolarHBondContact OD2-N 3.21Å; D501-A1158 PolarHBondContact OD1-N 2.72Å; D501-A1158 PolarHBondContact OD2-N 3.39Å
502	F	86.5	Confident	89.9	Confident	7 Å²	7	30.5 Å²	30.5	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.3	174.3	-179.6	-85	0	0	0	112	R508 M509 Y1145 F1147 Q1149 Q1157	F502-R508 WeakPolarHBondContact CA-O 3.27Å; F502-M509 HydrophobicContact CB-CB 4.14Å; F502-M509 HydrophobicContact CB-CG 4.45Å; F502-Y1145 WeakPolarHBondContact CE2-OH 3.41Å; F502-Y1145 WeakPolarHBondContact CZ-OH 3.41Å; F502-F1147 HydrophobicContact CB-CE1 4.28Å; F502-F1147 HydrophobicContact CD1-CD1 4.05Å; F502-F1147 HydrophobicContact CD1-CE1 4.3Å; F502-F1147 AromaticContact CD2-CD1 3.52Å; F502-F1147 HydrophobicContact CD2-CD1 3.52Å; F502-F1147 AromaticContact CD2-CE1 3.76Å; F502-F1147 HydrophobicContact CD2-CE1 3.76Å; F502-F1147 HydrophobicContact CE1-CD1 4Å; F502-F1147 HydrophobicContact CE2-CB 4.22Å; F502-F1147 AromaticContact CE2-CD1 3.45Å; F502-F1147 HydrophobicContact CE2-CD1 3.45Å; F502-F1147 VanDerWaalsContact CE2-CD1 3.45Å; F502-F1147 HydrophobicContact CE2-CE1 4.18Å; F502-F1147 HydrophobicContact CE2-CG 4.16Å; F502-F1147 AromaticContact CG-CD1 3.84Å; F502-F1147 HydrophobicContact CG-CD1 3.84Å; F502-F1147 AromaticContact CG-CE1 3.84Å; F502-F1147 HydrophobicContact CG-CE1 3.84Å; F502-F1147 HydrophobicContact CZ-CB 4.24Å; F502-F1147 AromaticContact CZ-CD1 3.71Å; F502-F1147 HydrophobicContact CZ-CD1 3.71Å; F502-F1147 HydrophobicContact CZ-CG 4.43Å; F502-Q1149 HydrophobicContact CB-CG 4.28Å; F502-Q1149 HydrophobicContact CD1-CB 3.76Å; F502-Q1149 HydrophobicContact CD1-CG 3.94Å; F502-Q1149 HydrophobicContact CE1-CB 4.21Å; F502-Q1149 HydrophobicContact CG-CB 4.41Å; F502-Q1149 HydrophobicContact CG-CG 4.4Å; F502-Q1157 PolarHBondContact O-NE2 3.41Å; F502-Q1157 VanDerWaalsContact O-NE2 3.11Å
503	T	81.2	Confident	90	Very high	47 Å²	47	28.6 Å²	28.6	29%	0.288	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.1	164.2	75.1	0	0	0	0	110.4	D505 R506 K507	T503-D505 VanDerWaalsContact C-N 3.25Å; T503-D505 PolarHBondContact O-N 3.34Å; T503-R506 PolarHBondContact O-N 2.79Å; T503-R506 WeakPolarHBondContact OG1-CB 3.28Å; T503-R506 WeakPolarHBondContact OG1-CG 3.36Å; T503-R506 PolarHBondContact OG1-N 2.9Å; T503-K507 PolarHBondContact O-N 3.06Å
504	S	74.8	Confident	90	Very high	31 Å²	31	27.3 Å²	27.3	22%	0.217	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.8	177.8	-79.4	0	0	0	0	112.8	K507 K641 E1151	S504-K507 WeakPolarHBondContact O-CG 3.1Å; S504-K641 PolarHBondContact OG-NZ 2.89Å; S504-E1151 WeakPolarHBondContact CB-OE2 3.41Å; S504-E1151 VanDerWaalsContact N-CD 3.3Å; S504-E1151 PolarHBondContact N-OE2 3.33Å; S504-E1151 VanDerWaalsContact OG-CD 3.25Å; S504-E1151 PolarHBondContact OG-OE1 3.34Å; S504-E1151 PolarHBondContact OG-OE2 2.7Å; S504-E1151 VanDerWaalsContact OG-OE2 3.1Å
505	D	78.8	Confident	89.9	Confident	156 Å²	156	27.4 Å²	27.4	83%	0.834	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-34.5	177.6	-55.5	-40.3	0	0	0	111.7	T503	T503-D505 VanDerWaalsContact C-N 3.25Å; T503-D505 PolarHBondContact O-N 3.34Å
506	R	87.6	Confident	89.7	Confident	29 Å²	29	28.5 Å²	28.5	11%	0.109	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-26.3	176.9	-68.2	-178.7	74.7	-129.2	-3.1	113.1	L500 D501 T503 R508 V530 E601	L500-R506 PolarHBondContact O-NH1 3.42Å; D501-R506 PolarHBondContact O-NH1 3.48Å; T503-R506 PolarHBondContact O-N 2.79Å; T503-R506 WeakPolarHBondContact OG1-CB 3.28Å; T503-R506 WeakPolarHBondContact OG1-CG 3.36Å; T503-R506 PolarHBondContact OG1-N 2.9Å; R506-R508 HydrophobicContact CB-CG 4.34Å; R506-R508 WeakPolarHBondContact O-CG 3.28Å; R506-R508 PolarHBondContact O-N 3.3Å; R506-R508 PolarHBondContact O-NH1 3.32Å; R506-V530 WeakPolarHBondContact O-CG1 3.43Å; R506-E601 IonicContact CZ-OE1 2.74Å; R506-E601 IonicContact CZ-OE2 3.73Å; R506-E601 IonicContact NH2-OE1 3.28Å; R506-E601 PolarHBondContact NH2-OE1 2.9Å; R506-E601 IonicContact NH2-OE2 3.92Å; R506-E601 PolarHBondContact NH2-OE2 3.2Å
507	K	87.5	Confident	89.6	Confident	46 Å²	46	33.3 Å²	33.3	20%	0.2	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	26.5	-172.1	-54.4	-172.5	-175.8	-178.8	0	115.2	T503 S504 G526 A527 V530 E1140 Y1145	T503-K507 PolarHBondContact O-N 3.06Å; S504-K507 WeakPolarHBondContact O-CG 3.1Å; K507-G526 CarbonylContact O-C 3.59Å; K507-G526 WeakPolarHBondContact O-CA 3.5Å; K507-A527 HydrophobicContact CB-CB 3.91Å; K507-A527 HydrophobicContact CD-CB 4.21Å; K507-A527 PolarHBondContact O-N 3.44Å; K507-V530 HydrophobicContact CB-CG2 3.97Å; K507-V530 HydrophobicContact CD-CG2 4.21Å; K507-V530 HydrophobicContact CG-CG2 4.4Å; K507-E1140 IonicContact NZ-OE1 3.36Å; K507-E1140 PolarHBondContact NZ-OE1 3.46Å; K507-E1140 IonicContact NZ-OE2 2.73Å; K507-E1140 PolarHBondContact NZ-OE2 2.92Å; K507-Y1145 HydrophobicContact CB-CE1 4.24Å; K507-Y1145 HydrophobicContact CD-CE1 4.15Å; K507-Y1145 HydrophobicContact CG-CE1 4.41Å; K507-Y1145 PolarHBondContact O-OH 3.47Å
508	R	92.3	Very high	89.4	Confident	8 Å²	8	33.8 Å²	33.8	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	157.1	-176.9	74.2	-164.9	179	-107.3	10	111.8	F502 R506 K525 I531 E598 E601	F502-R508 WeakPolarHBondContact CA-O 3.27Å; R506-R508 HydrophobicContact CB-CG 4.34Å; R506-R508 WeakPolarHBondContact O-CG 3.28Å; R506-R508 PolarHBondContact O-N 3.3Å; R506-R508 PolarHBondContact O-NH1 3.32Å; R508-K525 CarbonylContact C-O 3.59Å; R508-K525 WeakPolarHBondContact CA-O 3.19Å; R508-K525 WeakPolarHBondContact CB-O 3.27Å; R508-I531 HydrophobicContact CB-CD1 4.48Å; R508-E598 IonicContact CZ-OE2 3.56Å; R508-E598 IonicContact NH1-OE2 3.29Å; R508-E598 IonicContact NH2-OE1 3.49Å; R508-E598 IonicContact NH2-OE2 2.72Å; R508-E598 PolarHBondContact NH2-OE2 3.42Å; R508-E601 IonicContact CZ-OE2 3.4Å; R508-E601 IonicContact NE-OE1 3.96Å; R508-E601 IonicContact NE-OE2 2.77Å; R508-E601 PolarHBondContact NE-OE2 3.16Å; R508-E601 IonicContact NH2-OE2 3.35Å; R508-E601 PolarHBondContact NH2-OE2 3.39Å
509	M	92.5	Very high	89.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	170.7	-167.7	-156.1	-170	0	0	108.5	T439 V499 F502 V511 T524 K525	T439-M509 HydrophobicContact CG2-CE 3.71Å; V499-M509 HydrophobicContact CG1-CE 3.89Å; F502-M509 HydrophobicContact CB-CB 4.14Å; F502-M509 HydrophobicContact CB-CG 4.45Å; M509-V511 HydrophobicContact CE-CG2 4.41Å; M509-T524 WeakPolarHBondContact O-CA 3.49Å; M509-K525 HydrophobicContact CB-CG 4.15Å; M509-K525 PolarHBondContact N-O 3.47Å; M509-K525 PolarHBondContact O-N 3.03Å; M509-K525 WeakPolarHBondContact SD-CE 3.28Å
510	S	94.3	Very high	89.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149.8	170.5	-60.1	0	0	0	0	113	L500 Y523 T524 E601	L500-S510 PolarHBondContact N-O 3.23Å; L500-S510 PolarHBondContact O-N 2.98Å; L500-S510 VanDerWaalsContact O-N 3.16Å; S510-Y523 CarbonylContact C-O 3.58Å; S510-Y523 WeakPolarHBondContact CA-O 3.42Å; S510-Y523 WeakPolarHBondContact CB-O 3.38Å; S510-T524 WeakPolarHBondContact OG-CB 3.3Å; S510-T524 VanDerWaalsContact OG-CG2 3.29Å; S510-T524 WeakPolarHBondContact OG-CG2 3.46Å; S510-T524 PolarHBondContact OG-OG1 3.45Å; S510-E601 VanDerWaalsContact CB-OE1 3.27Å; S510-E601 WeakPolarHBondContact CB-OE1 3.36Å; S510-E601 PolarHBondContact OG-OE1 3.23Å
511	V	94.1	Very high	89.9	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131	171.3	-175.6	0	0	0	0	108.8	C437 V496 V499 M509 V513 Y523	C437-V511 HydrophobicContact CB-CG2 4.47Å; V496-V511 HydrophobicContact CG1-CG1 4.15Å; V499-V511 HydrophobicContact CG1-CG2 4.42Å; V499-V511 HydrophobicContact CG2-CG1 4.33Å; V499-V511 HydrophobicContact CG2-CG2 4.48Å; M509-V511 HydrophobicContact CE-CG2 4.41Å; V511-V513 HydrophobicContact CG1-CG1 3.84Å; V511-Y523 PolarHBondContact N-O 3.13Å; V511-Y523 PolarHBondContact O-N 2.82Å
512	I	95.3	Very high	90.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.7	175.1	-54.6	175.9	0	0	0	108.2	L497 N498 I520 K521 L522 Y572 W575 I600	L497-I512 HydrophobicContact CB-CB 4.45Å; L497-I512 HydrophobicContact CB-CG2 4.23Å; L497-I512 WeakPolarHBondContact CB-O 3.49Å; L497-I512 HydrophobicContact CD1-CG2 4.24Å; L497-I512 PolarHBondContact N-O 3.13Å; N498-I512 HydrophobicContact CB-CD1 4.38Å; N498-I512 PolarHBondContact O-N 3.25Å; I512-I520 HydrophobicContact CG2-CG2 3.53Å; I512-K521 CarbonylContact C-O 3.39Å; I512-K521 WeakPolarHBondContact CA-O 3.46Å; I512-L522 HydrophobicContact CD1-CD1 4.32Å; I512-L522 HydrophobicContact CG1-CD1 3.65Å; I512-Y572 HydrophobicContact CB-CE2 4.45Å; I512-Y572 HydrophobicContact CD1-CD2 4.36Å; I512-Y572 HydrophobicContact CD1-CE2 3.95Å; I512-Y572 HydrophobicContact CG2-CD2 3.97Å; I512-Y572 HydrophobicContact CG2-CE2 3.76Å; I512-W575 HydrophobicContact CD1-CE3 4.12Å; I512-W575 HydrophobicContact CD1-CH2 3.7Å; I512-W575 HydrophobicContact CD1-CZ2 4.42Å; I512-W575 HydrophobicContact CD1-CZ3 3.52Å; I512-I600 HydrophobicContact CD1-CD1 3.69Å
513	V	94.7	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.1	-178.5	-60.9	0	0	0	0	112.3	Y494 D495 V511 I520 K521 Y523	Y494-V513 HydrophobicContact CD1-CB 4.43Å; Y494-V513 HydrophobicContact CD1-CG2 4.05Å; D495-V513 CarbonylContact O-C 3.59Å; D495-V513 VanDerWaalsContact O-CA 3.23Å; D495-V513 WeakPolarHBondContact O-CA 3.45Å; V511-V513 HydrophobicContact CG1-CG1 3.84Å; V513-I520 CarbonylContact O-C 3.54Å; V513-I520 WeakPolarHBondContact O-CA 3.36Å; V513-K521 HydrophobicContact CG2-CB 4.19Å; V513-K521 PolarHBondContact N-O 3.36Å; V513-K521 PolarHBondContact O-N 3.1Å; V513-Y523 HydrophobicContact CG2-CD2 4.04Å; V513-Y523 HydrophobicContact CG2-CE2 3.74Å
514	R	95.5	Very high	91.4	Very high	78 Å²	78	34.2 Å²	34.2	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.5	160.2	-164.6	-180	-62.3	-80.5	4	108.2	Y494 D495 L497 G518	Y494-R514 WeakPolarHBondContact CA-O 3.32Å; D495-R514 HydrophobicContact CB-CB 4.12Å; D495-R514 PolarHBondContact N-O 3.46Å; D495-R514 PolarHBondContact O-N 3.5Å; L497-R514 HydrophobicContact CD1-CB 4.3Å; L497-R514 HydrophobicContact CD2-CB 4.23Å; L497-R514 HydrophobicContact CG-CB 4.38Å; R514-G518 PolarHBondContact NH1-O 3.31Å
515	A	92.1	Very high	92.3	Very high	6 Å²	6	33 Å²	33	5%	0.05	17%	0.174	C	C	.	.			trans	-78.5	161.5	178.2	0	0	0	0	0	111.6	Y494 N517 G518 K519	Y494-A515 HydrophobicContact CD1-CB 4.04Å; Y494-A515 HydrophobicContact CE1-CB 3.63Å; A515-N517 WeakPolarHBondContact CB-OD1 3.42Å; A515-N517 PolarHBondContact O-N 2.78Å; A515-G518 PolarHBondContact O-N 2.95Å; A515-K519 PolarHBondContact N-O 2.83Å
516	P	89.9	Confident	93	Very high	75 Å²	75	25.7 Å²	25.7	49%	0.487	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-19.6	177.9	-24.8	27.8	0	0	0	115.7	E492 K493 Y494 G518	E492-P516 HydrophobicContact CB-CG 3.86Å; E492-P516 HydrophobicContact CG-CG 4.19Å; K493-P516 WeakPolarHBondContact O-CD 3.19Å; K493-P516 WeakPolarHBondContact O-CG 3.41Å; Y494-P516 HydrophobicContact CE2-CG 4.06Å; Y494-P516 VanDerWaalsContact CZ-CD 3.45Å; P516-G518 VanDerWaalsContact C-N 3.33Å
517	N	89.8	Confident	93.1	Very high	107 Å²	107	24.3 Å²	24.3	57%	0.572	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	14.7	176.2	67	9.6	0	0	0	113.8	A515 K519	A515-N517 WeakPolarHBondContact CB-OD1 3.42Å; A515-N517 PolarHBondContact O-N 2.78Å; N517-K519 PolarHBondContact O-N 2.64Å; N517-K519 WeakPolarHBondContact OD1-CB 3.48Å; N517-K519 PolarHBondContact OD1-N 3.2Å
518	G	89.5	Confident	93.2	Very high	40 Å²	40	22.4 Å²	22.4	41%	0.412	12%	0.122	S	C	.	.	S	Bend	trans	79.2	-15.9	178.2	0	0	0	0	0	115.6	R514 A515 P516	R514-G518 PolarHBondContact NH1-O 3.31Å; A515-G518 PolarHBondContact O-N 2.95Å; P516-G518 VanDerWaalsContact C-N 3.33Å
519	K	93.3	Very high	93	Very high	129 Å²	129	24 Å²	24	56%	0.561	13%	0.132	S	C	*	.			trans	-70	140	-178.8	-63.1	-168.2	174.7	-166.3	0	111.6	A515 N517	A515-K519 PolarHBondContact N-O 2.83Å; N517-K519 PolarHBondContact O-N 2.64Å; N517-K519 WeakPolarHBondContact OD1-CB 3.48Å; N517-K519 PolarHBondContact OD1-N 3.2Å
520	I	95.2	Very high	92.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.8	171	-54.9	-177.4	0	0	0	108.7	L497 I512 V513 I567 P569 Y572	L497-I520 HydrophobicContact CD1-CD1 3.86Å; L497-I520 HydrophobicContact CD1-CG1 4.01Å; L497-I520 HydrophobicContact CD1-CG2 3.9Å; I512-I520 HydrophobicContact CG2-CG2 3.53Å; V513-I520 CarbonylContact O-C 3.54Å; V513-I520 WeakPolarHBondContact O-CA 3.36Å; I520-I567 HydrophobicContact CB-CB 4.28Å; I520-I567 HydrophobicContact CG2-CB 4.06Å; I520-I567 PolarHBondContact O-N 2.83Å; I520-P569 HydrophobicContact CD1-CB 4.31Å; I520-P569 HydrophobicContact CD1-CG 4.29Å; I520-Y572 HydrophobicContact CD1-CD1 3.72Å; I520-Y572 HydrophobicContact CD1-CG 3.7Å; I520-Y572 HydrophobicContact CG2-CD2 4.31Å; I520-Y572 HydrophobicContact CG2-CG 4.42Å
521	K	94.6	Very high	92.8	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.039	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.4	175.5	-59.7	-172.8	-177.5	-177.4	0	110.3	E429 I512 V513 Y523 A565	E429-K521 IonicContact OE1-NZ 2.75Å; E429-K521 PolarHBondContact OE1-NZ 2.9Å; E429-K521 IonicContact OE2-NZ 2.69Å; E429-K521 PolarHBondContact OE2-NZ 3.22Å; I512-K521 CarbonylContact C-O 3.39Å; I512-K521 WeakPolarHBondContact CA-O 3.46Å; V513-K521 HydrophobicContact CG2-CB 4.19Å; V513-K521 PolarHBondContact N-O 3.36Å; V513-K521 PolarHBondContact O-N 3.1Å; K521-Y523 HydrophobicContact CD-CE1 4Å; K521-Y523 WeakPolarHBondContact CD-OH 3.31Å; K521-Y523 PolarHBondContact NZ-OH 2.94Å; K521-Y523 VanDerWaalsContact NZ-OH 3.11Å; K521-A565 WeakPolarHBondContact CA-O 3.43Å
522	L	95.7	Very high	92.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.2	161.9	176.9	73.6	0	0	0	107.9	I512 K564 A565 I567 I600 E601 L604	I512-L522 HydrophobicContact CD1-CD1 4.32Å; I512-L522 HydrophobicContact CG1-CD1 3.65Å; L522-K564 CarbonylContact O-C 3.56Å; L522-K564 WeakPolarHBondContact O-CA 3.36Å; L522-K564 WeakPolarHBondContact O-CB 3.11Å; L522-A565 HydrophobicContact CB-CB 4.3Å; L522-A565 HydrophobicContact CD2-CB 4.38Å; L522-A565 PolarHBondContact N-O 3.35Å; L522-A565 PolarHBondContact O-N 3.42Å; L522-I567 HydrophobicContact CB-CD1 4.08Å; L522-I567 HydrophobicContact CB-CG1 4Å; L522-I600 HydrophobicContact CD2-CG1 4.4Å; L522-I600 VanDerWaalsContact CD2-O 3.29Å; L522-I600 WeakPolarHBondContact CD2-O 3.45Å; L522-E601 HydrophobicContact CD2-CG 4.35Å; L522-L604 HydrophobicContact CD2-CD2 3.68Å
523	Y	96.3	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.7	164.8	-65.6	-48.4	0	0	0	108.7	I432 M433 T436 S510 V511 V513 K521 K564	I432-Y523 HydrophobicContact CG2-CE2 4.25Å; I432-Y523 WeakPolarHBondContact CG2-OH 3.46Å; M433-Y523 HydrophobicContact CB-CD1 4.02Å; M433-Y523 HydrophobicContact CB-CE1 4.27Å; M433-Y523 HydrophobicContact CB-CG 4.19Å; M433-Y523 HydrophobicContact CG-CD1 4.08Å; M433-Y523 HydrophobicContact CG-CG 4Å; M433-Y523 HydrophobicContact SD-CD1 4.09Å; M433-Y523 HydrophobicContact SD-CG 4.37Å; T436-Y523 WeakPolarHBondContact OG1-CE2 3.39Å; S510-Y523 CarbonylContact C-O 3.58Å; S510-Y523 WeakPolarHBondContact CA-O 3.42Å; S510-Y523 WeakPolarHBondContact CB-O 3.38Å; V511-Y523 PolarHBondContact N-O 3.13Å; V511-Y523 PolarHBondContact O-N 2.82Å; V513-Y523 HydrophobicContact CG2-CD2 4.04Å; V513-Y523 HydrophobicContact CG2-CE2 3.74Å; K521-Y523 HydrophobicContact CD-CE1 4Å; K521-Y523 WeakPolarHBondContact CD-OH 3.31Å; K521-Y523 PolarHBondContact NZ-OH 2.94Å; K521-Y523 VanDerWaalsContact NZ-OH 3.11Å; Y523-K564 HydrophobicContact CD1-CB 3.75Å; Y523-K564 HydrophobicContact CE1-CB 4.15Å; Y523-K564 HydrophobicContact CE1-CD 4.21Å
524	T	95.4	Very high	92.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.5	-174.1	-58.6	0	0	0	0	110.2	M433 M509 S510 I531 A563 L604	M433-T524 WeakPolarHBondContact CE-O 3.5Å; M509-T524 WeakPolarHBondContact O-CA 3.49Å; S510-T524 WeakPolarHBondContact OG-CB 3.3Å; S510-T524 VanDerWaalsContact OG-CG2 3.29Å; S510-T524 WeakPolarHBondContact OG-CG2 3.46Å; S510-T524 PolarHBondContact OG-OG1 3.45Å; T524-I531 HydrophobicContact CG2-CD1 3.48Å; T524-I531 VanDerWaalsContact CG2-CD1 3.48Å; T524-A563 PolarHBondContact N-O 3.32Å; T524-A563 PolarHBondContact O-N 3.05Å; T524-L604 HydrophobicContact CG2-CD1 3.98Å
525	K	94.6	Very high	92.3	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.7	176.5	68.2	-174.4	-178	-171.6	0	111	M433 C437 E461 R508 M509 C561 M562	M433-K525 HydrophobicContact CE-CB 3.94Å; C437-K525 WeakPolarHBondContact O-CE 3.28Å; C437-K525 PolarHBondContact O-NZ 2.87Å; E461-K525 IonicContact OE1-NZ 3.08Å; E461-K525 PolarHBondContact OE1-NZ 3.2Å; R508-K525 CarbonylContact C-O 3.59Å; R508-K525 WeakPolarHBondContact CA-O 3.19Å; R508-K525 WeakPolarHBondContact CB-O 3.27Å; M509-K525 HydrophobicContact CB-CG 4.15Å; M509-K525 PolarHBondContact N-O 3.47Å; M509-K525 PolarHBondContact O-N 3.03Å; M509-K525 WeakPolarHBondContact SD-CE 3.28Å; K525-C561 WeakPolarHBondContact CA-O 3.42Å; K525-M562 HydrophobicContact CB-CE 4.28Å; K525-M562 HydrophobicContact CB-SD 3.55Å; K525-M562 VanDerWaalsContact CB-SD 3.55Å
526	G	92.4	Very high	92.3	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	-165.5	178.8	0	0	0	0	0	115.3	K507 C561	K507-G526 CarbonylContact O-C 3.59Å; K507-G526 WeakPolarHBondContact O-CA 3.5Å; G526-C561 PolarHBondContact N-O 3.1Å; G526-C561 VanDerWaalsContact N-O 3.14Å; G526-C561 PolarHBondContact O-N 2.93Å
527	A	90.4	Very high	92	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-60.6	145.4	175.4	0	0	0	0	0	112.5	K507 V530 I531 Y1145	K507-A527 HydrophobicContact CB-CB 3.91Å; K507-A527 HydrophobicContact CD-CB 4.21Å; K507-A527 PolarHBondContact O-N 3.44Å; A527-V530 HydrophobicContact CB-CB 4.39Å; A527-V530 HydrophobicContact CB-CG2 4.35Å; A527-V530 PolarHBondContact O-N 3.27Å; A527-I531 VanDerWaalsContact O-CB 3.3Å; A527-I531 WeakPolarHBondContact O-CB 3.31Å; A527-I531 WeakPolarHBondContact O-CG1 3.04Å; A527-I531 PolarHBondContact O-N 3.04Å; A527-Y1145 HydrophobicContact CB-CD1 3.68Å; A527-Y1145 HydrophobicContact CB-CD2 3.71Å; A527-Y1145 HydrophobicContact CB-CE1 3.79Å; A527-Y1145 HydrophobicContact CB-CE2 3.8Å; A527-Y1145 HydrophobicContact CB-CG 3.63Å
528	D	88.8	Confident	91.7	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-49.1	172.8	57.3	-73.7	0	0	0	111.6	V530 I531 Y532 L549 H1143	D528-V530 VanDerWaalsContact C-N 3.27Å; D528-V530 PolarHBondContact O-N 3.44Å; D528-I531 PolarHBondContact O-N 3.1Å; D528-Y532 HydrophobicContact CB-CD2 4.25Å; D528-Y532 HydrophobicContact CB-CE2 4.31Å; D528-Y532 WeakPolarHBondContact O-CB 3.46Å; D528-Y532 VanDerWaalsContact O-CD2 3.22Å; D528-Y532 WeakPolarHBondContact O-CD2 3.43Å; D528-Y532 PolarHBondContact O-N 3Å; D528-L549 HydrophobicContact CB-CD1 4.04Å; D528-H1143 IonicContact OD2-CG 2.69Å; D528-H1143 IonicContact OD2-ND1 2.72Å; D528-H1143 PolarHBondContact OD2-ND1 3.12Å
529	T	87.7	Confident	91.4	Very high	41 Å²	41	39.9 Å²	39.9	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-52.3	-43.8	178	47.9	0	0	0	0	112.9	E533 E1140	T529-E533 WeakPolarHBondContact O-CG 3.26Å; T529-E1140 HydrophobicContact CG2-CG 3.52Å; T529-E1140 PolarHBondContact OG1-OE1 3.12Å
530	V	91.1	Very high	91	Very high	18 Å²	18	40 Å²	40	11%	0.109	21%	0.211	C	C	.	.	H	α-helix	trans	-83.3	-35.1	-177.3	179.2	0	0	0	0	112.8	R506 K507 A527 D528 R534	R506-V530 WeakPolarHBondContact O-CG1 3.43Å; K507-V530 HydrophobicContact CB-CG2 3.97Å; K507-V530 HydrophobicContact CD-CG2 4.21Å; K507-V530 HydrophobicContact CG-CG2 4.4Å; A527-V530 HydrophobicContact CB-CB 4.39Å; A527-V530 HydrophobicContact CB-CG2 4.35Å; A527-V530 PolarHBondContact O-N 3.27Å; D528-V530 VanDerWaalsContact C-N 3.27Å; D528-V530 PolarHBondContact O-N 3.44Å; V530-R534 WeakPolarHBondContact O-CD 3.11Å; V530-R534 PolarHBondContact O-NH1 3.4Å
531	I	92.7	Very high	90.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.8	-42.4	179.1	-66.1	-67.7	0	0	0	110.5	R508 T524 A527 D528 E533 R534 L535 C561 A563	R508-I531 HydrophobicContact CB-CD1 4.48Å; T524-I531 HydrophobicContact CG2-CD1 3.48Å; T524-I531 VanDerWaalsContact CG2-CD1 3.48Å; A527-I531 VanDerWaalsContact O-CB 3.3Å; A527-I531 WeakPolarHBondContact O-CB 3.31Å; A527-I531 WeakPolarHBondContact O-CG1 3.04Å; A527-I531 PolarHBondContact O-N 3.04Å; D528-I531 PolarHBondContact O-N 3.1Å; I531-E533 VanDerWaalsContact C-N 3.35Å; I531-E533 PolarHBondContact O-N 2.73Å; I531-R534 CarbonylContact O-C 3.6Å; I531-R534 WeakPolarHBondContact O-CA 3.5Å; I531-R534 PolarHBondContact O-N 2.73Å; I531-L535 HydrophobicContact CG2-CD2 4.24Å; I531-L535 HydrophobicContact CG2-CG 4.46Å; I531-L535 WeakPolarHBondContact O-CG 3.18Å; I531-L535 PolarHBondContact O-N 2.87Å; I531-C561 HydrophobicContact CB-CB 3.99Å; I531-C561 HydrophobicContact CG1-CB 4.04Å; I531-C561 HydrophobicContact CG2-CB 3.97Å; I531-A563 HydrophobicContact CG2-CB 3.98Å
532	Y	91.2	Very high	90.3	Very high	54 Å²	54	42.4 Å²	42.4	21%	0.212	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-33.6	-177.1	-83.8	-111.9	0	0	0	113.1	D528 R534 L535 G542 L546	D528-Y532 HydrophobicContact CB-CD2 4.25Å; D528-Y532 HydrophobicContact CB-CE2 4.31Å; D528-Y532 WeakPolarHBondContact O-CB 3.46Å; D528-Y532 VanDerWaalsContact O-CD2 3.22Å; D528-Y532 WeakPolarHBondContact O-CD2 3.43Å; D528-Y532 PolarHBondContact O-N 3Å; Y532-R534 PolarHBondContact O-N 3.31Å; Y532-R534 VanDerWaalsContact O-N 3.17Å; Y532-L535 HydrophobicContact CD1-CD1 3.85Å; Y532-L535 HydrophobicContact CD2-CD1 4.18Å; Y532-L535 HydrophobicContact CE1-CD1 4.17Å; Y532-L535 HydrophobicContact CE2-CD1 4.49Å; Y532-L535 HydrophobicContact CG-CD1 3.87Å; Y532-L535 PolarHBondContact O-N 3.47Å; Y532-G542 PolarHBondContact OH-O 3.33Å; Y532-L546 HydrophobicContact CD1-CD1 4.42Å; Y532-L546 HydrophobicContact CD1-CD2 4.31Å; Y532-L546 HydrophobicContact CD1-CG 4.49Å; Y532-L546 HydrophobicContact CE1-CD1 3.9Å; Y532-L546 HydrophobicContact CE1-CD2 3.75Å; Y532-L546 HydrophobicContact CE1-CG 3.65Å; Y532-L546 HydrophobicContact CE2-CD2 3.98Å
533	E	91.6	Very high	90	Very high	143 Å²	143	48.6 Å²	48.6	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.6	169.2	-76.3	176.2	167.1	0	0	113.9	T529 I531	T529-E533 WeakPolarHBondContact O-CG 3.26Å; I531-E533 VanDerWaalsContact C-N 3.35Å; I531-E533 PolarHBondContact O-N 2.73Å
534	R	93.6	Very high	89.8	Confident	35 Å²	35	51.4 Å²	51.4	13%	0.132	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.4	-171.5	-71.8	164.3	-174.5	72.3	7.7	113.3	V530 I531 Y532 E598 E601 D603 L604	V530-R534 WeakPolarHBondContact O-CD 3.11Å; V530-R534 PolarHBondContact O-NH1 3.4Å; I531-R534 CarbonylContact O-C 3.6Å; I531-R534 WeakPolarHBondContact O-CA 3.5Å; I531-R534 PolarHBondContact O-N 2.73Å; Y532-R534 PolarHBondContact O-N 3.31Å; Y532-R534 VanDerWaalsContact O-N 3.17Å; R534-E598 IonicContact CZ-OE1 3.98Å; R534-E598 VanDerWaalsContact CZ-OE1 3.29Å; R534-E598 IonicContact CZ-OE2 2.69Å; R534-E598 IonicContact NE-OE1 3.87Å; R534-E598 PolarHBondContact NE-OE1 3.48Å; R534-E598 IonicContact NE-OE2 2.81Å; R534-E598 PolarHBondContact NE-OE2 3.05Å; R534-E598 VanDerWaalsContact NH2-CD 3.32Å; R534-E598 IonicContact NH2-OE1 3.41Å; R534-E598 PolarHBondContact NH2-OE1 3.44Å; R534-E598 VanDerWaalsContact NH2-OE1 3.08Å; R534-E598 IonicContact NH2-OE2 3.85Å; R534-E598 PolarHBondContact NH2-OE2 3.43Å; R534-E601 WeakPolarHBondContact CB-O 3.17Å; R534-E601 WeakPolarHBondContact CD-O 3.22Å; R534-E601 WeakPolarHBondContact CG-O 3.19Å; R534-D603 PolarHBondContact O-N 3.32Å; R534-L604 HydrophobicContact CB-CD1 3.91Å; R534-L604 HydrophobicContact CB-CG 4.37Å; R534-L604 WeakPolarHBondContact O-CB 3.4Å; R534-L604 WeakPolarHBondContact O-CG 3.49Å; R534-L604 PolarHBondContact O-N 3.38Å
535	L	93.1	Very high	89.7	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.12	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-73.1	139.5	174	-68.5	176.9	0	0	0	110.8	I531 Y532 Q539 A563 L604 L606	I531-L535 HydrophobicContact CG2-CD2 4.24Å; I531-L535 HydrophobicContact CG2-CG 4.46Å; I531-L535 WeakPolarHBondContact O-CG 3.18Å; I531-L535 PolarHBondContact O-N 2.87Å; Y532-L535 HydrophobicContact CD1-CD1 3.85Å; Y532-L535 HydrophobicContact CD2-CD1 4.18Å; Y532-L535 HydrophobicContact CE1-CD1 4.17Å; Y532-L535 HydrophobicContact CE2-CD1 4.49Å; Y532-L535 HydrophobicContact CG-CD1 3.87Å; Y532-L535 PolarHBondContact O-N 3.47Å; L535-Q539 HydrophobicContact CB-CG 3.92Å; L535-Q539 HydrophobicContact CD1-CG 4.03Å; L535-Q539 HydrophobicContact CG-CG 4.4Å; L535-A563 HydrophobicContact CD2-CB 4.19Å; L535-L604 CarbonylContact C-O 3.59Å; L535-L604 VanDerWaalsContact CA-O 3.3Å; L535-L604 WeakPolarHBondContact CA-O 3.5Å; L535-L604 HydrophobicContact CD2-CB 4.1Å; L535-L604 WeakPolarHBondContact CD2-O 3.47Å; L535-L606 HydrophobicContact CD1-CB 4.13Å; L535-L606 HydrophobicContact CD1-CD2 4.39Å; L535-L606 HydrophobicContact CD2-CB 3.84Å
536	A	91.1	Very high	89.5	Confident	28 Å²	28	53.3 Å²	53.3	23%	0.231	28%	0.28	C	S	.	.			trans	-59.1	145.3	168.5	0	0	0	0	0	110.7	N538 Q539 D603 L604	A536-N538 VanDerWaalsContact C-N 3.25Å; A536-N538 PolarHBondContact O-N 2.93Å; A536-Q539 WeakPolarHBondContact O-CG 3.47Å; A536-Q539 PolarHBondContact O-NE2 3.1Å; A536-D603 HydrophobicContact CB-CB 4.08Å; A536-L604 PolarHBondContact N-O 2.84Å
537	V	84.4	Confident	89.4	Confident	140 Å²	140	60 Å²	60	85%	0.848	31%	0.305	S	S	*	.	S	Bend	trans	-51.3	-35.9	-168	-176.3	0	0	0	0	114.8
538	N	83.2	Confident	89.5	Confident	154 Å²	154	61.2 Å²	61.2	82%	0.824	31%	0.311	S	S	*	.			trans	-101.6	84.7	-176.3	-72.5	-19.2	0	0	0	112.6	A536	A536-N538 VanDerWaalsContact C-N 3.25Å; A536-N538 PolarHBondContact O-N 2.93Å
539	Q	84	Confident	89.6	Confident	47 Å²	47	61 Å²	61	22%	0.22	31%	0.309	C	S	.	.			trans	-98.3	130.9	173.1	-57.2	-64.2	-38.5	0	0	111.8	L535 A536 Y541 L604	L535-Q539 HydrophobicContact CB-CG 3.92Å; L535-Q539 HydrophobicContact CD1-CG 4.03Å; L535-Q539 HydrophobicContact CG-CG 4.4Å; A536-Q539 WeakPolarHBondContact O-CG 3.47Å; A536-Q539 PolarHBondContact O-NE2 3.1Å; Q539-Y541 VanDerWaalsContact C-N 3.34Å; Q539-Y541 PolarHBondContact O-N 3.35Å; Q539-L604 PolarHBondContact NE2-O 2.91Å
540	L	83.8	Confident	89.6	Confident	132 Å²	132	63.3 Å²	63.3	69%	0.691	32%	0.318	S	S	*	.	S	Bend	trans	-75.5	-18.2	-179.7	-68.4	169.9	0	0	0	114.4
541	Y	87.9	Confident	89.4	Confident	54 Å²	54	66.5 Å²	66.5	21%	0.212	33%	0.331	C	S	.	.	S	Bend	trans	-131.1	7.9	-163.7	-49.9	-58.2	0	0	0	114.7	A396 Q539 T545	A396-Y541 VanDerWaalsContact C-CD1 3.47Å; A396-Y541 HydrophobicContact CB-CD2 4.35Å; A396-Y541 HydrophobicContact CB-CE1 4.24Å; A396-Y541 HydrophobicContact CB-CE2 3.86Å; A396-Y541 WeakPolarHBondContact O-CD1 3.46Å; A396-Y541 VanDerWaalsContact O-CE1 3.3Å; A396-Y541 WeakPolarHBondContact O-CE1 3.35Å; Q539-Y541 VanDerWaalsContact C-N 3.34Å; Q539-Y541 PolarHBondContact O-N 3.35Å; Y541-T545 WeakPolarHBondContact O-CB 3.29Å; Y541-T545 PolarHBondContact O-N 3.32Å; Y541-T545 PolarHBondContact O-OG1 3.46Å
542	G	87.7	Confident	89.2	Confident	8 Å²	8	66.5 Å²	66.5	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-68.7	-173.3	0	0	0	0	0	113.3	Y532 I544 T545 L546	Y532-G542 PolarHBondContact OH-O 3.33Å; G542-I544 PolarHBondContact O-N 3.49Å; G542-T545 PolarHBondContact O-N 3.07Å; G542-L546 PolarHBondContact O-N 3.23Å
543	D	88.9	Confident	88.8	Confident	130 Å²	130	64.2 Å²	64.2	70%	0.695	32%	0.323	S	S	*	.	H	α-helix	trans	-60.1	-18.2	-177.6	-47.8	-22.2	0	0	0	114.5	R547	D543-R547 PolarHBondContact O-NE 2.61Å
544	I	92.3	Very high	88.2	Confident	58 Å²	58	61.3 Å²	61.3	30%	0.297	32%	0.324	S	S	.	.	H	α-helix	trans	-81.4	-48.1	173.5	-56.4	175.6	0	0	0	109.4	G397 G542 L546 R547 H548	G397-I544 WeakPolarHBondContact O-CG2 3.48Å; G542-I544 PolarHBondContact O-N 3.49Å; I544-L546 PolarHBondContact O-N 3.19Å; I544-R547 PolarHBondContact O-N 3.05Å; I544-H548 WeakPolarHBondContact CG2-CE1 3.49Å; I544-H548 PolarHBondContact O-N 2.6Å
545	T	92.4	Very high	87.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-37	180	-53.5	0	0	0	0	111.9	Y541 G542 R547 H548 L549 L606 A609	Y541-T545 WeakPolarHBondContact O-CB 3.29Å; Y541-T545 PolarHBondContact O-N 3.32Å; Y541-T545 PolarHBondContact O-OG1 3.46Å; G542-T545 PolarHBondContact O-N 3.07Å; T545-R547 PolarHBondContact O-N 3.08Å; T545-H548 PolarHBondContact O-N 3.11Å; T545-L549 HydrophobicContact CG2-CD1 4.39Å; T545-L549 WeakPolarHBondContact O-CG 3.25Å; T545-L549 PolarHBondContact O-N 2.97Å; T545-L606 HydrophobicContact CG2-CD2 4.33Å; T545-A609 HydrophobicContact CG2-CB 3.8Å
546	L	90.6	Very high	86.8	Confident	46 Å²	46	61 Å²	61	24%	0.241	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-44.7	172.6	-72.1	175.7	0	0	0	112.5	Y532 G542 I544 H548 L549 E550	Y532-L546 HydrophobicContact CD1-CD1 4.42Å; Y532-L546 HydrophobicContact CD1-CD2 4.31Å; Y532-L546 HydrophobicContact CD1-CG 4.49Å; Y532-L546 HydrophobicContact CE1-CD1 3.9Å; Y532-L546 HydrophobicContact CE1-CD2 3.75Å; Y532-L546 HydrophobicContact CE1-CG 3.65Å; Y532-L546 HydrophobicContact CE2-CD2 3.98Å; G542-L546 PolarHBondContact O-N 3.23Å; I544-L546 PolarHBondContact O-N 3.19Å; L546-H548 VanDerWaalsContact C-N 3.33Å; L546-H548 PolarHBondContact O-N 3.41Å; L546-L549 HydrophobicContact CD2-CD1 4.29Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 3Å; L546-E550 PolarHBondContact O-N 2.74Å
547	R	90.9	Very high	86.6	Confident	144 Å²	144	60.1 Å²	60.1	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-68	-32.1	177.7	-71.1	179.7	-67.1	123.5	-4	112.8	D543 I544 T545 E550 E551	D543-R547 PolarHBondContact O-NE 2.61Å; I544-R547 PolarHBondContact O-N 3.05Å; T545-R547 PolarHBondContact O-N 3.08Å; R547-E550 PolarHBondContact O-N 3.21Å; R547-E551 PolarHBondContact O-N 3.5Å; R547-E551 VanDerWaalsContact O-N 3.14Å
548	H	93.1	Very high	86.8	Confident	25 Å²	25	53.7 Å²	53.7	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-34.5	172.8	-58.2	162.5	0	0	0	111.9	S394 G397 T399 I544 T545 L546 E551 F552	S394-H548 PolarHBondContact OG-ND1 2.82Å; G397-H548 PolarHBondContact O-CE1 2.78Å; T399-H548 HydrophobicContact CG2-CB 4.18Å; I544-H548 WeakPolarHBondContact CG2-CE1 3.49Å; I544-H548 PolarHBondContact O-N 2.6Å; T545-H548 PolarHBondContact O-N 3.11Å; L546-H548 VanDerWaalsContact C-N 3.33Å; L546-H548 PolarHBondContact O-N 3.41Å; H548-E551 PolarHBondContact O-N 2.89Å; H548-F552 HydrophobicContact CB-CE2 4.22Å; H548-F552 HydrophobicContact CB-CZ 4.21Å; H548-F552 WeakPolarHBondContact O-CB 3.43Å; H548-F552 WeakPolarHBondContact O-CD1 3.38Å; H548-F552 VanDerWaalsContact O-CD2 3.26Å; H548-F552 WeakPolarHBondContact O-CD2 3.22Å; H548-F552 WeakPolarHBondContact O-CG 3.36Å; H548-F552 PolarHBondContact O-N 2.64Å
549	L	90.7	Very high	87.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-41.4	171.8	-70.9	163.5	0	0	0	111.5	D528 T545 L546 F552 A553 T559 A609 H1143	D528-L549 HydrophobicContact CB-CD1 4.04Å; T545-L549 HydrophobicContact CG2-CD1 4.39Å; T545-L549 WeakPolarHBondContact O-CG 3.25Å; T545-L549 PolarHBondContact O-N 2.97Å; L546-L549 HydrophobicContact CD2-CD1 4.29Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 3Å; L549-F552 PolarHBondContact O-N 3.32Å; L549-A553 VanDerWaalsContact O-CB 3.25Å; L549-A553 WeakPolarHBondContact O-CB 3.49Å; L549-A553 PolarHBondContact O-N 3.1Å; L549-T559 VanDerWaalsContact CD2-CB 3.45Å; L549-T559 HydrophobicContact CD2-CG2 3.77Å; L549-A609 HydrophobicContact CD2-CB 3.75Å; L549-A609 HydrophobicContact CG-CB 4.26Å; L549-H1143 HydrophobicContact CB-CB 4.47Å
550	E	86.8	Confident	87.6	Confident	91 Å²	91	44.3 Å²	44.3	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-62.3	-40.7	173.8	-67	177	-178.8	0	0	112.5	L546 R547 A554 H1143	L546-E550 PolarHBondContact O-N 2.74Å; R547-E550 PolarHBondContact O-N 3.21Å; E550-A554 VanDerWaalsContact O-CB 3.24Å; E550-A554 WeakPolarHBondContact O-CB 3.43Å; E550-A554 PolarHBondContact O-N 3.16Å; E550-H1143 WeakPolarHBondContact CG-CD2 3.24Å; E550-H1143 VanDerWaalsContact CG-NE2 3.28Å; E550-H1143 WeakPolarHBondContact CG-NE2 3.34Å; E550-H1143 IonicContact OE1-CD2 2.62Å; E550-H1143 IonicContact OE1-CE1 3.07Å; E550-H1143 IonicContact OE1-NE2 2.72Å; E550-H1143 PolarHBondContact OE1-NE2 3.22Å
551	E	86.9	Confident	88.1	Confident	85 Å²	85	38 Å²	38	40%	0.397	20%	0.199	S	C	.	.	H	α-helix	trans	-64.4	-43.4	174.5	-172.2	-170.7	130.8	0	0	112.1	R392 R547 H548 S555	R392-E551 IonicContact CZ-OE1 2.77Å; R392-E551 IonicContact NH1-OE1 2.62Å; R392-E551 PolarHBondContact NH1-OE1 3.08Å; R392-E551 IonicContact NH2-OE1 3.35Å; R392-E551 PolarHBondContact NH2-OE1 3.05Å; R547-E551 PolarHBondContact O-N 3.5Å; R547-E551 VanDerWaalsContact O-N 3.14Å; H548-E551 PolarHBondContact O-N 2.89Å; E551-S555 PolarHBondContact O-N 2.72Å; E551-S555 VanDerWaalsContact O-N 3.17Å; E551-S555 PolarHBondContact O-OG 2.89Å
552	F	89.1	Confident	88.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-42.4	179	-60.7	-21.3	0	0	0	111.7	R392 T399 H548 L549 S555 G556 Y557 T559 A611	R392-F552 HydrophobicContact CB-CE1 3.99Å; R392-F552 HydrophobicContact CB-CZ 4.26Å; T399-F552 HydrophobicContact CG2-CE1 4.45Å; T399-F552 HydrophobicContact CG2-CZ 4.25Å; H548-F552 HydrophobicContact CB-CE2 4.22Å; H548-F552 HydrophobicContact CB-CZ 4.21Å; H548-F552 WeakPolarHBondContact O-CB 3.43Å; H548-F552 WeakPolarHBondContact O-CD1 3.38Å; H548-F552 VanDerWaalsContact O-CD2 3.26Å; H548-F552 WeakPolarHBondContact O-CD2 3.22Å; H548-F552 WeakPolarHBondContact O-CG 3.36Å; H548-F552 PolarHBondContact O-N 2.64Å; L549-F552 PolarHBondContact O-N 3.32Å; F552-S555 CarbonylContact O-C 3.6Å; F552-S555 WeakPolarHBondContact O-CA 3.43Å; F552-S555 WeakPolarHBondContact O-CB 3.41Å; F552-S555 PolarHBondContact O-N 2.86Å; F552-S555 VanDerWaalsContact O-N 3.16Å; F552-G556 PolarHBondContact O-N 3.23Å; F552-Y557 HydrophobicContact CB-CD2 4.23Å; F552-Y557 WeakPolarHBondContact O-CB 3.32Å; F552-Y557 PolarHBondContact O-N 2.77Å; F552-T559 HydrophobicContact CB-CG2 3.81Å; F552-T559 HydrophobicContact CD2-CG2 4.45Å; F552-A611 HydrophobicContact CB-CB 4.1Å; F552-A611 HydrophobicContact CD1-CB 4.27Å; F552-A611 HydrophobicContact CD2-CB 3.73Å; F552-A611 HydrophobicContact CE2-CB 4.17Å; F552-A611 HydrophobicContact CG-CB 3.78Å
553	A	83.1	Confident	88.8	Confident	5 Å²	5	35.2 Å²	35.2	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-41.5	176.3	0	0	0	0	0	112.6	L549 S555 G556 R1142	L549-A553 VanDerWaalsContact O-CB 3.25Å; L549-A553 WeakPolarHBondContact O-CB 3.49Å; L549-A553 PolarHBondContact O-N 3.1Å; A553-S555 PolarHBondContact O-N 3.26Å; A553-G556 WeakPolarHBondContact O-CA 3.4Å; A553-G556 PolarHBondContact O-N 3.29Å; A553-R1142 WeakPolarHBondContact CB-O 3.3Å
554	A	77.8	Confident	89.1	Confident	82 Å²	82	30 Å²	30	68%	0.678	16%	0.157	S	C	*	.	H	α-helix	trans	-64	-20.9	173.4	0	0	0	0	0	113.1	E550	E550-A554 VanDerWaalsContact O-CB 3.24Å; E550-A554 WeakPolarHBondContact O-CB 3.43Å; E550-A554 PolarHBondContact O-N 3.16Å
555	S	78.9	Confident	89.2	Confident	47 Å²	47	27.9 Å²	27.9	33%	0.329	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.7	171.6	-51	0	0	0	0	113.4	E551 F552 A553	E551-S555 PolarHBondContact O-N 2.72Å; E551-S555 VanDerWaalsContact O-N 3.17Å; E551-S555 PolarHBondContact O-OG 2.89Å; F552-S555 CarbonylContact O-C 3.6Å; F552-S555 WeakPolarHBondContact O-CA 3.43Å; F552-S555 WeakPolarHBondContact O-CB 3.41Å; F552-S555 PolarHBondContact O-N 2.86Å; F552-S555 VanDerWaalsContact O-N 3.16Å; A553-S555 PolarHBondContact O-N 3.26Å
556	G	79.3	Confident	89.2	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	12.3	-178.5	0	0	0	0	0	115.3	F552 A553 S651	F552-G556 PolarHBondContact O-N 3.23Å; A553-G556 WeakPolarHBondContact O-CA 3.4Å; A553-G556 PolarHBondContact O-N 3.29Å; G556-S651 WeakPolarHBondContact CA-OG 3.4Å; G556-S651 PolarHBondContact O-OG 2.87Å
557	Y	86.9	Confident	89.4	Confident	10 Å²	10	31.3 Å²	31.3	4%	0.039	17%	0.167	C	C	.	.			trans	-78.2	141.5	177.8	-58.4	-43.9	0	0	0	112.1	K391 F552 A611 E613	K391-Y557 HydrophobicContact CB-CE1 4.44Å; K391-Y557 HydrophobicContact CG-CE1 3.86Å; K391-Y557 HydrophobicContact CG-CE2 4.48Å; F552-Y557 HydrophobicContact CB-CD2 4.23Å; F552-Y557 WeakPolarHBondContact O-CB 3.32Å; F552-Y557 PolarHBondContact O-N 2.77Å; Y557-A611 HydrophobicContact CD2-CB 4.07Å; Y557-A611 HydrophobicContact CG-CB 4.22Å; Y557-E613 HydrophobicContact CD1-CB 3.86Å; Y557-E613 HydrophobicContact CD1-CG 4.06Å; Y557-E613 HydrophobicContact CE1-CB 3.86Å; Y557-E613 HydrophobicContact CE1-CG 3.81Å
558	R	87.9	Confident	89.5	Confident	5 Å²	5	28.3 Å²	28.3	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.1	168.7	-53.7	180	172.1	-148.7	-3.7	108.9	M388 D460 A611 I612 D614 G1144 A1146 S1148	M388-R558 VanDerWaalsContact CE-NH2 3.3Å; D460-R558 WeakPolarHBondContact OD1-CD 3.45Å; D460-R558 IonicContact OD1-CZ 3.63Å; D460-R558 IonicContact OD1-NE 2.8Å; D460-R558 IonicContact OD1-NH1 3.79Å; D460-R558 PolarHBondContact OD1-NH1 3.09Å; D460-R558 IonicContact OD2-NH1 3.72Å; D460-R558 PolarHBondContact OD2-NH1 2.82Å; R558-A611 WeakPolarHBondContact O-CA 3.38Å; R558-I612 HydrophobicContact CB-CB 4.32Å; R558-I612 PolarHBondContact N-O 3.12Å; R558-I612 PolarHBondContact O-N 3.35Å; R558-D614 IonicContact CZ-OD2 3.85Å; R558-D614 IonicContact NE-OD2 3.33Å; R558-D614 IonicContact NH2-OD2 3.79Å; R558-D614 PolarHBondContact NH2-OD2 2.72Å; R558-G1144 WeakPolarHBondContact CA-O 3.35Å; R558-A1146 HydrophobicContact CB-CB 4.17Å; R558-A1146 HydrophobicContact CG-CB 4Å; R558-S1148 PolarHBondContact NH1-OG 3.08Å
559	T	91.6	Very high	89.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150	-179.1	67.3	0	0	0	0	112.9	L549 F552 T610 H1143 G1144 Y1145	L549-T559 VanDerWaalsContact CD2-CB 3.45Å; L549-T559 HydrophobicContact CD2-CG2 3.77Å; F552-T559 HydrophobicContact CB-CG2 3.81Å; F552-T559 HydrophobicContact CD2-CG2 4.45Å; T559-T610 WeakPolarHBondContact CA-O 3.44Å; T559-H1143 WeakPolarHBondContact CG2-O 3.42Å; T559-H1143 PolarHBondContact OG1-O 3.5Å; T559-G1144 PolarHBondContact N-O 2.86Å; T559-G1144 PolarHBondContact OG1-O 2.95Å; T559-Y1145 WeakPolarHBondContact O-CD2 3.25Å; T559-Y1145 WeakPolarHBondContact OG1-CA 3.1Å; T559-Y1145 PolarHBondContact OG1-N 3.21Å; T559-Y1145 VanDerWaalsContact OG1-N 3.17Å
560	L	93.2	Very high	89.5	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.3	169.1	-60.1	169.5	0	0	0	109.5	L464 M562 A609 T610 I612 Y1145 F1147	L464-L560 HydrophobicContact CD1-CD1 4.06Å; L560-M562 HydrophobicContact CB-CE 4.17Å; L560-M562 HydrophobicContact CD1-CE 4.33Å; L560-A609 CarbonylContact O-C 3.51Å; L560-A609 WeakPolarHBondContact O-CA 3.37Å; L560-A609 WeakPolarHBondContact O-CB 3.22Å; L560-T610 PolarHBondContact N-O 2.97Å; L560-T610 PolarHBondContact O-N 2.74Å; L560-I612 HydrophobicContact CD1-CD1 4.34Å; L560-Y1145 HydrophobicContact CD2-CD2 3.99Å; L560-Y1145 HydrophobicContact CD2-CE2 3.68Å; L560-F1147 HydrophobicContact CD1-CD2 3.97Å; L560-F1147 HydrophobicContact CD1-CE2 4.19Å; L560-F1147 HydrophobicContact CD2-CB 4.21Å; L560-F1147 HydrophobicContact CD2-CD2 3.9Å; L560-F1147 HydrophobicContact CD2-CG 4.37Å
561	C	94.8	Very high	89.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.7	170	-73.1	0	0	0	0	110.7	K525 G526 I531	K525-C561 WeakPolarHBondContact CA-O 3.42Å; G526-C561 PolarHBondContact N-O 3.1Å; G526-C561 VanDerWaalsContact N-O 3.14Å; G526-C561 PolarHBondContact O-N 2.93Å; I531-C561 HydrophobicContact CB-CB 3.99Å; I531-C561 HydrophobicContact CG1-CB 4.04Å; I531-C561 HydrophobicContact CG2-CB 3.97Å
562	M	95.1	Very high	90.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.1	-178.2	-61.5	-63.2	-179.3	0	0	109.8	F430 M433 L464 K525 L560 L607 G608 T610	F430-M562 HydrophobicContact CD2-CB 4Å; F430-M562 HydrophobicContact CD2-CG 4.32Å; F430-M562 HydrophobicContact CE2-CB 3.74Å; F430-M562 HydrophobicContact CE2-CG 3.72Å; F430-M562 HydrophobicContact CZ-CG 4.22Å; M433-M562 HydrophobicContact CE-CB 4.01Å; M433-M562 HydrophobicContact CE-CG 4.4Å; M433-M562 HydrophobicContact CE-SD 3.55Å; M433-M562 VanDerWaalsContact CE-SD 3.55Å; M433-M562 HydrophobicContact SD-CB 3.96Å; M433-M562 HydrophobicContact SD-SD 4.32Å; L464-M562 HydrophobicContact CD1-CE 3.79Å; L464-M562 HydrophobicContact CD2-CE 4.09Å; K525-M562 HydrophobicContact CB-CE 4.28Å; K525-M562 HydrophobicContact CB-SD 3.55Å; K525-M562 VanDerWaalsContact CB-SD 3.55Å; L560-M562 HydrophobicContact CB-CE 4.17Å; L560-M562 HydrophobicContact CD1-CE 4.33Å; M562-L607 WeakPolarHBondContact O-CB 3.3Å; M562-L607 PolarHBondContact O-N 3.17Å; M562-G608 PolarHBondContact N-O 3.03Å; M562-G608 PolarHBondContact O-N 3.41Å; M562-T610 HydrophobicContact CE-CG2 3.6Å; M562-T610 HydrophobicContact CG-CG2 4.16Å
563	A	95.3	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.1	-179.6	0	0	0	0	0	112.1	T524 I531 L535 L604 K605	T524-A563 PolarHBondContact N-O 3.32Å; T524-A563 PolarHBondContact O-N 3.05Å; I531-A563 HydrophobicContact CG2-CB 3.98Å; L535-A563 HydrophobicContact CD2-CB 4.19Å; A563-L604 HydrophobicContact CB-CB 4.06Å; A563-L604 HydrophobicContact CB-CD1 4.38Å; A563-K605 CarbonylContact C-O 3.58Å; A563-K605 VanDerWaalsContact CA-O 3.25Å; A563-K605 WeakPolarHBondContact CA-O 3.42Å; A563-K605 WeakPolarHBondContact CB-O 3.31Å
564	K	94.9	Very high	90.9	Very high	20 Å²	20	43 Å²	43	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	161	177	77.6	159.6	-159.2	152.7	0	113.3	E429 L522 Y523 D566 K605 L607	E429-K564 WeakPolarHBondContact OE2-CE 3.45Å; E429-K564 IonicContact OE2-NZ 2.85Å; E429-K564 PolarHBondContact OE2-NZ 3.47Å; L522-K564 CarbonylContact O-C 3.56Å; L522-K564 WeakPolarHBondContact O-CA 3.36Å; L522-K564 WeakPolarHBondContact O-CB 3.11Å; Y523-K564 HydrophobicContact CD1-CB 3.75Å; Y523-K564 HydrophobicContact CE1-CB 4.15Å; Y523-K564 HydrophobicContact CE1-CD 4.21Å; K564-D566 IonicContact NZ-OD1 2.66Å; K564-D566 PolarHBondContact NZ-OD1 2.94Å; K564-D566 IonicContact NZ-OD2 3.83Å; K564-D566 PolarHBondContact NZ-OD2 3.24Å; K564-K605 PolarHBondContact N-O 3.11Å; K564-K605 PolarHBondContact O-N 3.01Å; K564-L607 HydrophobicContact CB-CD1 4.24Å; K564-L607 HydrophobicContact CD-CD1 4.45Å; K564-L607 HydrophobicContact CD-CD2 4.32Å; K564-L607 HydrophobicContact CG-CD1 4.19Å; K564-L607 HydrophobicContact CG-CD2 4.11Å; K564-L607 HydrophobicContact CG-CG 4.24Å
565	A	94.2	Very high	91.7	Very high	14 Å²	14	39.2 Å²	39.2	12%	0.116	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.7	160.4	0	0	0	0	0	110.5	K521 L522 I567 L604	K521-A565 WeakPolarHBondContact CA-O 3.43Å; L522-A565 HydrophobicContact CB-CB 4.3Å; L522-A565 HydrophobicContact CD2-CB 4.38Å; L522-A565 PolarHBondContact N-O 3.35Å; L522-A565 PolarHBondContact O-N 3.42Å; A565-I567 HydrophobicContact CB-CD1 3.79Å; A565-L604 HydrophobicContact CB-CD2 4.06Å
566	D	93	Very high	92.4	Very high	96 Å²	96	39.6 Å²	39.6	51%	0.513	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.4	171.7	-66	-42.1	0	0	0	107.4	K564	K564-D566 IonicContact NZ-OD1 2.66Å; K564-D566 PolarHBondContact NZ-OD1 2.94Å; K564-D566 IonicContact NZ-OD2 3.83Å; K564-D566 PolarHBondContact NZ-OD2 3.24Å
567	I	93.5	Very high	93.1	Very high	22 Å²	22	44.8 Å²	44.8	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.2	-165	-52.8	-62.7	0	0	0	111.2	I520 L522 A565 F571 I600	I520-I567 HydrophobicContact CB-CB 4.28Å; I520-I567 HydrophobicContact CG2-CB 4.06Å; I520-I567 PolarHBondContact O-N 2.83Å; L522-I567 HydrophobicContact CB-CD1 4.08Å; L522-I567 HydrophobicContact CB-CG1 4Å; A565-I567 HydrophobicContact CB-CD1 3.79Å; I567-F571 HydrophobicContact CG2-CD1 4Å; I567-I600 HydrophobicContact CD1-CG1 4.25Å; I567-I600 HydrophobicContact CG2-CD1 4.5Å
568	N	93.2	Very high	93.4	Very high	81 Å²	81	47.2 Å²	47.2	43%	0.433	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-70.4	126.5	171	-178.8	10	0	0	0	110.4	E570 F571 Y572	N568-E570 PolarHBondContact ND2-OE2 3.31Å; N568-E570 PolarHBondContact O-N 2.97Å; N568-E570 PolarHBondContact OD1-N 3.2Å; N568-F571 HydrophobicContact CB-CB 4.34Å; N568-F571 PolarHBondContact O-N 2.75Å; N568-F571 VanDerWaalsContact O-N 3.11Å; N568-Y572 PolarHBondContact O-N 3.3Å
569	P	91.7	Very high	93.6	Very high	49 Å²	49	48.3 Å²	48.3	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-47.3	-41	174.6	-32.1	37.4	0	0	0	115.3	I520 F571 Y572 E573	I520-P569 HydrophobicContact CD1-CB 4.31Å; I520-P569 HydrophobicContact CD1-CG 4.29Å; P569-F571 PolarHBondContact O-N 2.99Å; P569-Y572 WeakPolarHBondContact O-CB 3.26Å; P569-Y572 PolarHBondContact O-N 2.98Å; P569-Y572 VanDerWaalsContact O-N 3.17Å; P569-E573 WeakPolarHBondContact O-CG 3.3Å; P569-E573 PolarHBondContact O-N 2.97Å
570	E	92.7	Very high	93.6	Very high	145 Å²	145	55.2 Å²	55.2	68%	0.678	26%	0.26	S	S	*	.	H	α-helix	trans	-62.5	-42.1	-179.4	-57	165.5	146.6	0	0	111.9	N568 E574	N568-E570 PolarHBondContact ND2-OE2 3.31Å; N568-E570 PolarHBondContact O-N 2.97Å; N568-E570 PolarHBondContact OD1-N 3.2Å; E570-E574 PolarHBondContact O-N 3.37Å
571	F	93.4	Very high	93.5	Very high	101 Å²	101	59.6 Å²	59.6	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-37.9	175.2	176.8	-92.3	0	0	0	111.5	I567 N568 P569 W575 I600	I567-F571 HydrophobicContact CG2-CD1 4Å; N568-F571 HydrophobicContact CB-CB 4.34Å; N568-F571 PolarHBondContact O-N 2.75Å; N568-F571 VanDerWaalsContact O-N 3.11Å; P569-F571 PolarHBondContact O-N 2.99Å; F571-W575 HydrophobicContact CE1-CB 4.47Å; F571-W575 VanDerWaalsContact O-CB 3.27Å; F571-W575 WeakPolarHBondContact O-CB 3.49Å; F571-W575 PolarHBondContact O-N 2.9Å; F571-I600 HydrophobicContact CE1-CB 4.4Å; F571-I600 HydrophobicContact CE1-CD1 4.14Å; F571-I600 HydrophobicContact CE1-CG1 4.09Å
572	Y	93.6	Very high	93.3	Very high	14 Å²	14	59.8 Å²	59.8	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-41.1	176.9	175.5	-93.9	0	0	0	112.3	L497 N498 I512 I520 N568 P569 W575 N576	L497-Y572 HydrophobicContact CB-CE1 4.48Å; L497-Y572 HydrophobicContact CB-CE2 4.28Å; L497-Y572 WeakPolarHBondContact CB-OH 3.41Å; L497-Y572 HydrophobicContact CD1-CD1 4.36Å; L497-Y572 HydrophobicContact CD1-CE1 3.99Å; L497-Y572 HydrophobicContact CD1-CE2 4.32Å; N498-Y572 PolarHBondContact OD1-OH 3.09Å; I512-Y572 HydrophobicContact CB-CE2 4.45Å; I512-Y572 HydrophobicContact CD1-CD2 4.36Å; I512-Y572 HydrophobicContact CD1-CE2 3.95Å; I512-Y572 HydrophobicContact CG2-CD2 3.97Å; I512-Y572 HydrophobicContact CG2-CE2 3.76Å; I520-Y572 HydrophobicContact CD1-CD1 3.72Å; I520-Y572 HydrophobicContact CD1-CG 3.7Å; I520-Y572 HydrophobicContact CG2-CD2 4.31Å; I520-Y572 HydrophobicContact CG2-CG 4.42Å; N568-Y572 PolarHBondContact O-N 3.3Å; P569-Y572 WeakPolarHBondContact O-CB 3.26Å; P569-Y572 PolarHBondContact O-N 2.98Å; P569-Y572 VanDerWaalsContact O-N 3.17Å; Y572-W575 HydrophobicContact CD2-CE3 4.18Å; Y572-W575 AromaticContact CE2-CE3 3.89Å; Y572-W575 HydrophobicContact CE2-CE3 3.89Å; Y572-W575 AromaticContact CE2-CZ3 3.92Å; Y572-W575 HydrophobicContact CE2-CZ3 3.92Å; Y572-W575 PolarHBondContact O-N 2.93Å; Y572-N576 HydrophobicContact CE1-CB 4.05Å; Y572-N576 HydrophobicContact CE2-CB 4.47Å; Y572-N576 WeakPolarHBondContact O-CB 3.34Å; Y572-N576 PolarHBondContact O-N 3.26Å
573	E	93.7	Very high	92.8	Very high	126 Å²	126	61.8 Å²	61.8	59%	0.589	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-44.9	-179.3	-75	172.2	-165	0	0	112	P569 N576 R577	P569-E573 WeakPolarHBondContact O-CG 3.3Å; P569-E573 PolarHBondContact O-N 2.97Å; E573-N576 PolarHBondContact O-N 2.65Å; E573-R577 PolarHBondContact O-N 3Å
574	E	93.6	Very high	92.5	Very high	78 Å²	78	66.5 Å²	66.5	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-41.7	174.5	171.6	54.3	-162.5	0	0	112.4	E570 N576 R577 Q578	E570-E574 PolarHBondContact O-N 3.37Å; E574-N576 VanDerWaalsContact C-N 3.34Å; E574-N576 PolarHBondContact O-N 2.73Å; E574-R577 VanDerWaalsContact CD-NH2 3.26Å; E574-R577 WeakPolarHBondContact O-CB 3.47Å; E574-R577 PolarHBondContact O-N 2.76Å; E574-R577 IonicContact OE1-CZ 3.29Å; E574-R577 IonicContact OE1-NE 2.81Å; E574-R577 IonicContact OE1-NH2 3.22Å; E574-R577 PolarHBondContact OE1-NH2 3.48Å; E574-R577 IonicContact OE2-CZ 2.72Å; E574-R577 IonicContact OE2-NE 2.79Å; E574-R577 PolarHBondContact OE2-NE 2.84Å; E574-R577 IonicContact OE2-NH2 2.63Å; E574-R577 PolarHBondContact OE2-NH2 3.04Å; E574-Q578 PolarHBondContact O-N 2.73Å; E574-Q578 PolarHBondContact OE1-NE2 3.02Å
575	W	95.4	Very high	92.2	Very high	4 Å²	4	67 Å²	67	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-42.4	173.9	175.7	84.5	0	0	0	112	N498 L500 I512 F571 Y572 R577 Q578 H579 V596 I600	N498-W575 HydrophobicContact CB-CH2 4.09Å; N498-W575 HydrophobicContact CB-CZ3 4.01Å; N498-W575 VanDerWaalsContact ND2-CZ3 3.31Å; N498-W575 WeakPolarHBondContact ND2-CZ3 3.39Å; L500-W575 HydrophobicContact CD1-CH2 4.45Å; L500-W575 HydrophobicContact CD1-CZ2 4.16Å; L500-W575 HydrophobicContact CD2-CH2 4.05Å; L500-W575 HydrophobicContact CD2-CZ2 4.04Å; I512-W575 HydrophobicContact CD1-CE3 4.12Å; I512-W575 HydrophobicContact CD1-CH2 3.7Å; I512-W575 HydrophobicContact CD1-CZ2 4.42Å; I512-W575 HydrophobicContact CD1-CZ3 3.52Å; F571-W575 HydrophobicContact CE1-CB 4.47Å; F571-W575 VanDerWaalsContact O-CB 3.27Å; F571-W575 WeakPolarHBondContact O-CB 3.49Å; F571-W575 PolarHBondContact O-N 2.9Å; Y572-W575 HydrophobicContact CD2-CE3 4.18Å; Y572-W575 AromaticContact CE2-CE3 3.89Å; Y572-W575 HydrophobicContact CE2-CE3 3.89Å; Y572-W575 AromaticContact CE2-CZ3 3.92Å; Y572-W575 HydrophobicContact CE2-CZ3 3.92Å; Y572-W575 PolarHBondContact O-N 2.93Å; W575-R577 VanDerWaalsContact C-N 3.31Å; W575-R577 PolarHBondContact O-N 2.77Å; W575-Q578 PolarHBondContact O-N 3.07Å; W575-H579 HydrophobicContact CE3-CB 4.49Å; W575-H579 HydrophobicContact CH2-CB 4.1Å; W575-H579 AromaticContact CH2-CD2 3.52Å; W575-H579 AromaticContact CH2-CG 3.85Å; W575-H579 HydrophobicContact CZ2-CB 4.19Å; W575-H579 AromaticContact CZ2-CD2 3.64Å; W575-H579 HydrophobicContact CZ3-CB 4.25Å; W575-H579 WeakPolarHBondContact O-CB 3.22Å; W575-H579 PolarHBondContact O-N 2.88Å; W575-V596 HydrophobicContact CZ2-CG1 4.21Å; W575-V596 PolarHBondContact NE1-O 2.98Å; W575-I600 HydrophobicContact CB-CD1 4.49Å; W575-I600 HydrophobicContact CD2-CB 4.28Å; W575-I600 HydrophobicContact CD2-CD1 3.72Å; W575-I600 HydrophobicContact CD2-CG2 4.28Å; W575-I600 HydrophobicContact CE3-CD1 3.97Å; W575-I600 HydrophobicContact CG-CB 4.24Å; W575-I600 HydrophobicContact CG-CD1 3.92Å; W575-I600 HydrophobicContact CZ2-CG2 3.69Å
576	N	93.4	Very high	91.8	Very high	54 Å²	54	74.8 Å²	74.8	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-31.4	179.9	-172.5	46	0	0	0	112.1	N498 Y572 E573 E574 H579 Y580	N498-N576 PolarHBondContact ND2-OD1 3.08Å; N498-N576 PolarHBondContact OD1-OD1 3.41Å; Y572-N576 HydrophobicContact CE1-CB 4.05Å; Y572-N576 HydrophobicContact CE2-CB 4.47Å; Y572-N576 WeakPolarHBondContact O-CB 3.34Å; Y572-N576 PolarHBondContact O-N 3.26Å; E573-N576 PolarHBondContact O-N 2.65Å; E574-N576 VanDerWaalsContact C-N 3.34Å; E574-N576 PolarHBondContact O-N 2.73Å; N576-H579 PolarHBondContact O-N 2.7Å; N576-Y580 WeakPolarHBondContact O-CB 3.3Å; N576-Y580 PolarHBondContact O-N 3.42Å
577	R	93.7	Very high	91.6	Very high	114 Å²	114	77.2 Å²	77.2	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-50.2	169.8	-174	-176.7	67.8	81	-3	111.1	E573 E574 W575 H579 Y580 E581	E573-R577 PolarHBondContact O-N 3Å; E574-R577 VanDerWaalsContact CD-NH2 3.26Å; E574-R577 WeakPolarHBondContact O-CB 3.47Å; E574-R577 PolarHBondContact O-N 2.76Å; E574-R577 IonicContact OE1-CZ 3.29Å; E574-R577 IonicContact OE1-NE 2.81Å; E574-R577 IonicContact OE1-NH2 3.22Å; E574-R577 PolarHBondContact OE1-NH2 3.48Å; E574-R577 IonicContact OE2-CZ 2.72Å; E574-R577 IonicContact OE2-NE 2.79Å; E574-R577 PolarHBondContact OE2-NE 2.84Å; E574-R577 IonicContact OE2-NH2 2.63Å; E574-R577 PolarHBondContact OE2-NH2 3.04Å; W575-R577 VanDerWaalsContact C-N 3.31Å; W575-R577 PolarHBondContact O-N 2.77Å; R577-H579 VanDerWaalsContact C-N 3.32Å; R577-H579 PolarHBondContact O-N 3.03Å; R577-Y580 PolarHBondContact O-N 3.36Å; R577-E581 WeakPolarHBondContact CG-OE1 3.31Å; R577-E581 IonicContact CZ-OE1 2.8Å; R577-E581 IonicContact NH1-OE1 3.72Å; R577-E581 PolarHBondContact NH1-OE1 2.83Å; R577-E581 IonicContact NH1-OE2 3.64Å; R577-E581 PolarHBondContact NH1-OE2 3.08Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 3.46Å
578	Q	93.6	Very high	91.2	Very high	60 Å²	60	81.9 Å²	81.9	28%	0.28	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-37.3	176.8	-63.3	178.8	23.5	0	0	112.2	E574 W575 E581 A582 V596	E574-Q578 PolarHBondContact O-N 2.73Å; E574-Q578 PolarHBondContact OE1-NE2 3.02Å; W575-Q578 PolarHBondContact O-N 3.07Å; Q578-E581 PolarHBondContact O-N 2.88Å; Q578-A582 WeakPolarHBondContact O-CB 3.44Å; Q578-A582 PolarHBondContact O-N 3.37Å; Q578-V596 HydrophobicContact CB-CG1 4.38Å; Q578-V596 HydrophobicContact CB-CG2 4.32Å
579	H	91.8	Very high	90.8	Very high	29 Å²	29	84 Å²	84	13%	0.134	40%	0.401	C	S	.	.	H	α-helix	trans	-65.5	-38.9	175.3	-177.6	-83.9	0	0	0	112.3	N498 W575 N576 R577 A582 S583 V596	N498-H579 PolarHBondContact ND2-ND1 2.76Å; W575-H579 HydrophobicContact CE3-CB 4.49Å; W575-H579 HydrophobicContact CH2-CB 4.1Å; W575-H579 AromaticContact CH2-CD2 3.52Å; W575-H579 AromaticContact CH2-CG 3.85Å; W575-H579 HydrophobicContact CZ2-CB 4.19Å; W575-H579 AromaticContact CZ2-CD2 3.64Å; W575-H579 HydrophobicContact CZ3-CB 4.25Å; W575-H579 WeakPolarHBondContact O-CB 3.22Å; W575-H579 PolarHBondContact O-N 2.88Å; N576-H579 PolarHBondContact O-N 2.7Å; R577-H579 VanDerWaalsContact C-N 3.32Å; R577-H579 PolarHBondContact O-N 3.03Å; H579-A582 PolarHBondContact O-N 2.99Å; H579-S583 WeakPolarHBondContact O-CB 3.44Å; H579-S583 PolarHBondContact O-N 3.36Å; H579-V596 HydrophobicContact CB-CG1 3.93Å
580	Y	91.6	Very high	90.4	Very high	146 Å²	146	88.7 Å²	88.7	57%	0.573	42%	0.418	S	S	*	.	H	α-helix	trans	-66.7	-44.6	173.8	-178.7	-99.8	0	0	0	111.9	N576 R577 A582 S583 I584	N576-Y580 WeakPolarHBondContact O-CB 3.3Å; N576-Y580 PolarHBondContact O-N 3.42Å; R577-Y580 PolarHBondContact O-N 3.36Å; Y580-A582 VanDerWaalsContact C-N 3.26Å; Y580-A582 PolarHBondContact O-N 2.93Å; Y580-S583 PolarHBondContact O-N 2.92Å; Y580-S583 PolarHBondContact O-OG 3.09Å; Y580-S583 VanDerWaalsContact O-OG 3.09Å; Y580-I584 HydrophobicContact CD1-CD1 4.36Å; Y580-I584 HydrophobicContact CE1-CD1 3.98Å; Y580-I584 HydrophobicContact CE1-CG2 4.31Å; Y580-I584 HydrophobicContact CE2-CG2 4.1Å; Y580-I584 WeakPolarHBondContact O-CG1 3.18Å; Y580-I584 PolarHBondContact O-N 3.5Å; Y580-I584 VanDerWaalsContact O-N 3.16Å
581	E	91.4	Very high	90.1	Very high	95 Å²	95	85 Å²	85	44%	0.444	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-34.9	174.7	-73.1	168.4	-161	0	0	112.3	R577 Q578	R577-E581 WeakPolarHBondContact CG-OE1 3.31Å; R577-E581 IonicContact CZ-OE1 2.8Å; R577-E581 IonicContact NH1-OE1 3.72Å; R577-E581 PolarHBondContact NH1-OE1 2.83Å; R577-E581 IonicContact NH1-OE2 3.64Å; R577-E581 PolarHBondContact NH1-OE2 3.08Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 3.46Å; Q578-E581 PolarHBondContact O-N 2.88Å
582	A	89.6	Confident	90	Very high	5 Å²	5	83.7 Å²	83.7	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-71.1	-41.9	172.7	0	0	0	0	0	112.9	Q578 H579 Y580 I584 S585 K592 L593 V596	Q578-A582 WeakPolarHBondContact O-CB 3.44Å; Q578-A582 PolarHBondContact O-N 3.37Å; H579-A582 PolarHBondContact O-N 2.99Å; Y580-A582 VanDerWaalsContact C-N 3.26Å; Y580-A582 PolarHBondContact O-N 2.93Å; A582-I584 PolarHBondContact O-N 3.16Å; A582-S585 VanDerWaalsContact O-CB 3.28Å; A582-S585 WeakPolarHBondContact O-CB 3.45Å; A582-S585 PolarHBondContact O-N 3.21Å; A582-K592 HydrophobicContact CB-CB 3.96Å; A582-L593 HydrophobicContact CB-CD2 3.88Å; A582-L593 HydrophobicContact CB-CG 4.19Å; A582-V596 HydrophobicContact CB-CG2 4.22Å
583	S	85.7	Confident	89.8	Confident	45 Å²	45	85.2 Å²	85.2	32%	0.315	42%	0.415	S	S	.	.	H	α-helix	trans	-70.7	-30.7	-175	74.6	0	0	0	0	113.7	H579 Y580 S585 R589	H579-S583 WeakPolarHBondContact O-CB 3.44Å; H579-S583 PolarHBondContact O-N 3.36Å; Y580-S583 PolarHBondContact O-N 2.92Å; Y580-S583 PolarHBondContact O-OG 3.09Å; Y580-S583 VanDerWaalsContact O-OG 3.09Å; S583-S585 VanDerWaalsContact C-N 3.31Å; S583-R589 WeakPolarHBondContact O-CD 3.22Å
584	I	89.8	Confident	89.5	Confident	99 Å²	99	81.2 Å²	81.2	51%	0.508	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.3	174	70.5	-178.5	0	0	0	113.6	Y580 A582 L586	Y580-I584 HydrophobicContact CD1-CD1 4.36Å; Y580-I584 HydrophobicContact CE1-CD1 3.98Å; Y580-I584 HydrophobicContact CE1-CG2 4.31Å; Y580-I584 HydrophobicContact CE2-CG2 4.1Å; Y580-I584 WeakPolarHBondContact O-CG1 3.18Å; Y580-I584 PolarHBondContact O-N 3.5Å; Y580-I584 VanDerWaalsContact O-N 3.16Å; A582-I584 PolarHBondContact O-N 3.16Å; I584-L586 PolarHBondContact O-N 3.14Å
585	S	88.6	Confident	89.4	Confident	29 Å²	29	80.4 Å²	80.4	20%	0.203	41%	0.411	C	S	.	.			trans	-71.9	125.7	-177.1	-135.3	0	0	0	0	111.6	A582 S583 R589 K592	A582-S585 VanDerWaalsContact O-CB 3.28Å; A582-S585 WeakPolarHBondContact O-CB 3.45Å; A582-S585 PolarHBondContact O-N 3.21Å; S583-S585 VanDerWaalsContact C-N 3.31Å; S585-R589 VanDerWaalsContact O-CB 3.29Å; S585-R589 WeakPolarHBondContact O-CB 3.42Å; S585-R589 WeakPolarHBondContact O-CD 3.39Å; S585-R589 WeakPolarHBondContact O-CG 3.39Å; S585-K592 PolarHBondContact OG-NZ 3.22Å
586	L	85.6	Confident	89.3	Confident	179 Å²	179	80.9 Å²	80.9	94%	0.937	41%	0.414	S	S	*	.	S	Bend	trans	-80.2	-17.4	176.7	-65.5	174.9	0	0	0	113.6	I584	I584-L586 PolarHBondContact O-N 3.14Å
587	Q	87.9	Confident	89.2	Confident	146 Å²	146	78.4 Å²	78.4	68%	0.682	40%	0.401	S	S	*	.	S	Bend	trans	-113.3	134.9	179.4	-68.9	173.8	-21.5	0	0	109.1	R589 K592	Q587-R589 PolarHBondContact O-N 2.69Å; Q587-K592 WeakPolarHBondContact O-CE 3.06Å; Q587-K592 PolarHBondContact O-NZ 3.31Å
588	D	84.7	Confident	89.1	Confident	121 Å²	121	75.6 Å²	75.6	65%	0.647	39%	0.393	S	S	*	.	S	Bend	trans	50.6	32.3	173.8	-45.8	-41.9	0	0	0	114.5	E590 A591 K592	D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.42Å; D588-A591 HydrophobicContact CB-CB 4.44Å; D588-A591 PolarHBondContact O-N 3.28Å; D588-K592 WeakPolarHBondContact O-CG 3.47Å; D588-K592 PolarHBondContact O-N 3.37Å
589	R	85.5	Confident	89	Confident	126 Å²	126	76.4 Å²	76.4	48%	0.475	40%	0.399	S	S	.	.	H	α-helix	trans	-52.4	-46.6	-172.5	-166.8	-179.2	61.7	159.3	-0.7	112.6	S583 S585 Q587 K592 L593	S583-R589 WeakPolarHBondContact O-CD 3.22Å; S585-R589 VanDerWaalsContact O-CB 3.29Å; S585-R589 WeakPolarHBondContact O-CB 3.42Å; S585-R589 WeakPolarHBondContact O-CD 3.39Å; S585-R589 WeakPolarHBondContact O-CG 3.39Å; Q587-R589 PolarHBondContact O-N 2.69Å; R589-K592 PolarHBondContact O-N 3.17Å; R589-L593 HydrophobicContact CG-CD1 4.04Å; R589-L593 WeakPolarHBondContact O-CB 3.29Å; R589-L593 VanDerWaalsContact O-CG 3.28Å; R589-L593 WeakPolarHBondContact O-CG 3.36Å; R589-L593 PolarHBondContact O-N 2.97Å
590	E	82.5	Confident	89.1	Confident	146 Å²	146	75.2 Å²	75.2	68%	0.682	39%	0.393	S	S	*	.	H	α-helix	trans	-69.1	-41.5	-177.4	-73.2	157.8	-156.4	0	0	111.9	D588 L593 A594	D588-E590 VanDerWaalsContact C-N 3.3Å; D588-E590 PolarHBondContact O-N 3.42Å; E590-L593 PolarHBondContact O-N 2.97Å; E590-A594 VanDerWaalsContact O-CB 3.31Å; E590-A594 WeakPolarHBondContact O-CB 3.3Å; E590-A594 PolarHBondContact O-N 2.82Å
591	A	88	Confident	89.2	Confident	67 Å²	67	68.3 Å²	68.3	55%	0.554	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-39.4	174.5	0	0	0	0	0	112	D588 A595	D588-A591 HydrophobicContact CB-CB 4.44Å; D588-A591 PolarHBondContact O-N 3.28Å; A591-A595 WeakPolarHBondContact O-CB 3.32Å; A591-A595 PolarHBondContact O-N 2.69Å
592	K	90.6	Very high	89.2	Confident	75 Å²	75	68.6 Å²	68.6	33%	0.326	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-45.1	175	-72.1	166.8	178.8	163.2	0	112	A582 S585 Q587 D588 R589 A595 V596	A582-K592 HydrophobicContact CB-CB 3.96Å; S585-K592 PolarHBondContact OG-NZ 3.22Å; Q587-K592 WeakPolarHBondContact O-CE 3.06Å; Q587-K592 PolarHBondContact O-NZ 3.31Å; D588-K592 WeakPolarHBondContact O-CG 3.47Å; D588-K592 PolarHBondContact O-N 3.37Å; R589-K592 PolarHBondContact O-N 3.17Å; K592-A595 PolarHBondContact O-N 3.25Å; K592-V596 WeakPolarHBondContact O-CG2 3.38Å; K592-V596 PolarHBondContact O-N 3.13Å
593	L	89	Confident	89.2	Confident	45 Å²	45	74.1 Å²	74.1	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-41.9	175.6	-74.6	168.9	0	0	0	111.8	A582 R589 E590 V596 A597	A582-L593 HydrophobicContact CB-CD2 3.88Å; A582-L593 HydrophobicContact CB-CG 4.19Å; R589-L593 HydrophobicContact CG-CD1 4.04Å; R589-L593 WeakPolarHBondContact O-CB 3.29Å; R589-L593 VanDerWaalsContact O-CG 3.28Å; R589-L593 WeakPolarHBondContact O-CG 3.36Å; R589-L593 PolarHBondContact O-N 2.97Å; E590-L593 PolarHBondContact O-N 2.97Å; L593-V596 PolarHBondContact O-N 3.4Å; L593-A597 WeakPolarHBondContact O-CB 3.3Å; L593-A597 PolarHBondContact O-N 3.38Å
594	A	88.1	Confident	89.6	Confident	43 Å²	43	72 Å²	72	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.8	0	0	0	0	0	112.2	E590 A597 E598	E590-A594 VanDerWaalsContact O-CB 3.31Å; E590-A594 WeakPolarHBondContact O-CB 3.3Å; E590-A594 PolarHBondContact O-N 2.82Å; A594-A597 PolarHBondContact O-N 3.39Å; A594-E598 PolarHBondContact O-N 3.24Å
595	A	91.3	Very high	89.8	Confident	60 Å²	60	72.7 Å²	72.7	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176.4	0	0	0	0	0	112.4	A591 K592 E598 L599	A591-A595 WeakPolarHBondContact O-CB 3.32Å; A591-A595 PolarHBondContact O-N 2.69Å; K592-A595 PolarHBondContact O-N 3.25Å; A595-E598 PolarHBondContact O-N 2.64Å; A595-L599 PolarHBondContact O-N 3.44Å
596	V	92.8	Very high	90.1	Very high	15 Å²	15	71.5 Å²	71.5	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-69.7	-36.7	176.6	173.5	0	0	0	0	111.8	W575 Q578 H579 A582 K592 L593 E598 L599	W575-V596 HydrophobicContact CZ2-CG1 4.21Å; W575-V596 PolarHBondContact NE1-O 2.98Å; Q578-V596 HydrophobicContact CB-CG1 4.38Å; Q578-V596 HydrophobicContact CB-CG2 4.32Å; H579-V596 HydrophobicContact CB-CG1 3.93Å; A582-V596 HydrophobicContact CB-CG2 4.22Å; K592-V596 WeakPolarHBondContact O-CG2 3.38Å; K592-V596 PolarHBondContact O-N 3.13Å; L593-V596 PolarHBondContact O-N 3.4Å; V596-E598 VanDerWaalsContact C-N 3.33Å; V596-E598 PolarHBondContact O-N 3Å; V596-L599 WeakPolarHBondContact O-CB 3.43Å; V596-L599 PolarHBondContact O-N 3.06Å; V596-L599 VanDerWaalsContact O-N 3.14Å
597	A	91.8	Very high	90.5	Very high	2 Å²	2	63.2 Å²	63.2	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-42.3	173.1	0	0	0	0	0	112	L500 L593 A594 L599 I600 E601	L500-A597 HydrophobicContact CD1-CB 4Å; L500-A597 HydrophobicContact CD2-CB 4.18Å; L593-A597 WeakPolarHBondContact O-CB 3.3Å; L593-A597 PolarHBondContact O-N 3.38Å; A594-A597 PolarHBondContact O-N 3.39Å; A597-L599 PolarHBondContact O-N 2.9Å; A597-L599 VanDerWaalsContact O-N 3.15Å; A597-I600 WeakPolarHBondContact O-CG2 3.43Å; A597-I600 PolarHBondContact O-N 2.75Å; A597-E601 WeakPolarHBondContact O-CG 3.25Å; A597-E601 PolarHBondContact O-N 2.98Å
598	E	91.1	Very high	90.8	Very high	54 Å²	54	56.3 Å²	56.3	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-11.3	176.8	-163.9	64.8	-123.5	0	0	113.7	R508 R534 A594 A595 V596 K602	R508-E598 IonicContact CZ-OE2 3.56Å; R508-E598 IonicContact NH1-OE2 3.29Å; R508-E598 IonicContact NH2-OE1 3.49Å; R508-E598 IonicContact NH2-OE2 2.72Å; R508-E598 PolarHBondContact NH2-OE2 3.42Å; R534-E598 IonicContact CZ-OE1 3.98Å; R534-E598 VanDerWaalsContact CZ-OE1 3.29Å; R534-E598 IonicContact CZ-OE2 2.69Å; R534-E598 IonicContact NE-OE1 3.87Å; R534-E598 PolarHBondContact NE-OE1 3.48Å; R534-E598 IonicContact NE-OE2 2.81Å; R534-E598 PolarHBondContact NE-OE2 3.05Å; R534-E598 VanDerWaalsContact NH2-CD 3.32Å; R534-E598 IonicContact NH2-OE1 3.41Å; R534-E598 PolarHBondContact NH2-OE1 3.44Å; R534-E598 VanDerWaalsContact NH2-OE1 3.08Å; R534-E598 IonicContact NH2-OE2 3.85Å; R534-E598 PolarHBondContact NH2-OE2 3.43Å; A594-E598 PolarHBondContact O-N 3.24Å; A595-E598 PolarHBondContact O-N 2.64Å; V596-E598 VanDerWaalsContact C-N 3.33Å; V596-E598 PolarHBondContact O-N 3Å; E598-K602 WeakPolarHBondContact O-CE 3.18Å; E598-K602 PolarHBondContact O-NZ 3.48Å
599	L	92.3	Very high	91.3	Very high	78 Å²	78	50.5 Å²	50.5	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-80.4	-33.5	173.2	-64.3	178.8	0	0	0	113.4	A595 V596 A597	A595-L599 PolarHBondContact O-N 3.44Å; V596-L599 WeakPolarHBondContact O-CB 3.43Å; V596-L599 PolarHBondContact O-N 3.06Å; V596-L599 VanDerWaalsContact O-N 3.14Å; A597-L599 PolarHBondContact O-N 2.9Å; A597-L599 VanDerWaalsContact O-N 3.15Å
600	I	93.8	Very high	91.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-95.7	-23	-177.6	-168	151.3	0	0	0	112.9	L500 I512 L522 I567 F571 W575 A597 K602	L500-I600 HydrophobicContact CD1-CG2 3.99Å; I512-I600 HydrophobicContact CD1-CD1 3.69Å; L522-I600 HydrophobicContact CD2-CG1 4.4Å; L522-I600 VanDerWaalsContact CD2-O 3.29Å; L522-I600 WeakPolarHBondContact CD2-O 3.45Å; I567-I600 HydrophobicContact CD1-CG1 4.25Å; I567-I600 HydrophobicContact CG2-CD1 4.5Å; F571-I600 HydrophobicContact CE1-CB 4.4Å; F571-I600 HydrophobicContact CE1-CD1 4.14Å; F571-I600 HydrophobicContact CE1-CG1 4.09Å; W575-I600 HydrophobicContact CB-CD1 4.49Å; W575-I600 HydrophobicContact CD2-CB 4.28Å; W575-I600 HydrophobicContact CD2-CD1 3.72Å; W575-I600 HydrophobicContact CD2-CG2 4.28Å; W575-I600 HydrophobicContact CE3-CD1 3.97Å; W575-I600 HydrophobicContact CG-CB 4.24Å; W575-I600 HydrophobicContact CG-CD1 3.92Å; W575-I600 HydrophobicContact CZ2-CG2 3.69Å; A597-I600 WeakPolarHBondContact O-CG2 3.43Å; A597-I600 PolarHBondContact O-N 2.75Å; I600-K602 PolarHBondContact O-N 3.43Å
601	E	93.4	Very high	92.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-84.2	46.4	-178.9	-63.8	177.7	140.7	0	0	113	L500 R506 R508 S510 L522 R534 A597	L500-E601 HydrophobicContact CD1-CG 4.33Å; R506-E601 IonicContact CZ-OE1 2.74Å; R506-E601 IonicContact CZ-OE2 3.73Å; R506-E601 IonicContact NH2-OE1 3.28Å; R506-E601 PolarHBondContact NH2-OE1 2.9Å; R506-E601 IonicContact NH2-OE2 3.92Å; R506-E601 PolarHBondContact NH2-OE2 3.2Å; R508-E601 IonicContact CZ-OE2 3.4Å; R508-E601 IonicContact NE-OE1 3.96Å; R508-E601 IonicContact NE-OE2 2.77Å; R508-E601 PolarHBondContact NE-OE2 3.16Å; R508-E601 IonicContact NH2-OE2 3.35Å; R508-E601 PolarHBondContact NH2-OE2 3.39Å; S510-E601 VanDerWaalsContact CB-OE1 3.27Å; S510-E601 WeakPolarHBondContact CB-OE1 3.36Å; S510-E601 PolarHBondContact OG-OE1 3.23Å; L522-E601 HydrophobicContact CD2-CG 4.35Å; R534-E601 WeakPolarHBondContact CB-O 3.17Å; R534-E601 WeakPolarHBondContact CD-O 3.22Å; R534-E601 WeakPolarHBondContact CG-O 3.19Å; A597-E601 WeakPolarHBondContact O-CG 3.25Å; A597-E601 PolarHBondContact O-N 2.98Å
602	K	90.3	Very high	92.4	Very high	101 Å²	101	34.4 Å²	34.4	44%	0.439	18%	0.183	S	C	.	.			trans	-124.9	162.5	-177.6	-74.5	176.6	173.7	162	0	112.2	E598 I600 L604	E598-K602 WeakPolarHBondContact O-CE 3.18Å; E598-K602 PolarHBondContact O-NZ 3.48Å; I600-K602 PolarHBondContact O-N 3.43Å; K602-L604 PolarHBondContact O-N 2.95Å; K602-L604 VanDerWaalsContact O-N 3.14Å
603	D	91.3	Very high	92.3	Very high	122 Å²	122	32.9 Å²	32.9	65%	0.652	18%	0.177	S	C	*	.	S	Bend	trans	50.2	36.6	-179.1	-69.4	-62.5	0	0	0	113.6	R534 A536	R534-D603 PolarHBondContact O-N 3.32Å; A536-D603 HydrophobicContact CB-CB 4.08Å
604	L	93.6	Very high	92.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-66.5	148.6	-176.3	-57.6	179.5	0	0	0	111.2	L522 T524 R534 L535 A536 Q539 A563 A565 K602	L522-L604 HydrophobicContact CD2-CD2 3.68Å; T524-L604 HydrophobicContact CG2-CD1 3.98Å; R534-L604 HydrophobicContact CB-CD1 3.91Å; R534-L604 HydrophobicContact CB-CG 4.37Å; R534-L604 WeakPolarHBondContact O-CB 3.4Å; R534-L604 WeakPolarHBondContact O-CG 3.49Å; R534-L604 PolarHBondContact O-N 3.38Å; L535-L604 CarbonylContact C-O 3.59Å; L535-L604 VanDerWaalsContact CA-O 3.3Å; L535-L604 WeakPolarHBondContact CA-O 3.5Å; L535-L604 HydrophobicContact CD2-CB 4.1Å; L535-L604 WeakPolarHBondContact CD2-O 3.47Å; A536-L604 PolarHBondContact N-O 2.84Å; Q539-L604 PolarHBondContact NE2-O 2.91Å; A563-L604 HydrophobicContact CB-CB 4.06Å; A563-L604 HydrophobicContact CB-CD1 4.38Å; A565-L604 HydrophobicContact CB-CD2 4.06Å; K602-L604 PolarHBondContact O-N 2.95Å; K602-L604 VanDerWaalsContact O-N 3.14Å
605	K	93.9	Very high	92.2	Very high	114 Å²	114	30.5 Å²	30.5	50%	0.496	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.3	173	-174.2	173.9	-173.4	172.8	0	110.3	A563 K564 L607	A563-K605 CarbonylContact C-O 3.58Å; A563-K605 VanDerWaalsContact CA-O 3.25Å; A563-K605 WeakPolarHBondContact CA-O 3.42Å; A563-K605 WeakPolarHBondContact CB-O 3.31Å; K564-K605 PolarHBondContact N-O 3.11Å; K564-K605 PolarHBondContact O-N 3.01Å; K605-L607 PolarHBondContact O-N 2.93Å
606	L	94.6	Very high	92.2	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.9	176.7	-172	65.7	0	0	0	110	L535 T545	L535-L606 HydrophobicContact CD1-CB 4.13Å; L535-L606 HydrophobicContact CD1-CD2 4.39Å; L535-L606 HydrophobicContact CD2-CB 3.84Å; T545-L606 HydrophobicContact CG2-CD2 4.33Å
607	L	94	Very high	92.1	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-38.8	171	-61.1	176.6	0	0	0	110.6	A396 V426 E429 F430 M433 M562 K564 K605	A396-L607 PolarHBondContact N-O 3.03Å; A396-L607 VanDerWaalsContact N-O 3.14Å; V426-L607 HydrophobicContact CG1-CB 4.27Å; V426-L607 HydrophobicContact CG1-CD2 3.99Å; V426-L607 WeakPolarHBondContact CG1-O 3.16Å; E429-L607 HydrophobicContact CB-CD1 4.3Å; E429-L607 HydrophobicContact CB-CD2 4.24Å; F430-L607 HydrophobicContact CD2-CB 3.97Å; M433-L607 HydrophobicContact SD-CD1 3.96Å; M562-L607 WeakPolarHBondContact O-CB 3.3Å; M562-L607 PolarHBondContact O-N 3.17Å; K564-L607 HydrophobicContact CB-CD1 4.24Å; K564-L607 HydrophobicContact CD-CD1 4.45Å; K564-L607 HydrophobicContact CD-CD2 4.32Å; K564-L607 HydrophobicContact CG-CD1 4.19Å; K564-L607 HydrophobicContact CG-CD2 4.11Å; K564-L607 HydrophobicContact CG-CG 4.24Å; K605-L607 PolarHBondContact O-N 2.93Å
608	G	94.5	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-159.2	-176.9	0	0	0	0	0	113.5	S394 M562	S394-G608 CarbonylContact O-C 3.56Å; S394-G608 WeakPolarHBondContact O-CA 3.3Å; M562-G608 PolarHBondContact N-O 3.03Å; M562-G608 PolarHBondContact O-N 3.41Å
609	A	94.9	Very high	92	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.6	173.1	0	0	0	0	0	111.8	C393 S394 T545 L549 L560	C393-A609 CarbonylContact C-O 3.56Å; C393-A609 WeakPolarHBondContact CA-O 3.39Å; C393-A609 WeakPolarHBondContact CB-O 3.34Å; S394-A609 PolarHBondContact N-O 3.4Å; S394-A609 PolarHBondContact O-N 3.44Å; T545-A609 HydrophobicContact CG2-CB 3.8Å; L549-A609 HydrophobicContact CD2-CB 3.75Å; L549-A609 HydrophobicContact CG-CB 4.26Å; L560-A609 CarbonylContact O-C 3.51Å; L560-A609 WeakPolarHBondContact O-CA 3.37Å; L560-A609 WeakPolarHBondContact O-CB 3.22Å
610	T	94.5	Very high	92.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.9	175.3	58	0	0	0	0	111.2	F390 F430 M434 L464 T559 L560 M562	F390-T610 HydrophobicContact CE2-CG2 3.87Å; F430-T610 HydrophobicContact CE1-CG2 4.01Å; F430-T610 HydrophobicContact CE2-CG2 4.41Å; F430-T610 HydrophobicContact CZ-CG2 3.49Å; F430-T610 VanDerWaalsContact CZ-CG2 3.49Å; M434-T610 HydrophobicContact SD-CG2 4.38Å; L464-T610 HydrophobicContact CD2-CG2 3.73Å; T559-T610 WeakPolarHBondContact CA-O 3.44Å; L560-T610 PolarHBondContact N-O 2.97Å; L560-T610 PolarHBondContact O-N 2.74Å; M562-T610 HydrophobicContact CE-CG2 3.6Å; M562-T610 HydrophobicContact CG-CG2 4.16Å
611	A	92.5	Very high	92	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.5	170.2	0	0	0	0	0	110.2	K391 R392 F552 Y557 R558	K391-A611 PolarHBondContact N-O 2.88Å; R392-A611 HydrophobicContact CB-CB 4.11Å; R392-A611 PolarHBondContact N-O 3.33Å; R392-A611 WeakPolarHBondContact O-CA 3.32Å; R392-A611 WeakPolarHBondContact O-CB 3.36Å; R392-A611 PolarHBondContact O-N 3.36Å; F552-A611 HydrophobicContact CB-CB 4.1Å; F552-A611 HydrophobicContact CD1-CB 4.27Å; F552-A611 HydrophobicContact CD2-CB 3.73Å; F552-A611 HydrophobicContact CE2-CB 4.17Å; F552-A611 HydrophobicContact CG-CB 3.78Å; Y557-A611 HydrophobicContact CD2-CB 4.07Å; Y557-A611 HydrophobicContact CG-CB 4.22Å; R558-A611 WeakPolarHBondContact O-CA 3.38Å
612	I	91.2	Very high	92	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.4	-179.4	-58.2	172.5	0	0	0	108.5	M388 V389 D460 A463 L464 R558 L560	M388-I612 HydrophobicContact CB-CG2 3.9Å; V389-I612 CarbonylContact O-C 3.59Å; V389-I612 WeakPolarHBondContact O-CA 3.37Å; D460-I612 HydrophobicContact CB-CD1 3.96Å; A463-I612 HydrophobicContact CB-CG2 4.01Å; L464-I612 HydrophobicContact CD2-CD1 4.05Å; L464-I612 HydrophobicContact CD2-CG1 4.49Å; L464-I612 HydrophobicContact CG-CD1 4.01Å; R558-I612 HydrophobicContact CB-CB 4.32Å; R558-I612 PolarHBondContact N-O 3.12Å; R558-I612 PolarHBondContact O-N 3.35Å; L560-I612 HydrophobicContact CD1-CD1 4.34Å
613	E	89.2	Confident	92.2	Very high	43 Å²	43	28.4 Å²	28.4	20%	0.201	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.5	175.7	-169.4	178.1	148	0	0	109.8	M388 V389 K391 Y557 K615	M388-E613 WeakPolarHBondContact CA-O 3.22Å; V389-E613 PolarHBondContact N-O 2.99Å; V389-E613 PolarHBondContact O-N 3.43Å; K391-E613 HydrophobicContact CB-CB 4.01Å; K391-E613 HydrophobicContact CG-CB 4.31Å; K391-E613 WeakPolarHBondContact CG-OE2 3.47Å; K391-E613 IonicContact NZ-OE2 2.93Å; K391-E613 PolarHBondContact NZ-OE2 3.39Å; Y557-E613 HydrophobicContact CD1-CB 3.86Å; Y557-E613 HydrophobicContact CD1-CG 4.06Å; Y557-E613 HydrophobicContact CE1-CB 3.86Å; Y557-E613 HydrophobicContact CE1-CG 3.81Å; E613-K615 PolarHBondContact O-N 3.26Å
614	D	87.6	Confident	92.2	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	89.4	167.5	-174.9	-3.9	0	0	0	107.1	K379 T384 M388 R558 L616 I648	K379-D614 IonicContact NZ-OD2 3.17Å; K379-D614 PolarHBondContact NZ-OD2 3.4Å; T384-D614 VanDerWaalsContact CG2-OD1 3.29Å; T384-D614 WeakPolarHBondContact CG2-OD1 3.48Å; M388-D614 HydrophobicContact CE-CB 4.15Å; M388-D614 VanDerWaalsContact CE-CG 3.49Å; M388-D614 WeakPolarHBondContact CE-OD1 3.5Å; M388-D614 HydrophobicContact SD-CB 3.61Å; R558-D614 IonicContact CZ-OD2 3.85Å; R558-D614 IonicContact NE-OD2 3.33Å; R558-D614 IonicContact NH2-OD2 3.79Å; R558-D614 PolarHBondContact NH2-OD2 2.72Å; D614-L616 PolarHBondContact O-N 3.4Å; D614-I648 HydrophobicContact CB-CD1 3.95Å
615	K	88.4	Confident	92.1	Very high	33 Å²	33	23.6 Å²	23.6	14%	0.143	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.4	-159.3	-170	170.7	-170.8	170.8	0	112	T384 K385 V387 D406 E613	T384-K615 CarbonylContact C-O 3.51Å; T384-K615 WeakPolarHBondContact CA-O 3.37Å; K385-K615 PolarHBondContact N-O 3.44Å; V387-K615 WeakPolarHBondContact O-CB 3.4Å; V387-K615 PolarHBondContact O-N 2.87Å; V387-K615 VanDerWaalsContact O-N 3.11Å; D406-K615 IonicContact OD1-NZ 2.76Å; D406-K615 PolarHBondContact OD1-NZ 3.48Å; D406-K615 IonicContact OD2-NZ 2.61Å; D406-K615 PolarHBondContact OD2-NZ 3.49Å; E613-K615 PolarHBondContact O-N 3.26Å
616	L	91	Very high	91.9	Very high	26 Å²	26	19 Å²	19	14%	0.136	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	159	177	-59.4	-174.1	0	0	0	112.7	L383 T384 K385 D614 V620 P621 I648	L383-L616 CarbonylContact O-C 3.54Å; L383-L616 WeakPolarHBondContact O-CA 3.37Å; T384-L616 HydrophobicContact CG2-CD2 4.23Å; K385-L616 WeakPolarHBondContact CG-O 3.44Å; D614-L616 PolarHBondContact O-N 3.4Å; L616-V620 HydrophobicContact CD1-CG1 4.36Å; L616-P621 HydrophobicContact CD1-CG 3.98Å; L616-I648 HydrophobicContact CD2-CD1 4.04Å; L616-I648 HydrophobicContact CD2-CG2 4.25Å
617	Q	90.3	Very high	91.8	Very high	15 Å²	15	18.8 Å²	18.8	7%	0.07	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-66.2	152.1	162.7	-62.6	-162.5	3.9	0	0	111.1	G381 L383 K385 G619 V620	G381-Q617 PolarHBondContact O-NE2 2.75Å; L383-Q617 PolarHBondContact O-N 3.28Å; K385-Q617 HydrophobicContact CG-CB 4.49Å; K385-Q617 HydrophobicContact CG-CG 4.09Å; Q617-G619 PolarHBondContact O-N 3.37Å; Q617-V620 HydrophobicContact CB-CG2 3.69Å; Q617-V620 WeakPolarHBondContact O-CB 3.32Å; Q617-V620 VanDerWaalsContact O-CG2 3.29Å; Q617-V620 WeakPolarHBondContact O-CG2 3.49Å; Q617-V620 PolarHBondContact O-N 2.76Å
618	D	90.9	Very high	91.6	Very high	62 Å²	62	20.2 Å²	20.2	33%	0.332	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	131.2	-174.2	-42.3	-66.9	0	0	0	110.8	K385 V620 Q789 R791	K385-D618 WeakPolarHBondContact CE-OD1 3.43Å; K385-D618 VanDerWaalsContact CE-OD2 3.24Å; K385-D618 WeakPolarHBondContact CE-OD2 3.38Å; K385-D618 IonicContact NZ-OD1 3.5Å; K385-D618 PolarHBondContact NZ-OD1 2.91Å; K385-D618 IonicContact NZ-OD2 2.7Å; K385-D618 PolarHBondContact NZ-OD2 3.09Å; D618-V620 VanDerWaalsContact C-N 3.35Å; D618-Q789 PolarHBondContact OD2-NE2 3.09Å; D618-R791 WeakPolarHBondContact O-CB 3.39Å; D618-R791 VanDerWaalsContact O-CD 3.3Å; D618-R791 WeakPolarHBondContact O-CD 3.46Å; D618-R791 VanDerWaalsContact O-CG 3.3Å; D618-R791 WeakPolarHBondContact O-CG 3.37Å
619	G	90.7	Very high	91.2	Very high	25 Å²	25	27.1 Å²	27.1	26%	0.258	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	12.1	178.8	0	0	0	0	0	115.5	Q617 E622 T623	Q617-G619 PolarHBondContact O-N 3.37Å; G619-E622 VanDerWaalsContact C-OE2 3.31Å; G619-E622 VanDerWaalsContact CA-OE2 3.22Å; G619-E622 WeakPolarHBondContact CA-OE2 3.29Å; G619-T623 WeakPolarHBondContact O-CB 3.29Å; G619-T623 PolarHBondContact O-N 3.02Å; G619-T623 PolarHBondContact O-OG1 2.99Å
620	V	93.7	Very high	90.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-52.8	178.8	163.9	0	0	0	0	112.7	L383 L616 Q617 D618 E622 T623 I624 C652 F790	L383-V620 HydrophobicContact CD2-CG1 3.91Å; L616-V620 HydrophobicContact CD1-CG1 4.36Å; Q617-V620 HydrophobicContact CB-CG2 3.69Å; Q617-V620 WeakPolarHBondContact O-CB 3.32Å; Q617-V620 VanDerWaalsContact O-CG2 3.29Å; Q617-V620 WeakPolarHBondContact O-CG2 3.49Å; Q617-V620 PolarHBondContact O-N 2.76Å; D618-V620 VanDerWaalsContact C-N 3.35Å; V620-E622 VanDerWaalsContact C-N 3.34Å; V620-E622 PolarHBondContact O-N 2.78Å; V620-T623 PolarHBondContact O-N 3.19Å; V620-I624 HydrophobicContact CG1-CD1 3.74Å; V620-I624 HydrophobicContact CG1-CG1 4.43Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.16Å; V620-C652 HydrophobicContact CG1-CB 4.37Å; V620-C652 VanDerWaalsContact CG1-SG 3.59Å; V620-F790 HydrophobicContact CG2-CB 3.97Å; V620-F790 HydrophobicContact CG2-CD1 3.86Å; V620-F790 HydrophobicContact CG2-CG 4.16Å
621	P	91.7	Very high	90.4	Very high	20 Å²	20	29.1 Å²	29.1	13%	0.13	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-41.3	179.3	-23.8	34.9	0	0	0	112.9	L616 T623 I624 A625 Q653	L616-P621 HydrophobicContact CD1-CG 3.98Å; P621-T623 VanDerWaalsContact C-N 3.33Å; P621-T623 PolarHBondContact O-N 3.35Å; P621-I624 PolarHBondContact O-N 2.92Å; P621-A625 VanDerWaalsContact O-CB 3.23Å; P621-A625 WeakPolarHBondContact O-CB 3.19Å; P621-A625 PolarHBondContact O-N 3.24Å; P621-Q653 HydrophobicContact CB-CG 4.26Å
622	E	92.6	Very high	90.2	Very high	116 Å²	116	29.3 Å²	29.3	54%	0.542	15%	0.15	S	C	.	.	H	α-helix	trans	-65.2	-37.9	178.4	-63.5	71.1	-157.9	0	0	111.7	G619 V620 S626	G619-E622 VanDerWaalsContact C-OE2 3.31Å; G619-E622 VanDerWaalsContact CA-OE2 3.22Å; G619-E622 WeakPolarHBondContact CA-OE2 3.29Å; V620-E622 VanDerWaalsContact C-N 3.34Å; V620-E622 PolarHBondContact O-N 2.78Å; E622-S626 VanDerWaalsContact O-CB 3.27Å; E622-S626 WeakPolarHBondContact O-CB 3.28Å; E622-S626 PolarHBondContact O-N 2.88Å; E622-S626 PolarHBondContact O-OG 2.86Å
623	T	94.4	Very high	90.1	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-50.1	175.4	-65.4	0	0	0	0	110.7	G619 V620 P621 A625 S626 L627 F790 R791 T794	G619-T623 WeakPolarHBondContact O-CB 3.29Å; G619-T623 PolarHBondContact O-N 3.02Å; G619-T623 PolarHBondContact O-OG1 2.99Å; V620-T623 PolarHBondContact O-N 3.19Å; P621-T623 VanDerWaalsContact C-N 3.33Å; P621-T623 PolarHBondContact O-N 3.35Å; T623-A625 PolarHBondContact O-N 2.93Å; T623-S626 CarbonylContact O-C 3.58Å; T623-S626 WeakPolarHBondContact O-CA 3.11Å; T623-S626 WeakPolarHBondContact O-CB 3.43Å; T623-S626 PolarHBondContact O-N 3.49Å; T623-L627 HydrophobicContact CG2-CD1 3.92Å; T623-L627 HydrophobicContact CG2-CG 4.33Å; T623-L627 VanDerWaalsContact O-CG 3.32Å; T623-L627 WeakPolarHBondContact O-CG 3.38Å; T623-L627 PolarHBondContact O-N 3.33Å; T623-F790 HydrophobicContact CG2-CD1 3.74Å; T623-F790 HydrophobicContact CG2-CE1 3.52Å; T623-R791 WeakPolarHBondContact OG1-CA 3.43Å; T623-T794 VanDerWaalsContact CG2-OG1 3.31Å; T623-T794 WeakPolarHBondContact CG2-OG1 3.16Å; T623-T794 PolarHBondContact OG1-OG1 3.5Å
624	I	93.1	Very high	90.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-45.3	178.5	-69.2	175.6	0	0	0	110.7	L383 V620 P621 S626 L627 L628 L634 C652 L654 F790	L383-I624 HydrophobicContact CD2-CD1 4.15Å; V620-I624 HydrophobicContact CG1-CD1 3.74Å; V620-I624 HydrophobicContact CG1-CG1 4.43Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.16Å; P621-I624 PolarHBondContact O-N 2.92Å; I624-S626 PolarHBondContact O-N 2.81Å; I624-L627 PolarHBondContact O-N 3.49Å; I624-L628 HydrophobicContact CG2-CD1 3.74Å; I624-L628 HydrophobicContact CG2-CG 4.41Å; I624-L628 WeakPolarHBondContact O-CB 3.38Å; I624-L628 VanDerWaalsContact O-CG 3.26Å; I624-L628 WeakPolarHBondContact O-CG 3.45Å; I624-L628 PolarHBondContact O-N 2.94Å; I624-L634 HydrophobicContact CD1-CD1 4.39Å; I624-L634 HydrophobicContact CG1-CD1 3.93Å; I624-L634 HydrophobicContact CG2-CD1 4.5Å; I624-C652 HydrophobicContact CD1-CB 3.77Å; I624-L654 HydrophobicContact CG2-CB 4.4Å; I624-L654 HydrophobicContact CG2-CD1 4.05Å; I624-F790 HydrophobicContact CD1-CE1 4.4Å; I624-F790 HydrophobicContact CG1-CE1 3.87Å; I624-F790 HydrophobicContact CG1-CZ 4.23Å
625	A	90.3	Very high	90.6	Very high	21 Å²	21	27.7 Å²	27.7	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-33.3	173.8	0	0	0	0	0	112.5	P621 T623 R629	P621-A625 VanDerWaalsContact O-CB 3.23Å; P621-A625 WeakPolarHBondContact O-CB 3.19Å; P621-A625 PolarHBondContact O-N 3.24Å; T623-A625 PolarHBondContact O-N 2.93Å; A625-R629 WeakPolarHBondContact O-CD 3.43Å; A625-R629 WeakPolarHBondContact O-CG 3.3Å; A625-R629 PolarHBondContact O-N 2.89Å; A625-R629 VanDerWaalsContact O-N 3.13Å
626	S	91	Very high	90.9	Very high	16 Å²	16	26.1 Å²	26.1	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-78.5	-37.1	178.1	-59.9	0	0	0	0	113.1	E622 T623 I624 R629 A630 P897	E622-S626 VanDerWaalsContact O-CB 3.27Å; E622-S626 WeakPolarHBondContact O-CB 3.28Å; E622-S626 PolarHBondContact O-N 2.88Å; E622-S626 PolarHBondContact O-OG 2.86Å; T623-S626 CarbonylContact O-C 3.58Å; T623-S626 WeakPolarHBondContact O-CA 3.11Å; T623-S626 WeakPolarHBondContact O-CB 3.43Å; T623-S626 PolarHBondContact O-N 3.49Å; I624-S626 PolarHBondContact O-N 2.81Å; S626-R629 PolarHBondContact O-N 2.88Å; S626-R629 PolarHBondContact OG-NH1 3.13Å; S626-R629 VanDerWaalsContact OG-NH1 3.14Å; S626-A630 PolarHBondContact O-N 3.36Å; S626-A630 VanDerWaalsContact O-N 3.13Å; S626-P897 VanDerWaalsContact O-CB 3.25Å; S626-P897 WeakPolarHBondContact O-CB 3.24Å
627	L	92.5	Very high	91	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-44.3	171.1	-66.3	168.6	0	0	0	111.2	I375 T623 I624 R629 A630 I632 L634 F790 L793 L797 F798	I375-L627 HydrophobicContact CD1-CD1 3.97Å; I375-L627 HydrophobicContact CD1-CD2 3.82Å; I375-L627 HydrophobicContact CD1-CG 4.43Å; T623-L627 HydrophobicContact CG2-CD1 3.92Å; T623-L627 HydrophobicContact CG2-CG 4.33Å; T623-L627 VanDerWaalsContact O-CG 3.32Å; T623-L627 WeakPolarHBondContact O-CG 3.38Å; T623-L627 PolarHBondContact O-N 3.33Å; I624-L627 PolarHBondContact O-N 3.49Å; L627-R629 PolarHBondContact O-N 2.7Å; L627-A630 CarbonylContact O-C 3.59Å; L627-A630 WeakPolarHBondContact O-CA 3.24Å; L627-A630 WeakPolarHBondContact O-CB 3.37Å; L627-A630 PolarHBondContact O-N 2.93Å; L627-I632 HydrophobicContact CD2-CD1 3.76Å; L627-I632 WeakPolarHBondContact O-CB 3.36Å; L627-I632 PolarHBondContact O-N 3.43Å; L627-L634 HydrophobicContact CD1-CD1 4.19Å; L627-F790 HydrophobicContact CD1-CZ 4.45Å; L627-L793 HydrophobicContact CD1-CD2 4.18Å; L627-L797 HydrophobicContact CD2-CD1 3.82Å; L627-F798 HydrophobicContact CD2-CE1 4.34Å; L627-F798 HydrophobicContact CD2-CZ 3.98Å
628	L	88.2	Confident	91	Very high	35 Å²	35	24.2 Å²	24.2	18%	0.183	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-36	176.8	-68.4	166.3	0	0	0	112.2	I624 A630 D631 L654	I624-L628 HydrophobicContact CG2-CD1 3.74Å; I624-L628 HydrophobicContact CG2-CG 4.41Å; I624-L628 WeakPolarHBondContact O-CB 3.38Å; I624-L628 VanDerWaalsContact O-CG 3.26Å; I624-L628 WeakPolarHBondContact O-CG 3.45Å; I624-L628 PolarHBondContact O-N 2.94Å; L628-A630 PolarHBondContact O-N 3.33Å; L628-D631 PolarHBondContact O-N 3.47Å; L628-L654 HydrophobicContact CD1-CD1 4.48Å
629	R	86.4	Confident	90.5	Very high	146 Å²	146	23.5 Å²	23.5	55%	0.551	13%	0.133	S	C	*	.	H	α-helix	trans	-64.8	-25.1	169.8	-72.6	167.4	-159.2	134.5	0.2	113	A625 S626 L627 D631 P897 T898	A625-R629 WeakPolarHBondContact O-CD 3.43Å; A625-R629 WeakPolarHBondContact O-CG 3.3Å; A625-R629 PolarHBondContact O-N 2.89Å; A625-R629 VanDerWaalsContact O-N 3.13Å; S626-R629 PolarHBondContact O-N 2.88Å; S626-R629 PolarHBondContact OG-NH1 3.13Å; S626-R629 VanDerWaalsContact OG-NH1 3.14Å; L627-R629 PolarHBondContact O-N 2.7Å; R629-D631 VanDerWaalsContact C-N 3.3Å; R629-D631 PolarHBondContact O-N 3.25Å; R629-P897 HydrophobicContact CB-CB 4.3Å; R629-T898 WeakPolarHBondContact O-CG2 3.16Å
630	A	86.9	Confident	89.9	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	11.8	178.6	0	0	0	0	0	114.1	S626 L627 L628 I632 F798 P897 Y900 Q904	S626-A630 PolarHBondContact O-N 3.36Å; S626-A630 VanDerWaalsContact O-N 3.13Å; L627-A630 CarbonylContact O-C 3.59Å; L627-A630 WeakPolarHBondContact O-CA 3.24Å; L627-A630 WeakPolarHBondContact O-CB 3.37Å; L627-A630 PolarHBondContact O-N 2.93Å; L628-A630 PolarHBondContact O-N 3.33Å; A630-I632 HydrophobicContact CB-CD1 4.01Å; A630-I632 HydrophobicContact CB-CG1 4.16Å; A630-I632 PolarHBondContact O-N 3.04Å; A630-F798 HydrophobicContact CB-CE1 3.53Å; A630-F798 HydrophobicContact CB-CZ 3.64Å; A630-P897 HydrophobicContact CB-CB 4.01Å; A630-P897 WeakPolarHBondContact CB-O 3.29Å; A630-Y900 HydrophobicContact CB-CD1 4.34Å; A630-Q904 PolarHBondContact O-NE2 3.31Å; A630-Q904 PolarHBondContact O-OE1 3.02Å
631	D	85.8	Confident	89.1	Confident	42 Å²	42	26.3 Å²	26.3	23%	0.225	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	33.6	-177.3	-165	21.3	0	0	0	113.1	K373 L628 R629 K901	K373-D631 IonicContact NZ-OD1 3.94Å; K373-D631 IonicContact NZ-OD2 2.77Å; L628-D631 PolarHBondContact O-N 3.47Å; R629-D631 VanDerWaalsContact C-N 3.3Å; R629-D631 PolarHBondContact O-N 3.25Å; D631-K901 HydrophobicContact CB-CD 4.1Å; D631-K901 VanDerWaalsContact OD2-CE 3.32Å; D631-K901 WeakPolarHBondContact OD2-CE 3.48Å; D631-K901 IonicContact OD2-NZ 3.75Å; D631-K901 PolarHBondContact OD2-NZ 3.24Å
632	I	89.2	Confident	88.7	Confident	3 Å²	3	26 Å²	26	2%	0.015	14%	0.137	C	C	.	.			trans	-100.7	123.6	173.2	-57	170.6	0	0	0	108.4	K373 I375 L627 A630 L797 F798 Y900	K373-I632 WeakPolarHBondContact O-CA 3.45Å; I375-I632 HydrophobicContact CB-CG2 4.37Å; I375-I632 HydrophobicContact CD1-CG2 3.63Å; I375-I632 HydrophobicContact CG1-CG2 3.67Å; L627-I632 HydrophobicContact CD2-CD1 3.76Å; L627-I632 WeakPolarHBondContact O-CB 3.36Å; L627-I632 PolarHBondContact O-N 3.43Å; A630-I632 HydrophobicContact CB-CD1 4.01Å; A630-I632 HydrophobicContact CB-CG1 4.16Å; A630-I632 PolarHBondContact O-N 3.04Å; I632-L797 HydrophobicContact CD1-CD1 4.41Å; I632-F798 HydrophobicContact CD1-CE1 4.05Å; I632-Y900 HydrophobicContact CD1-CD1 3.99Å; I632-Y900 HydrophobicContact CD1-CE1 3.76Å; I632-Y900 HydrophobicContact CG1-CD1 4.36Å; I632-Y900 HydrophobicContact CG1-CE1 4.2Å
633	K	89.4	Confident	88	Confident	11 Å²	11	22.3 Å²	22.3	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	171.8	-63.2	-160.5	-179.9	-165.5	0	109.6	K373 Y374 I375 D690 L719 C721	K373-K633 PolarHBondContact O-N 3.41Å; Y374-K633 WeakPolarHBondContact CA-O 3.29Å; Y374-K633 HydrophobicContact CD1-CB 3.87Å; Y374-K633 HydrophobicContact CE1-CB 3.79Å; Y374-K633 HydrophobicContact CE1-CD 3.81Å; Y374-K633 HydrophobicContact CE1-CG 4.17Å; I375-K633 PolarHBondContact N-O 2.9Å; K633-D690 WeakPolarHBondContact CE-OD1 3.15Å; K633-D690 IonicContact NZ-OD1 3.58Å; K633-D690 PolarHBondContact NZ-OD1 3.02Å; K633-L719 PolarHBondContact NZ-O 2.66Å; K633-C721 PolarHBondContact NZ-O 2.97Å
634	L	92.1	Very high	87.4	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.8	-179.8	-172.7	157.5	0	0	0	109.7	I375 T377 I624 L627 L654 F790	I375-L634 HydrophobicContact CG2-CG 4.4Å; I375-L634 CarbonylContact O-C 3.58Å; I375-L634 WeakPolarHBondContact O-CA 3.37Å; T377-L634 HydrophobicContact CG2-CD2 3.71Å; T377-L634 HydrophobicContact CG2-CG 4.35Å; I624-L634 HydrophobicContact CD1-CD1 4.39Å; I624-L634 HydrophobicContact CG1-CD1 3.93Å; I624-L634 HydrophobicContact CG2-CD1 4.5Å; L627-L634 HydrophobicContact CD1-CD1 4.19Å; L634-L654 HydrophobicContact CB-CD1 4.28Å; L634-L654 HydrophobicContact CD2-CD1 3.84Å; L634-L654 HydrophobicContact CD2-CD2 3.71Å; L634-L654 HydrophobicContact CD2-CG 4.43Å; L634-F790 HydrophobicContact CD1-CZ 4.3Å
635	W	94.9	Very high	87	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.7	179.2	-66	15	0	0	0	109.1	Y374 I375 F376 T377 A718 L719 V724 I737 V741	Y374-W635 HydrophobicContact CE1-CZ2 4.22Å; I375-W635 PolarHBondContact O-N 3.49Å; F376-W635 WeakPolarHBondContact CA-O 3.5Å; F376-W635 HydrophobicContact CD1-CB 3.92Å; F376-W635 HydrophobicContact CD1-CE3 4.26Å; F376-W635 HydrophobicContact CD1-CG 4.46Å; F376-W635 HydrophobicContact CE1-CB 4.22Å; F376-W635 AromaticContact CE1-CD2 3.93Å; F376-W635 HydrophobicContact CE1-CD2 3.93Å; F376-W635 AromaticContact CE1-CE3 3.56Å; F376-W635 HydrophobicContact CE1-CE3 3.56Å; F376-W635 HydrophobicContact CE1-CG 4.27Å; F376-W635 HydrophobicContact CE1-CZ3 4.21Å; T377-W635 PolarHBondContact N-O 3.18Å; W635-A718 HydrophobicContact CH2-CB 3.64Å; W635-A718 HydrophobicContact CZ2-CB 4.13Å; W635-A718 WeakPolarHBondContact CZ2-O 3.4Å; W635-A718 HydrophobicContact CZ3-CB 4.36Å; W635-L719 HydrophobicContact CH2-CD2 4.04Å; W635-L719 HydrophobicContact CZ2-CD2 3.9Å; W635-V724 CarbonylContact C-O 3.38Å; W635-V724 VanDerWaalsContact CA-O 3.24Å; W635-V724 WeakPolarHBondContact CA-O 3.41Å; W635-V724 HydrophobicContact CB-CB 4.31Å; W635-V724 HydrophobicContact CD2-CB 3.65Å; W635-V724 HydrophobicContact CD2-CG1 4.42Å; W635-V724 HydrophobicContact CD2-CG2 3.71Å; W635-V724 VanDerWaalsContact CE2-CG2 3.44Å; W635-V724 HydrophobicContact CE3-CB 3.99Å; W635-V724 HydrophobicContact CE3-CG1 4.26Å; W635-V724 HydrophobicContact CE3-CG2 4.16Å; W635-V724 HydrophobicContact CG-CB 3.76Å; W635-V724 HydrophobicContact CG-CG2 4.12Å; W635-V724 HydrophobicContact CH2-CG2 4.24Å; W635-V724 HydrophobicContact CZ2-CG2 3.75Å; W635-V724 HydrophobicContact CZ3-CG2 4.41Å; W635-I737 HydrophobicContact CE3-CG2 3.94Å; W635-I737 HydrophobicContact CZ3-CG2 3.91Å; W635-V741 HydrophobicContact CE3-CG2 4.41Å; W635-V741 HydrophobicContact CH2-CG2 3.56Å; W635-V741 HydrophobicContact CZ2-CG2 4.41Å; W635-V741 HydrophobicContact CZ3-CG2 3.58Å
636	M	94.8	Very high	86.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.2	179.2	-172.2	-166.8	-61.1	0	0	109.3	T377 K379 L383 I648 L654 V724 I725 C726	T377-M636 HydrophobicContact CG2-CB 4.38Å; T377-M636 HydrophobicContact CG2-CG 4.45Å; T377-M636 CarbonylContact O-C 3.57Å; T377-M636 WeakPolarHBondContact O-CA 3.23Å; K379-M636 HydrophobicContact CB-CG 4.36Å; K379-M636 HydrophobicContact CB-SD 4.02Å; K379-M636 HydrophobicContact CG-SD 4.08Å; L383-M636 HydrophobicContact CD1-CE 3.9Å; M636-I648 HydrophobicContact CE-CG2 4.12Å; M636-L654 HydrophobicContact CB-CD2 4.45Å; M636-L654 HydrophobicContact CE-CD2 4.01Å; M636-V724 PolarHBondContact N-O 2.96Å; M636-I725 HydrophobicContact CB-CG1 4.27Å; M636-I725 HydrophobicContact CB-CG2 4.3Å; M636-I725 CarbonylContact O-C 3.56Å; M636-I725 WeakPolarHBondContact O-CA 3.31Å; M636-I725 HydrophobicContact SD-CG2 4.17Å; M636-C726 PolarHBondContact O-N 2.82Å
637	L	93.3	Very high	86.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	93.7	-176.4	-56.7	-169.2	0	0	0	109.7	F376 T377 C726 K734 I737 M761	F376-L637 HydrophobicContact CB-CD1 4.1Å; F376-L637 HydrophobicContact CB-CG 4.47Å; F376-L637 HydrophobicContact CD1-CD1 3.75Å; F376-L637 HydrophobicContact CD1-CG 4.22Å; F376-L637 HydrophobicContact CG-CD1 4.27Å; T377-L637 PolarHBondContact O-N 2.85Å; L637-C726 HydrophobicContact CD2-CB 3.7Å; L637-C726 VanDerWaalsContact CD2-SG 3.58Å; L637-K734 HydrophobicContact CB-CD 4.29Å; L637-K734 HydrophobicContact CB-CG 4.24Å; L637-K734 HydrophobicContact CD1-CB 4.39Å; L637-K734 WeakPolarHBondContact O-CE 3.21Å; L637-K734 PolarHBondContact O-NZ 3.22Å; L637-I737 HydrophobicContact CD1-CB 4.08Å; L637-I737 HydrophobicContact CD1-CD1 4.14Å; L637-I737 HydrophobicContact CD1-CG2 3.96Å; L637-I737 HydrophobicContact CD2-CD1 3.68Å; L637-I737 HydrophobicContact CD2-CG2 4.23Å; L637-M761 HydrophobicContact CB-SD 4.18Å; L637-M761 HydrophobicContact CD1-SD 3.87Å; L637-M761 HydrophobicContact CG-SD 4.44Å
638	T	89.2	Confident	86.2	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.107	C	C	.	.			trans	-121.6	150.7	-171.5	-170.7	0	0	0	0	114.6	D378 K379 D640 A645 C726 C727 R728 V729	D378-T638 WeakPolarHBondContact OD1-CA 3.28Å; K379-T638 HydrophobicContact CB-CG2 4.37Å; T638-D640 VanDerWaalsContact C-N 3.29Å; T638-D640 HydrophobicContact CG2-CB 4.16Å; T638-D640 PolarHBondContact OG1-N 2.79Å; T638-A645 HydrophobicContact CG2-CB 3.81Å; T638-C726 PolarHBondContact N-O 2.8Å; T638-C727 CarbonylContact O-C 3.51Å; T638-R728 PolarHBondContact O-N 2.82Å; T638-R728 VanDerWaalsContact O-N 3.09Å; T638-V729 PolarHBondContact O-N 3.46Å
639	G	80.4	Confident	86.2	Confident	48 Å²	48	19.2 Å²	19.2	50%	0.495	10%	0.098	S	C	.	.	S	Bend	trans	-76.7	-12.1	169.5	0	0	0	0	0	113.9	R728	G639-R728 WeakPolarHBondContact O-CA 3.41Å
640	D	78.8	Confident	86.2	Confident	37 Å²	37	15 Å²	15	20%	0.198	8%	0.083	C	C	.	.	S	Bend	trans	-68.6	163.9	-174.9	-100.6	-5	0	0	0	114.2	K379 T638 T644 R728	K379-D640 WeakPolarHBondContact CD-OD2 3.35Å; K379-D640 WeakPolarHBondContact CE-OD2 3.39Å; K379-D640 IonicContact NZ-OD2 2.9Å; K379-D640 PolarHBondContact NZ-OD2 2.69Å; T638-D640 VanDerWaalsContact C-N 3.29Å; T638-D640 HydrophobicContact CG2-CB 4.16Å; T638-D640 PolarHBondContact OG1-N 2.79Å; D640-T644 HydrophobicContact CB-CG2 4.48Å; D640-T644 VanDerWaalsContact OD2-CG2 3.3Å; D640-T644 WeakPolarHBondContact OD2-CG2 3.23Å; D640-R728 WeakPolarHBondContact O-CG 3.47Å; D640-R728 PolarHBondContact O-N 2.9Å
641	K	76.7	Confident	86.2	Confident	46 Å²	46	16.5 Å²	16.5	20%	0.2	9%	0.094	C	C	.	.			trans	-62.3	149.9	170.3	-53.5	-173.3	-179.2	-176.6	0	110.3	S504 E643 T644 A645 E1151	S504-K641 PolarHBondContact OG-NZ 2.89Å; K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 VanDerWaalsContact CB-OE2 3.27Å; K641-E643 WeakPolarHBondContact CB-OE2 3.38Å; K641-E643 PolarHBondContact O-N 3.14Å; K641-T644 PolarHBondContact O-N 2.73Å; K641-A645 PolarHBondContact O-N 2.83Å; K641-E1151 IonicContact NZ-OE1 2.77Å; K641-E1151 PolarHBondContact NZ-OE1 3.07Å
642	Q	82.6	Confident	86.3	Confident	15 Å²	15	14.5 Å²	14.5	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-37.5	-168.7	178.4	174.2	-81.3	0	0	112.7	A645 V646 I696 C727	Q642-A645 PolarHBondContact O-N 2.86Å; Q642-V646 HydrophobicContact CG-CG2 4.45Å; Q642-V646 WeakPolarHBondContact O-CG2 3.49Å; Q642-V646 PolarHBondContact O-N 3.15Å; Q642-I696 HydrophobicContact CG-CG2 3.86Å; Q642-C727 HydrophobicContact CB-CB 4.12Å
643	E	79.1	Confident	86.1	Confident	37 Å²	37	20 Å²	20	17%	0.173	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-48.5	-180	-50.3	87.3	157.3	0	0	110.3	K641 A645 V646 N647 Y1145	K641-E643 VanDerWaalsContact C-N 3.3Å; K641-E643 VanDerWaalsContact CB-OE2 3.27Å; K641-E643 WeakPolarHBondContact CB-OE2 3.38Å; K641-E643 PolarHBondContact O-N 3.14Å; E643-A645 PolarHBondContact O-N 3.1Å; E643-V646 PolarHBondContact O-N 3.2Å; E643-N647 WeakPolarHBondContact O-CB 3.38Å; E643-N647 PolarHBondContact O-N 2.82Å; E643-Y1145 WeakPolarHBondContact CB-O 3.41Å
644	T	80.6	Confident	86	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-44.2	173.8	-52.4	0	0	0	0	112.2	K379 D640 K641 V646 N647 I648	K379-T644 HydrophobicContact CD-CG2 4.28Å; D640-T644 HydrophobicContact CB-CG2 4.48Å; D640-T644 VanDerWaalsContact OD2-CG2 3.3Å; D640-T644 WeakPolarHBondContact OD2-CG2 3.23Å; K641-T644 PolarHBondContact O-N 2.73Å; T644-V646 PolarHBondContact O-N 2.81Å; T644-N647 PolarHBondContact O-N 3.04Å; T644-I648 PolarHBondContact O-N 2.7Å
645	A	86.1	Confident	85.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-37.7	-179.3	0	0	0	0	0	112.4	T638 K641 Q642 E643 G649 I725	T638-A645 HydrophobicContact CG2-CB 3.81Å; K641-A645 PolarHBondContact O-N 2.83Å; Q642-A645 PolarHBondContact O-N 2.86Å; E643-A645 PolarHBondContact O-N 3.1Å; A645-G649 PolarHBondContact O-N 2.9Å; A645-I725 HydrophobicContact CB-CG2 3.87Å
646	V	85.2	Confident	85.1	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.2	-40.5	176	175.2	0	0	0	0	111.8	Q642 E643 T644 G649 Y650 L655 I696 V1141	Q642-V646 HydrophobicContact CG-CG2 4.45Å; Q642-V646 WeakPolarHBondContact O-CG2 3.49Å; Q642-V646 PolarHBondContact O-N 3.15Å; E643-V646 PolarHBondContact O-N 3.2Å; T644-V646 PolarHBondContact O-N 2.81Å; V646-G649 CarbonylContact O-C 3.54Å; V646-G649 WeakPolarHBondContact O-CA 3.27Å; V646-G649 PolarHBondContact O-N 2.85Å; V646-G649 VanDerWaalsContact O-N 3.07Å; V646-Y650 HydrophobicContact CG1-CD2 3.98Å; V646-Y650 HydrophobicContact CG1-CE2 3.63Å; V646-Y650 WeakPolarHBondContact O-CD2 3.38Å; V646-Y650 PolarHBondContact O-N 3.48Å; V646-L655 HydrophobicContact CG1-CD1 3.91Å; V646-I696 HydrophobicContact CG2-CD1 3.66Å; V646-I696 HydrophobicContact CG2-CG1 4.34Å; V646-I696 HydrophobicContact CG2-CG2 4.42Å; V646-V1141 HydrophobicContact CB-CG1 4.29Å; V646-V1141 HydrophobicContact CG1-CG1 3.54Å
647	N	83.7	Confident	84	Confident	4 Å²	4	27 Å²	27	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-57.2	-51.5	174.1	-76.3	-1.9	0	0	0	110.9	E643 T644 G649 Y650 S651 G1144	E643-N647 WeakPolarHBondContact O-CB 3.38Å; E643-N647 PolarHBondContact O-N 2.82Å; T644-N647 PolarHBondContact O-N 3.04Å; N647-G649 VanDerWaalsContact C-N 3.27Å; N647-G649 PolarHBondContact O-N 2.7Å; N647-Y650 PolarHBondContact O-N 2.68Å; N647-Y650 VanDerWaalsContact O-N 3.09Å; N647-S651 PolarHBondContact O-N 2.84Å; N647-S651 PolarHBondContact O-OG 2.85Å; N647-S651 VanDerWaalsContact O-OG 3.09Å; N647-G1144 PolarHBondContact ND2-O 2.68Å
648	I	87.8	Confident	83	Confident	4 Å²	4	28 Å²	28	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-34.3	173.8	-65.1	-56.9	0	0	0	111.8	K379 T384 D614 L616 M636 T644 Y650 S651 C652	K379-I648 HydrophobicContact CD-CB 4.38Å; K379-I648 HydrophobicContact CD-CG1 3.89Å; K379-I648 HydrophobicContact CG-CB 4.05Å; K379-I648 HydrophobicContact CG-CG1 4.05Å; K379-I648 HydrophobicContact CG-CG2 3.8Å; T384-I648 HydrophobicContact CG2-CD1 3.69Å; T384-I648 HydrophobicContact CG2-CG1 4.14Å; D614-I648 HydrophobicContact CB-CD1 3.95Å; L616-I648 HydrophobicContact CD2-CD1 4.04Å; L616-I648 HydrophobicContact CD2-CG2 4.25Å; M636-I648 HydrophobicContact CE-CG2 4.12Å; T644-I648 PolarHBondContact O-N 2.7Å; I648-Y650 VanDerWaalsContact C-N 3.25Å; I648-Y650 PolarHBondContact O-N 2.88Å; I648-S651 PolarHBondContact O-N 2.79Å; I648-C652 WeakPolarHBondContact O-CB 3.4Å; I648-C652 PolarHBondContact O-N 3.14Å; I648-C652 PolarHBondContact O-SG 2.91Å; I648-C652 VanDerWaalsContact O-SG 3.41Å
649	G	88.6	Confident	82.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54	-40.5	171.8	0	0	0	0	0	113	A645 V646 N647 L654 L655	A645-G649 PolarHBondContact O-N 2.9Å; V646-G649 CarbonylContact O-C 3.54Å; V646-G649 WeakPolarHBondContact O-CA 3.27Å; V646-G649 PolarHBondContact O-N 2.85Å; V646-G649 VanDerWaalsContact O-N 3.07Å; N647-G649 VanDerWaalsContact C-N 3.27Å; N647-G649 PolarHBondContact O-N 2.7Å; G649-L654 PolarHBondContact O-N 2.85Å; G649-L655 PolarHBondContact O-N 2.74Å
650	Y	86.2	Confident	82.6	Confident	59 Å²	59	27.2 Å²	27.2	23%	0.231	16%	0.16	C	C	.	.	H	α-helix	trans	-75.6	-46.2	173.1	-72.1	-64.6	0	0	0	112.9	V646 N647 I648 C652 Q653 L655	V646-Y650 HydrophobicContact CG1-CD2 3.98Å; V646-Y650 HydrophobicContact CG1-CE2 3.63Å; V646-Y650 WeakPolarHBondContact O-CD2 3.38Å; V646-Y650 PolarHBondContact O-N 3.48Å; N647-Y650 PolarHBondContact O-N 2.68Å; N647-Y650 VanDerWaalsContact O-N 3.09Å; I648-Y650 VanDerWaalsContact C-N 3.25Å; I648-Y650 PolarHBondContact O-N 2.88Å; Y650-C652 VanDerWaalsContact C-N 3.25Å; Y650-C652 PolarHBondContact O-N 2.72Å; Y650-Q653 PolarHBondContact O-N 2.94Å; Y650-L655 HydrophobicContact CD1-CB 3.76Å; Y650-L655 HydrophobicContact CE1-CB 3.79Å; Y650-L655 HydrophobicContact CE2-CD1 4.38Å; Y650-L655 HydrophobicContact CG-CB 4.29Å
651	S	86.3	Confident	83	Confident	31 Å²	31	27.1 Å²	27.1	22%	0.217	16%	0.159	C	C	.	.	H	α-helix	trans	-55.2	-41.5	178.5	-49.7	0	0	0	0	112.3	G556 N647 I648 Q653	G556-S651 WeakPolarHBondContact CA-OG 3.4Å; G556-S651 PolarHBondContact O-OG 2.87Å; N647-S651 PolarHBondContact O-N 2.84Å; N647-S651 PolarHBondContact O-OG 2.85Å; N647-S651 VanDerWaalsContact O-OG 3.09Å; I648-S651 PolarHBondContact O-N 2.79Å; S651-Q653 PolarHBondContact O-N 3.12Å
652	C	88.6	Confident	83.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.4	178.1	-74	0	0	0	0	114.4	V620 I624 I648 Y650 L654	V620-C652 HydrophobicContact CG1-CB 4.37Å; V620-C652 VanDerWaalsContact CG1-SG 3.59Å; I624-C652 HydrophobicContact CD1-CB 3.77Å; I648-C652 WeakPolarHBondContact O-CB 3.4Å; I648-C652 PolarHBondContact O-N 3.14Å; I648-C652 PolarHBondContact O-SG 2.91Å; I648-C652 VanDerWaalsContact O-SG 3.41Å; Y650-C652 VanDerWaalsContact C-N 3.25Å; Y650-C652 PolarHBondContact O-N 2.72Å; C652-L654 HydrophobicContact CB-CB 4.4Å; C652-L654 PolarHBondContact O-N 3Å; C652-L654 VanDerWaalsContact O-N 3.12Å
653	Q	85.1	Confident	83.9	Confident	119 Å²	119	26.4 Å²	26.4	56%	0.556	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	23.3	-171.1	-55.3	-178.4	12	0	0	114.1	P621 Y650 S651 L655	P621-Q653 HydrophobicContact CB-CG 4.26Å; Y650-Q653 PolarHBondContact O-N 2.94Å; S651-Q653 PolarHBondContact O-N 3.12Å; Q653-L655 CarbonylContact C-O 3.53Å
654	L	87.3	Confident	84.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-75.6	-46.7	175.7	-178	63.2	0	0	0	109.7	I624 L628 L634 M636 G649 C652 V723	I624-L654 HydrophobicContact CG2-CB 4.4Å; I624-L654 HydrophobicContact CG2-CD1 4.05Å; L628-L654 HydrophobicContact CD1-CD1 4.48Å; L634-L654 HydrophobicContact CB-CD1 4.28Å; L634-L654 HydrophobicContact CD2-CD1 3.84Å; L634-L654 HydrophobicContact CD2-CD2 3.71Å; L634-L654 HydrophobicContact CD2-CG 4.43Å; M636-L654 HydrophobicContact CB-CD2 4.45Å; M636-L654 HydrophobicContact CE-CD2 4.01Å; G649-L654 PolarHBondContact O-N 2.85Å; C652-L654 HydrophobicContact CB-CB 4.4Å; C652-L654 PolarHBondContact O-N 3Å; C652-L654 VanDerWaalsContact O-N 3.12Å; L654-V723 HydrophobicContact CD1-CG1 4.11Å; L654-V723 HydrophobicContact CD1-CG2 3.66Å; L654-V723 HydrophobicContact CD2-CG1 3.87Å; L654-V723 HydrophobicContact CG-CG1 3.7Å; L654-V723 HydrophobicContact CG-CG2 3.96Å
655	L	86.3	Confident	84.7	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.016	16%	0.163	C	C	.	.	S	Bend	trans	-88.3	150.6	163.3	-55.4	-176.3	0	0	0	109.5	V646 G649 Y650 Q653 M659 L661 V723 I725	V646-L655 HydrophobicContact CG1-CD1 3.91Å; G649-L655 PolarHBondContact O-N 2.74Å; Y650-L655 HydrophobicContact CD1-CB 3.76Å; Y650-L655 HydrophobicContact CE1-CB 3.79Å; Y650-L655 HydrophobicContact CE2-CD1 4.38Å; Y650-L655 HydrophobicContact CG-CB 4.29Å; Q653-L655 CarbonylContact C-O 3.53Å; L655-M659 HydrophobicContact CD2-SD 3.9Å; L655-L661 HydrophobicContact CD1-CD2 4.27Å; L655-L661 HydrophobicContact CD2-CD2 3.88Å; L655-V723 HydrophobicContact CD2-CG1 3.97Å; L655-I725 HydrophobicContact CD1-CD1 3.88Å; L655-I725 HydrophobicContact CD2-CD1 3.98Å; L655-I725 HydrophobicContact CG-CD1 3.96Å
656	T	80	Confident	84.7	Confident	52 Å²	52	30 Å²	30	32%	0.319	17%	0.174	S	C	.	.			trans	-130	151.1	171.2	72.5	0	0	0	0	109.3	G658 M659	T656-G658 PolarHBondContact O-N 3.1Å; T656-M659 WeakPolarHBondContact O-CB 3.4Å; T656-M659 PolarHBondContact O-N 3.13Å
657	A	72.6	Confident	84.6	Confident	105 Å²	105	34.6 Å²	34.6	87%	0.868	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-5.6	178.7	0	0	0	0	0	114.6
658	G	71.6	Confident	84.8	Confident	21 Å²	21	39.2 Å²	39.2	22%	0.216	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-10.4	173.2	0	0	0	0	0	115.5	T656 R1125	T656-G658 PolarHBondContact O-N 3.1Å; G658-R1125 PolarHBondContact O-NE 3.28Å; G658-R1125 PolarHBondContact O-NH2 3.4Å
659	M	79.2	Confident	84.8	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.074	24%	0.238	C	C	.	.	S	Bend	trans	-75.5	143	-179	177.6	169.6	-90.3	0	0	110.5	L655 T656 L661 D692 R722 V723	L655-M659 HydrophobicContact CD2-SD 3.9Å; T656-M659 WeakPolarHBondContact O-CB 3.4Å; T656-M659 PolarHBondContact O-N 3.13Å; M659-L661 HydrophobicContact CG-CD2 4.19Å; M659-L661 HydrophobicContact SD-CD2 4.42Å; M659-D692 WeakPolarHBondContact CE-OD1 3.4Å; M659-R722 HydrophobicContact CE-CB 4.24Å; M659-R722 HydrophobicContact CE-CG 4.36Å; M659-V723 HydrophobicContact CE-CG2 4.11Å; M659-V723 HydrophobicContact SD-CB 4.48Å; M659-V723 HydrophobicContact SD-CG2 4.45Å
660	A	83.1	Confident	84.8	Confident	18 Å²	18	50.3 Å²	50.3	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.6	168.8	0	0	0	0	0	109.5	V693 G694 F1128	A660-V693 HydrophobicContact CB-CG2 4.39Å; A660-V693 WeakPolarHBondContact O-CA 3.44Å; A660-G694 PolarHBondContact O-N 2.82Å; A660-F1128 HydrophobicContact CB-CD2 4.33Å
661	L	86	Confident	84.9	Confident	35 Å²	35	51.9 Å²	51.9	18%	0.183	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.2	-179.7	-59	-177.8	0	0	0	110.4	L655 M659 F663 G694 I696	L655-L661 HydrophobicContact CD1-CD2 4.27Å; L655-L661 HydrophobicContact CD2-CD2 3.88Å; M659-L661 HydrophobicContact CG-CD2 4.19Å; M659-L661 HydrophobicContact SD-CD2 4.42Å; L661-F663 HydrophobicContact CB-CD2 4.28Å; L661-F663 HydrophobicContact CB-CE2 3.66Å; L661-F663 HydrophobicContact CB-CZ 4.24Å; L661-F663 HydrophobicContact CD1-CE2 4.28Å; L661-F663 HydrophobicContact CD1-CZ 4.16Å; L661-G694 WeakPolarHBondContact CA-O 3.27Å; L661-I696 HydrophobicContact CB-CD1 4.23Å; L661-I696 HydrophobicContact CD1-CD1 4.05Å; L661-I696 HydrophobicContact CD2-CD1 4.24Å; L661-I696 HydrophobicContact CG-CD1 4.4Å
662	L	89.1	Confident	85	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.7	173.5	-55.1	-178.7	0	0	0	108.5	Y679 V693 G694 L695 I696 L717 F1128	L662-Y679 HydrophobicContact CB-CD2 4.03Å; L662-Y679 HydrophobicContact CB-CE2 3.79Å; L662-Y679 HydrophobicContact CD1-CD2 4.28Å; L662-Y679 HydrophobicContact CD1-CG 4.15Å; L662-Y679 HydrophobicContact CD2-CD1 3.86Å; L662-Y679 HydrophobicContact CD2-CE1 3.87Å; L662-Y679 HydrophobicContact CD2-CG 4.2Å; L662-V693 HydrophobicContact CD1-CG1 3.68Å; L662-V693 HydrophobicContact CD2-CG1 4.47Å; L662-V693 HydrophobicContact CG-CG1 3.67Å; L662-G694 PolarHBondContact N-O 3.47Å; L662-L695 HydrophobicContact CB-CD1 3.97Å; L662-I696 PolarHBondContact O-N 3.02Å; L662-L717 HydrophobicContact CD1-CD1 4.01Å; L662-F1128 HydrophobicContact CD2-CD1 4.34Å; L662-F1128 HydrophobicContact CD2-CE1 3.78Å; L662-F1128 HydrophobicContact CD2-CZ 3.9Å
663	F	89.5	Confident	85.1	Confident	45 Å²	45	55.7 Å²	55.7	20%	0.197	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.6	-175.4	-74.3	-89.9	0	0	0	110.7	L661 Y679 I696 V1141	L661-F663 HydrophobicContact CB-CD2 4.28Å; L661-F663 HydrophobicContact CB-CE2 3.66Å; L661-F663 HydrophobicContact CB-CZ 4.24Å; L661-F663 HydrophobicContact CD1-CE2 4.28Å; L661-F663 HydrophobicContact CD1-CZ 4.16Å; F663-Y679 PolarHBondContact N-OH 3.28Å; F663-Y679 PolarHBondContact O-OH 3.18Å; F663-I696 HydrophobicContact CD1-CB 3.97Å; F663-I696 HydrophobicContact CD1-CD1 4.05Å; F663-I696 HydrophobicContact CD1-CG2 3.89Å; F663-I696 HydrophobicContact CE1-CB 4.18Å; F663-I696 HydrophobicContact CE1-CD1 3.45Å; F663-I696 VanDerWaalsContact CE1-CD1 3.45Å; F663-I696 HydrophobicContact CE1-CG1 4.42Å; F663-I696 HydrophobicContact CE1-CG2 4.03Å; F663-I696 HydrophobicContact CE2-CD1 4.28Å; F663-I696 HydrophobicContact CZ-CD1 3.58Å; F663-V1141 HydrophobicContact CZ-CG1 4.49Å
664	V	89.5	Confident	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	79.5	175.1	-170.3	0	0	0	0	108.4	T672 I676 Y679 L695 I696 I697 S698 S701	V664-T672 HydrophobicContact CG1-CG2 4.14Å; V664-I676 HydrophobicContact CG1-CG1 4.38Å; V664-I676 HydrophobicContact CG2-CG1 4.48Å; V664-Y679 HydrophobicContact CG2-CD2 4.18Å; V664-Y679 HydrophobicContact CG2-CE2 3.86Å; V664-L695 HydrophobicContact CG2-CD1 3.94Å; V664-I696 PolarHBondContact N-O 3.35Å; V664-I697 HydrophobicContact CB-CB 4.23Å; V664-I697 HydrophobicContact CB-CD1 4.25Å; V664-I697 HydrophobicContact CB-CG1 3.98Å; V664-I697 HydrophobicContact CG1-CD1 4.11Å; V664-I697 HydrophobicContact CG1-CG1 4.17Å; V664-I697 WeakPolarHBondContact O-CA 3.15Å; V664-S698 PolarHBondContact O-N 3.38Å; V664-S701 WeakPolarHBondContact O-CB 3.44Å; V664-S701 PolarHBondContact O-OG 2.95Å
665	D	86.3	Confident	85.5	Confident	63 Å²	63	55.7 Å²	55.7	34%	0.337	30%	0.296	S	S	.	.			trans	-117.8	102.4	168.2	-171.3	26.7	0	0	0	109.9	S698 S701	D665-S698 WeakPolarHBondContact OD1-CB 3.38Å; D665-S698 PolarHBondContact OD1-OG 3.48Å; D665-S701 WeakPolarHBondContact CA-OG 3.44Å
666	K	87.6	Confident	85.7	Confident	55 Å²	55	55.5 Å²	55.5	24%	0.239	30%	0.296	C	S	.	.			trans	-145.1	142.1	-170.7	-70.3	-54.9	-154.1	162	0	109	E671 T672 S701	K666-E671 HydrophobicContact CB-CB 4.26Å; K666-E671 HydrophobicContact CD-CB 3.88Å; K666-E671 VanDerWaalsContact CD-OE2 3.27Å; K666-E671 WeakPolarHBondContact CD-OE2 3.4Å; K666-E671 HydrophobicContact CG-CB 4.12Å; K666-E671 IonicContact NZ-OE1 2.7Å; K666-E671 PolarHBondContact NZ-OE1 2.79Å; K666-E671 IonicContact NZ-OE2 3.19Å; K666-E671 PolarHBondContact NZ-OE2 3.36Å; K666-T672 WeakPolarHBondContact CB-OG1 3.35Å; K666-S701 PolarHBondContact N-OG 2.87Å; K666-S701 PolarHBondContact O-N 2.72Å; K666-S701 PolarHBondContact O-OG 3.36Å
667	N	82.4	Confident	86.1	Confident	95 Å²	95	55.7 Å²	55.7	51%	0.508	29%	0.294	S	S	.	.	S	Bend	trans	-86.1	-33.1	178.3	-67	-74.9	0	0	0	112.1	K700	N667-K700 WeakPolarHBondContact OD1-CD 3.48Å; N667-K700 PolarHBondContact OD1-NZ 3.41Å
668	D	87.2	Confident	86.9	Confident	101 Å²	101	52 Å²	52	54%	0.54	27%	0.267	S	S	.	.	S	Bend	trans	-108.3	153.2	-167.5	-60.8	-71.2	0	0	0	113.2	E671 T672	D668-E671 HydrophobicContact CB-CG 4.47Å; D668-T672 WeakPolarHBondContact O-CB 3.46Å; D668-T672 PolarHBondContact O-N 2.93Å; D668-T672 PolarHBondContact O-OG1 3.03Å
669	Y	87.8	Confident	87.7	Confident	87 Å²	87	52.2 Å²	52.2	34%	0.341	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-43.5	-175.2	178.1	-98.4	0	0	0	112.9	T672 R673 C704 D709 V710	Y669-T672 PolarHBondContact O-N 3.33Å; Y669-R673 VanDerWaalsContact O-CB 3.32Å; Y669-R673 WeakPolarHBondContact O-CB 3.12Å; Y669-R673 PolarHBondContact O-N 3.46Å; Y669-C704 HydrophobicContact CD2-CB 3.98Å; Y669-C704 WeakPolarHBondContact CD2-O 3.5Å; Y669-C704 WeakPolarHBondContact CE2-O 3.42Å; Y669-D709 PolarHBondContact OH-N 3.38Å; Y669-V710 HydrophobicContact CE2-CG2 4.13Å
670	E	88.4	Confident	88	Confident	150 Å²	150	53 Å²	53	70%	0.701	27%	0.265	S	S	*	.	H	α-helix	trans	-68	-44.4	-178.9	-61.9	-174.8	162.7	0	0	111.5	T672 R673 D674	E670-T672 VanDerWaalsContact C-N 3.3Å; E670-T672 PolarHBondContact O-N 2.84Å; E670-R673 WeakPolarHBondContact O-CB 3.45Å; E670-R673 PolarHBondContact O-N 2.9Å; E670-D674 PolarHBondContact O-N 3.08Å
671	E	89.9	Confident	88.1	Confident	93 Å²	93	59.8 Å²	59.8	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-38.1	173.6	-65.2	-151.5	119.1	0	0	112.6	K666 D668 C675	K666-E671 HydrophobicContact CB-CB 4.26Å; K666-E671 HydrophobicContact CD-CB 3.88Å; K666-E671 VanDerWaalsContact CD-OE2 3.27Å; K666-E671 WeakPolarHBondContact CD-OE2 3.4Å; K666-E671 HydrophobicContact CG-CB 4.12Å; K666-E671 IonicContact NZ-OE1 2.7Å; K666-E671 PolarHBondContact NZ-OE1 2.79Å; K666-E671 IonicContact NZ-OE2 3.19Å; K666-E671 PolarHBondContact NZ-OE2 3.36Å; D668-E671 HydrophobicContact CB-CG 4.47Å; E671-C675 WeakPolarHBondContact O-CB 3.29Å; E671-C675 PolarHBondContact O-N 3.13Å; E671-C675 VanDerWaalsContact O-N 3.17Å
672	T	88.6	Confident	87.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-46	176.8	-58.7	0	0	0	0	111	V664 K666 D668 Y669 E670 I676 S701 C704 A705	V664-T672 HydrophobicContact CG1-CG2 4.14Å; K666-T672 WeakPolarHBondContact CB-OG1 3.35Å; D668-T672 WeakPolarHBondContact O-CB 3.46Å; D668-T672 PolarHBondContact O-N 2.93Å; D668-T672 PolarHBondContact O-OG1 3.03Å; Y669-T672 PolarHBondContact O-N 3.33Å; E670-T672 VanDerWaalsContact C-N 3.3Å; E670-T672 PolarHBondContact O-N 2.84Å; T672-I676 HydrophobicContact CG2-CD1 3.82Å; T672-I676 WeakPolarHBondContact O-CG1 3.34Å; T672-I676 PolarHBondContact O-N 3.11Å; T672-S701 WeakPolarHBondContact CG2-O 3.39Å; T672-C704 HydrophobicContact CG2-CB 3.95Å; T672-A705 HydrophobicContact CG2-CB 4.44Å
673	R	89.9	Confident	87.5	Confident	110 Å²	110	60.5 Å²	60.5	42%	0.415	30%	0.298	S	S	.	.	H	α-helix	trans	-56.3	-54.6	177.4	172.3	179.8	179.9	-78.5	0.3	111.1	Y669 E670 C675 I676 L677 V710	Y669-R673 VanDerWaalsContact O-CB 3.32Å; Y669-R673 WeakPolarHBondContact O-CB 3.12Å; Y669-R673 PolarHBondContact O-N 3.46Å; E670-R673 WeakPolarHBondContact O-CB 3.45Å; E670-R673 PolarHBondContact O-N 2.9Å; R673-C675 VanDerWaalsContact C-N 3.31Å; R673-C675 PolarHBondContact O-N 3.45Å; R673-I676 PolarHBondContact O-N 2.77Å; R673-L677 HydrophobicContact CG-CD1 3.85Å; R673-L677 HydrophobicContact CG-CG 4.48Å; R673-L677 WeakPolarHBondContact O-CG 3.46Å; R673-L677 PolarHBondContact O-N 3.18Å; R673-V710 HydrophobicContact CB-CG2 3.72Å; R673-V710 HydrophobicContact CG-CG2 3.69Å
674	D	90.6	Very high	86.9	Confident	90 Å²	90	60.1 Å²	60.1	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-72.7	-29.9	-170.9	-68.3	2.9	0	0	0	111.2	E670 G678	E670-D674 PolarHBondContact O-N 3.08Å; D674-G678 PolarHBondContact O-N 3.11Å
675	C	89.9	Confident	86.1	Confident	29 Å²	29	68.1 Å²	68.1	20%	0.196	35%	0.35	C	S	.	.	H	α-helix	trans	-63	-45.9	168.7	-171.7	0	0	0	0	112.5	E671 R673 G678 Y679	E671-C675 WeakPolarHBondContact O-CB 3.29Å; E671-C675 PolarHBondContact O-N 3.13Å; E671-C675 VanDerWaalsContact O-N 3.17Å; R673-C675 VanDerWaalsContact C-N 3.31Å; R673-C675 PolarHBondContact O-N 3.45Å; C675-G678 PolarHBondContact O-N 2.97Å; C675-Y679 WeakPolarHBondContact O-CD2 3.16Å; C675-Y679 PolarHBondContact O-N 3.38Å; C675-Y679 VanDerWaalsContact O-N 3.13Å
676	I	89.6	Confident	85.4	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.8	-72.4	166.5	0	0	0	111.1	V664 T672 R673 Y679 I680 A705 V710 A713 F714 L717	V664-I676 HydrophobicContact CG1-CG1 4.38Å; V664-I676 HydrophobicContact CG2-CG1 4.48Å; T672-I676 HydrophobicContact CG2-CD1 3.82Å; T672-I676 WeakPolarHBondContact O-CG1 3.34Å; T672-I676 PolarHBondContact O-N 3.11Å; R673-I676 PolarHBondContact O-N 2.77Å; I676-Y679 PolarHBondContact O-N 3.07Å; I676-I680 HydrophobicContact CG2-CD1 3.95Å; I676-I680 WeakPolarHBondContact O-CD1 3.26Å; I676-I680 WeakPolarHBondContact O-CG1 3.5Å; I676-I680 PolarHBondContact O-N 3.07Å; I676-I680 VanDerWaalsContact O-N 3.16Å; I676-A705 HydrophobicContact CD1-CB 3.78Å; I676-V710 HydrophobicContact CB-CG1 4.38Å; I676-V710 HydrophobicContact CD1-CG1 3.85Å; I676-V710 HydrophobicContact CG2-CG1 4.18Å; I676-A713 HydrophobicContact CG2-CB 4.36Å; I676-F714 HydrophobicContact CD1-CB 4.34Å; I676-F714 HydrophobicContact CD1-CD2 3.87Å; I676-L717 HydrophobicContact CB-CD2 4.47Å; I676-L717 HydrophobicContact CG1-CD2 4.41Å; I676-L717 HydrophobicContact CG2-CD2 4.05Å
677	L	90.1	Very high	84.4	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.288	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-43.2	177.8	-68.3	174.1	0	0	0	111.8	R673 Y679 I680 E681 A713	R673-L677 HydrophobicContact CG-CD1 3.85Å; R673-L677 HydrophobicContact CG-CG 4.48Å; R673-L677 WeakPolarHBondContact O-CG 3.46Å; R673-L677 PolarHBondContact O-N 3.18Å; L677-Y679 VanDerWaalsContact C-N 3.34Å; L677-Y679 PolarHBondContact O-N 2.89Å; L677-I680 WeakPolarHBondContact O-CB 3.29Å; L677-I680 PolarHBondContact O-N 2.96Å; L677-E681 PolarHBondContact O-N 2.93Å; L677-A713 HydrophobicContact CD2-CB 4.27Å
678	G	88.9	Confident	83.6	Confident	29 Å²	29	66.3 Å²	66.3	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-42	175.1	0	0	0	0	0	113.1	D674 C675 I680 E681 D682	D674-G678 PolarHBondContact O-N 3.11Å; C675-G678 PolarHBondContact O-N 2.97Å; G678-I680 VanDerWaalsContact C-N 3.3Å; G678-I680 PolarHBondContact O-N 3.41Å; G678-E681 PolarHBondContact O-N 3.06Å; G678-D682 PolarHBondContact O-N 2.84Å
679	Y	87.6	Confident	82.8	Confident	24 Å²	24	67.1 Å²	67.1	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-26.6	175	-69.4	-29.9	0	0	0	114.1	L662 F663 V664 C675 I676 L677 L683 L717	L662-Y679 HydrophobicContact CB-CD2 4.03Å; L662-Y679 HydrophobicContact CB-CE2 3.79Å; L662-Y679 HydrophobicContact CD1-CD2 4.28Å; L662-Y679 HydrophobicContact CD1-CG 4.15Å; L662-Y679 HydrophobicContact CD2-CD1 3.86Å; L662-Y679 HydrophobicContact CD2-CE1 3.87Å; L662-Y679 HydrophobicContact CD2-CG 4.2Å; F663-Y679 PolarHBondContact N-OH 3.28Å; F663-Y679 PolarHBondContact O-OH 3.18Å; V664-Y679 HydrophobicContact CG2-CD2 4.18Å; V664-Y679 HydrophobicContact CG2-CE2 3.86Å; C675-Y679 WeakPolarHBondContact O-CD2 3.16Å; C675-Y679 PolarHBondContact O-N 3.38Å; C675-Y679 VanDerWaalsContact O-N 3.13Å; I676-Y679 PolarHBondContact O-N 3.07Å; L677-Y679 VanDerWaalsContact C-N 3.34Å; L677-Y679 PolarHBondContact O-N 2.89Å; Y679-L683 WeakPolarHBondContact O-CG 3.43Å; Y679-L683 PolarHBondContact O-N 3.46Å; Y679-L717 HydrophobicContact CD2-CD2 4.47Å
680	I	85.9	Confident	81.9	Confident	31 Å²	31	67.2 Å²	67.2	16%	0.159	37%	0.365	C	S	.	.	H	α-helix	trans	-74.4	-39.2	172.9	-69.4	163.1	0	0	0	110.6	I676 L677 G678 L683 G684 L687 A713 L717	I676-I680 HydrophobicContact CG2-CD1 3.95Å; I676-I680 WeakPolarHBondContact O-CD1 3.26Å; I676-I680 WeakPolarHBondContact O-CG1 3.5Å; I676-I680 PolarHBondContact O-N 3.07Å; I676-I680 VanDerWaalsContact O-N 3.16Å; L677-I680 WeakPolarHBondContact O-CB 3.29Å; L677-I680 PolarHBondContact O-N 2.96Å; G678-I680 VanDerWaalsContact C-N 3.3Å; G678-I680 PolarHBondContact O-N 3.41Å; I680-L683 PolarHBondContact O-N 3.37Å; I680-G684 PolarHBondContact O-N 3.07Å; I680-L687 HydrophobicContact CG1-CD1 4.21Å; I680-L687 HydrophobicContact CG2-CD1 4.19Å; I680-L687 HydrophobicContact CG2-CD2 3.96Å; I680-A713 HydrophobicContact CD1-CB 3.58Å; I680-A713 WeakPolarHBondContact CD1-O 3.39Å; I680-L717 HydrophobicContact CD1-CB 4.28Å; I680-L717 HydrophobicContact CG1-CB 4.02Å; I680-L717 HydrophobicContact CG1-CD1 4.38Å
681	E	86	Confident	81.2	Confident	161 Å²	161	60.3 Å²	60.3	75%	0.752	33%	0.333	S	S	*	.	H	α-helix	trans	-65.1	-41.5	173.4	-69.6	-178.3	-172.3	0	0	112.1	L677 G678 L683 G684	L677-E681 PolarHBondContact O-N 2.93Å; G678-E681 PolarHBondContact O-N 3.06Å; E681-L683 VanDerWaalsContact C-N 3.33Å; E681-L683 PolarHBondContact O-N 2.88Å; E681-G684 PolarHBondContact O-N 3.19Å
682	D	81.6	Confident	80.7	Confident	49 Å²	49	57.4 Å²	57.4	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-35.5	173.6	-90.2	-28.3	0	0	0	112.8	G678 F1128	G678-D682 PolarHBondContact O-N 2.84Å; D682-F1128 HydrophobicContact CB-CE1 3.59Å; D682-F1128 HydrophobicContact CB-CZ 3.85Å; D682-F1128 WeakPolarHBondContact OD2-CE1 3.47Å
683	L	79.8	Confident	80.5	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-75.6	-37.6	174.7	-77.2	170.5	0	0	0	112.3	Y679 I680 E681 N685 N686 L687 L717	Y679-L683 WeakPolarHBondContact O-CG 3.43Å; Y679-L683 PolarHBondContact O-N 3.46Å; I680-L683 PolarHBondContact O-N 3.37Å; E681-L683 VanDerWaalsContact C-N 3.33Å; E681-L683 PolarHBondContact O-N 2.88Å; L683-N685 PolarHBondContact O-N 3.2Å; L683-N686 WeakPolarHBondContact O-CB 3.31Å; L683-N686 PolarHBondContact O-N 3.16Å; L683-N686 PolarHBondContact O-ND2 2.65Å; L683-L687 HydrophobicContact CD1-CD1 4.32Å; L683-L717 HydrophobicContact CD1-CD1 3.55Å
684	G	77.3	Confident	80.4	Confident	37 Å²	37	52.3 Å²	52.3	38%	0.381	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	50.3	-121.7	176.6	0	0	0	0	0	113.1	I680 E681 N686 L687	I680-G684 PolarHBondContact O-N 3.07Å; E681-G684 PolarHBondContact O-N 3.19Å; G684-N686 PolarHBondContact O-N 2.63Å; G684-L687 WeakPolarHBondContact O-CB 3.3Å; G684-L687 PolarHBondContact O-N 2.72Å; G684-L687 VanDerWaalsContact O-N 3.1Å
685	N	72.5	Confident	80.5	Confident	169 Å²	169	48 Å²	48	90%	0.904	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63	-11.3	-179.3	-67.9	-20.8	0	0	0	114.9	L683 L687	L683-N685 PolarHBondContact O-N 3.2Å; N685-L687 VanDerWaalsContact C-N 3.35Å
686	N	71.6	Confident	80.7	Confident	46 Å²	46	46.7 Å²	46.7	25%	0.246	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-88.3	-2.8	177.1	-46.5	-76.1	0	0	0	112.6	L683 G684 G688 E689 N691	L683-N686 WeakPolarHBondContact O-CB 3.31Å; L683-N686 PolarHBondContact O-N 3.16Å; L683-N686 PolarHBondContact O-ND2 2.65Å; G684-N686 PolarHBondContact O-N 2.63Å; N686-G688 PolarHBondContact O-N 3.1Å; N686-E689 PolarHBondContact O-N 3.2Å; N686-N691 WeakPolarHBondContact CB-OD1 3.49Å; N686-N691 PolarHBondContact O-ND2 3.17Å
687	L	67.3	Low	80.8	Confident	61 Å²	61	46.7 Å²	46.7	32%	0.319	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	127.2	175.4	-165.3	78.2	0	0	0	110	I680 L683 G684 N685 D716	I680-L687 HydrophobicContact CG1-CD1 4.21Å; I680-L687 HydrophobicContact CG2-CD1 4.19Å; I680-L687 HydrophobicContact CG2-CD2 3.96Å; L683-L687 HydrophobicContact CD1-CD1 4.32Å; G684-L687 WeakPolarHBondContact O-CB 3.3Å; G684-L687 PolarHBondContact O-N 2.72Å; G684-L687 VanDerWaalsContact O-N 3.1Å; N685-L687 VanDerWaalsContact C-N 3.35Å; L687-D716 HydrophobicContact CD1-CB 4.39Å; L687-D716 HydrophobicContact CD2-CB 4.17Å; L687-D716 HydrophobicContact CG-CB 4.37Å
688	G	65.3	Low	80.8	Confident	67 Å²	67	44.4 Å²	44.4	69%	0.691	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	-7.9	-173.5	0	0	0	0	0	115.3	N686 S720	N686-G688 PolarHBondContact O-N 3.1Å; G688-S720 PolarHBondContact N-OG 3.25Å
689	E	69.3	Low	80.6	Confident	119 Å²	119	43.4 Å²	43.4	56%	0.556	25%	0.248	S	C	*	.	S	Bend	trans	-85.3	158.1	166	-63.4	-151.2	155.9	0	0	111.6	N686 N691 S720	N686-E689 PolarHBondContact O-N 3.2Å; E689-N691 PolarHBondContact O-N 2.99Å; E689-N691 PolarHBondContact O-ND2 2.74Å; E689-S720 VanDerWaalsContact O-O 3.12Å
690	D	70	Confident	80.6	Confident	88 Å²	88	48.2 Å²	48.2	47%	0.471	27%	0.269	S	S	.	.			trans	-78.4	87.6	178	-71.4	-52	0	0	0	111	K633	K633-D690 WeakPolarHBondContact CE-OD1 3.15Å; K633-D690 IonicContact NZ-OD1 3.58Å; K633-D690 PolarHBondContact NZ-OD1 3.02Å
691	N	73.8	Confident	80.8	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.3	-175.8	-69.4	-87.2	0	0	0	112.5	N686 E689 V693 S720 R722	N686-N691 WeakPolarHBondContact CB-OD1 3.49Å; N686-N691 PolarHBondContact O-ND2 3.17Å; E689-N691 PolarHBondContact O-N 2.99Å; E689-N691 PolarHBondContact O-ND2 2.74Å; N691-V693 HydrophobicContact CB-CB 4.4Å; N691-V693 HydrophobicContact CB-CG2 3.93Å; N691-V693 PolarHBondContact O-N 3.22Å; N691-S720 PolarHBondContact N-O 3.06Å; N691-S720 VanDerWaalsContact N-O 3.1Å; N691-R722 VanDerWaalsContact O-CB 3.27Å; N691-R722 WeakPolarHBondContact O-CB 3.47Å; N691-R722 PolarHBondContact O-N 3.15Å
692	D	78.3	Confident	81	Confident	32 Å²	32	39.1 Å²	39.1	17%	0.171	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	59.3	176.3	-157.8	37.7	0	0	0	112.2	M659 R722 L1117	M659-D692 WeakPolarHBondContact CE-OD1 3.4Å; D692-R722 WeakPolarHBondContact OD1-CD 3.49Å; D692-R722 IonicContact OD1-CZ 3.97Å; D692-R722 IonicContact OD1-NE 2.71Å; D692-R722 IonicContact OD1-NH1 3.95Å; D692-R722 PolarHBondContact OD1-NH1 2.81Å; D692-R722 IonicContact OD2-NH1 3.67Å; D692-L1117 HydrophobicContact CB-CD2 3.91Å
693	V	85.3	Confident	81.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.9	-174.4	179.3	0	0	0	0	108.8	A660 L662 N691 R722 V723 L1124	A660-V693 HydrophobicContact CB-CG2 4.39Å; A660-V693 WeakPolarHBondContact O-CA 3.44Å; L662-V693 HydrophobicContact CD1-CG1 3.68Å; L662-V693 HydrophobicContact CD2-CG1 4.47Å; L662-V693 HydrophobicContact CG-CG1 3.67Å; N691-V693 HydrophobicContact CB-CB 4.4Å; N691-V693 HydrophobicContact CB-CG2 3.93Å; N691-V693 PolarHBondContact O-N 3.22Å; V693-R722 PolarHBondContact O-N 3.12Å; V693-V723 PolarHBondContact O-N 2.83Å; V693-L1124 HydrophobicContact CG2-CD1 4.27Å
694	G	88.7	Confident	81.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.7	172.6	0	0	0	0	0	110.6	A660 L661 L662 V723	A660-G694 PolarHBondContact O-N 2.82Å; L661-G694 WeakPolarHBondContact CA-O 3.27Å; L662-G694 PolarHBondContact N-O 3.47Å; G694-V723 WeakPolarHBondContact CA-O 3.46Å
695	L	92.2	Very high	82.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	129.5	174	177.6	62.5	0	0	0	109.9	L662 V664 F714 L717 A718 C721 V723 V724 I725	L662-L695 HydrophobicContact CB-CD1 3.97Å; V664-L695 HydrophobicContact CG2-CD1 3.94Å; L695-F714 HydrophobicContact CD2-CE2 3.99Å; L695-F714 HydrophobicContact CD2-CZ 4.5Å; L695-L717 HydrophobicContact CD1-CD2 4.46Å; L695-L717 HydrophobicContact CD2-CG 4.42Å; L695-A718 HydrophobicContact CD2-CB 4Å; L695-C721 HydrophobicContact CB-CB 4.36Å; L695-V723 PolarHBondContact N-O 3.32Å; L695-V724 HydrophobicContact CB-CG1 4.3Å; L695-V724 HydrophobicContact CB-CG2 4.28Å; L695-V724 HydrophobicContact CD2-CG1 4.24Å; L695-V724 HydrophobicContact CG-CG1 4.36Å; L695-V724 CarbonylContact O-C 3.55Å; L695-V724 WeakPolarHBondContact O-CA 3.37Å; L695-I725 PolarHBondContact O-N 3.47Å
696	I	93	Very high	83.1	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.3	176.9	-62.7	161.4	0	0	0	107.4	Q642 V646 L661 L662 F663 V664 I725	Q642-I696 HydrophobicContact CG-CG2 3.86Å; V646-I696 HydrophobicContact CG2-CD1 3.66Å; V646-I696 HydrophobicContact CG2-CG1 4.34Å; V646-I696 HydrophobicContact CG2-CG2 4.42Å; L661-I696 HydrophobicContact CB-CD1 4.23Å; L661-I696 HydrophobicContact CD1-CD1 4.05Å; L661-I696 HydrophobicContact CD2-CD1 4.24Å; L661-I696 HydrophobicContact CG-CD1 4.4Å; L662-I696 PolarHBondContact O-N 3.02Å; F663-I696 HydrophobicContact CD1-CB 3.97Å; F663-I696 HydrophobicContact CD1-CD1 4.05Å; F663-I696 HydrophobicContact CD1-CG2 3.89Å; F663-I696 HydrophobicContact CE1-CB 4.18Å; F663-I696 HydrophobicContact CE1-CD1 3.45Å; F663-I696 VanDerWaalsContact CE1-CD1 3.45Å; F663-I696 HydrophobicContact CE1-CG1 4.42Å; F663-I696 HydrophobicContact CE1-CG2 4.03Å; F663-I696 HydrophobicContact CE2-CD1 4.28Å; F663-I696 HydrophobicContact CZ-CD1 3.58Å; V664-I696 PolarHBondContact N-O 3.35Å; I696-I725 WeakPolarHBondContact CA-O 3.37Å; I696-I725 HydrophobicContact CG1-CB 4.38Å
697	I	92.9	Very high	83.6	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.7	-176.8	-174.3	165.6	0	0	0	111.8	V664 L702 A705 F714 I725 C726 C727	V664-I697 HydrophobicContact CB-CB 4.23Å; V664-I697 HydrophobicContact CB-CD1 4.25Å; V664-I697 HydrophobicContact CB-CG1 3.98Å; V664-I697 HydrophobicContact CG1-CD1 4.11Å; V664-I697 HydrophobicContact CG1-CG1 4.17Å; V664-I697 WeakPolarHBondContact O-CA 3.15Å; I697-L702 HydrophobicContact CD1-CB 4.22Å; I697-L702 HydrophobicContact CD1-CD1 4.49Å; I697-L702 HydrophobicContact CG1-CB 4.24Å; I697-A705 HydrophobicContact CD1-CB 4.27Å; I697-F714 HydrophobicContact CD1-CD2 4.27Å; I697-F714 HydrophobicContact CD1-CE2 3.49Å; I697-F714 VanDerWaalsContact CD1-CE2 3.49Å; I697-F714 HydrophobicContact CD1-CZ 3.96Å; I697-I725 PolarHBondContact N-O 3.36Å; I697-C726 HydrophobicContact CG2-CB 4.08Å; I697-C726 WeakPolarHBondContact CG2-SG 3.37Å; I697-C726 CarbonylContact O-C 3.56Å; I697-C726 WeakPolarHBondContact O-CA 3.41Å; I697-C727 PolarHBondContact O-N 2.71Å
698	S	88.9	Confident	84.3	Confident	8 Å²	8	34.4 Å²	34.4	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.6	176.7	78	0	0	0	0	112.5	V664 D665 K700 S701 L702 C727	V664-S698 PolarHBondContact O-N 3.38Å; D665-S698 WeakPolarHBondContact OD1-CB 3.38Å; D665-S698 PolarHBondContact OD1-OG 3.48Å; S698-K700 PolarHBondContact O-N 3.15Å; S698-K700 VanDerWaalsContact O-N 3.08Å; S698-S701 PolarHBondContact O-N 2.93Å; S698-S701 VanDerWaalsContact O-N 3.12Å; S698-S701 PolarHBondContact OG-OG 2.82Å; S698-L702 WeakPolarHBondContact O-CB 3.19Å; S698-L702 PolarHBondContact O-N 2.79Å; S698-C727 CarbonylContact C-O 3.56Å
699	G	85.2	Confident	85.3	Confident	7 Å²	7	38.5 Å²	38.5	7%	0.072	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-24.4	-176.6	0	0	0	0	0	115.3	H703 C727 Q733	G699-H703 PolarHBondContact O-N 3.4Å; G699-C727 PolarHBondContact N-O 3.08Å; G699-Q733 PolarHBondContact O-NE2 2.76Å
700	K	86.8	Confident	86.3	Confident	126 Å²	126	33.2 Å²	33.2	55%	0.548	18%	0.177	S	C	.	.	H	α-helix	trans	-72.8	-54.5	172.8	-70.2	-179.2	172.5	178.2	0	111.4	N667 S698 L702 H703 C704	N667-K700 WeakPolarHBondContact OD1-CD 3.48Å; N667-K700 PolarHBondContact OD1-NZ 3.41Å; S698-K700 PolarHBondContact O-N 3.15Å; S698-K700 VanDerWaalsContact O-N 3.08Å; K700-L702 PolarHBondContact O-N 3.13Å; K700-H703 WeakPolarHBondContact O-CB 3.33Å; K700-H703 PolarHBondContact O-N 2.97Å; K700-H703 VanDerWaalsContact O-N 3.11Å; K700-C704 PolarHBondContact O-N 2.81Å
701	S	90.9	Very high	87.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-36.8	176.1	-30.3	0	0	0	0	111.4	V664 D665 K666 T672 S698 H703 C704 A705	V664-S701 WeakPolarHBondContact O-CB 3.44Å; V664-S701 PolarHBondContact O-OG 2.95Å; D665-S701 WeakPolarHBondContact CA-OG 3.44Å; K666-S701 PolarHBondContact N-OG 2.87Å; K666-S701 PolarHBondContact O-N 2.72Å; K666-S701 PolarHBondContact O-OG 3.36Å; T672-S701 WeakPolarHBondContact CG2-O 3.39Å; S698-S701 PolarHBondContact O-N 2.93Å; S698-S701 VanDerWaalsContact O-N 3.12Å; S698-S701 PolarHBondContact OG-OG 2.82Å; S701-H703 PolarHBondContact O-N 3.47Å; S701-C704 CarbonylContact O-C 3.51Å; S701-C704 WeakPolarHBondContact O-CA 3.29Å; S701-C704 WeakPolarHBondContact O-CB 3.49Å; S701-C704 PolarHBondContact O-N 3.35Å; S701-C704 VanDerWaalsContact O-N 3.12Å; S701-A705 WeakPolarHBondContact O-CB 3.34Å; S701-A705 PolarHBondContact O-N 3.17Å
702	L	90.6	Very high	88	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174	177.7	68.7	0	0	0	112	I697 S698 K700 C704 A705 L706 F714 V729 Q733 I737	I697-L702 HydrophobicContact CD1-CB 4.22Å; I697-L702 HydrophobicContact CD1-CD1 4.49Å; I697-L702 HydrophobicContact CG1-CB 4.24Å; S698-L702 WeakPolarHBondContact O-CB 3.19Å; S698-L702 PolarHBondContact O-N 2.79Å; K700-L702 PolarHBondContact O-N 3.13Å; L702-C704 VanDerWaalsContact C-N 3.29Å; L702-C704 PolarHBondContact O-N 3.28Å; L702-A705 PolarHBondContact O-N 2.97Å; L702-L706 HydrophobicContact CD1-CD1 3.97Å; L702-L706 HydrophobicContact CD1-CD2 4.47Å; L702-L706 HydrophobicContact CD1-CG 3.94Å; L702-L706 HydrophobicContact CD2-CD1 4.36Å; L702-L706 HydrophobicContact CG-CD1 3.77Å; L702-L706 HydrophobicContact CG-CG 4.18Å; L702-L706 WeakPolarHBondContact O-CB 3.34Å; L702-L706 VanDerWaalsContact O-CG 3.24Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 2.77Å; L702-F714 HydrophobicContact CD1-CE1 4.36Å; L702-F714 HydrophobicContact CD1-CZ 4.28Å; L702-V729 HydrophobicContact CD2-CG1 3.82Å; L702-V729 HydrophobicContact CD2-CG2 4.02Å; L702-Q733 HydrophobicContact CD2-CB 4.04Å; L702-I737 HydrophobicContact CD1-CD1 3.84Å; L702-I737 HydrophobicContact CD1-CG1 4.01Å; L702-I737 HydrophobicContact CD2-CD1 3.68Å; L702-I737 HydrophobicContact CD2-CG1 4.39Å; L702-I737 HydrophobicContact CG-CD1 4.39Å
703	H	88.1	Confident	88.6	Confident	100 Å²	100	35.5 Å²	35.5	46%	0.463	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-42.5	173.1	-176.8	-78.7	0	0	0	111.1	G699 K700 S701 Y707	G699-H703 PolarHBondContact O-N 3.4Å; K700-H703 WeakPolarHBondContact O-CB 3.33Å; K700-H703 PolarHBondContact O-N 2.97Å; K700-H703 VanDerWaalsContact O-N 3.11Å; S701-H703 PolarHBondContact O-N 3.47Å; H703-Y707 AromaticContact CD2-CE2 3.76Å; H703-Y707 AromaticContact CE1-CD2 3.88Å; H703-Y707 AromaticContact CE1-CE2 3.86Å; H703-Y707 AromaticContact NE2-CE2 3.6Å; H703-Y707 VanDerWaalsContact O-CD2 3.22Å; H703-Y707 WeakPolarHBondContact O-CD2 3Å
704	C	88.9	Confident	88.8	Confident	18 Å²	18	35.6 Å²	35.6	12%	0.122	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-33	175.5	-64.7	0	0	0	0	113.4	Y669 T672 K700 S701 L702	Y669-C704 HydrophobicContact CD2-CB 3.98Å; Y669-C704 WeakPolarHBondContact CD2-O 3.5Å; Y669-C704 WeakPolarHBondContact CE2-O 3.42Å; T672-C704 HydrophobicContact CG2-CB 3.95Å; K700-C704 PolarHBondContact O-N 2.81Å; S701-C704 CarbonylContact O-C 3.51Å; S701-C704 WeakPolarHBondContact O-CA 3.29Å; S701-C704 WeakPolarHBondContact O-CB 3.49Å; S701-C704 PolarHBondContact O-N 3.35Å; S701-C704 VanDerWaalsContact O-N 3.12Å; L702-C704 VanDerWaalsContact C-N 3.29Å; L702-C704 PolarHBondContact O-N 3.28Å
705	A	90.1	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-83.8	-23.6	-179.7	0	0	0	0	0	114	T672 I676 I697 S701 L702 K711 F714	T672-A705 HydrophobicContact CG2-CB 4.44Å; I676-A705 HydrophobicContact CD1-CB 3.78Å; I697-A705 HydrophobicContact CD1-CB 4.27Å; S701-A705 WeakPolarHBondContact O-CB 3.34Å; S701-A705 PolarHBondContact O-N 3.17Å; L702-A705 PolarHBondContact O-N 2.97Å; A705-K711 WeakPolarHBondContact O-CA 3.47Å; A705-F714 HydrophobicContact CB-CB 4.13Å; A705-F714 HydrophobicContact CB-CD1 4.25Å; A705-F714 HydrophobicContact CB-CD2 3.85Å; A705-F714 HydrophobicContact CB-CE2 4.37Å; A705-F714 HydrophobicContact CB-CG 3.78Å
706	L	87.8	Confident	88.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-78.1	-20.9	178.4	-77.7	172.2	0	0	0	113.3	L702 K711 Q733 E736 M740	L702-L706 HydrophobicContact CD1-CD1 3.97Å; L702-L706 HydrophobicContact CD1-CD2 4.47Å; L702-L706 HydrophobicContact CD1-CG 3.94Å; L702-L706 HydrophobicContact CD2-CD1 4.36Å; L702-L706 HydrophobicContact CG-CD1 3.77Å; L702-L706 HydrophobicContact CG-CG 4.18Å; L702-L706 WeakPolarHBondContact O-CB 3.34Å; L702-L706 VanDerWaalsContact O-CG 3.24Å; L702-L706 WeakPolarHBondContact O-CG 3.48Å; L702-L706 PolarHBondContact O-N 2.77Å; L706-K711 WeakPolarHBondContact O-CD 3.3Å; L706-K711 PolarHBondContact O-NZ 2.95Å; L706-Q733 HydrophobicContact CD1-CB 4.49Å; L706-Q733 HydrophobicContact CD1-CG 4.43Å; L706-E736 HydrophobicContact CD1-CB 4.11Å; L706-E736 HydrophobicContact CD2-CB 4.46Å; L706-M740 HydrophobicContact CD2-CE 3.43Å; L706-M740 VanDerWaalsContact CD2-CE 3.43Å; L706-M740 HydrophobicContact CD2-SD 3.77Å
707	Y	83.3	Confident	88.5	Confident	100 Å²	100	40.1 Å²	40.1	39%	0.392	22%	0.218	S	C	.	.	S	Bend	trans	-120.1	159	-177.4	-54.7	-53.3	0	0	0	111.7	H703 E736	H703-Y707 AromaticContact CD2-CE2 3.76Å; H703-Y707 AromaticContact CE1-CD2 3.88Å; H703-Y707 AromaticContact CE1-CE2 3.86Å; H703-Y707 AromaticContact NE2-CE2 3.6Å; H703-Y707 VanDerWaalsContact O-CD2 3.22Å; H703-Y707 WeakPolarHBondContact O-CD2 3Å; Y707-E736 VanDerWaalsContact OH-CD 3.3Å; Y707-E736 PolarHBondContact OH-OE1 3.29Å; Y707-E736 PolarHBondContact OH-OE2 3.13Å
708	G	80.5	Confident	88.4	Confident	49 Å²	49	40.2 Å²	40.2	51%	0.505	22%	0.219	S	C	.	.	S	Bend	trans	70.4	-169.9	-178	0	0	0	0	0	114.6	V710 K711	G708-V710 PolarHBondContact O-N 3.41Å; G708-K711 PolarHBondContact O-N 3.48Å
709	D	86.3	Confident	88.3	Confident	152 Å²	152	41.4 Å²	41.4	81%	0.813	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.7	-168.6	-54.6	-42.3	0	0	0	114.1	Y669 K711 P712	Y669-D709 PolarHBondContact OH-N 3.38Å; D709-K711 VanDerWaalsContact C-N 3.31Å; D709-P712 VanDerWaalsContact O-CD 3.29Å; D709-P712 WeakPolarHBondContact O-CD 3.25Å
710	V	90.4	Very high	88.4	Confident	8 Å²	8	41.1 Å²	41.1	5%	0.048	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.5	177.6	-174.3	0	0	0	0	111.9	Y669 R673 I676 G708 A713 F714	Y669-V710 HydrophobicContact CE2-CG2 4.13Å; R673-V710 HydrophobicContact CB-CG2 3.72Å; R673-V710 HydrophobicContact CG-CG2 3.69Å; I676-V710 HydrophobicContact CB-CG1 4.38Å; I676-V710 HydrophobicContact CD1-CG1 3.85Å; I676-V710 HydrophobicContact CG2-CG1 4.18Å; G708-V710 PolarHBondContact O-N 3.41Å; V710-A713 WeakPolarHBondContact O-CB 3.4Å; V710-A713 PolarHBondContact O-N 2.72Å; V710-A713 VanDerWaalsContact O-N 3.1Å; V710-F714 PolarHBondContact O-N 2.82Å
711	K	89.8	Confident	88.3	Confident	73 Å²	73	35.1 Å²	35.1	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-52.2	-44.3	-172.8	-164.5	-166.9	-171.3	94.6	0	114.6	A705 L706 G708 D709 F714 V715 M740	A705-K711 WeakPolarHBondContact O-CA 3.47Å; L706-K711 WeakPolarHBondContact O-CD 3.3Å; L706-K711 PolarHBondContact O-NZ 2.95Å; G708-K711 PolarHBondContact O-N 3.48Å; D709-K711 VanDerWaalsContact C-N 3.31Å; K711-F714 PolarHBondContact O-N 3.49Å; K711-V715 WeakPolarHBondContact O-CG2 3.41Å; K711-V715 PolarHBondContact O-N 3.18Å; K711-M740 HydrophobicContact CG-SD 3.97Å
712	P	90	Very high	88	Confident	81 Å²	81	38.6 Å²	38.6	53%	0.526	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-44.6	178	-19.1	33.9	0	0	0	112.2	D709 F714 V715 D716	D709-P712 VanDerWaalsContact O-CD 3.29Å; D709-P712 WeakPolarHBondContact O-CD 3.25Å; P712-F714 PolarHBondContact O-N 2.89Å; P712-V715 WeakPolarHBondContact O-CB 3.37Å; P712-V715 PolarHBondContact O-N 3.17Å; P712-V715 VanDerWaalsContact O-N 3.13Å; P712-D716 PolarHBondContact O-N 2.95Å
713	A	90	Very high	87.9	Confident	21 Å²	21	38.6 Å²	38.6	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-43.4	176.1	0	0	0	0	0	111.9	I676 L677 I680 V710 V715 D716 L717	I676-A713 HydrophobicContact CG2-CB 4.36Å; L677-A713 HydrophobicContact CD2-CB 4.27Å; I680-A713 HydrophobicContact CD1-CB 3.58Å; I680-A713 WeakPolarHBondContact CD1-O 3.39Å; V710-A713 WeakPolarHBondContact O-CB 3.4Å; V710-A713 PolarHBondContact O-N 2.72Å; V710-A713 VanDerWaalsContact O-N 3.1Å; A713-V715 VanDerWaalsContact C-N 3.34Å; A713-V715 PolarHBondContact O-N 3.12Å; A713-D716 PolarHBondContact O-N 3.43Å; A713-L717 WeakPolarHBondContact O-CB 3.38Å; A713-L717 PolarHBondContact O-N 3.3Å
714	F	91.5	Very high	88.1	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-41	173.6	178.4	-105.4	0	0	0	112.5	I676 L695 I697 L702 A705 V710 K711 P712 A718 M740	I676-F714 HydrophobicContact CD1-CB 4.34Å; I676-F714 HydrophobicContact CD1-CD2 3.87Å; L695-F714 HydrophobicContact CD2-CE2 3.99Å; L695-F714 HydrophobicContact CD2-CZ 4.5Å; I697-F714 HydrophobicContact CD1-CD2 4.27Å; I697-F714 HydrophobicContact CD1-CE2 3.49Å; I697-F714 VanDerWaalsContact CD1-CE2 3.49Å; I697-F714 HydrophobicContact CD1-CZ 3.96Å; L702-F714 HydrophobicContact CD1-CE1 4.36Å; L702-F714 HydrophobicContact CD1-CZ 4.28Å; A705-F714 HydrophobicContact CB-CB 4.13Å; A705-F714 HydrophobicContact CB-CD1 4.25Å; A705-F714 HydrophobicContact CB-CD2 3.85Å; A705-F714 HydrophobicContact CB-CE2 4.37Å; A705-F714 HydrophobicContact CB-CG 3.78Å; V710-F714 PolarHBondContact O-N 2.82Å; K711-F714 PolarHBondContact O-N 3.49Å; P712-F714 PolarHBondContact O-N 2.89Å; F714-A718 HydrophobicContact CE1-CB 4.47Å; F714-A718 HydrophobicContact CZ-CB 4.36Å; F714-A718 VanDerWaalsContact O-CB 3.23Å; F714-A718 WeakPolarHBondContact O-CB 3.48Å; F714-A718 PolarHBondContact O-N 3.3Å; F714-M740 HydrophobicContact CD1-CE 3.88Å; F714-M740 HydrophobicContact CD1-SD 4.44Å; F714-M740 HydrophobicContact CE1-CE 3.7Å
715	V	89.9	Confident	88.4	Confident	17 Å²	17	33 Å²	33	10%	0.103	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-53.1	174.5	169.2	0	0	0	0	110.3	K711 P712 A713 L717 A718 L719 M740	K711-V715 WeakPolarHBondContact O-CG2 3.41Å; K711-V715 PolarHBondContact O-N 3.18Å; P712-V715 WeakPolarHBondContact O-CB 3.37Å; P712-V715 PolarHBondContact O-N 3.17Å; P712-V715 VanDerWaalsContact O-N 3.13Å; A713-V715 VanDerWaalsContact C-N 3.34Å; A713-V715 PolarHBondContact O-N 3.12Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 3.39Å; V715-A718 PolarHBondContact O-N 3.48Å; V715-A718 VanDerWaalsContact O-N 3.15Å; V715-L719 HydrophobicContact CG1-CD1 3.76Å; V715-L719 HydrophobicContact CG1-CG 3.94Å; V715-L719 WeakPolarHBondContact O-CB 3.27Å; V715-L719 VanDerWaalsContact O-CG 3.25Å; V715-L719 WeakPolarHBondContact O-CG 3.38Å; V715-L719 PolarHBondContact O-N 2.97Å; V715-M740 HydrophobicContact CG2-CE 4.41Å; V715-M740 HydrophobicContact CG2-CG 3.57Å; V715-M740 HydrophobicContact CG2-SD 3.49Å; V715-M740 WeakPolarHBondContact CG2-SD 3.5Å
716	D	88	Confident	88.5	Confident	81 Å²	81	33 Å²	33	43%	0.433	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-38.2	-176.6	-66.7	-29	0	0	0	112.2	L687 P712 A713 S720	L687-D716 HydrophobicContact CD1-CB 4.39Å; L687-D716 HydrophobicContact CD2-CB 4.17Å; L687-D716 HydrophobicContact CG-CB 4.37Å; P712-D716 PolarHBondContact O-N 2.95Å; A713-D716 PolarHBondContact O-N 3.43Å; D716-S720 WeakPolarHBondContact O-CB 3.19Å; D716-S720 PolarHBondContact O-N 3.29Å; D716-S720 VanDerWaalsContact O-N 3.08Å; D716-S720 PolarHBondContact O-OG 3.5Å
717	L	89.7	Confident	88.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-51.7	171.6	178.8	60.9	0	0	0	112	L662 I676 Y679 I680 L683 L695 A713 V715 L719 S720 C721	L662-L717 HydrophobicContact CD1-CD1 4.01Å; I676-L717 HydrophobicContact CB-CD2 4.47Å; I676-L717 HydrophobicContact CG1-CD2 4.41Å; I676-L717 HydrophobicContact CG2-CD2 4.05Å; Y679-L717 HydrophobicContact CD2-CD2 4.47Å; I680-L717 HydrophobicContact CD1-CB 4.28Å; I680-L717 HydrophobicContact CG1-CB 4.02Å; I680-L717 HydrophobicContact CG1-CD1 4.38Å; L683-L717 HydrophobicContact CD1-CD1 3.55Å; L695-L717 HydrophobicContact CD1-CD2 4.46Å; L695-L717 HydrophobicContact CD2-CG 4.42Å; A713-L717 WeakPolarHBondContact O-CB 3.38Å; A713-L717 PolarHBondContact O-N 3.3Å; V715-L717 VanDerWaalsContact C-N 3.3Å; V715-L717 PolarHBondContact O-N 3.39Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.45Å; L717-S720 PolarHBondContact O-N 2.65Å; L717-C721 PolarHBondContact O-N 3.19Å; L717-C721 PolarHBondContact O-SG 3.04Å
718	A	89.9	Confident	88.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-32.8	-177.8	0	0	0	0	0	112.9	W635 L695 F714 V715 V724	W635-A718 HydrophobicContact CH2-CB 3.64Å; W635-A718 HydrophobicContact CZ2-CB 4.13Å; W635-A718 WeakPolarHBondContact CZ2-O 3.4Å; W635-A718 HydrophobicContact CZ3-CB 4.36Å; L695-A718 HydrophobicContact CD2-CB 4Å; F714-A718 HydrophobicContact CE1-CB 4.47Å; F714-A718 HydrophobicContact CZ-CB 4.36Å; F714-A718 VanDerWaalsContact O-CB 3.23Å; F714-A718 WeakPolarHBondContact O-CB 3.48Å; F714-A718 PolarHBondContact O-N 3.3Å; V715-A718 PolarHBondContact O-N 3.48Å; V715-A718 VanDerWaalsContact O-N 3.15Å; A718-V724 HydrophobicContact CB-CG2 4.29Å
719	L	87.4	Confident	88.9	Confident	34 Å²	34	32.6 Å²	32.6	18%	0.178	16%	0.164	C	C	.	.	H	α-helix	trans	-75.3	-28.3	175.5	-64.4	-165.5	0	0	0	113.1	Y374 K633 W635 V715 L717 C721 I745	Y374-L719 HydrophobicContact CE1-CD2 4.2Å; K633-L719 PolarHBondContact NZ-O 2.66Å; W635-L719 HydrophobicContact CH2-CD2 4.04Å; W635-L719 HydrophobicContact CZ2-CD2 3.9Å; V715-L719 HydrophobicContact CG1-CD1 3.76Å; V715-L719 HydrophobicContact CG1-CG 3.94Å; V715-L719 WeakPolarHBondContact O-CB 3.27Å; V715-L719 VanDerWaalsContact O-CG 3.25Å; V715-L719 WeakPolarHBondContact O-CG 3.38Å; V715-L719 PolarHBondContact O-N 2.97Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.45Å; L719-C721 VanDerWaalsContact C-N 3.31Å; L719-I745 HydrophobicContact CD1-CD1 3.76Å; L719-I745 HydrophobicContact CD1-CG1 3.65Å; L719-I745 HydrophobicContact CD2-CD1 3.64Å; L719-I745 HydrophobicContact CD2-CG1 4.34Å; L719-I745 HydrophobicContact CG-CD1 4.35Å
720	S	86.1	Confident	88.7	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-70.9	-27.8	173.7	-57.9	0	0	0	0	112.5	G688 E689 N691 D716 L717	G688-S720 PolarHBondContact N-OG 3.25Å; E689-S720 VanDerWaalsContact O-O 3.12Å; N691-S720 PolarHBondContact N-O 3.06Å; N691-S720 VanDerWaalsContact N-O 3.1Å; D716-S720 WeakPolarHBondContact O-CB 3.19Å; D716-S720 PolarHBondContact O-N 3.29Å; D716-S720 VanDerWaalsContact O-N 3.08Å; D716-S720 PolarHBondContact O-OG 3.5Å; L717-S720 PolarHBondContact O-N 2.65Å
721	C	85.5	Confident	88.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	151.6	176.3	-64.1	0	0	0	0	111.9	K633 L695 L717 L719 V724	K633-C721 PolarHBondContact NZ-O 2.97Å; L695-C721 HydrophobicContact CB-CB 4.36Å; L717-C721 PolarHBondContact O-N 3.19Å; L717-C721 PolarHBondContact O-SG 3.04Å; L719-C721 VanDerWaalsContact C-N 3.31Å; C721-V724 HydrophobicContact CB-CG2 4.31Å
722	R	83.6	Confident	87.9	Confident	73 Å²	73	31.3 Å²	31.3	28%	0.275	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-34.6	172.5	174.4	-176.5	159.6	-172.3	-6.4	111.3	M659 N691 D692 V693	M659-R722 HydrophobicContact CE-CB 4.24Å; M659-R722 HydrophobicContact CE-CG 4.36Å; N691-R722 VanDerWaalsContact O-CB 3.27Å; N691-R722 WeakPolarHBondContact O-CB 3.47Å; N691-R722 PolarHBondContact O-N 3.15Å; D692-R722 WeakPolarHBondContact OD1-CD 3.49Å; D692-R722 IonicContact OD1-CZ 3.97Å; D692-R722 IonicContact OD1-NE 2.71Å; D692-R722 IonicContact OD1-NH1 3.95Å; D692-R722 PolarHBondContact OD1-NH1 2.81Å; D692-R722 IonicContact OD2-NH1 3.67Å; V693-R722 PolarHBondContact O-N 3.12Å
723	V	89.2	Confident	87.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.6	-178.4	175.1	0	0	0	0	109.1	L654 L655 M659 V693 G694 L695 I725	L654-V723 HydrophobicContact CD1-CG1 4.11Å; L654-V723 HydrophobicContact CD1-CG2 3.66Å; L654-V723 HydrophobicContact CD2-CG1 3.87Å; L654-V723 HydrophobicContact CG-CG1 3.7Å; L654-V723 HydrophobicContact CG-CG2 3.96Å; L655-V723 HydrophobicContact CD2-CG1 3.97Å; M659-V723 HydrophobicContact CE-CG2 4.11Å; M659-V723 HydrophobicContact SD-CB 4.48Å; M659-V723 HydrophobicContact SD-CG2 4.45Å; V693-V723 PolarHBondContact O-N 2.83Å; G694-V723 WeakPolarHBondContact CA-O 3.46Å; L695-V723 PolarHBondContact N-O 3.32Å; V723-I725 HydrophobicContact CG1-CD1 4.48Å; V723-I725 HydrophobicContact CG1-CG1 3.99Å
724	V	93.2	Very high	87.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.7	167.3	-174.2	0	0	0	0	108.3	W635 M636 L695 A718 C721	W635-V724 CarbonylContact C-O 3.38Å; W635-V724 VanDerWaalsContact CA-O 3.24Å; W635-V724 WeakPolarHBondContact CA-O 3.41Å; W635-V724 HydrophobicContact CB-CB 4.31Å; W635-V724 HydrophobicContact CD2-CB 3.65Å; W635-V724 HydrophobicContact CD2-CG1 4.42Å; W635-V724 HydrophobicContact CD2-CG2 3.71Å; W635-V724 VanDerWaalsContact CE2-CG2 3.44Å; W635-V724 HydrophobicContact CE3-CB 3.99Å; W635-V724 HydrophobicContact CE3-CG1 4.26Å; W635-V724 HydrophobicContact CE3-CG2 4.16Å; W635-V724 HydrophobicContact CG-CB 3.76Å; W635-V724 HydrophobicContact CG-CG2 4.12Å; W635-V724 HydrophobicContact CH2-CG2 4.24Å; W635-V724 HydrophobicContact CZ2-CG2 3.75Å; W635-V724 HydrophobicContact CZ3-CG2 4.41Å; M636-V724 PolarHBondContact N-O 2.96Å; L695-V724 HydrophobicContact CB-CG1 4.3Å; L695-V724 HydrophobicContact CB-CG2 4.28Å; L695-V724 HydrophobicContact CD2-CG1 4.24Å; L695-V724 HydrophobicContact CG-CG1 4.36Å; L695-V724 CarbonylContact O-C 3.55Å; L695-V724 WeakPolarHBondContact O-CA 3.37Å; A718-V724 HydrophobicContact CB-CG2 4.29Å; C721-V724 HydrophobicContact CB-CG2 4.31Å
725	I	94	Very high	87.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.3	174.3	-55	-175.2	0	0	0	107.7	M636 A645 L655 L695 I696 I697 V723	M636-I725 HydrophobicContact CB-CG1 4.27Å; M636-I725 HydrophobicContact CB-CG2 4.3Å; M636-I725 CarbonylContact O-C 3.56Å; M636-I725 WeakPolarHBondContact O-CA 3.31Å; M636-I725 HydrophobicContact SD-CG2 4.17Å; A645-I725 HydrophobicContact CB-CG2 3.87Å; L655-I725 HydrophobicContact CD1-CD1 3.88Å; L655-I725 HydrophobicContact CD2-CD1 3.98Å; L655-I725 HydrophobicContact CG-CD1 3.96Å; L695-I725 PolarHBondContact O-N 3.47Å; I696-I725 WeakPolarHBondContact CA-O 3.37Å; I696-I725 HydrophobicContact CG1-CB 4.38Å; I697-I725 PolarHBondContact N-O 3.36Å; V723-I725 HydrophobicContact CG1-CD1 4.48Å; V723-I725 HydrophobicContact CG1-CG1 3.99Å
726	C	93.3	Very high	87.6	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.9	176	-55.7	0	0	0	0	108.7	M636 L637 T638 I697 V729 I737	M636-C726 PolarHBondContact O-N 2.82Å; L637-C726 HydrophobicContact CD2-CB 3.7Å; L637-C726 VanDerWaalsContact CD2-SG 3.58Å; T638-C726 PolarHBondContact N-O 2.8Å; I697-C726 HydrophobicContact CG2-CB 4.08Å; I697-C726 WeakPolarHBondContact CG2-SG 3.37Å; I697-C726 CarbonylContact O-C 3.56Å; I697-C726 WeakPolarHBondContact O-CA 3.41Å; C726-V729 VanDerWaalsContact C-CG2 3.4Å; C726-V729 HydrophobicContact CB-CG2 3.39Å; C726-V729 WeakPolarHBondContact O-CG2 3.48Å; C726-I737 HydrophobicContact CB-CD1 4.2Å
727	C	90	Very high	87.9	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.2	-171.6	-50	0	0	0	0	111.3	T638 Q642 I697 S698 G699 V729	T638-C727 CarbonylContact O-C 3.51Å; Q642-C727 HydrophobicContact CB-CB 4.12Å; I697-C727 PolarHBondContact O-N 2.71Å; S698-C727 CarbonylContact C-O 3.56Å; G699-C727 PolarHBondContact N-O 3.08Å; C727-V729 PolarHBondContact O-N 3.15Å
728	R	84.5	Confident	88	Confident	133 Å²	133	25.9 Å²	25.9	50%	0.502	13%	0.128	S	C	.	.	S	Bend	trans	50.7	39.4	-174.8	-54.1	-171	-169.8	-168.3	5.7	113.6	T638 G639 D640	T638-R728 PolarHBondContact O-N 2.82Å; T638-R728 VanDerWaalsContact O-N 3.09Å; G639-R728 WeakPolarHBondContact O-CA 3.41Å; D640-R728 WeakPolarHBondContact O-CG 3.47Å; D640-R728 PolarHBondContact O-N 2.9Å
729	V	85.2	Confident	88.1	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.03	14%	0.14	C	C	.	.			trans	-87.4	126.5	-176.5	-171.8	0	0	0	0	111	T638 L702 C726 C727 Q733 K734	T638-V729 PolarHBondContact O-N 3.46Å; L702-V729 HydrophobicContact CD2-CG1 3.82Å; L702-V729 HydrophobicContact CD2-CG2 4.02Å; C726-V729 VanDerWaalsContact C-CG2 3.4Å; C726-V729 HydrophobicContact CB-CG2 3.39Å; C726-V729 WeakPolarHBondContact O-CG2 3.48Å; C727-V729 PolarHBondContact O-N 3.15Å; V729-Q733 HydrophobicContact CG1-CB 3.58Å; V729-K734 HydrophobicContact CB-CG 4.31Å; V729-K734 HydrophobicContact CG1-CB 4.5Å; V729-K734 HydrophobicContact CG1-CG 3.7Å
730	S	80.5	Confident	88.3	Confident	43 Å²	43	27.4 Å²	27.4	30%	0.301	14%	0.136	S	C	.	.			trans	-73.3	154.9	174.3	65.8	0	0	0	0	112.6	I732 Q733 K734	S730-I732 PolarHBondContact O-N 3.08Å; S730-I732 VanDerWaalsContact O-N 3.1Å; S730-Q733 PolarHBondContact O-N 3.32Å; S730-Q733 VanDerWaalsContact OG-CG 3.32Å; S730-Q733 WeakPolarHBondContact OG-CG 3.39Å; S730-Q733 PolarHBondContact OG-OE1 2.94Å; S730-K734 PolarHBondContact O-N 3.31Å
731	P	80.3	Confident	88.6	Confident	47 Å²	47	27.4 Å²	27.4	31%	0.305	14%	0.136	S	C	.	.	H	α-helix	trans	-51.4	-36.7	-179.1	-33.3	39.6	0	0	0	115.2	A735 N757	P731-A735 PolarHBondContact O-N 3.01Å; P731-N757 WeakPolarHBondContact CB-O 3.35Å; P731-N757 HydrophobicContact CG-CB 3.92Å; P731-N757 WeakPolarHBondContact CG-OD1 3.31Å
732	I	83.1	Confident	88.8	Confident	117 Å²	117	29.7 Å²	29.7	60%	0.6	15%	0.146	S	C	*	.	H	α-helix	trans	-71.7	-41.5	178.3	-167.3	166.2	0	0	0	111.8	S730 K734 A735 E736	S730-I732 PolarHBondContact O-N 3.08Å; S730-I732 VanDerWaalsContact O-N 3.1Å; I732-K734 VanDerWaalsContact C-N 3.3Å; I732-K734 PolarHBondContact O-N 2.9Å; I732-A735 WeakPolarHBondContact O-CB 3.5Å; I732-A735 PolarHBondContact O-N 3.21Å; I732-A735 VanDerWaalsContact O-N 3.11Å; I732-E736 PolarHBondContact O-N 3.47Å
733	Q	86.8	Confident	89	Confident	17 Å²	17	33.1 Å²	33.1	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-33.1	175.8	-69.9	171.5	-60.3	0	0	112.2	G699 L702 L706 V729 S730 A735 E736 I737	G699-Q733 PolarHBondContact O-NE2 2.76Å; L702-Q733 HydrophobicContact CD2-CB 4.04Å; L706-Q733 HydrophobicContact CD1-CB 4.49Å; L706-Q733 HydrophobicContact CD1-CG 4.43Å; V729-Q733 HydrophobicContact CG1-CB 3.58Å; S730-Q733 PolarHBondContact O-N 3.32Å; S730-Q733 VanDerWaalsContact OG-CG 3.32Å; S730-Q733 WeakPolarHBondContact OG-CG 3.39Å; S730-Q733 PolarHBondContact OG-OE1 2.94Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 3.44Å; Q733-E736 PolarHBondContact O-N 3.06Å; Q733-I737 WeakPolarHBondContact O-CG1 3.29Å; Q733-I737 PolarHBondContact O-N 2.94Å
734	K	89.9	Confident	88.9	Confident	3 Å²	3	36 Å²	36	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45.7	171.3	-60.7	-164	-172.2	-163.4	0	111	D378 L637 V729 S730 I732 I737 V738 D758 M761	D378-K734 IonicContact OD1-NZ 3.88Å; D378-K734 PolarHBondContact OD1-NZ 3.41Å; L637-K734 HydrophobicContact CB-CD 4.29Å; L637-K734 HydrophobicContact CB-CG 4.24Å; L637-K734 HydrophobicContact CD1-CB 4.39Å; L637-K734 WeakPolarHBondContact O-CE 3.21Å; L637-K734 PolarHBondContact O-NZ 3.22Å; V729-K734 HydrophobicContact CB-CG 4.31Å; V729-K734 HydrophobicContact CG1-CB 4.5Å; V729-K734 HydrophobicContact CG1-CG 3.7Å; S730-K734 PolarHBondContact O-N 3.31Å; I732-K734 VanDerWaalsContact C-N 3.3Å; I732-K734 PolarHBondContact O-N 2.9Å; K734-I737 PolarHBondContact O-N 2.9Å; K734-V738 WeakPolarHBondContact O-CG2 3.36Å; K734-V738 PolarHBondContact O-N 2.9Å; K734-D758 WeakPolarHBondContact CD-OD1 3.23Å; K734-D758 IonicContact NZ-OD1 2.74Å; K734-D758 PolarHBondContact NZ-OD1 2.86Å; K734-M761 HydrophobicContact CB-CB 3.97Å; K734-M761 HydrophobicContact CB-CG 4.08Å; K734-M761 HydrophobicContact CB-SD 4.13Å; K734-M761 HydrophobicContact CD-SD 4.02Å
735	A	88.9	Confident	88.3	Confident	16 Å²	16	39 Å²	39	13%	0.132	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-41	176.7	0	0	0	0	0	112.4	P731 I732 Q733 I737 V738 D739 A760 A764	P731-A735 PolarHBondContact O-N 3.01Å; I732-A735 WeakPolarHBondContact O-CB 3.5Å; I732-A735 PolarHBondContact O-N 3.21Å; I732-A735 VanDerWaalsContact O-N 3.11Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 3.44Å; A735-I737 VanDerWaalsContact C-N 3.35Å; A735-I737 PolarHBondContact O-N 2.9Å; A735-V738 PolarHBondContact O-N 2.81Å; A735-D739 PolarHBondContact O-N 2.86Å; A735-A760 HydrophobicContact CB-CB 4.01Å; A735-A764 HydrophobicContact CB-CB 4.09Å
736	E	91.2	Very high	87.7	Confident	50 Å²	50	41 Å²	41	23%	0.234	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-37.8	176.6	-71.1	-178.8	126.5	0	0	113	L706 Y707 I732 Q733 M740	L706-E736 HydrophobicContact CD1-CB 4.11Å; L706-E736 HydrophobicContact CD2-CB 4.46Å; Y707-E736 VanDerWaalsContact OH-CD 3.3Å; Y707-E736 PolarHBondContact OH-OE1 3.29Å; Y707-E736 PolarHBondContact OH-OE2 3.13Å; I732-E736 PolarHBondContact O-N 3.47Å; Q733-E736 PolarHBondContact O-N 3.06Å; E736-M740 WeakPolarHBondContact O-CB 3.34Å; E736-M740 PolarHBondContact O-N 3.02Å
737	I	93	Very high	87.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-48.9	172.4	-68.9	168	0	0	0	110.7	F376 W635 L637 L702 C726 Q733 K734 A735 D739 M740 V741	F376-I737 HydrophobicContact CD1-CG2 4.23Å; F376-I737 HydrophobicContact CE1-CG2 3.8Å; W635-I737 HydrophobicContact CE3-CG2 3.94Å; W635-I737 HydrophobicContact CZ3-CG2 3.91Å; L637-I737 HydrophobicContact CD1-CB 4.08Å; L637-I737 HydrophobicContact CD1-CD1 4.14Å; L637-I737 HydrophobicContact CD1-CG2 3.96Å; L637-I737 HydrophobicContact CD2-CD1 3.68Å; L637-I737 HydrophobicContact CD2-CG2 4.23Å; L702-I737 HydrophobicContact CD1-CD1 3.84Å; L702-I737 HydrophobicContact CD1-CG1 4.01Å; L702-I737 HydrophobicContact CD2-CD1 3.68Å; L702-I737 HydrophobicContact CD2-CG1 4.39Å; L702-I737 HydrophobicContact CG-CD1 4.39Å; C726-I737 HydrophobicContact CB-CD1 4.2Å; Q733-I737 WeakPolarHBondContact O-CG1 3.29Å; Q733-I737 PolarHBondContact O-N 2.94Å; K734-I737 PolarHBondContact O-N 2.9Å; A735-I737 VanDerWaalsContact C-N 3.35Å; A735-I737 PolarHBondContact O-N 2.9Å; I737-D739 VanDerWaalsContact C-N 3.34Å; I737-D739 PolarHBondContact O-N 2.92Å; I737-M740 PolarHBondContact O-N 3.4Å; I737-V741 PolarHBondContact O-N 3.12Å; I737-V741 VanDerWaalsContact O-N 3.1Å
738	V	93	Very high	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-45.6	-179.5	173.5	0	0	0	0	110.9	F376 K734 A735 K742 M761 A764 A765	F376-V738 HydrophobicContact CB-CG2 4.12Å; F376-V738 HydrophobicContact CD1-CG2 4.19Å; F376-V738 HydrophobicContact CD2-CB 4.47Å; F376-V738 HydrophobicContact CD2-CG1 4.4Å; F376-V738 HydrophobicContact CD2-CG2 3.69Å; F376-V738 HydrophobicContact CE2-CB 4.49Å; F376-V738 HydrophobicContact CE2-CG1 4.38Å; F376-V738 HydrophobicContact CE2-CG2 4.14Å; F376-V738 HydrophobicContact CG-CG2 3.72Å; K734-V738 WeakPolarHBondContact O-CG2 3.36Å; K734-V738 PolarHBondContact O-N 2.9Å; A735-V738 PolarHBondContact O-N 2.81Å; V738-K742 WeakPolarHBondContact O-CB 3.22Å; V738-K742 PolarHBondContact O-N 3.44Å; V738-M761 HydrophobicContact CG2-CG 3.56Å; V738-A764 HydrophobicContact CB-CB 4.16Å; V738-A764 HydrophobicContact CG1-CB 3.95Å; V738-A765 HydrophobicContact CG1-CB 3.82Å
739	D	91.2	Very high	88	Confident	51 Å²	51	35.8 Å²	35.8	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-68.9	-36.1	178.4	-100.4	-42.4	0	0	0	112.6	A735 I737 K742 H743	A735-D739 PolarHBondContact O-N 2.86Å; I737-D739 VanDerWaalsContact C-N 3.34Å; I737-D739 PolarHBondContact O-N 2.92Å; D739-K742 PolarHBondContact O-N 3.28Å; D739-K742 WeakPolarHBondContact OD1-CD 3.17Å; D739-K742 WeakPolarHBondContact OD1-CE 3.33Å; D739-K742 IonicContact OD1-NZ 2.64Å; D739-K742 PolarHBondContact OD1-NZ 3.01Å; D739-K742 IonicContact OD2-NZ 3.19Å; D739-H743 WeakPolarHBondContact O-CB 3.42Å; D739-H743 PolarHBondContact O-N 3.47Å; D739-H743 PolarHBondContact O-ND1 3.2Å; D739-H743 IonicContact OD1-CE1 2.74Å; D739-H743 PolarHBondContact OD1-CE1 3.04Å; D739-H743 IonicContact OD1-ND1 2.74Å
740	M	91.7	Very high	88.5	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-51.3	175.1	176.3	167.2	63	0	0	112	L706 K711 F714 V715 E736 I737 H743 S744	L706-M740 HydrophobicContact CD2-CE 3.43Å; L706-M740 VanDerWaalsContact CD2-CE 3.43Å; L706-M740 HydrophobicContact CD2-SD 3.77Å; K711-M740 HydrophobicContact CG-SD 3.97Å; F714-M740 HydrophobicContact CD1-CE 3.88Å; F714-M740 HydrophobicContact CD1-SD 4.44Å; F714-M740 HydrophobicContact CE1-CE 3.7Å; V715-M740 HydrophobicContact CG2-CE 4.41Å; V715-M740 HydrophobicContact CG2-CG 3.57Å; V715-M740 HydrophobicContact CG2-SD 3.49Å; V715-M740 WeakPolarHBondContact CG2-SD 3.5Å; E736-M740 WeakPolarHBondContact O-CB 3.34Å; E736-M740 PolarHBondContact O-N 3.02Å; I737-M740 PolarHBondContact O-N 3.4Å; M740-H743 PolarHBondContact O-N 3.5Å; M740-S744 WeakPolarHBondContact O-CB 3.4Å; M740-S744 PolarHBondContact O-N 3.21Å; M740-S744 PolarHBondContact O-OG 2.89Å; M740-S744 VanDerWaalsContact O-OG 3.13Å
741	V	91.9	Very high	89.2	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-38	179.4	175.8	0	0	0	0	111.9	Y374 F376 W635 I737 S744 I745 T749	Y374-V741 HydrophobicContact CD1-CG1 4.05Å; Y374-V741 HydrophobicContact CD2-CG1 4.33Å; Y374-V741 HydrophobicContact CE1-CG1 4.38Å; Y374-V741 HydrophobicContact CG-CG1 4.03Å; F376-V741 HydrophobicContact CE1-CG2 4.26Å; F376-V741 HydrophobicContact CZ-CB 3.81Å; F376-V741 HydrophobicContact CZ-CG1 3.94Å; F376-V741 HydrophobicContact CZ-CG2 3.91Å; W635-V741 HydrophobicContact CE3-CG2 4.41Å; W635-V741 HydrophobicContact CH2-CG2 3.56Å; W635-V741 HydrophobicContact CZ2-CG2 4.41Å; W635-V741 HydrophobicContact CZ3-CG2 3.58Å; I737-V741 PolarHBondContact O-N 3.12Å; I737-V741 VanDerWaalsContact O-N 3.1Å; V741-S744 PolarHBondContact O-OG 2.84Å; V741-I745 HydrophobicContact CG1-CD1 3.72Å; V741-I745 HydrophobicContact CG1-CG1 4.39Å; V741-I745 WeakPolarHBondContact O-CG1 3.02Å; V741-I745 PolarHBondContact O-N 3.39Å; V741-T749 HydrophobicContact CG1-CG2 4.32Å
742	K	90.9	Very high	89.9	Confident	48 Å²	48	31.3 Å²	31.3	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-41.9	175.7	157.5	171.4	161.5	-148.7	0	112.5	V738 D739 G746 T749 A764	V738-K742 WeakPolarHBondContact O-CB 3.22Å; V738-K742 PolarHBondContact O-N 3.44Å; D739-K742 PolarHBondContact O-N 3.28Å; D739-K742 WeakPolarHBondContact OD1-CD 3.17Å; D739-K742 WeakPolarHBondContact OD1-CE 3.33Å; D739-K742 IonicContact OD1-NZ 2.64Å; D739-K742 PolarHBondContact OD1-NZ 3.01Å; D739-K742 IonicContact OD2-NZ 3.19Å; K742-G746 PolarHBondContact O-N 3.33Å; K742-T749 HydrophobicContact CB-CG2 4.15Å; K742-A764 PolarHBondContact NZ-O 3.16Å
743	H	88.3	Confident	90.2	Very high	144 Å²	144	25.7 Å²	25.7	67%	0.667	15%	0.146	S	C	*	.	H	α-helix	trans	-83	-32.6	180	-69.3	96.2	0	0	0	113.7	D739 M740	D739-H743 WeakPolarHBondContact O-CB 3.42Å; D739-H743 PolarHBondContact O-N 3.47Å; D739-H743 PolarHBondContact O-ND1 3.2Å; D739-H743 IonicContact OD1-CE1 2.74Å; D739-H743 PolarHBondContact OD1-CE1 3.04Å; D739-H743 IonicContact OD1-ND1 2.74Å; M740-H743 PolarHBondContact O-N 3.5Å
744	S	85.1	Confident	90.1	Very high	62 Å²	62	25.5 Å²	25.5	43%	0.434	15%	0.145	S	C	.	.	H	α-helix	trans	-73.6	-40.6	-179.1	62.1	0	0	0	0	113.6	M740 V741	M740-S744 WeakPolarHBondContact O-CB 3.4Å; M740-S744 PolarHBondContact O-N 3.21Å; M740-S744 PolarHBondContact O-OG 2.89Å; M740-S744 VanDerWaalsContact O-OG 3.13Å; V741-S744 PolarHBondContact O-OG 2.84Å
745	I	82.3	Confident	89.3	Confident	62 Å²	62	25.5 Å²	25.5	32%	0.318	15%	0.146	S	C	.	.	H	α-helix	trans	-95.5	-32.6	-174.1	-45	179	0	0	0	112.9	Y374 L719 V741 A747	Y374-I745 HydrophobicContact CD2-CD1 4.03Å; Y374-I745 HydrophobicContact CE1-CD1 4.2Å; Y374-I745 HydrophobicContact CE2-CD1 3.27Å; Y374-I745 WeakPolarHBondContact OH-CD1 3.38Å; L719-I745 HydrophobicContact CD1-CD1 3.76Å; L719-I745 HydrophobicContact CD1-CG1 3.65Å; L719-I745 HydrophobicContact CD2-CD1 3.64Å; L719-I745 HydrophobicContact CD2-CG1 4.34Å; L719-I745 HydrophobicContact CG-CD1 4.35Å; V741-I745 HydrophobicContact CG1-CD1 3.72Å; V741-I745 HydrophobicContact CG1-CG1 4.39Å; V741-I745 WeakPolarHBondContact O-CG1 3.02Å; V741-I745 PolarHBondContact O-N 3.39Å; I745-A747 HydrophobicContact CB-CB 4.06Å; I745-A747 HydrophobicContact CG2-CB 3.67Å; I745-A747 PolarHBondContact O-N 3.1Å
746	G	80.9	Confident	88.4	Confident	41 Å²	41	25.5 Å²	25.5	42%	0.423	15%	0.146	S	C	.	.			trans	61.5	35.4	-165.6	0	0	0	0	0	112.7	K742 K906	K742-G746 PolarHBondContact O-N 3.33Å; G746-K906 PolarHBondContact O-NZ 3.49Å
747	A	86.1	Confident	87.7	Confident	15 Å²	15	24.9 Å²	24.9	12%	0.124	15%	0.145	C	C	.	.			trans	-102.8	156.9	171	0	0	0	0	0	110.6	K373 Y374 I745 H766	K373-A747 HydrophobicContact CB-CB 4.5Å; Y374-A747 HydrophobicContact CD2-CB 4.36Å; I745-A747 HydrophobicContact CB-CB 4.06Å; I745-A747 HydrophobicContact CG2-CB 3.67Å; I745-A747 PolarHBondContact O-N 3.1Å; A747-H766 PolarHBondContact O-CE1 3.18Å
748	I	92.7	Very high	87.2	Confident	12 Å²	12	25 Å²	25	6%	0.062	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.4	179.8	-53.6	-48.4	0	0	0	109.5	N258 E368 Q371 V372 K373 Y374 H766	N258-I748 HydrophobicContact CB-CD1 3.99Å; E368-I748 HydrophobicContact CB-CG2 4.31Å; E368-I748 WeakPolarHBondContact OE2-CD1 3.4Å; Q371-I748 HydrophobicContact CB-CB 4.19Å; Q371-I748 HydrophobicContact CB-CG1 3.7Å; V372-I748 HydrophobicContact CG2-CG2 4.36Å; K373-I748 PolarHBondContact N-O 3.34Å; Y374-I748 PolarHBondContact N-O 3.02Å; I748-H766 HydrophobicContact CG2-CB 3.86Å
749	T	94.9	Very high	86.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.5	-175	53.2	0	0	0	0	110.3	F376 V741 K742 H766 V767	F376-T749 HydrophobicContact CE2-CG2 3.88Å; V741-T749 HydrophobicContact CG1-CG2 4.32Å; K742-T749 HydrophobicContact CB-CG2 4.15Å; T749-H766 PolarHBondContact N-ND1 2.84Å; T749-H766 WeakPolarHBondContact O-CB 3.48Å; T749-H766 PolarHBondContact O-N 2.92Å; T749-H766 PolarHBondContact OG1-N 3.49Å; T749-H766 PolarHBondContact OG1-ND1 2.93Å; T749-V767 PolarHBondContact O-N 3.44Å; T749-V767 VanDerWaalsContact O-N 3.09Å
750	L	96.4	Very high	86.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.9	175.1	-177.9	155.3	0	0	0	109	L369 V372 Y374 I375 F376 I752 V767 I769 L793 L797	L369-L750 HydrophobicContact CD2-CD1 4.3Å; V372-L750 HydrophobicContact CG1-CB 3.62Å; V372-L750 HydrophobicContact CG1-CD1 4.35Å; V372-L750 HydrophobicContact CG2-CB 4.13Å; V372-L750 HydrophobicContact CG2-CD1 3.99Å; Y374-L750 PolarHBondContact O-N 3.35Å; I375-L750 CarbonylContact C-O 3.56Å; I375-L750 WeakPolarHBondContact CA-O 3.41Å; I375-L750 HydrophobicContact CG1-CB 4.24Å; I375-L750 HydrophobicContact CG1-CD2 4.16Å; I375-L750 HydrophobicContact CG2-CD2 4.05Å; F376-L750 WeakPolarHBondContact CD2-O 3.18Å; F376-L750 PolarHBondContact N-O 3.41Å; L750-I752 HydrophobicContact CD2-CB 4.25Å; L750-V767 CarbonylContact C-O 3.55Å; L750-V767 VanDerWaalsContact CA-O 3.26Å; L750-V767 WeakPolarHBondContact CA-O 3.37Å; L750-V767 HydrophobicContact CD1-CG1 4.39Å; L750-V767 HydrophobicContact CG-CB 4.39Å; L750-I769 HydrophobicContact CD1-CD1 3.74Å; L750-I769 HydrophobicContact CD1-CG1 4.36Å; L750-I769 HydrophobicContact CD2-CD1 4.14Å; L750-I769 HydrophobicContact CD2-CG1 4.35Å; L750-I769 HydrophobicContact CG-CD1 4.2Å; L750-I769 HydrophobicContact CG-CG1 4.35Å; L750-L793 HydrophobicContact CD1-CD1 4.25Å; L750-L793 HydrophobicContact CD2-CD1 4.45Å; L750-L797 HydrophobicContact CD1-CD2 3.87Å
751	A	95.8	Very high	86.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.8	170.6	0	0	0	0	0	110.2	F376 M761 I762 A765 V767 G768 I769	F376-A751 HydrophobicContact CB-CB 4.44Å; F376-A751 CarbonylContact O-C 3.52Å; F376-A751 VanDerWaalsContact O-CA 3.3Å; F376-A751 WeakPolarHBondContact O-CA 3.28Å; A751-M761 HydrophobicContact CB-CE 4.25Å; A751-M761 HydrophobicContact CB-CG 3.82Å; A751-M761 WeakPolarHBondContact CB-O 3.11Å; A751-M761 HydrophobicContact CB-SD 4.49Å; A751-I762 HydrophobicContact CB-CG1 4.37Å; A751-A765 HydrophobicContact CB-CB 3.53Å; A751-V767 PolarHBondContact N-O 2.99Å; A751-G768 CarbonylContact O-C 3.56Å; A751-I769 PolarHBondContact O-N 3.4Å
752	I	94.9	Very high	86	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.8	178.3	-169.8	166	0	0	0	111.2	I375 F376 T377 D378 T382 L750 M761 I769 I771 I787 F790 L793	I375-I752 HydrophobicContact CG2-CG2 4.27Å; F376-I752 PolarHBondContact O-N 2.7Å; T377-I752 WeakPolarHBondContact CA-O 3.29Å; D378-I752 PolarHBondContact N-O 3.39Å; D378-I752 VanDerWaalsContact N-O 3.16Å; T382-I752 HydrophobicContact CG2-CG1 4.21Å; T382-I752 HydrophobicContact CG2-CG2 4.34Å; L750-I752 HydrophobicContact CD2-CB 4.25Å; I752-M761 VanDerWaalsContact O-CE 3.31Å; I752-M761 WeakPolarHBondContact O-CE 3.26Å; I752-I769 WeakPolarHBondContact CA-O 3.24Å; I752-I769 HydrophobicContact CB-CB 4.16Å; I752-I769 HydrophobicContact CD1-CB 4.13Å; I752-I769 HydrophobicContact CD1-CG2 3.7Å; I752-I769 HydrophobicContact CG1-CB 3.94Å; I752-I769 HydrophobicContact CG1-CG2 3.86Å; I752-I771 HydrophobicContact CD1-CD1 3.85Å; I752-I771 HydrophobicContact CG1-CD1 4.12Å; I752-I771 HydrophobicContact CG1-CG1 4.25Å; I752-I787 HydrophobicContact CD1-CD1 4.17Å; I752-F790 HydrophobicContact CD1-CD2 4.05Å; I752-F790 HydrophobicContact CD1-CE2 4.38Å; I752-F790 HydrophobicContact CG2-CE2 4.04Å; I752-L793 HydrophobicContact CD1-CD2 4.12Å
753	G	89.5	Confident	85.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	174.6	-178.2	0	0	0	0	0	111.6	T382 D758 I769 G770 I771 A779	T382-G753 VanDerWaalsContact OG1-CA 3.32Å; T382-G753 WeakPolarHBondContact OG1-CA 3.39Å; G753-D758 WeakPolarHBondContact CA-OD2 3.46Å; G753-I769 PolarHBondContact N-O 3.38Å; G753-G770 CarbonylContact O-C 3.54Å; G753-G770 VanDerWaalsContact O-CA 3.3Å; G753-G770 WeakPolarHBondContact O-CA 3.43Å; G753-I771 PolarHBondContact O-N 3.11Å; G753-A779 WeakPolarHBondContact O-CB 3.47Å
754	D	84.5	Confident	85.8	Confident	12 Å²	12	17.2 Å²	17.2	6%	0.064	12%	0.117	C	C	.	.	S	Bend	trans	-122.3	-44.2	-174.4	67.7	-49.1	0	0	0	112.6	G381 T382 I771 A779	G381-D754 WeakPolarHBondContact CA-OD2 3.32Å; T382-D754 PolarHBondContact OG1-N 3.47Å; T382-D754 PolarHBondContact OG1-OD1 2.78Å; D754-I771 HydrophobicContact CB-CB 3.87Å; D754-I771 HydrophobicContact CB-CG2 4.36Å; D754-A779 WeakPolarHBondContact O-CB 3.5Å
755	G	72.8	Confident	86.2	Confident	4 Å²	4	14.4 Å²	14.4	4%	0.041	10%	0.098	C	C	.	.	S	Bend	trans	-84.3	170.9	-174.1	0	0	0	0	0	115.1	N757 D758	G755-N757 PolarHBondContact O-N 2.96Å; G755-D758 PolarHBondContact O-N 3.41Å; G755-D758 VanDerWaalsContact O-N 3.16Å
756	A	70.4	Confident	86.7	Confident	15 Å²	15	12.8 Å²	12.8	12%	0.124	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.4	-31	176.5	0	0	0	0	0	113.2	S155 D758 V759	S155-A756 VanDerWaalsContact O-CB 3.3Å; S155-A756 WeakPolarHBondContact O-CB 3.44Å; S155-A756 PolarHBondContact O-N 3.44Å; A756-D758 PolarHBondContact O-N 3.34Å; A756-V759 WeakPolarHBondContact O-CB 3.4Å; A756-V759 WeakPolarHBondContact O-CG2 3.49Å; A756-V759 PolarHBondContact O-N 3.03Å; A756-V759 VanDerWaalsContact O-N 3.16Å
757	N	75.9	Confident	87.4	Confident	38 Å²	38	10.9 Å²	10.9	20%	0.203	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-55.1	-33.8	176.1	-77.7	-21.2	0	0	0	114	D158 P731 G755	D158-N757 VanDerWaalsContact C-OD1 3.23Å; D158-N757 PolarHBondContact O-ND2 3.31Å; D158-N757 PolarHBondContact O-OD1 2.88Å; P731-N757 WeakPolarHBondContact CB-O 3.35Å; P731-N757 HydrophobicContact CG-CB 3.92Å; P731-N757 WeakPolarHBondContact CG-OD1 3.31Å; G755-N757 PolarHBondContact O-N 2.96Å
758	D	82.3	Confident	87.7	Confident	2 Å²	2	10.1 Å²	10.1	1%	0.011	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-86.9	-9.7	-175.5	-64.9	-45.4	0	0	0	113.1	D378 K734 G753 G755 A756 A760 M761 I762	D378-D758 WeakPolarHBondContact CB-OD2 3.17Å; K734-D758 WeakPolarHBondContact CD-OD1 3.23Å; K734-D758 IonicContact NZ-OD1 2.74Å; K734-D758 PolarHBondContact NZ-OD1 2.86Å; G753-D758 WeakPolarHBondContact CA-OD2 3.46Å; G755-D758 PolarHBondContact O-N 3.41Å; G755-D758 VanDerWaalsContact O-N 3.16Å; A756-D758 PolarHBondContact O-N 3.34Å; D758-A760 PolarHBondContact O-N 2.98Å; D758-M761 HydrophobicContact CB-CE 3.99Å; D758-M761 WeakPolarHBondContact O-CB 3.28Å; D758-M761 PolarHBondContact O-N 3.3Å; D758-M761 WeakPolarHBondContact OD1-CE 3.41Å; D758-I762 HydrophobicContact CB-CD1 3.85Å; D758-I762 HydrophobicContact CB-CG1 4.33Å; D758-I762 VanDerWaalsContact O-CB 3.23Å; D758-I762 WeakPolarHBondContact O-CB 3.27Å; D758-I762 WeakPolarHBondContact O-CG1 3.29Å; D758-I762 PolarHBondContact O-N 2.94Å
759	V	79.8	Confident	87.8	Confident	27 Å²	27	9.6 Å²	9.6	16%	0.164	6%	0.06	C	C	.	.	H	α-helix	trans	-55.3	-39.5	178.8	173.7	0	0	0	0	111.4	A756 Q763 A782	A756-V759 WeakPolarHBondContact O-CB 3.4Å; A756-V759 WeakPolarHBondContact O-CG2 3.49Å; A756-V759 PolarHBondContact O-N 3.03Å; A756-V759 VanDerWaalsContact O-N 3.16Å; V759-Q763 HydrophobicContact CG1-CG 4.39Å; V759-Q763 VanDerWaalsContact O-CB 3.28Å; V759-Q763 WeakPolarHBondContact O-CB 3.33Å; V759-Q763 WeakPolarHBondContact O-CG 3.35Å; V759-Q763 PolarHBondContact O-N 2.9Å; V759-A782 HydrophobicContact CB-CB 4.45Å; V759-A782 HydrophobicContact CG1-CB 3.71Å; V759-A782 HydrophobicContact CG2-CB 4.08Å
760	A	83.3	Confident	87.5	Confident	34 Å²	34	9.6 Å²	9.6	28%	0.281	6%	0.06	S	C	.	.	H	α-helix	trans	-66.1	-44.6	175.9	0	0	0	0	0	112.4	A735 D758 Q763 A764	A735-A760 HydrophobicContact CB-CB 4.01Å; D758-A760 PolarHBondContact O-N 2.98Å; A760-Q763 PolarHBondContact O-N 3.33Å; A760-A764 WeakPolarHBondContact O-CB 3.42Å; A760-A764 PolarHBondContact O-N 3.33Å
761	M	90.2	Very high	87.2	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.6	-46.1	177.1	-169	-176.9	59.9	0	0	111.7	F376 L637 K734 V738 A751 I752 D758 A764 A765	F376-M761 HydrophobicContact CB-SD 4.03Å; L637-M761 HydrophobicContact CB-SD 4.18Å; L637-M761 HydrophobicContact CD1-SD 3.87Å; L637-M761 HydrophobicContact CG-SD 4.44Å; K734-M761 HydrophobicContact CB-CB 3.97Å; K734-M761 HydrophobicContact CB-CG 4.08Å; K734-M761 HydrophobicContact CB-SD 4.13Å; K734-M761 HydrophobicContact CD-SD 4.02Å; V738-M761 HydrophobicContact CG2-CG 3.56Å; A751-M761 HydrophobicContact CB-CE 4.25Å; A751-M761 HydrophobicContact CB-CG 3.82Å; A751-M761 WeakPolarHBondContact CB-O 3.11Å; A751-M761 HydrophobicContact CB-SD 4.49Å; I752-M761 VanDerWaalsContact O-CE 3.31Å; I752-M761 WeakPolarHBondContact O-CE 3.26Å; D758-M761 HydrophobicContact CB-CE 3.99Å; D758-M761 WeakPolarHBondContact O-CB 3.28Å; D758-M761 PolarHBondContact O-N 3.3Å; D758-M761 WeakPolarHBondContact OD1-CE 3.41Å; M761-A764 PolarHBondContact O-N 3.42Å; M761-A765 PolarHBondContact O-N 3.29Å; M761-A765 VanDerWaalsContact O-N 3.12Å
762	I	89.1	Confident	86.4	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.9	-39.2	177.8	-72.6	170.2	0	0	0	111.4	K255 A751 D758 G768 I769 A779	K255-I762 PolarHBondContact NZ-O 3.18Å; A751-I762 HydrophobicContact CB-CG1 4.37Å; D758-I762 HydrophobicContact CB-CD1 3.85Å; D758-I762 HydrophobicContact CB-CG1 4.33Å; D758-I762 VanDerWaalsContact O-CB 3.23Å; D758-I762 WeakPolarHBondContact O-CB 3.27Å; D758-I762 WeakPolarHBondContact O-CG1 3.29Å; D758-I762 PolarHBondContact O-N 2.94Å; I762-G768 WeakPolarHBondContact O-CA 3.24Å; I762-I769 WeakPolarHBondContact CD1-O 3.46Å; I762-A779 HydrophobicContact CD1-CB 3.65Å
763	Q	86.8	Confident	85	Confident	26 Å²	26	11.9 Å²	11.9	12%	0.121	8%	0.081	C	C	.	.	H	α-helix	trans	-74.5	-34.2	176.1	-73.9	-177.1	0.6	0	0	112.7	P253 K255 V759 A760	P253-Q763 HydrophobicContact CG-CB 4.09Å; P253-Q763 WeakPolarHBondContact CG-O 3.49Å; K255-Q763 WeakPolarHBondContact CE-O 3.42Å; V759-Q763 HydrophobicContact CG1-CG 4.39Å; V759-Q763 VanDerWaalsContact O-CB 3.28Å; V759-Q763 WeakPolarHBondContact O-CB 3.33Å; V759-Q763 WeakPolarHBondContact O-CG 3.35Å; V759-Q763 PolarHBondContact O-N 2.9Å; A760-Q763 PolarHBondContact O-N 3.33Å
764	A	88.8	Confident	83.5	Confident	11 Å²	11	19.4 Å²	19.4	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-69	-36.5	177.1	0	0	0	0	0	113.2	A735 V738 K742 A760 M761	A735-A764 HydrophobicContact CB-CB 4.09Å; V738-A764 HydrophobicContact CB-CB 4.16Å; V738-A764 HydrophobicContact CG1-CB 3.95Å; K742-A764 PolarHBondContact NZ-O 3.16Å; A760-A764 WeakPolarHBondContact O-CB 3.42Å; A760-A764 PolarHBondContact O-N 3.33Å; M761-A764 PolarHBondContact O-N 3.42Å
765	A	93.1	Very high	82.1	Confident	3 Å²	3	21.3 Å²	21.3	3%	0.025	13%	0.129	C	C	.	.	S	Bend	trans	-65.4	154.4	-178.6	0	0	0	0	0	113.7	K255 V738 A751 M761 V767	K255-A765 VanDerWaalsContact CE-O 3.27Å; K255-A765 WeakPolarHBondContact CE-O 3.5Å; K255-A765 PolarHBondContact NZ-O 3.47Å; V738-A765 HydrophobicContact CG1-CB 3.82Å; A751-A765 HydrophobicContact CB-CB 3.53Å; M761-A765 PolarHBondContact O-N 3.29Å; M761-A765 VanDerWaalsContact O-N 3.12Å; A765-V767 VanDerWaalsContact CB-O 3.29Å; A765-V767 WeakPolarHBondContact CB-O 3.43Å; A765-V767 PolarHBondContact O-N 2.89Å
766	H	93.6	Very high	81.3	Confident	29 Å²	29	21.8 Å²	21.8	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	-61.8	-34.8	172.8	-68.7	95.6	0	0	0	111.9	A747 I748 T749	A747-H766 PolarHBondContact O-CE1 3.18Å; I748-H766 HydrophobicContact CG2-CB 3.86Å; T749-H766 PolarHBondContact N-ND1 2.84Å; T749-H766 WeakPolarHBondContact O-CB 3.48Å; T749-H766 PolarHBondContact O-N 2.92Å; T749-H766 PolarHBondContact OG1-N 3.49Å; T749-H766 PolarHBondContact OG1-ND1 2.93Å
767	V	94.1	Very high	81.1	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.4	170	-177.8	0	0	0	0	108.9	E368 L369 T749 L750 A751 A765 I769 Y785	E368-V767 HydrophobicContact CB-CG2 3.67Å; L369-V767 HydrophobicContact CD2-CG1 3.88Å; T749-V767 PolarHBondContact O-N 3.44Å; T749-V767 VanDerWaalsContact O-N 3.09Å; L750-V767 CarbonylContact C-O 3.55Å; L750-V767 VanDerWaalsContact CA-O 3.26Å; L750-V767 WeakPolarHBondContact CA-O 3.37Å; L750-V767 HydrophobicContact CD1-CG1 4.39Å; L750-V767 HydrophobicContact CG-CB 4.39Å; A751-V767 PolarHBondContact N-O 2.99Å; A765-V767 VanDerWaalsContact CB-O 3.29Å; A765-V767 WeakPolarHBondContact CB-O 3.43Å; A765-V767 PolarHBondContact O-N 2.89Å; V767-I769 HydrophobicContact CG1-CG1 4.34Å; V767-Y785 HydrophobicContact CG1-CD2 3.76Å; V767-Y785 HydrophobicContact CG1-CE2 3.83Å
768	G	92.8	Very high	80.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	174.5	0	0	0	0	0	111.3	A751 I762 D784 Y785	A751-G768 CarbonylContact O-C 3.56Å; I762-G768 WeakPolarHBondContact O-CA 3.24Å; G768-D784 PolarHBondContact N-OD2 2.9Å; G768-D784 WeakPolarHBondContact O-CB 3.4Å; G768-D784 PolarHBondContact O-N 2.96Å; G768-Y785 PolarHBondContact O-N 3.48Å
769	I	94.1	Very high	80	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	177.7	-58.3	-169.6	0	0	0	110.1	L750 A751 I752 G753 I762 V767 Y785 I787 L793 L796	L750-I769 HydrophobicContact CD1-CD1 3.74Å; L750-I769 HydrophobicContact CD1-CG1 4.36Å; L750-I769 HydrophobicContact CD2-CD1 4.14Å; L750-I769 HydrophobicContact CD2-CG1 4.35Å; L750-I769 HydrophobicContact CG-CD1 4.2Å; L750-I769 HydrophobicContact CG-CG1 4.35Å; A751-I769 PolarHBondContact O-N 3.4Å; I752-I769 WeakPolarHBondContact CA-O 3.24Å; I752-I769 HydrophobicContact CB-CB 4.16Å; I752-I769 HydrophobicContact CD1-CB 4.13Å; I752-I769 HydrophobicContact CD1-CG2 3.7Å; I752-I769 HydrophobicContact CG1-CB 3.94Å; I752-I769 HydrophobicContact CG1-CG2 3.86Å; G753-I769 PolarHBondContact N-O 3.38Å; I762-I769 WeakPolarHBondContact CD1-O 3.46Å; V767-I769 HydrophobicContact CG1-CG1 4.34Å; I769-Y785 CarbonylContact C-O 3.57Å; I769-Y785 WeakPolarHBondContact CA-O 3.35Å; I769-I787 HydrophobicContact CG2-CD1 4.01Å; I769-I787 HydrophobicContact CG2-CG1 3.94Å; I769-L793 HydrophobicContact CD1-CD1 3.6Å; I769-L796 HydrophobicContact CD1-CD2 3.69Å
770	G	89.5	Confident	79.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.1	178	0	0	0	0	0	111.2	G753 S772 S783 Y785 S786 I787	G753-G770 CarbonylContact O-C 3.54Å; G753-G770 VanDerWaalsContact O-CA 3.3Å; G753-G770 WeakPolarHBondContact O-CA 3.43Å; G770-S772 PolarHBondContact O-N 2.94Å; G770-S783 PolarHBondContact N-OG 2.9Å; G770-Y785 PolarHBondContact N-O 3.48Å; G770-S786 WeakPolarHBondContact O-CA 3.47Å; G770-S786 VanDerWaalsContact O-CB 3.31Å; G770-S786 WeakPolarHBondContact O-CB 3.44Å; G770-S786 PolarHBondContact O-OG 3.13Å; G770-I787 PolarHBondContact O-N 3.45Å
771	I	89.4	Confident	79.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.2	171.5	-60.6	-61.3	0	0	0	108.8	T382 I752 G753 D754 G773 I787	T382-I771 HydrophobicContact CG2-CG1 4.08Å; I752-I771 HydrophobicContact CD1-CD1 3.85Å; I752-I771 HydrophobicContact CG1-CD1 4.12Å; I752-I771 HydrophobicContact CG1-CG1 4.25Å; G753-I771 PolarHBondContact O-N 3.11Å; D754-I771 HydrophobicContact CB-CB 3.87Å; D754-I771 HydrophobicContact CB-CG2 4.36Å; I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 2.85Å; I771-I787 CarbonylContact C-O 3.57Å; I771-I787 VanDerWaalsContact CA-O 3.28Å; I771-I787 WeakPolarHBondContact CA-O 3.32Å; I771-I787 HydrophobicContact CD1-CD1 4.35Å; I771-I787 HydrophobicContact CD1-CG1 3.92Å
772	S	79	Confident	78.4	Confident	18 Å²	18	28.1 Å²	28.1	13%	0.126	17%	0.166	C	C	.	.			trans	-85.6	74.3	170.3	-79.5	0	0	0	0	109.6	G770 S786 I787	G770-S772 PolarHBondContact O-N 2.94Å; S772-S786 PolarHBondContact OG-OG 3.1Å; S772-I787 PolarHBondContact N-O 3.24Å
773	G	65.5	Low	78.2	Confident	31 Å²	31	28.3 Å²	28.3	32%	0.32	17%	0.168	S	C	.	.			trans	-84.4	-174.5	175.7	0	0	0	0	0	113.5	I771	I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 2.85Å
774	L	59.2	Low	78.3	Confident	158 Å²	158	27.5 Å²	27.5	83%	0.827	16%	0.164	S	C	*	.	S	Bend	trans	-78.4	-21.8	172.4	-65.1	171.6	0	0	0	112.6	T354 G776	T354-L774 HydrophobicContact CG2-CD2 4.31Å; L774-G776 VanDerWaalsContact C-N 3.31Å; L774-G776 PolarHBondContact O-N 3.27Å
775	E	53.5	Low	78.5	Confident	51 Å²	51	27.1 Å²	27.1	24%	0.238	16%	0.16	C	C	.	.	S	Bend	trans	-94.8	30.5	-163.8	-62.5	168.8	122.4	0	0	112.9	S155 T161 N386	S155-E775 WeakPolarHBondContact CB-O 3.38Å; S155-E775 PolarHBondContact OG-O 3.31Å; T161-E775 HydrophobicContact CG2-CB 3.99Å; T161-E775 HydrophobicContact CG2-CG 4.19Å; T161-E775 WeakPolarHBondContact CG2-OE1 3.46Å; N386-E775 VanDerWaalsContact ND2-CD 3.29Å; N386-E775 PolarHBondContact ND2-OE1 3.25Å; N386-E775 VanDerWaalsContact ND2-OE1 3.1Å; N386-E775 PolarHBondContact ND2-OE2 3.26Å
776	G	56.9	Low	78.4	Confident	15 Å²	15	27 Å²	27	16%	0.155	16%	0.159	C	C	.	.			trans	118.3	155.6	178.3	0	0	0	0	0	113.7	L774	L774-G776 VanDerWaalsContact C-N 3.31Å; L774-G776 PolarHBondContact O-N 3.27Å
777	L	66.4	Low	78.4	Confident	99 Å²	99	25.7 Å²	25.7	52%	0.518	15%	0.154	S	C	.	.	S	Bend	trans	-111.9	13.7	-175.2	-68.7	174.9	0	0	0	113.1	A780 C781	L777-A780 HydrophobicContact CD2-CB 4.4Å; L777-A780 CarbonylContact O-C 3.57Å; L777-C781 VanDerWaalsContact O-CB 3.26Å; L777-C781 WeakPolarHBondContact O-CB 3.39Å; L777-C781 PolarHBondContact O-N 3.04Å; L777-C781 PolarHBondContact O-SG 2.94Å
778	Q	66.3	Low	78.2	Confident	52 Å²	52	26.1 Å²	26.1	24%	0.243	16%	0.157	C	C	.	.	H	α-helix	trans	-76.1	-47.7	-169.8	-72.4	-163.6	6.6	0	0	114.3	N156 A780 C781 A782	N156-Q778 VanDerWaalsContact O-CD 3.25Å; N156-Q778 PolarHBondContact O-NE2 2.82Å; N156-Q778 PolarHBondContact O-OE1 3.21Å; Q778-A780 VanDerWaalsContact C-N 3.3Å; Q778-A780 PolarHBondContact O-N 3.26Å; Q778-C781 PolarHBondContact O-N 3.23Å; Q778-C781 VanDerWaalsContact O-N 3.12Å; Q778-A782 WeakPolarHBondContact O-CB 3.33Å; Q778-A782 PolarHBondContact O-N 3.01Å
779	A	69.5	Low	78.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.8	-47.3	170.5	0	0	0	0	0	110	G753 D754 I762 C781 A782 S783	G753-A779 WeakPolarHBondContact O-CB 3.47Å; D754-A779 WeakPolarHBondContact O-CB 3.5Å; I762-A779 HydrophobicContact CD1-CB 3.65Å; A779-C781 PolarHBondContact O-N 3.17Å; A779-C781 VanDerWaalsContact O-N 3.14Å; A779-A782 PolarHBondContact O-N 2.98Å; A779-A782 VanDerWaalsContact O-N 3.15Å; A779-S783 WeakPolarHBondContact O-CB 3.45Å; A779-S783 PolarHBondContact O-N 3.26Å; A779-S783 PolarHBondContact O-OG 3.3Å; A779-S783 VanDerWaalsContact O-OG 3.1Å
780	A	73.8	Confident	78.2	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-54.4	-30.8	175.1	0	0	0	0	0	113.9	R361 L777 Q778 S783 S786	R361-A780 PolarHBondContact NE-O 3.39Å; R361-A780 PolarHBondContact NH2-O 3.5Å; L777-A780 HydrophobicContact CD2-CB 4.4Å; L777-A780 CarbonylContact O-C 3.57Å; Q778-A780 VanDerWaalsContact C-N 3.3Å; Q778-A780 PolarHBondContact O-N 3.26Å; A780-S783 PolarHBondContact O-OG 3.49Å; A780-S786 WeakPolarHBondContact CB-OG 3.37Å
781	C	70.8	Confident	78.4	Confident	72 Å²	72	31.2 Å²	31.2	49%	0.486	18%	0.176	S	C	.	.	H	α-helix	trans	-88.1	-30.9	177	-71.6	0	0	0	0	114.6	L777 Q778 A779	L777-C781 VanDerWaalsContact O-CB 3.26Å; L777-C781 WeakPolarHBondContact O-CB 3.39Å; L777-C781 PolarHBondContact O-N 3.04Å; L777-C781 PolarHBondContact O-SG 2.94Å; Q778-C781 PolarHBondContact O-N 3.23Å; Q778-C781 VanDerWaalsContact O-N 3.12Å; A779-C781 PolarHBondContact O-N 3.17Å; A779-C781 VanDerWaalsContact O-N 3.14Å
782	A	73.4	Confident	78.7	Confident	25 Å²	25	31.8 Å²	31.8	21%	0.207	18%	0.179	C	C	.	.	H	α-helix	trans	-89.3	-12.4	179.2	0	0	0	0	0	114.1	V759 Q778 A779	V759-A782 HydrophobicContact CB-CB 4.45Å; V759-A782 HydrophobicContact CG1-CB 3.71Å; V759-A782 HydrophobicContact CG2-CB 4.08Å; Q778-A782 WeakPolarHBondContact O-CB 3.33Å; Q778-A782 PolarHBondContact O-N 3.01Å; A779-A782 PolarHBondContact O-N 2.98Å; A779-A782 VanDerWaalsContact O-N 3.15Å
783	S	85.8	Confident	79.4	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.028	17%	0.173	C	C	.	.	S	Bend	trans	-76.5	158.5	178.6	62.4	0	0	0	0	114.5	R361 G770 A779 A780 Y785	R361-S783 WeakPolarHBondContact CD-O 3.41Å; G770-S783 PolarHBondContact N-OG 2.9Å; A779-S783 WeakPolarHBondContact O-CB 3.45Å; A779-S783 PolarHBondContact O-N 3.26Å; A779-S783 PolarHBondContact O-OG 3.3Å; A779-S783 VanDerWaalsContact O-OG 3.1Å; A780-S783 PolarHBondContact O-OG 3.49Å; S783-Y785 WeakPolarHBondContact CB-O 3.36Å; S783-Y785 PolarHBondContact OG-O 3Å; S783-Y785 VanDerWaalsContact OG-O 3.08Å
784	D	88.9	Confident	80.8	Confident	9 Å²	9	30.2 Å²	30.2	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	-75.4	-33.4	172.1	-60.8	-63.8	0	0	0	112.3	K255 R361 T362 L365 G768	K255-D784 WeakPolarHBondContact CD-OD2 3.33Å; K255-D784 WeakPolarHBondContact CE-OD2 3.47Å; K255-D784 IonicContact NZ-OD2 2.9Å; K255-D784 PolarHBondContact NZ-OD2 2.93Å; R361-D784 WeakPolarHBondContact CA-O 3.26Å; R361-D784 PolarHBondContact N-O 3.09Å; T362-D784 WeakPolarHBondContact CB-OD1 3.29Å; T362-D784 PolarHBondContact N-O 3.06Å; T362-D784 PolarHBondContact OG1-OD1 3.07Å; L365-D784 HydrophobicContact CD1-CB 3.94Å; L365-D784 WeakPolarHBondContact CD1-OD1 3.4Å; G768-D784 PolarHBondContact N-OD2 2.9Å; G768-D784 WeakPolarHBondContact O-CB 3.4Å; G768-D784 PolarHBondContact O-N 2.96Å
785	Y	92.4	Very high	82.5	Confident	3 Å²	3	24.3 Å²	24.3	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.9	174.4	-57	-91.3	0	0	0	109.5	I343 A359 A360 L365 N366 L369 V767 G768 I769 G770 S783 L796	I343-Y785 HydrophobicContact CD1-CD1 4.44Å; I343-Y785 HydrophobicContact CD1-CE1 3.9Å; A359-Y785 CarbonylContact O-C 3.59Å; A359-Y785 WeakPolarHBondContact O-CA 3.47Å; A360-Y785 HydrophobicContact CB-CD1 3.57Å; A360-Y785 HydrophobicContact CB-CE1 3.56Å; L365-Y785 HydrophobicContact CB-CE2 4.28Å; L365-Y785 PolarHBondContact O-OH 3.13Å; N366-Y785 VanDerWaalsContact CA-OH 3.29Å; N366-Y785 WeakPolarHBondContact CA-OH 3.47Å; N366-Y785 PolarHBondContact N-OH 2.99Å; N366-Y785 PolarHBondContact OD1-OH 2.7Å; L369-Y785 HydrophobicContact CD1-CD1 4.26Å; L369-Y785 HydrophobicContact CD1-CD2 4.29Å; L369-Y785 HydrophobicContact CD1-CE1 3.79Å; L369-Y785 HydrophobicContact CD1-CE2 3.81Å; L369-Y785 HydrophobicContact CD2-CD2 4.34Å; L369-Y785 HydrophobicContact CD2-CE2 4.25Å; L369-Y785 HydrophobicContact CG-CE2 4.01Å; V767-Y785 HydrophobicContact CG1-CD2 3.76Å; V767-Y785 HydrophobicContact CG1-CE2 3.83Å; G768-Y785 PolarHBondContact O-N 3.48Å; I769-Y785 CarbonylContact C-O 3.57Å; I769-Y785 WeakPolarHBondContact CA-O 3.35Å; G770-Y785 PolarHBondContact N-O 3.48Å; S783-Y785 WeakPolarHBondContact CB-O 3.36Å; S783-Y785 PolarHBondContact OG-O 3Å; S783-Y785 VanDerWaalsContact OG-O 3.08Å; Y785-L796 HydrophobicContact CD1-CD1 4.48Å
786	S	90.7	Very high	84.6	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.4	167.2	-170.2	0	0	0	0	111.4	A358 A359 G770 S772 A780	A358-S786 CarbonylContact C-O 3.44Å; A358-S786 WeakPolarHBondContact CA-O 3.33Å; A359-S786 PolarHBondContact N-O 3.36Å; A359-S786 PolarHBondContact O-N 2.89Å; G770-S786 WeakPolarHBondContact O-CA 3.47Å; G770-S786 VanDerWaalsContact O-CB 3.31Å; G770-S786 WeakPolarHBondContact O-CB 3.44Å; G770-S786 PolarHBondContact O-OG 3.13Å; S772-S786 PolarHBondContact OG-OG 3.1Å; A780-S786 WeakPolarHBondContact CB-OG 3.37Å
787	I	93.3	Very high	86.4	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.7	176.3	61.5	-178.6	0	0	0	108.2	A358 I752 I769 G770 I771 S772 Q789 Y792 L793 L796	A358-I787 HydrophobicContact CB-CG2 4.25Å; I752-I787 HydrophobicContact CD1-CD1 4.17Å; I769-I787 HydrophobicContact CG2-CD1 4.01Å; I769-I787 HydrophobicContact CG2-CG1 3.94Å; G770-I787 PolarHBondContact O-N 3.45Å; I771-I787 CarbonylContact C-O 3.57Å; I771-I787 VanDerWaalsContact CA-O 3.28Å; I771-I787 WeakPolarHBondContact CA-O 3.32Å; I771-I787 HydrophobicContact CD1-CD1 4.35Å; I771-I787 HydrophobicContact CD1-CG1 3.92Å; S772-I787 PolarHBondContact N-O 3.24Å; I787-Q789 WeakPolarHBondContact CD1-O 3.29Å; I787-Y792 HydrophobicContact CB-CD2 4.49Å; I787-L793 HydrophobicContact CD1-CB 4.28Å; I787-L796 HydrophobicContact CG2-CD2 4.19Å
788	A	91	Very high	87.7	Confident	8 Å²	8	16.5 Å²	16.5	7%	0.066	9%	0.086	C	C	.	.	S	Bend	trans	-79.8	-29	-175.9	0	0	0	0	0	114.2	H351 T356 Y792	H351-A788 HydrophobicContact CB-CB 3.38Å; T356-A788 WeakPolarHBondContact OG1-CB 3.4Å; A788-Y792 HydrophobicContact CB-CE2 4.23Å
789	Q	91.8	Very high	89	Confident	9 Å²	9	14 Å²	14	4%	0.042	7%	0.074	C	C	.	.	S	Bend	trans	-139	149	-179.6	-59.4	-170.2	-56	0	0	111.3	H351 D618 I787 R791 Y792	H351-Q789 PolarHBondContact CD2-OE1 3.09Å; H351-Q789 PolarHBondContact NE2-NE2 2.82Å; D618-Q789 PolarHBondContact OD2-NE2 3.09Å; I787-Q789 WeakPolarHBondContact CD1-O 3.29Å; Q789-R791 VanDerWaalsContact C-N 3.27Å; Q789-R791 HydrophobicContact CB-CG 4.13Å; Q789-R791 PolarHBondContact O-N 2.68Å; Q789-Y792 HydrophobicContact CB-CD2 3.91Å; Q789-Y792 HydrophobicContact CB-CE2 3.72Å; Q789-Y792 HydrophobicContact CG-CE2 4.03Å; Q789-Y792 VanDerWaalsContact O-CD2 3.28Å; Q789-Y792 WeakPolarHBondContact O-CD2 3.41Å; Q789-Y792 PolarHBondContact O-N 2.7Å
790	F	94.1	Very high	90.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.2	-179.7	-172.2	-92.1	0	0	0	113.1	T382 L383 V620 T623 I624 L627 L634 I752 Y792 L793	T382-F790 HydrophobicContact CG2-CD2 4.14Å; T382-F790 WeakPolarHBondContact O-CB 3.27Å; L383-F790 HydrophobicContact CD2-CD1 4.26Å; L383-F790 HydrophobicContact CD2-CD2 3.81Å; L383-F790 HydrophobicContact CD2-CE1 4.04Å; L383-F790 HydrophobicContact CD2-CE2 3.58Å; L383-F790 HydrophobicContact CD2-CG 4.15Å; L383-F790 HydrophobicContact CD2-CZ 3.71Å; V620-F790 HydrophobicContact CG2-CB 3.97Å; V620-F790 HydrophobicContact CG2-CD1 3.86Å; V620-F790 HydrophobicContact CG2-CG 4.16Å; T623-F790 HydrophobicContact CG2-CD1 3.74Å; T623-F790 HydrophobicContact CG2-CE1 3.52Å; I624-F790 HydrophobicContact CD1-CE1 4.4Å; I624-F790 HydrophobicContact CG1-CE1 3.87Å; I624-F790 HydrophobicContact CG1-CZ 4.23Å; L627-F790 HydrophobicContact CD1-CZ 4.45Å; L634-F790 HydrophobicContact CD1-CZ 4.3Å; I752-F790 HydrophobicContact CD1-CD2 4.05Å; I752-F790 HydrophobicContact CD1-CE2 4.38Å; I752-F790 HydrophobicContact CG2-CE2 4.04Å; F790-Y792 PolarHBondContact O-N 2.77Å; F790-Y792 VanDerWaalsContact O-N 3.1Å; F790-L793 HydrophobicContact CE2-CD2 4.09Å; F790-L793 HydrophobicContact CZ-CD2 4.09Å; F790-L793 WeakPolarHBondContact O-CB 3.42Å; F790-L793 PolarHBondContact O-N 3.35Å
791	R	94.1	Very high	91.2	Very high	98 Å²	98	14.8 Å²	14.8	37%	0.37	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.8	-178.4	58.4	165.4	176.4	148.3	-0.5	115	D618 T623 Q789 L793 T794	D618-R791 WeakPolarHBondContact O-CB 3.39Å; D618-R791 VanDerWaalsContact O-CD 3.3Å; D618-R791 WeakPolarHBondContact O-CD 3.46Å; D618-R791 VanDerWaalsContact O-CG 3.3Å; D618-R791 WeakPolarHBondContact O-CG 3.37Å; T623-R791 WeakPolarHBondContact OG1-CA 3.43Å; Q789-R791 VanDerWaalsContact C-N 3.27Å; Q789-R791 HydrophobicContact CB-CG 4.13Å; Q789-R791 PolarHBondContact O-N 2.68Å; R791-L793 PolarHBondContact O-N 2.64Å; R791-T794 WeakPolarHBondContact O-CB 3.37Å; R791-T794 PolarHBondContact O-N 2.69Å; R791-T794 PolarHBondContact O-OG1 2.97Å
792	Y	95.5	Very high	92.2	Very high	12 Å²	12	11.4 Å²	11.4	5%	0.047	6%	0.055	C	C	.	.	H	α-helix	trans	-68	-17.4	178.6	-56.1	-54.6	0	0	0	112.7	E348 M349 Y350 H351 I787 A788 Q789 F790 T794 R795 L796	E348-Y792 VanDerWaalsContact O-CD1 3.26Å; E348-Y792 WeakPolarHBondContact O-CD1 3.21Å; E348-Y792 VanDerWaalsContact O-CE1 3.23Å; E348-Y792 WeakPolarHBondContact O-CE1 3.41Å; M349-Y792 HydrophobicContact CB-CD1 4.23Å; M349-Y792 HydrophobicContact CB-CG 4.28Å; M349-Y792 HydrophobicContact CG-CD1 4.31Å; M349-Y792 HydrophobicContact CG-CG 4.49Å; Y350-Y792 PolarHBondContact O-OH 3.33Å; H351-Y792 HydrophobicContact CB-CE2 4.26Å; I787-Y792 HydrophobicContact CB-CD2 4.49Å; A788-Y792 HydrophobicContact CB-CE2 4.23Å; Q789-Y792 HydrophobicContact CB-CD2 3.91Å; Q789-Y792 HydrophobicContact CB-CE2 3.72Å; Q789-Y792 HydrophobicContact CG-CE2 4.03Å; Q789-Y792 VanDerWaalsContact O-CD2 3.28Å; Q789-Y792 WeakPolarHBondContact O-CD2 3.41Å; Q789-Y792 PolarHBondContact O-N 2.7Å; F790-Y792 PolarHBondContact O-N 2.77Å; F790-Y792 VanDerWaalsContact O-N 3.1Å; Y792-T794 PolarHBondContact O-N 3.18Å; Y792-R795 PolarHBondContact O-N 2.82Å; Y792-L796 PolarHBondContact O-N 2.74Å
793	L	95.1	Very high	93.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-55.4	-37.2	173.1	-172.7	58.5	0	0	0	112.4	I375 L627 L750 I752 I769 I787 F790 R791 R795 L796 L797	I375-L793 HydrophobicContact CD1-CD2 4.25Å; L627-L793 HydrophobicContact CD1-CD2 4.18Å; L750-L793 HydrophobicContact CD1-CD1 4.25Å; L750-L793 HydrophobicContact CD2-CD1 4.45Å; I752-L793 HydrophobicContact CD1-CD2 4.12Å; I769-L793 HydrophobicContact CD1-CD1 3.6Å; I787-L793 HydrophobicContact CD1-CB 4.28Å; F790-L793 HydrophobicContact CE2-CD2 4.09Å; F790-L793 HydrophobicContact CZ-CD2 4.09Å; F790-L793 WeakPolarHBondContact O-CB 3.42Å; F790-L793 PolarHBondContact O-N 3.35Å; R791-L793 PolarHBondContact O-N 2.64Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.45Å; L793-L796 PolarHBondContact O-N 3.47Å; L793-L797 HydrophobicContact CD1-CD1 3.82Å; L793-L797 HydrophobicContact CD1-CG 4.02Å; L793-L797 HydrophobicContact CG-CD1 3.96Å; L793-L797 HydrophobicContact CG-CG 4.5Å; L793-L797 WeakPolarHBondContact O-CB 3.33Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 3.45Å
794	T	94.6	Very high	93.5	Very high	16 Å²	16	11.1 Å²	11.1	10%	0.098	5%	0.048	C	C	.	.	H	α-helix	trans	-52.5	-49.2	172.9	-62.8	0	0	0	0	111.3	T623 R791 Y792 F798 V894	T623-T794 VanDerWaalsContact CG2-OG1 3.31Å; T623-T794 WeakPolarHBondContact CG2-OG1 3.16Å; T623-T794 PolarHBondContact OG1-OG1 3.5Å; R791-T794 WeakPolarHBondContact O-CB 3.37Å; R791-T794 PolarHBondContact O-N 2.69Å; R791-T794 PolarHBondContact O-OG1 2.97Å; Y792-T794 PolarHBondContact O-N 3.18Å; T794-F798 HydrophobicContact CG2-CD2 3.72Å; T794-F798 HydrophobicContact CG2-CE2 3.85Å; T794-F798 VanDerWaalsContact O-CB 3.28Å; T794-F798 WeakPolarHBondContact O-CB 3.25Å; T794-F798 VanDerWaalsContact O-CD2 3.27Å; T794-F798 WeakPolarHBondContact O-CD2 3.37Å; T794-F798 VanDerWaalsContact O-CG 3.27Å; T794-F798 WeakPolarHBondContact O-CG 3.47Å; T794-F798 PolarHBondContact O-N 3.23Å; T794-V894 HydrophobicContact CG2-CG1 4.11Å
795	R	95.1	Very high	93.7	Very high	34 Å²	34	10.8 Å²	10.8	13%	0.128	5%	0.046	C	C	.	.	H	α-helix	trans	-78.5	-39.4	-176.5	-174.7	169.8	174.7	113.2	-20.4	112.2	D346 E348 M349 Y792 L793 L797 V799 H800	D346-R795 IonicContact OD1-CZ 2.67Å; D346-R795 IonicContact OD1-NE 2.9Å; D346-R795 PolarHBondContact OD1-NE 2.94Å; D346-R795 IonicContact OD1-NH2 3.76Å; D346-R795 PolarHBondContact OD1-NH2 3.04Å; D346-R795 IonicContact OD2-CZ 3.97Å; D346-R795 IonicContact OD2-NE 3.01Å; D346-R795 PolarHBondContact OD2-NE 2.98Å; D346-R795 IonicContact OD2-NH2 3.66Å; D346-R795 PolarHBondContact OD2-NH2 3.13Å; E348-R795 VanDerWaalsContact CD-NH2 3.28Å; E348-R795 IonicContact OE1-CZ 2.76Å; E348-R795 IonicContact OE1-NH1 3.56Å; E348-R795 PolarHBondContact OE1-NH1 3.47Å; E348-R795 IonicContact OE1-NH2 3.57Å; E348-R795 PolarHBondContact OE1-NH2 3.46Å; E348-R795 IonicContact OE2-CZ 2.63Å; E348-R795 IonicContact OE2-NH1 3.2Å; E348-R795 PolarHBondContact OE2-NH1 3.02Å; E348-R795 IonicContact OE2-NH2 3.1Å; M349-R795 HydrophobicContact CG-CB 4.28Å; M349-R795 HydrophobicContact CG-CG 4.22Å; M349-R795 HydrophobicContact SD-CB 4.08Å; M349-R795 HydrophobicContact SD-CG 4.09Å; Y792-R795 PolarHBondContact O-N 2.82Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.45Å; R795-L797 VanDerWaalsContact C-N 3.32Å; R795-L797 PolarHBondContact O-N 3.31Å; R795-V799 HydrophobicContact CG-CB 4.22Å; R795-V799 HydrophobicContact CG-CG2 3.98Å; R795-V799 WeakPolarHBondContact O-CA 3.18Å; R795-V799 VanDerWaalsContact O-CB 3.3Å; R795-V799 WeakPolarHBondContact O-CB 3.34Å; R795-V799 PolarHBondContact O-N 2.87Å; R795-H800 PolarHBondContact O-N 3.43Å
796	L	96.2	Very high	93.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	5%	0.054	C	C	.	.	I	π-helix	trans	-59.4	-41.9	177.3	-176.2	62.5	0	0	0	111.9	I343 M349 L369 I769 Y785 I787 Y792 L793 H800 G801	I343-L796 HydrophobicContact CD1-CD1 4.17Å; I343-L796 HydrophobicContact CG1-CD1 4.38Å; I343-L796 HydrophobicContact CG2-CD1 4Å; M349-L796 HydrophobicContact CE-CD1 4.42Å; M349-L796 HydrophobicContact SD-CB 4.06Å; L369-L796 HydrophobicContact CD1-CD1 3.82Å; L369-L796 HydrophobicContact CD1-CG 3.99Å; L369-L796 HydrophobicContact CD2-CD2 4.35Å; L369-L796 HydrophobicContact CD2-CG 4.25Å; I769-L796 HydrophobicContact CD1-CD2 3.69Å; Y785-L796 HydrophobicContact CD1-CD1 4.48Å; I787-L796 HydrophobicContact CG2-CD2 4.19Å; Y792-L796 PolarHBondContact O-N 2.74Å; L793-L796 PolarHBondContact O-N 3.47Å; L796-H800 HydrophobicContact CD1-CB 4.49Å; L796-H800 WeakPolarHBondContact O-CB 3.3Å; L796-G801 PolarHBondContact O-N 3.39Å
797	L	95.4	Very high	93.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-79.4	-57.7	177.3	-64.7	174	0	0	0	112.3	L369 V372 I375 L627 I632 L750 L793 R795 V799 G801 A802 Y900	L369-L797 HydrophobicContact CB-CD2 4.22Å; L369-L797 HydrophobicContact CD2-CD2 3.77Å; L369-L797 VanDerWaalsContact O-CD2 3.29Å; L369-L797 WeakPolarHBondContact O-CD2 3.27Å; V372-L797 HydrophobicContact CB-CD2 4.41Å; V372-L797 HydrophobicContact CG2-CD2 3.89Å; I375-L797 HydrophobicContact CD1-CD1 3.95Å; L627-L797 HydrophobicContact CD2-CD1 3.82Å; I632-L797 HydrophobicContact CD1-CD1 4.41Å; L750-L797 HydrophobicContact CD1-CD2 3.87Å; L793-L797 HydrophobicContact CD1-CD1 3.82Å; L793-L797 HydrophobicContact CD1-CG 4.02Å; L793-L797 HydrophobicContact CG-CD1 3.96Å; L793-L797 HydrophobicContact CG-CG 4.5Å; L793-L797 WeakPolarHBondContact O-CB 3.33Å; L793-L797 WeakPolarHBondContact O-CG 3.34Å; L793-L797 PolarHBondContact O-N 3.45Å; R795-L797 VanDerWaalsContact C-N 3.32Å; R795-L797 PolarHBondContact O-N 3.31Å; L797-V799 PolarHBondContact O-N 3.2Å; L797-G801 WeakPolarHBondContact O-CA 3.34Å; L797-G801 PolarHBondContact O-N 2.86Å; L797-A802 PolarHBondContact O-N 3.49Å; L797-Y900 HydrophobicContact CB-CE2 4.14Å; L797-Y900 WeakPolarHBondContact O-CE2 3.4Å
798	F	94.1	Very high	93.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-75.2	-27	-168.5	-54.7	-26.5	0	0	0	113.8	L627 A630 I632 T794 A802 M893 P897 Y900	L627-F798 HydrophobicContact CD2-CE1 4.34Å; L627-F798 HydrophobicContact CD2-CZ 3.98Å; A630-F798 HydrophobicContact CB-CE1 3.53Å; A630-F798 HydrophobicContact CB-CZ 3.64Å; I632-F798 HydrophobicContact CD1-CE1 4.05Å; T794-F798 HydrophobicContact CG2-CD2 3.72Å; T794-F798 HydrophobicContact CG2-CE2 3.85Å; T794-F798 VanDerWaalsContact O-CB 3.28Å; T794-F798 WeakPolarHBondContact O-CB 3.25Å; T794-F798 VanDerWaalsContact O-CD2 3.27Å; T794-F798 WeakPolarHBondContact O-CD2 3.37Å; T794-F798 VanDerWaalsContact O-CG 3.27Å; T794-F798 WeakPolarHBondContact O-CG 3.47Å; T794-F798 PolarHBondContact O-N 3.23Å; F798-A802 WeakPolarHBondContact O-CB 3.17Å; F798-M893 WeakPolarHBondContact O-CB 3.04Å; F798-M893 WeakPolarHBondContact O-CE 3.31Å; F798-P897 HydrophobicContact CD2-CB 4.16Å; F798-P897 HydrophobicContact CD2-CG 4.3Å; F798-P897 HydrophobicContact CE2-CB 3.6Å; F798-P897 HydrophobicContact CE2-CG 3.83Å; F798-P897 HydrophobicContact CZ-CB 3.81Å; F798-P897 HydrophobicContact CZ-CG 4.49Å; F798-Y900 HydrophobicContact CD1-CD1 4.39Å; F798-Y900 AromaticContact CD1-CD2 3.68Å; F798-Y900 HydrophobicContact CD1-CD2 3.68Å; F798-Y900 HydrophobicContact CD1-CE2 4.34Å; F798-Y900 AromaticContact CD1-CG 3.7Å; F798-Y900 HydrophobicContact CD1-CG 3.7Å; F798-Y900 HydrophobicContact CE1-CD1 4.26Å; F798-Y900 HydrophobicContact CE1-CD2 4.34Å; F798-Y900 AromaticContact CE1-CG 3.99Å; F798-Y900 HydrophobicContact CE1-CG 3.99Å
799	V	93.8	Very high	93.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.055	C	C	.	.	I	π-helix	trans	-97.7	-68.3	175.4	-173.3	0	0	0	0	110	R795 L797 W803 A890 M893 V894	R795-V799 HydrophobicContact CG-CB 4.22Å; R795-V799 HydrophobicContact CG-CG2 3.98Å; R795-V799 WeakPolarHBondContact O-CA 3.18Å; R795-V799 VanDerWaalsContact O-CB 3.3Å; R795-V799 WeakPolarHBondContact O-CB 3.34Å; R795-V799 PolarHBondContact O-N 2.87Å; L797-V799 PolarHBondContact O-N 3.2Å; V799-W803 HydrophobicContact CG1-CD2 3.97Å; V799-W803 HydrophobicContact CG1-CE3 3.67Å; V799-W803 HydrophobicContact CG1-CH2 3.76Å; V799-W803 HydrophobicContact CG1-CZ2 4.02Å; V799-W803 HydrophobicContact CG1-CZ3 3.56Å; V799-W803 WeakPolarHBondContact O-CB 3.48Å; V799-W803 PolarHBondContact O-N 3.02Å; V799-A890 HydrophobicContact CG1-CB 3.71Å; V799-A890 HydrophobicContact CG2-CB 3.94Å; V799-M893 HydrophobicContact CG2-CB 4.39Å; V799-V894 HydrophobicContact CG2-CG2 3.74Å
800	H	95.1	Very high	93.8	Very high	16 Å²	16	14.2 Å²	14.2	7%	0.074	6%	0.06	C	C	.	.	I	π-helix	trans	-69.5	-45.6	-171.1	-69.9	-78.3	0	0	0	113	I343 D346 M349 R795 L796 S804	I343-H800 HydrophobicContact CD1-CB 4.23Å; I343-H800 HydrophobicContact CG1-CB 3.93Å; D346-H800 IonicContact OD2-CD2 3.75Å; D346-H800 IonicContact OD2-CE1 2.72Å; D346-H800 IonicContact OD2-NE2 3.62Å; D346-H800 PolarHBondContact OD2-NE2 2.73Å; M349-H800 VanDerWaalsContact CE-CD2 3.5Å; M349-H800 WeakPolarHBondContact CE-CD2 3.39Å; M349-H800 WeakPolarHBondContact CE-NE2 3.47Å; R795-H800 PolarHBondContact O-N 3.43Å; L796-H800 HydrophobicContact CD1-CB 4.49Å; L796-H800 WeakPolarHBondContact O-CB 3.3Å; H800-S804 WeakPolarHBondContact O-CB 3.43Å; H800-S804 PolarHBondContact O-N 3.27Å; H800-S804 PolarHBondContact O-OG 2.92Å
801	G	93.6	Very high	93.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-62.9	-55.5	179.1	0	0	0	0	0	113.1	L369 G370 L796 L797 W803 S804 F805	L369-G801 VanDerWaalsContact C-CA 3.49Å; G370-G801 WeakPolarHBondContact CA-O 3.47Å; L796-G801 PolarHBondContact O-N 3.39Å; L797-G801 WeakPolarHBondContact O-CA 3.34Å; L797-G801 PolarHBondContact O-N 2.86Å; G801-W803 PolarHBondContact O-N 3.02Å; G801-S804 PolarHBondContact O-N 3.5Å; G801-F805 WeakPolarHBondContact O-CB 3.24Å; G801-F805 PolarHBondContact O-N 3.33Å
802	A	92.4	Very high	93.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.5	-45.6	178.8	0	0	0	0	0	112.5	L797 F798 H806 M893 Y900	L797-A802 PolarHBondContact O-N 3.49Å; F798-A802 WeakPolarHBondContact O-CB 3.17Å; A802-H806 PolarHBondContact O-CD2 3.41Å; A802-H806 PolarHBondContact O-N 3.31Å; A802-H806 VanDerWaalsContact O-N 3.13Å; A802-M893 HydrophobicContact CB-CE 3.83Å; A802-Y900 HydrophobicContact CB-CD2 4.16Å
803	W	93.1	Very high	93.5	Very high	22 Å²	22	9.2 Å²	9.2	8%	0.083	4%	0.041	C	C	.	.	H	α-helix	trans	-63.3	-45.8	175.4	-74.4	-7.2	0	0	0	112.1	V799 G801 F805 H806 R807 R886 A888 A890	V799-W803 HydrophobicContact CG1-CD2 3.97Å; V799-W803 HydrophobicContact CG1-CE3 3.67Å; V799-W803 HydrophobicContact CG1-CH2 3.76Å; V799-W803 HydrophobicContact CG1-CZ2 4.02Å; V799-W803 HydrophobicContact CG1-CZ3 3.56Å; V799-W803 WeakPolarHBondContact O-CB 3.48Å; V799-W803 PolarHBondContact O-N 3.02Å; G801-W803 PolarHBondContact O-N 3.02Å; W803-F805 PolarHBondContact O-N 2.69Å; W803-H806 PolarHBondContact O-N 2.88Å; W803-R807 VanDerWaalsContact O-CB 3.29Å; W803-R807 WeakPolarHBondContact O-CB 3.29Å; W803-R807 WeakPolarHBondContact O-CD 3.31Å; W803-R807 WeakPolarHBondContact O-CG 3.35Å; W803-R807 PolarHBondContact O-N 3.32Å; W803-R886 HydrophobicContact CZ2-CG 4.25Å; W803-A888 WeakPolarHBondContact CZ2-O 3.23Å; W803-A888 PolarHBondContact NE1-O 3.16Å; W803-A888 VanDerWaalsContact NE1-O 3.14Å; W803-A890 HydrophobicContact CH2-CB 3.98Å; W803-A890 HydrophobicContact CZ2-CB 4.19Å
804	S	93.7	Very high	93.4	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.014	4%	0.042	C	C	.	.	H	α-helix	trans	-62.7	-42.9	-178.6	-60.8	0	0	0	0	111.4	N366 H800 G801 R807 M808	N366-S804 WeakPolarHBondContact O-CB 3.38Å; H800-S804 WeakPolarHBondContact O-CB 3.43Å; H800-S804 PolarHBondContact O-N 3.27Å; H800-S804 PolarHBondContact O-OG 2.92Å; G801-S804 PolarHBondContact O-N 3.5Å; S804-R807 PolarHBondContact O-N 3.3Å; S804-M808 VanDerWaalsContact O-CB 3.29Å; S804-M808 WeakPolarHBondContact O-CB 3.31Å; S804-M808 WeakPolarHBondContact O-CG 3.3Å; S804-M808 PolarHBondContact O-N 3.43Å
805	F	93.2	Very high	93.2	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	4%	0.038	C	C	.	.	H	α-helix	trans	-57.8	-54.4	173.5	177.8	-103.5	0	0	0	112.3	V259 E367 Q371 G801 W803 R807 M808 V809 S903 F909	V259-F805 HydrophobicContact CG2-CD2 4.19Å; V259-F805 HydrophobicContact CG2-CE2 3.99Å; E367-F805 HydrophobicContact CB-CB 4.36Å; E367-F805 HydrophobicContact CB-CD2 4.38Å; Q371-F805 HydrophobicContact CG-CD2 3.67Å; Q371-F805 HydrophobicContact CG-CE2 3.75Å; Q371-F805 HydrophobicContact CG-CG 4.36Å; Q371-F805 HydrophobicContact CG-CZ 4.47Å; G801-F805 WeakPolarHBondContact O-CB 3.24Å; G801-F805 PolarHBondContact O-N 3.33Å; W803-F805 PolarHBondContact O-N 2.69Å; F805-R807 PolarHBondContact O-N 2.88Å; F805-M808 PolarHBondContact O-N 2.97Å; F805-V809 HydrophobicContact CD2-CG2 4.19Å; F805-V809 HydrophobicContact CE1-CG2 4.18Å; F805-V809 HydrophobicContact CE2-CG2 3.79Å; F805-V809 HydrophobicContact CZ-CG2 3.8Å; F805-V809 WeakPolarHBondContact O-CB 3.3Å; F805-V809 VanDerWaalsContact O-CG2 3.31Å; F805-V809 WeakPolarHBondContact O-CG2 3.43Å; F805-V809 PolarHBondContact O-N 2.84Å; F805-S903 WeakPolarHBondContact CE1-O 3.4Å; F805-F909 HydrophobicContact CZ-CB 4.43Å
806	H	90.9	Very high	92.9	Very high	38 Å²	38	7 Å²	7	18%	0.176	3%	0.031	C	C	.	.	H	α-helix	trans	-63	-39.3	-178.7	-70.8	-53.3	0	0	0	112.9	A802 W803 K810 T887	A802-H806 PolarHBondContact O-CD2 3.41Å; A802-H806 PolarHBondContact O-N 3.31Å; A802-H806 VanDerWaalsContact O-N 3.13Å; W803-H806 PolarHBondContact O-N 2.88Å; H806-K810 WeakPolarHBondContact O-CG 3.4Å; H806-K810 PolarHBondContact O-N 3.41Å; H806-K810 VanDerWaalsContact O-N 3.12Å; H806-T887 HydrophobicContact CB-CG2 4.45Å
807	R	93.5	Very high	92.6	Very high	13 Å²	13	6.9 Å²	6.9	5%	0.049	3%	0.031	C	C	.	.	H	α-helix	trans	-61.1	-48.4	174.7	-73.3	167.6	-178.2	157.3	6.3	111.8	W803 S804 F805 K810 L811 I881 G882 D885	W803-R807 VanDerWaalsContact O-CB 3.29Å; W803-R807 WeakPolarHBondContact O-CB 3.29Å; W803-R807 WeakPolarHBondContact O-CD 3.31Å; W803-R807 WeakPolarHBondContact O-CG 3.35Å; W803-R807 PolarHBondContact O-N 3.32Å; S804-R807 PolarHBondContact O-N 3.3Å; F805-R807 PolarHBondContact O-N 2.88Å; R807-K810 PolarHBondContact O-N 2.98Å; R807-L811 VanDerWaalsContact O-CB 3.28Å; R807-L811 WeakPolarHBondContact O-CB 3.37Å; R807-L811 PolarHBondContact O-N 3.43Å; R807-I881 WeakPolarHBondContact CG-O 3.29Å; R807-G882 WeakPolarHBondContact CD-O 3.09Å; R807-D885 HydrophobicContact CG-CB 4.47Å; R807-D885 VanDerWaalsContact CZ-O 3.29Å; R807-D885 PolarHBondContact NE-O 3.01Å; R807-D885 PolarHBondContact NH2-O 3.38Å
808	M	92.3	Very high	92.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-65.8	-43.2	-178.3	-70.5	-70.9	-82.7	0	0	111.7	L332 V335 R336 E367 S804 F805 K810 L811 I812	L332-M808 HydrophobicContact CB-CE 4.34Å; L332-M808 HydrophobicContact CD2-CE 3.45Å; L332-M808 VanDerWaalsContact CD2-CE 3.45Å; L332-M808 HydrophobicContact CD2-SD 3.96Å; L332-M808 HydrophobicContact CG-CE 4.49Å; V335-M808 HydrophobicContact CB-SD 4.41Å; V335-M808 HydrophobicContact CG1-SD 3.7Å; R336-M808 HydrophobicContact CG-CE 3.67Å; E367-M808 HydrophobicContact CB-CB 4.38Å; E367-M808 HydrophobicContact CB-CG 4.35Å; S804-M808 VanDerWaalsContact O-CB 3.29Å; S804-M808 WeakPolarHBondContact O-CB 3.31Å; S804-M808 WeakPolarHBondContact O-CG 3.3Å; S804-M808 PolarHBondContact O-N 3.43Å; F805-M808 PolarHBondContact O-N 2.97Å; M808-K810 PolarHBondContact O-N 3.15Å; M808-L811 PolarHBondContact O-N 3.19Å; M808-L811 HydrophobicContact SD-CD1 4.49Å; M808-I812 WeakPolarHBondContact O-CD1 3.28Å; M808-I812 VanDerWaalsContact O-CG1 3.23Å; M808-I812 WeakPolarHBondContact O-CG1 3.14Å; M808-I812 PolarHBondContact O-N 3.27Å
809	V	91.8	Very high	91.8	Very high	8 Å²	8	7 Å²	7	5%	0.048	3%	0.032	C	C	.	.	H	α-helix	trans	-59.6	-47.3	175.7	168.9	0	0	0	0	111.6	F805 L813 F909	F805-V809 HydrophobicContact CD2-CG2 4.19Å; F805-V809 HydrophobicContact CE1-CG2 4.18Å; F805-V809 HydrophobicContact CE2-CG2 3.79Å; F805-V809 HydrophobicContact CZ-CG2 3.8Å; F805-V809 WeakPolarHBondContact O-CB 3.3Å; F805-V809 VanDerWaalsContact O-CG2 3.31Å; F805-V809 WeakPolarHBondContact O-CG2 3.43Å; F805-V809 PolarHBondContact O-N 2.84Å; V809-L813 HydrophobicContact CG1-CD1 3.92Å; V809-L813 WeakPolarHBondContact O-CG 3.29Å; V809-L813 PolarHBondContact O-N 2.78Å; V809-F909 HydrophobicContact CB-CB 4.47Å; V809-F909 HydrophobicContact CG1-CB 3.91Å; V809-F909 HydrophobicContact CG1-CD2 3.9Å; V809-F909 HydrophobicContact CG1-CG 4.2Å; V809-F909 HydrophobicContact CG2-CB 3.69Å; V809-F909 HydrophobicContact CG2-CD1 4.46Å; V809-F909 HydrophobicContact CG2-CD2 4.29Å; V809-F909 HydrophobicContact CG2-CG 3.93Å
810	K	91.6	Very high	91.3	Very high	36 Å²	36	7.1 Å²	7.1	16%	0.157	3%	0.032	C	C	.	.	H	α-helix	trans	-61.3	-45.9	175.2	-75.2	-172	180	-170.8	0	112.1	H806 R807 M808 I812 L813 Y814 I881 D885 E1009 D1011	H806-K810 WeakPolarHBondContact O-CG 3.4Å; H806-K810 PolarHBondContact O-N 3.41Å; H806-K810 VanDerWaalsContact O-N 3.12Å; R807-K810 PolarHBondContact O-N 2.98Å; M808-K810 PolarHBondContact O-N 3.15Å; K810-I812 PolarHBondContact O-N 3.3Å; K810-L813 PolarHBondContact O-N 2.93Å; K810-Y814 VanDerWaalsContact O-CB 3.25Å; K810-Y814 WeakPolarHBondContact O-CB 3.16Å; K810-Y814 PolarHBondContact O-N 3.36Å; K810-I881 HydrophobicContact CB-CG2 3.62Å; K810-I881 HydrophobicContact CD-CG2 4.37Å; K810-D885 WeakPolarHBondContact CD-OD2 3.47Å; K810-D885 WeakPolarHBondContact CE-OD2 3.49Å; K810-D885 IonicContact NZ-OD2 2.69Å; K810-D885 PolarHBondContact NZ-OD2 2.94Å; K810-E1009 PolarHBondContact NZ-O 3.29Å; K810-D1011 IonicContact NZ-OD2 3.45Å; K810-D1011 PolarHBondContact NZ-OD2 3.14Å
811	L	93.7	Very high	90.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-57.5	-47.2	179.7	-179.6	167.9	0	0	0	111.6	L328 T331 L332 V335 R807 M808 S815 P878	L328-L811 HydrophobicContact CD1-CD2 4.08Å; T331-L811 HydrophobicContact CG2-CD1 4.11Å; T331-L811 HydrophobicContact CG2-CD2 4.13Å; T331-L811 HydrophobicContact CG2-CG 4.35Å; L332-L811 HydrophobicContact CD2-CD2 3.74Å; L332-L811 HydrophobicContact CG-CD2 4.33Å; V335-L811 HydrophobicContact CB-CD1 4.16Å; V335-L811 HydrophobicContact CG1-CD1 4.16Å; V335-L811 HydrophobicContact CG2-CD1 3.73Å; R807-L811 VanDerWaalsContact O-CB 3.28Å; R807-L811 WeakPolarHBondContact O-CB 3.37Å; R807-L811 PolarHBondContact O-N 3.43Å; M808-L811 PolarHBondContact O-N 3.19Å; M808-L811 HydrophobicContact SD-CD1 4.49Å; L811-S815 WeakPolarHBondContact O-CB 3.11Å; L811-S815 PolarHBondContact O-N 3.24Å; L811-S815 PolarHBondContact O-OG 3.02Å; L811-P878 WeakPolarHBondContact CD1-O 3.34Å; L811-P878 HydrophobicContact CG-CB 4.25Å
812	I	92.4	Very high	89.6	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63	-52.6	-179.3	-67.6	160.7	0	0	0	110.5	V259 T263 L332 M808 K810 Y814 S815 F816 F909	V259-I812 HydrophobicContact CG1-CD1 3.43Å; V259-I812 VanDerWaalsContact CG1-CD1 3.43Å; T263-I812 HydrophobicContact CG2-CG2 4.18Å; L332-I812 HydrophobicContact CD2-CD1 4.09Å; L332-I812 HydrophobicContact CD2-CG1 3.72Å; M808-I812 WeakPolarHBondContact O-CD1 3.28Å; M808-I812 VanDerWaalsContact O-CG1 3.23Å; M808-I812 WeakPolarHBondContact O-CG1 3.14Å; M808-I812 PolarHBondContact O-N 3.27Å; K810-I812 PolarHBondContact O-N 3.3Å; I812-Y814 PolarHBondContact O-N 3.06Å; I812-S815 PolarHBondContact O-N 3.39Å; I812-S815 VanDerWaalsContact O-N 3.13Å; I812-F816 HydrophobicContact CG2-CD2 3.83Å; I812-F816 HydrophobicContact CG2-CE2 3.49Å; I812-F816 VanDerWaalsContact CG2-CE2 3.49Å; I812-F816 VanDerWaalsContact O-CD2 3.27Å; I812-F816 WeakPolarHBondContact O-CD2 3.29Å; I812-F816 PolarHBondContact O-N 2.88Å; I812-F909 HydrophobicContact CD1-CZ 4.4Å; I812-F909 HydrophobicContact CG2-CE2 4.17Å; I812-F909 HydrophobicContact CG2-CZ 4.08Å
813	L	91.9	Very high	88.5	Confident	5 Å²	5	7 Å²	7	3%	0.026	3%	0.031	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-178.7	-68.1	169.3	0	0	0	111.9	V809 K810 H817 F909 V913 F914 W917	V809-L813 HydrophobicContact CG1-CD1 3.92Å; V809-L813 WeakPolarHBondContact O-CG 3.29Å; V809-L813 PolarHBondContact O-N 2.78Å; K810-L813 PolarHBondContact O-N 2.93Å; L813-H817 WeakPolarHBondContact O-CB 3.35Å; L813-H817 PolarHBondContact O-N 3.32Å; L813-F909 HydrophobicContact CD2-CE2 4.26Å; L813-F909 HydrophobicContact CG-CD2 4.47Å; L813-F909 HydrophobicContact CG-CE2 4.35Å; L813-V913 HydrophobicContact CD1-CG1 3.81Å; L813-V913 HydrophobicContact CD2-CG1 4.45Å; L813-F914 HydrophobicContact CD2-CB 4.39Å; L813-F914 HydrophobicContact CD2-CD2 4.46Å; L813-W917 HydrophobicContact CB-CD2 3.82Å; L813-W917 HydrophobicContact CB-CE3 4.05Å; L813-W917 HydrophobicContact CB-CG 4.14Å; L813-W917 HydrophobicContact CB-CZ2 4.42Å; L813-W917 HydrophobicContact CB-CZ3 4.43Å; L813-W917 HydrophobicContact CD2-CB 4.46Å; L813-W917 HydrophobicContact CD2-CG 4.29Å
814	Y	92.2	Very high	87.2	Confident	1 Å²	1	6 Å²	6	0%	0.004	3%	0.028	C	C	.	.	H	α-helix	trans	-65.1	-37.2	174.2	174.5	-103.1	0	0	0	112.7	K810 I812 H817 K818 P877 P878 I881 V1002 A1006	K810-Y814 VanDerWaalsContact O-CB 3.25Å; K810-Y814 WeakPolarHBondContact O-CB 3.16Å; K810-Y814 PolarHBondContact O-N 3.36Å; I812-Y814 PolarHBondContact O-N 3.06Å; Y814-H817 PolarHBondContact O-N 3.39Å; Y814-K818 HydrophobicContact CD1-CD 4.3Å; Y814-K818 HydrophobicContact CE1-CD 3.8Å; Y814-K818 WeakPolarHBondContact O-CB 3.46Å; Y814-K818 PolarHBondContact O-N 2.77Å; Y814-P877 HydrophobicContact CE1-CB 4.15Å; Y814-P878 HydrophobicContact CD1-CG 4Å; Y814-P878 HydrophobicContact CE1-CG 3.75Å; Y814-I881 HydrophobicContact CD1-CD1 4.01Å; Y814-I881 HydrophobicContact CE1-CD1 4.47Å; Y814-I881 HydrophobicContact CG-CD1 4.14Å; Y814-V1002 HydrophobicContact CE2-CG1 4.27Å; Y814-V1002 WeakPolarHBondContact CE2-O 3.41Å; Y814-V1002 WeakPolarHBondContact OH-CG1 3.38Å; Y814-V1002 PolarHBondContact OH-O 3.45Å; Y814-A1006 HydrophobicContact CD2-CB 4.44Å; Y814-A1006 HydrophobicContact CE1-CB 4.32Å; Y814-A1006 HydrophobicContact CE2-CB 3.73Å
815	S	90.5	Very high	85.4	Confident	2 Å²	2	6 Å²	6	1%	0.014	3%	0.027	C	C	.	.	H	α-helix	trans	-71.2	-31.9	-178.9	-64.6	0	0	0	0	113.5	L811 I812 N819	L811-S815 WeakPolarHBondContact O-CB 3.11Å; L811-S815 PolarHBondContact O-N 3.24Å; L811-S815 PolarHBondContact O-OG 3.02Å; I812-S815 PolarHBondContact O-N 3.39Å; I812-S815 VanDerWaalsContact O-N 3.13Å; S815-N819 PolarHBondContact O-ND2 2.57Å
816	F	89.7	Confident	83.5	Confident	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-70.1	-51.6	165.7	-70.6	-59.8	0	0	0	110.7	T263 Q266 I267 L270 P325 L328 I812 K818 N819 I820 F914 M918	T263-F816 HydrophobicContact CG2-CE2 4.26Å; T263-F816 HydrophobicContact CG2-CZ 4.14Å; Q266-F816 HydrophobicContact CB-CE2 4.47Å; Q266-F816 HydrophobicContact CB-CZ 4.46Å; I267-F816 HydrophobicContact CG1-CE1 4.15Å; I267-F816 HydrophobicContact CG1-CZ 3.93Å; L270-F816 HydrophobicContact CD1-CD1 3.44Å; L270-F816 VanDerWaalsContact CD1-CD1 3.44Å; L270-F816 HydrophobicContact CD1-CE1 3.44Å; L270-F816 VanDerWaalsContact CD1-CE1 3.44Å; L270-F816 HydrophobicContact CD1-CG 4.34Å; L270-F816 HydrophobicContact CD1-CZ 4.32Å; P325-F816 HydrophobicContact CG-CD1 3.83Å; P325-F816 HydrophobicContact CG-CE1 3.83Å; L328-F816 HydrophobicContact CD2-CE1 4.03Å; L328-F816 HydrophobicContact CD2-CE2 4.24Å; L328-F816 HydrophobicContact CD2-CZ 3.75Å; I812-F816 HydrophobicContact CG2-CD2 3.83Å; I812-F816 HydrophobicContact CG2-CE2 3.49Å; I812-F816 VanDerWaalsContact CG2-CE2 3.49Å; I812-F816 VanDerWaalsContact O-CD2 3.27Å; I812-F816 WeakPolarHBondContact O-CD2 3.29Å; I812-F816 PolarHBondContact O-N 2.88Å; F816-K818 VanDerWaalsContact C-N 3.34Å; F816-K818 PolarHBondContact O-N 3.04Å; F816-N819 PolarHBondContact O-N 3.41Å; F816-N819 VanDerWaalsContact O-N 3.1Å; F816-I820 HydrophobicContact CB-CD1 4.19Å; F816-I820 WeakPolarHBondContact O-CB 3.27Å; F816-I820 VanDerWaalsContact O-CG1 3.29Å; F816-I820 WeakPolarHBondContact O-CG1 2.89Å; F816-I820 PolarHBondContact O-N 3.14Å; F816-F914 HydrophobicContact CD2-CD2 4.26Å; F816-F914 AromaticContact CD2-CE2 3.71Å; F816-F914 HydrophobicContact CD2-CE2 3.71Å; F816-F914 AromaticContact CE2-CE2 3.95Å; F816-F914 HydrophobicContact CE2-CE2 3.95Å; F816-F914 HydrophobicContact CG-CE2 4.07Å; F816-M918 HydrophobicContact CB-CE 3.78Å; F816-M918 HydrophobicContact CB-SD 4.21Å
817	H	89.6	Confident	81.4	Confident	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-52.9	-46.4	-179.2	179.2	99.9	0	0	0	112.8	L813 Y814 N819 I820 C821 W917 A921 H924	L813-H817 WeakPolarHBondContact O-CB 3.35Å; L813-H817 PolarHBondContact O-N 3.32Å; Y814-H817 PolarHBondContact O-N 3.39Å; H817-N819 VanDerWaalsContact C-N 3.31Å; H817-N819 PolarHBondContact O-N 3.34Å; H817-I820 PolarHBondContact O-N 3.2Å; H817-C821 WeakPolarHBondContact O-CB 3.42Å; H817-C821 PolarHBondContact O-N 2.85Å; H817-W917 HydrophobicContact CB-CE3 3.96Å; H817-W917 HydrophobicContact CB-CZ3 4.49Å; H817-W917 PolarHBondContact ND1-O 3.3Å; H817-A921 HydrophobicContact CB-CB 4.32Å; H817-A921 VanDerWaalsContact CE1-CA 3.49Å; H817-A921 WeakPolarHBondContact CE1-CA 3.46Å; H817-A921 PolarHBondContact CE1-N 2.98Å; H817-A921 WeakPolarHBondContact ND1-CB 3.45Å; H817-A921 PolarHBondContact ND1-N 3.26Å; H817-H924 AromaticContact CE1-CE1 3.83Å; H817-H924 AromaticContact CE1-ND1 3.3Å; H817-H924 PolarHBondContact CE1-ND1 3.08Å; H817-H924 VanDerWaalsContact CE1-ND1 3.3Å; H817-H924 AromaticContact NE2-CE1 3.75Å; H817-H924 AromaticContact NE2-ND1 3.11Å; H817-H924 PolarHBondContact NE2-ND1 2.92Å; H817-H924 VanDerWaalsContact NE2-ND1 3.11Å
818	K	87.9	Confident	78.8	Confident	3 Å²	3	5.7 Å²	5.7	1%	0.013	3%	0.03	C	C	.	.	H	α-helix	trans	-65.5	-30.3	-178.7	78.6	-174.1	-171.2	70.1	0	114	Y814 F816 Y869 N870 T874 P878 V1002	Y814-K818 HydrophobicContact CD1-CD 4.3Å; Y814-K818 HydrophobicContact CE1-CD 3.8Å; Y814-K818 WeakPolarHBondContact O-CB 3.46Å; Y814-K818 PolarHBondContact O-N 2.77Å; F816-K818 VanDerWaalsContact C-N 3.34Å; F816-K818 PolarHBondContact O-N 3.04Å; K818-Y869 WeakPolarHBondContact O-CE1 3.47Å; K818-Y869 PolarHBondContact O-OH 3.11Å; K818-N870 PolarHBondContact NZ-OD1 2.76Å; K818-T874 PolarHBondContact NZ-OG1 3.14Å; K818-P878 HydrophobicContact CD-CG 4.19Å; K818-V1002 HydrophobicContact CB-CG1 3.61Å; K818-V1002 HydrophobicContact CB-CG2 4.43Å
819	N	85.2	Confident	76	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-78.5	-50.1	177.8	-84.3	-89.3	0	0	0	110	N322 P325 S815 F816 H817 C821 L822 Y823 N870	N322-N819 PolarHBondContact O-OD1 3.08Å; P325-N819 WeakPolarHBondContact CB-ND2 3.12Å; S815-N819 PolarHBondContact O-ND2 2.57Å; F816-N819 PolarHBondContact O-N 3.41Å; F816-N819 VanDerWaalsContact O-N 3.1Å; H817-N819 VanDerWaalsContact C-N 3.31Å; H817-N819 PolarHBondContact O-N 3.34Å; N819-C821 VanDerWaalsContact C-N 3.27Å; N819-C821 PolarHBondContact O-N 3.42Å; N819-L822 WeakPolarHBondContact O-CA 3.46Å; N819-L822 WeakPolarHBondContact O-CB 3.06Å; N819-L822 PolarHBondContact O-N 3.36Å; N819-Y823 HydrophobicContact CB-CD2 4.34Å; N819-Y823 HydrophobicContact CB-CE2 4.47Å; N819-Y823 WeakPolarHBondContact O-CD2 3.28Å; N819-Y823 PolarHBondContact O-N 2.7Å; N819-N870 PolarHBondContact ND2-OD1 2.89Å; N819-N870 VanDerWaalsContact ND2-OD1 3.12Å; N819-N870 VanDerWaalsContact OD1-CG 3.28Å; N819-N870 PolarHBondContact OD1-ND2 2.9Å; N819-N870 PolarHBondContact OD1-OD1 2.94Å
820	I	83.3	Confident	73.2	Confident	3 Å²	3	11.9 Å²	11.9	2%	0.015	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-38.8	179.3	-67.9	173.2	0	0	0	110.8	L270 L323 F816 H817 L822 I824 M918 A921 M922	L270-I820 HydrophobicContact CD2-CD1 4.06Å; L323-I820 HydrophobicContact CD1-CG1 3.91Å; L323-I820 HydrophobicContact CG-CG1 4.5Å; F816-I820 HydrophobicContact CB-CD1 4.19Å; F816-I820 WeakPolarHBondContact O-CB 3.27Å; F816-I820 VanDerWaalsContact O-CG1 3.29Å; F816-I820 WeakPolarHBondContact O-CG1 2.89Å; F816-I820 PolarHBondContact O-N 3.14Å; H817-I820 PolarHBondContact O-N 3.2Å; I820-L822 PolarHBondContact O-N 3.24Å; I820-I824 HydrophobicContact CG2-CD1 3.42Å; I820-I824 VanDerWaalsContact CG2-CD1 3.42Å; I820-I824 HydrophobicContact CG2-CG1 3.94Å; I820-I824 VanDerWaalsContact O-CB 3.24Å; I820-I824 WeakPolarHBondContact O-CB 3.48Å; I820-I824 WeakPolarHBondContact O-CG1 3.47Å; I820-I824 PolarHBondContact O-N 3.42Å; I820-M918 HydrophobicContact CD1-CE 4.35Å; I820-M918 HydrophobicContact CD1-SD 3.18Å; I820-M918 WeakPolarHBondContact CD1-SD 3.47Å; I820-A921 HydrophobicContact CB-CB 3.93Å; I820-A921 HydrophobicContact CG2-CB 3.51Å; I820-M922 HydrophobicContact CG2-CG 4.39Å
821	C	79	Confident	70.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-24	173.4	-173.5	0	0	0	0	114.2	H817 N819 L928 V1002	H817-C821 WeakPolarHBondContact O-CB 3.42Å; H817-C821 PolarHBondContact O-N 2.85Å; N819-C821 VanDerWaalsContact C-N 3.27Å; N819-C821 PolarHBondContact O-N 3.42Å; C821-L928 WeakPolarHBondContact SG-CD1 3.18Å; C821-V1002 HydrophobicContact CB-CG2 4.32Å
822	L	73	Confident	67.4	Low	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-90.1	-50.5	175.5	-168.9	77.6	0	0	0	111.7	N819 I820 I825 F861 Y869 Y974 F995 V998	N819-L822 WeakPolarHBondContact O-CA 3.46Å; N819-L822 WeakPolarHBondContact O-CB 3.06Å; N819-L822 PolarHBondContact O-N 3.36Å; I820-L822 PolarHBondContact O-N 3.24Å; L822-I825 WeakPolarHBondContact O-CD1 3.39Å; L822-I825 WeakPolarHBondContact O-CG1 3.41Å; L822-F861 HydrophobicContact CD1-CE2 3.96Å; L822-F861 HydrophobicContact CD1-CZ 4.03Å; L822-F861 HydrophobicContact CG-CE2 4Å; L822-Y869 HydrophobicContact CB-CE1 4Å; L822-Y869 HydrophobicContact CD1-CE2 4.25Å; L822-Y869 HydrophobicContact CD2-CD1 3.59Å; L822-Y869 HydrophobicContact CD2-CD2 4.09Å; L822-Y869 HydrophobicContact CD2-CE1 3.83Å; L822-Y869 HydrophobicContact CD2-CE2 4.3Å; L822-Y869 HydrophobicContact CD2-CG 3.71Å; L822-Y869 HydrophobicContact CG-CE1 4.41Å; L822-Y974 HydrophobicContact CD1-CE2 3.84Å; L822-F995 HydrophobicContact CD1-CE1 4.23Å; L822-V998 HydrophobicContact CD1-CB 4.31Å; L822-V998 HydrophobicContact CD1-CG1 4.14Å; L822-V998 HydrophobicContact CD1-CG2 4.09Å
823	Y	70.1	Confident	64.5	Low	12 Å²	12	34 Å²	34	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-84.3	-18.6	-170.4	-61.5	-69.3	0	0	0	114.2	N322 N819 I825 I866	N322-Y823 HydrophobicContact CB-CD1 4.05Å; N322-Y823 HydrophobicContact CB-CD2 3.7Å; N322-Y823 HydrophobicContact CB-CE1 3.58Å; N322-Y823 HydrophobicContact CB-CE2 3.23Å; N322-Y823 HydrophobicContact CB-CG 4.12Å; N322-Y823 WeakPolarHBondContact CB-OH 3.38Å; N322-Y823 WeakPolarHBondContact O-CD2 3.44Å; N819-Y823 HydrophobicContact CB-CD2 4.34Å; N819-Y823 HydrophobicContact CB-CE2 4.47Å; N819-Y823 WeakPolarHBondContact O-CD2 3.28Å; N819-Y823 PolarHBondContact O-N 2.7Å; Y823-I825 PolarHBondContact O-N 3.4Å; Y823-I866 HydrophobicContact CE1-CG2 3.93Å; Y823-I866 WeakPolarHBondContact OH-CG2 3.4Å
824	I	66.1	Low	61.6	Low	2 Å²	2	38.9 Å²	38.9	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	-78.3	40.9	168.7	-58.3	-165.6	0	0	0	110.5	L323 I820 Q846 W848 M922 S925	L323-I824 HydrophobicContact CD1-CD1 4.35Å; L323-I824 HydrophobicContact CD1-CG1 4.32Å; I820-I824 HydrophobicContact CG2-CD1 3.42Å; I820-I824 VanDerWaalsContact CG2-CD1 3.42Å; I820-I824 HydrophobicContact CG2-CG1 3.94Å; I820-I824 VanDerWaalsContact O-CB 3.24Å; I820-I824 WeakPolarHBondContact O-CB 3.48Å; I820-I824 WeakPolarHBondContact O-CG1 3.47Å; I820-I824 PolarHBondContact O-N 3.42Å; I824-Q846 HydrophobicContact CD1-CB 4.24Å; I824-Q846 HydrophobicContact CD1-CG 3.72Å; I824-Q846 HydrophobicContact CG1-CB 4.17Å; I824-Q846 HydrophobicContact CG1-CG 4.13Å; I824-W848 HydrophobicContact CG2-CZ2 4.36Å; I824-W848 PolarHBondContact O-NE1 3Å; I824-M922 HydrophobicContact CD1-CG 3.64Å; I824-M922 HydrophobicContact CD1-SD 3.9Å; I824-M922 HydrophobicContact CG2-CG 4.19Å; I824-S925 WeakPolarHBondContact CG2-OG 3.48Å; I824-S925 WeakPolarHBondContact O-CB 3.44Å; I824-S925 PolarHBondContact O-OG 2.95Å; I824-S925 VanDerWaalsContact O-OG 3.05Å
825	I	56	Low	58.8	Low	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.266	C	S	.	.			trans	-91	-156.5	153.2	-60.8	168.7	0	0	0	104.6	L822 Y823 A827 L847 W848 F849 L860 F861 F929	L822-I825 WeakPolarHBondContact O-CD1 3.39Å; L822-I825 WeakPolarHBondContact O-CG1 3.41Å; Y823-I825 PolarHBondContact O-N 3.4Å; I825-A827 PolarHBondContact O-N 3.36Å; I825-L847 CarbonylContact O-C 3.15Å; I825-L847 VanDerWaalsContact O-CA 3.24Å; I825-L847 WeakPolarHBondContact O-CA 3.46Å; I825-W848 PolarHBondContact O-N 2.83Å; I825-F849 HydrophobicContact CG2-CB 3.56Å; I825-L860 HydrophobicContact CD1-CD2 4.29Å; I825-L860 HydrophobicContact CG2-CD2 3.9Å; I825-F861 HydrophobicContact CD1-CE2 4Å; I825-F861 HydrophobicContact CD1-CZ 3.69Å; I825-F929 HydrophobicContact CG2-CD2 3.63Å; I825-F929 HydrophobicContact CG2-CE2 4.19Å; I825-F929 HydrophobicContact CG2-CG 4.23Å
826	E	53.1	Low	56.1	Low	11 Å²	11	52.3 Å²	52.3	5%	0.051	30%	0.301	C	S	.	.	S	Bend	trans	65.6	36.5	165.6	-47.4	-170.7	147.6	0	0	121.4	L319 Y320 F849 A850 T859 L860	L319-E826 WeakPolarHBondContact CD1-OE2 3.39Å; L319-E826 WeakPolarHBondContact CG-OE2 3.42Å; Y320-E826 HydrophobicContact CE1-CB 4.4Å; Y320-E826 PolarHBondContact OH-O 3.05Å; E826-F849 HydrophobicContact CG-CB 4.34Å; E826-F849 HydrophobicContact CG-CD1 4.32Å; E826-A850 HydrophobicContact CB-CB 4.24Å; E826-T859 WeakPolarHBondContact OE1-CA 3.25Å; E826-L860 PolarHBondContact OE1-N 3.14Å
827	A	46.7	Very low	53.7	Low	1 Å²	1	58 Å²	58	1%	0.008	34%	0.34	C	S	.	.	S	Bend	trans	149.7	58.3	138	0	0	0	0	0	123.9	I825 L847 W848 F849 A850 L851 W855	I825-A827 PolarHBondContact O-N 3.36Å; A827-L847 VanDerWaalsContact C-C 3.43Å; A827-L847 CarbonylContact C-O 3.48Å; A827-L847 HydrophobicContact CB-CB 4.16Å; A827-L847 HydrophobicContact CB-CD2 4.08Å; A827-L847 WeakPolarHBondContact O-CB 3.07Å; A827-W848 CarbonylContact C-O 2.51Å; A827-F849 VanDerWaalsContact N-N 3.15Å; A827-A850 VanDerWaalsContact CA-N 3.25Å; A827-A850 HydrophobicContact CB-CB 3.99Å; A827-A850 VanDerWaalsContact N-N 3.15Å; A827-L851 HydrophobicContact CB-CB 4.42Å; A827-L851 HydrophobicContact CB-CG 4.27Å; A827-L851 WeakPolarHBondContact O-CG 3.48Å; A827-W855 HydrophobicContact CB-CD2 4.42Å; A827-W855 HydrophobicContact CB-CE3 3.91Å; A827-W855 HydrophobicContact CB-CH2 3.72Å; A827-W855 HydrophobicContact CB-CZ2 4.23Å; A827-W855 HydrophobicContact CB-CZ3 3.54Å
828	S	39.3	Very low	51	Low	34 Å²	34	63.5 Å²	63.5	24%	0.238	38%	0.377	C	S	.	.			trans	-157.3	166.3	172	-159.2	0	0	0	0	115.5	L847 W848 L851 W930	S828-L847 VanDerWaalsContact CA-O 3.23Å; S828-L847 WeakPolarHBondContact CA-O 3.3Å; S828-L847 WeakPolarHBondContact CB-O 3.43Å; S828-L847 PolarHBondContact N-O 3.38Å; S828-W848 PolarHBondContact N-O 3.13Å; S828-W848 WeakPolarHBondContact O-CB 3.38Å; S828-W848 VanDerWaalsContact O-O 3.09Å; S828-L851 VanDerWaalsContact CA-CD1 3.42Å; S828-W930 WeakPolarHBondContact O-CZ2 3.21Å; S828-W930 PolarHBondContact O-NE1 3.03Å
829	G	33.3	Very low	48.4	Very low	37 Å²	37	70.9 Å²	70.9	38%	0.381	41%	0.414	S	S	.	.			trans	134.2	53.9	-179.1	0	0	0	0	0	114
830	C	32	Very low	46.1	Very low	101 Å²	101	77.7 Å²	77.7	68%	0.682	45%	0.45	S	S	*	.			trans	-90.5	116	-178.1	-168.8	0	0	0	0	112.2	C832	C830-C832 PolarHBondContact O-N 3.16Å; C830-C832 VanDerWaalsContact O-N 3.14Å
831	T	33.3	Very low	43.4	Very low	139 Å²	139	86.8 Å²	86.8	85%	0.853	49%	0.492	S	S	*	.			trans	-79.8	91	169.7	-53	0	0	0	0	109.7	R833	T831-R833 PolarHBondContact O-N 3.41Å
832	C	31	Very low	41.4	Very low	117 Å²	117	94.9 Å²	94.9	79%	0.791	53%	0.527	S	S	*	.			trans	-62.4	126.1	177.3	-67.8	0	0	0	0	111.1	C830	C830-C832 PolarHBondContact O-N 3.16Å; C830-C832 VanDerWaalsContact O-N 3.14Å
833	R	30.4	Very low	39.5	Very low	245 Å²	245	99.2 Å²	99.2	93%	0.925	56%	0.558	S	S	*	*			trans	-130.7	136.2	165.8	-161.3	176	-166.2	174.4	5.1	108.7	T831	T831-R833 PolarHBondContact O-N 3.41Å
834	S	32.7	Very low	37.8	Very low	107 Å²	107	107.5 Å²	107.5	75%	0.748	59%	0.59	S	S	*	*	S	Bend	trans	90.4	97.4	177.7	-136.7	0	0	0	0	117.7
835	M	32.4	Very low	36.6	Very low	165 Å²	165	110.1 Å²	110.1	81%	0.813	60%	0.602	S	S	*	*				88.6	105.7	122.2	-145.4	138.1	174.5	0	0	121
836	T	34.6	Very low	36	Very low	120 Å²	120	110.2 Å²	110.2	74%	0.736	60%	0.602	S	S	*	*			trans	58.8	84.9	143.3	53.9	0	0	0	0	120.4
837	S	38.3	Very low	36.2	Very low	119 Å²	119	110.2 Å²	110.2	83%	0.832	60%	0.602	S	S	*	*				-176.8	140.9	111.1	-76.5	0	0	0	0	111.1
838	P	33.7	Very low	36.8	Very low	117 Å²	117	111.4 Å²	111.4	76%	0.76	61%	0.607	S	S	*	*			trans	-89.3	149.1	171.5	35.5	-32.7	0	0	0	111.9
839	I	32.8	Very low	38	Very low	157 Å²	157	110.6 Å²	110.6	81%	0.805	60%	0.599	S	S	*	*			trans	150.4	133.6	152.6	-82	157	0	0	0	109.2
840	I	36.1	Very low	39.5	Very low	144 Å²	144	108.9 Å²	108.9	74%	0.738	58%	0.581	S	S	*	*			trans	69.3	93.6	-177.6	-56.4	154	0	0	0	114.8	F842	I840-F842 HydrophobicContact CG2-CB 4.29Å; I840-F842 HydrophobicContact CG2-CD2 4.46Å
841	E	28	Very low	41.1	Very low	193 Å²	193	107.8 Å²	107.8	90%	0.902	57%	0.568	S	S	*	*			trans	-88.3	117.7	156	-65.2	-176.1	141.2	0	0	109.2
842	F	36.1	Very low	42.7	Very low	171 Å²	171	104 Å²	104	75%	0.75	55%	0.545	S	S	*	.			trans	-147.5	104.2	171.6	-115.6	-86.9	0	0	0	113.2	I840	I840-F842 HydrophobicContact CG2-CB 4.29Å; I840-F842 HydrophobicContact CG2-CD2 4.46Å
843	S	33.1	Very low	44.4	Very low	91 Å²	91	99.4 Å²	99.4	64%	0.636	51%	0.514	S	S	*	.			trans	26.9	99.8	153.2	-158.1	0	0	0	0	119.4
844	Y	35.2	Very low	46.4	Very low	185 Å²	185	88.7 Å²	88.7	73%	0.725	48%	0.478	S	S	*	.			trans	-117.4	120.5	162.9	-64.7	-85.5	0	0	0	109.9
845	F	40.4	Very low	48.4	Very low	58 Å²	58	85.2 Å²	85.2	25%	0.254	45%	0.448	S	S	.	.			trans	-152.6	171.9	-172.9	-84.8	-68.6	0	0	0	113.8	M273 T277 W848 M922	M273-F845 HydrophobicContact CE-CB 3.87Å; T277-F845 WeakPolarHBondContact CG2-O 3.4Å; F845-W848 AromaticContact CD1-CH2 3.69Å; F845-W848 HydrophobicContact CD1-CH2 3.69Å; F845-W848 AromaticContact CD1-CZ2 3.89Å; F845-W848 HydrophobicContact CD1-CZ2 3.89Å; F845-W848 AromaticContact CE1-CH2 3.6Å; F845-W848 HydrophobicContact CE1-CH2 3.6Å; F845-W848 AromaticContact CE1-CZ2 3.89Å; F845-W848 HydrophobicContact CE1-CZ2 3.89Å; F845-M922 HydrophobicContact CB-SD 3.76Å; F845-M922 HydrophobicContact CD1-CB 4.15Å; F845-M922 HydrophobicContact CD1-CE 3.9Å; F845-M922 HydrophobicContact CD1-CG 4.1Å; F845-M922 HydrophobicContact CD1-SD 3.25Å; F845-M922 WeakPolarHBondContact CD1-SD 3.38Å; F845-M922 HydrophobicContact CD2-CE 3.9Å; F845-M922 HydrophobicContact CD2-SD 3.96Å; F845-M922 HydrophobicContact CE1-CB 3.87Å; F845-M922 HydrophobicContact CE1-CE 3.74Å; F845-M922 HydrophobicContact CE1-CG 4.26Å; F845-M922 HydrophobicContact CE1-SD 3.67Å; F845-M922 HydrophobicContact CE2-CE 3.77Å; F845-M922 HydrophobicContact CE2-SD 4.33Å; F845-M922 HydrophobicContact CG-CE 3.96Å; F845-M922 HydrophobicContact CG-SD 3.4Å; F845-M922 WeakPolarHBondContact CG-SD 3.41Å; F845-M922 HydrophobicContact CZ-CE 3.68Å; F845-M922 HydrophobicContact CZ-SD 4.19Å
846	Q	44.3	Very low	50.4	Low	2 Å²	2	80.8 Å²	80.8	1%	0.009	43%	0.431	C	S	.	.	S	Bend	trans	93.1	20.1	-176.9	-55.4	-165.6	-9.4	0	0	116.3	M273 T277 L323 I824	M273-Q846 HydrophobicContact CE-CG 3.95Å; M273-Q846 HydrophobicContact SD-CG 4.39Å; M273-Q846 PolarHBondContact SD-NE2 2.78Å; T277-Q846 HydrophobicContact CG2-CB 3.86Å; T277-Q846 HydrophobicContact CG2-CG 3.79Å; T277-Q846 PolarHBondContact OG1-OE1 2.96Å; L323-Q846 HydrophobicContact CD1-CG 4.48Å; I824-Q846 HydrophobicContact CD1-CB 4.24Å; I824-Q846 HydrophobicContact CD1-CG 3.72Å; I824-Q846 HydrophobicContact CG1-CB 4.17Å; I824-Q846 HydrophobicContact CG1-CG 4.13Å
847	L	56.1	Low	52.1	Low	11 Å²	11	75.2 Å²	75.2	6%	0.058	40%	0.397	C	S	.	.			trans	-148.1	95.7	-153.3	-55.9	168.3	0	0	0	110.4	Y320 I825 A827 S828 W855	Y320-L847 WeakPolarHBondContact OH-CD2 3.18Å; I825-L847 CarbonylContact O-C 3.15Å; I825-L847 VanDerWaalsContact O-CA 3.24Å; I825-L847 WeakPolarHBondContact O-CA 3.46Å; A827-L847 VanDerWaalsContact C-C 3.43Å; A827-L847 CarbonylContact C-O 3.48Å; A827-L847 HydrophobicContact CB-CB 4.16Å; A827-L847 HydrophobicContact CB-CD2 4.08Å; A827-L847 WeakPolarHBondContact O-CB 3.07Å; S828-L847 VanDerWaalsContact CA-O 3.23Å; S828-L847 WeakPolarHBondContact CA-O 3.3Å; S828-L847 WeakPolarHBondContact CB-O 3.43Å; S828-L847 PolarHBondContact N-O 3.38Å; L847-W855 HydrophobicContact CD2-CZ3 4.35Å
848	W	59.2	Low	53.8	Low	27 Å²	27	73.1 Å²	73.1	10%	0.102	37%	0.374	C	S	.	.	S	Bend	trans	-89.1	-82	162.8	42.9	59.7	0	0	0	116.7	I824 I825 A827 S828 F845 M922 S925 V926 F929	I824-W848 HydrophobicContact CG2-CZ2 4.36Å; I824-W848 PolarHBondContact O-NE1 3Å; I825-W848 PolarHBondContact O-N 2.83Å; A827-W848 CarbonylContact C-O 2.51Å; S828-W848 PolarHBondContact N-O 3.13Å; S828-W848 WeakPolarHBondContact O-CB 3.38Å; S828-W848 VanDerWaalsContact O-O 3.09Å; F845-W848 AromaticContact CD1-CH2 3.69Å; F845-W848 HydrophobicContact CD1-CH2 3.69Å; F845-W848 AromaticContact CD1-CZ2 3.89Å; F845-W848 HydrophobicContact CD1-CZ2 3.89Å; F845-W848 AromaticContact CE1-CH2 3.6Å; F845-W848 HydrophobicContact CE1-CH2 3.6Å; F845-W848 AromaticContact CE1-CZ2 3.89Å; F845-W848 HydrophobicContact CE1-CZ2 3.89Å; W848-M922 HydrophobicContact CZ2-CB 4.46Å; W848-S925 PolarHBondContact NE1-OG 3.34Å; W848-V926 HydrophobicContact CD2-CG2 3.82Å; W848-V926 HydrophobicContact CE3-CG2 4.19Å; W848-V926 HydrophobicContact CH2-CG2 3.72Å; W848-V926 HydrophobicContact CZ2-CG2 3.23Å; W848-V926 HydrophobicContact CZ3-CG2 4.16Å; W848-F929 HydrophobicContact CB-CD1 4.19Å
849	F	64.4	Low	55.6	Low	16 Å²	16	68 Å²	68	7%	0.07	34%	0.341	C	S	.	.	S	Bend	trans	-68.3	-66.4	-171	169.3	-121	0	0	0	117.7	I825 E826 A827 L851 V852 S853 L860 F929	I825-F849 HydrophobicContact CG2-CB 3.56Å; E826-F849 HydrophobicContact CG-CB 4.34Å; E826-F849 HydrophobicContact CG-CD1 4.32Å; A827-F849 VanDerWaalsContact N-N 3.15Å; F849-L851 PolarHBondContact O-N 2.8Å; F849-V852 HydrophobicContact CD2-CB 3.94Å; F849-V852 HydrophobicContact CD2-CG1 4.33Å; F849-V852 HydrophobicContact CE2-CB 4.08Å; F849-V852 HydrophobicContact CE2-CG1 4.09Å; F849-V852 WeakPolarHBondContact O-CB 3.33Å; F849-V852 VanDerWaalsContact O-CG2 3.22Å; F849-V852 WeakPolarHBondContact O-CG2 3.48Å; F849-V852 PolarHBondContact O-N 3.13Å; F849-S853 VanDerWaalsContact CE1-OG 3.27Å; F849-S853 WeakPolarHBondContact CE1-OG 3.49Å; F849-L860 HydrophobicContact CB-CD1 3.82Å; F849-L860 HydrophobicContact CD1-CD1 3.32Å; F849-L860 HydrophobicContact CD2-CD1 3.62Å; F849-L860 HydrophobicContact CE1-CD1 3.57Å; F849-L860 HydrophobicContact CE2-CD1 3.86Å; F849-L860 HydrophobicContact CG-CD1 3.32Å; F849-L860 HydrophobicContact CZ-CD1 3.82Å; F849-F929 HydrophobicContact CB-CD2 4.18Å; F849-F929 HydrophobicContact CB-CE2 3.51Å; F849-F929 HydrophobicContact CB-CZ 3.78Å; F849-F929 AromaticContact CD2-CE2 3.83Å; F849-F929 HydrophobicContact CD2-CE2 3.83Å; F849-F929 AromaticContact CD2-CZ 3.82Å; F849-F929 HydrophobicContact CD2-CZ 3.82Å; F849-F929 HydrophobicContact CG-CE2 4.09Å; F849-F929 HydrophobicContact CG-CZ 4.3Å
850	A	65.4	Low	57.1	Low	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-0.2	-148.2	0	0	0	0	0	118.5	E826 A827 V852 S853 A854 W855	E826-A850 HydrophobicContact CB-CB 4.24Å; A827-A850 VanDerWaalsContact CA-N 3.25Å; A827-A850 HydrophobicContact CB-CB 3.99Å; A827-A850 VanDerWaalsContact N-N 3.15Å; A850-V852 PolarHBondContact O-N 3.34Å; A850-S853 VanDerWaalsContact CA-OG 3.23Å; A850-S853 WeakPolarHBondContact CA-OG 3.09Å; A850-S853 WeakPolarHBondContact CB-OG 3.29Å; A850-S853 CarbonylContact O-C 3.45Å; A850-S853 VanDerWaalsContact O-C 3.31Å; A850-S853 PolarHBondContact O-N 2.91Å; A850-S853 VanDerWaalsContact O-N 3.13Å; A850-A854 PolarHBondContact O-N 3.49Å; A850-A854 VanDerWaalsContact O-N 3.11Å; A850-W855 PolarHBondContact O-N 3.27Å
851	L	66.7	Low	58.6	Low	78 Å²	78	54 Å²	54	41%	0.408	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36	152.8	-93.6	179.9	0	0	0	110.6	A827 S828 F849 W855	A827-L851 HydrophobicContact CB-CB 4.42Å; A827-L851 HydrophobicContact CB-CG 4.27Å; A827-L851 WeakPolarHBondContact O-CG 3.48Å; S828-L851 VanDerWaalsContact CA-CD1 3.42Å; F849-L851 PolarHBondContact O-N 2.8Å; L851-W855 HydrophobicContact CD2-CZ2 3.49Å; L851-W855 VanDerWaalsContact CD2-CZ2 3.49Å; L851-W855 HydrophobicContact CG-CZ2 3.93Å
852	V	66.4	Low	60.7	Low	60 Å²	60	45 Å²	45	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-29.2	177.7	-177.2	0	0	0	0	111.7	F849 A850	F849-V852 HydrophobicContact CD2-CB 3.94Å; F849-V852 HydrophobicContact CD2-CG1 4.33Å; F849-V852 HydrophobicContact CE2-CB 4.08Å; F849-V852 HydrophobicContact CE2-CG1 4.09Å; F849-V852 WeakPolarHBondContact O-CB 3.33Å; F849-V852 VanDerWaalsContact O-CG2 3.22Å; F849-V852 WeakPolarHBondContact O-CG2 3.48Å; F849-V852 PolarHBondContact O-N 3.13Å; A850-V852 PolarHBondContact O-N 3.34Å
853	S	66.5	Low	62.4	Low	20 Å²	20	42.3 Å²	42.3	14%	0.14	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	29.6	174.4	64	0	0	0	0	113.3	F849 A850 W855 T856	F849-S853 VanDerWaalsContact CE1-OG 3.27Å; F849-S853 WeakPolarHBondContact CE1-OG 3.49Å; A850-S853 VanDerWaalsContact CA-OG 3.23Å; A850-S853 WeakPolarHBondContact CA-OG 3.09Å; A850-S853 WeakPolarHBondContact CB-OG 3.29Å; A850-S853 CarbonylContact O-C 3.45Å; A850-S853 VanDerWaalsContact O-C 3.31Å; A850-S853 PolarHBondContact O-N 2.91Å; A850-S853 VanDerWaalsContact O-N 3.13Å; S853-W855 PolarHBondContact O-N 2.86Å; S853-W855 VanDerWaalsContact O-N 3.12Å; S853-T856 WeakPolarHBondContact O-CB 3.45Å; S853-T856 VanDerWaalsContact O-CG2 3.25Å; S853-T856 WeakPolarHBondContact O-CG2 3.13Å; S853-T856 PolarHBondContact O-N 3.02Å; S853-T856 PolarHBondContact O-OG1 2.83Å
854	A	71.8	Confident	64.3	Low	21 Å²	21	42.5 Å²	42.5	17%	0.174	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	29.6	170.9	0	0	0	0	0	115.4	W288 A850 T856	W288-A854 HydrophobicContact CD2-CB 3.76Å; W288-A854 VanDerWaalsContact CE2-CB 3.44Å; W288-A854 HydrophobicContact CE3-CB 4.08Å; W288-A854 HydrophobicContact CG-CB 4.41Å; W288-A854 HydrophobicContact CH2-CB 3.91Å; W288-A854 HydrophobicContact CZ2-CB 3.55Å; W288-A854 HydrophobicContact CZ3-CB 4.15Å; A850-A854 PolarHBondContact O-N 3.49Å; A850-A854 VanDerWaalsContact O-N 3.11Å; A854-T856 HydrophobicContact CB-CG2 4.32Å; A854-T856 PolarHBondContact O-N 3.42Å
855	W	75.4	Confident	66	Low	34 Å²	34	33.7 Å²	33.7	13%	0.129	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.3	-178	-52.9	91.8	0	0	0	114	A284 A285 F316 A827 L847 A850 L851 S853 G857	A284-W855 HydrophobicContact CB-CD2 3.51Å; A284-W855 VanDerWaalsContact CB-CE2 3.4Å; A284-W855 HydrophobicContact CB-CE3 3.81Å; A284-W855 HydrophobicContact CB-CG 4.02Å; A284-W855 HydrophobicContact CB-CH2 3.92Å; A284-W855 HydrophobicContact CB-CZ2 3.62Å; A284-W855 HydrophobicContact CB-CZ3 4Å; A285-W855 HydrophobicContact CB-CB 3.83Å; A285-W855 WeakPolarHBondContact CB-O 3.38Å; F316-W855 HydrophobicContact CZ-CB 4.33Å; F316-W855 WeakPolarHBondContact CZ-O 3.2Å; A827-W855 HydrophobicContact CB-CD2 4.42Å; A827-W855 HydrophobicContact CB-CE3 3.91Å; A827-W855 HydrophobicContact CB-CH2 3.72Å; A827-W855 HydrophobicContact CB-CZ2 4.23Å; A827-W855 HydrophobicContact CB-CZ3 3.54Å; L847-W855 HydrophobicContact CD2-CZ3 4.35Å; A850-W855 PolarHBondContact O-N 3.27Å; L851-W855 HydrophobicContact CD2-CZ2 3.49Å; L851-W855 VanDerWaalsContact CD2-CZ2 3.49Å; L851-W855 HydrophobicContact CG-CZ2 3.93Å; S853-W855 PolarHBondContact O-N 2.86Å; S853-W855 VanDerWaalsContact O-N 3.12Å; W855-G857 VanDerWaalsContact C-N 3.3Å; W855-G857 PolarHBondContact O-N 3.14Å
856	T	73.7	Confident	67.5	Low	72 Å²	72	31.3 Å²	31.3	44%	0.442	15%	0.154	S	C	.	.			trans	-76.6	-6.6	-176.9	49.2	0	0	0	0	115.4	S853 A854 Q858	S853-T856 WeakPolarHBondContact O-CB 3.45Å; S853-T856 VanDerWaalsContact O-CG2 3.25Å; S853-T856 WeakPolarHBondContact O-CG2 3.13Å; S853-T856 PolarHBondContact O-N 3.02Å; S853-T856 PolarHBondContact O-OG1 2.83Å; A854-T856 HydrophobicContact CB-CG2 4.32Å; A854-T856 PolarHBondContact O-N 3.42Å; T856-Q858 PolarHBondContact O-N 3.41Å; T856-Q858 WeakPolarHBondContact OG1-CB 3.34Å
857	G	71.3	Confident	68.7	Low	3 Å²	3	32.3 Å²	32.3	3%	0.031	16%	0.164	C	C	.	.			trans	70.6	5.3	-170.5	0	0	0	0	0	114.6	W855 T859	W855-G857 VanDerWaalsContact C-N 3.3Å; W855-G857 PolarHBondContact O-N 3.14Å; G857-T859 PolarHBondContact O-N 2.87Å
858	Q	73.3	Confident	69.7	Low	75 Å²	75	33.9 Å²	33.9	35%	0.35	17%	0.172	S	C	.	.			trans	-59.4	121.4	174.9	175.4	59.8	51.5	0	0	110.9	T856 L966 Y967	T856-Q858 PolarHBondContact O-N 3.41Å; T856-Q858 WeakPolarHBondContact OG1-CB 3.34Å; Q858-L966 HydrophobicContact CG-CD2 4.32Å; Q858-Y967 PolarHBondContact NE2-OH 2.85Å
859	T	70.6	Confident	70.6	Confident	10 Å²	10	32.6 Å²	32.6	6%	0.061	17%	0.168	C	C	.	.			trans	-65.6	139.5	173.5	59.7	0	0	0	0	110.5	P64 T65 L319 E826 G857 F861 I866	P64-T859 HydrophobicContact CB-CG2 4.23Å; T65-T859 HydrophobicContact CG2-CG2 4.2Å; L319-T859 HydrophobicContact CD1-CG2 3.64Å; E826-T859 WeakPolarHBondContact OE1-CA 3.25Å; G857-T859 PolarHBondContact O-N 2.87Å; T859-F861 WeakPolarHBondContact CB-O 3.26Å; T859-F861 PolarHBondContact O-N 2.75Å; T859-F861 PolarHBondContact OG1-O 3.45Å; T859-I866 HydrophobicContact CG2-CD1 4.26Å
860	L	65.5	Low	71.2	Confident	2 Å²	2	32 Å²	32	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	-60.8	-27.4	160.4	-146.5	80.8	0	0	0	111.3	I825 E826 F849 F929 G970 F994	I825-L860 HydrophobicContact CD1-CD2 4.29Å; I825-L860 HydrophobicContact CG2-CD2 3.9Å; E826-L860 PolarHBondContact OE1-N 3.14Å; F849-L860 HydrophobicContact CB-CD1 3.82Å; F849-L860 HydrophobicContact CD1-CD1 3.32Å; F849-L860 HydrophobicContact CD2-CD1 3.62Å; F849-L860 HydrophobicContact CE1-CD1 3.57Å; F849-L860 HydrophobicContact CE2-CD1 3.86Å; F849-L860 HydrophobicContact CG-CD1 3.32Å; F849-L860 HydrophobicContact CZ-CD1 3.82Å; L860-F929 HydrophobicContact CD1-CE2 4.47Å; L860-G970 CarbonylContact O-C 3.59Å; L860-G970 WeakPolarHBondContact O-CA 3.21Å; L860-F994 HydrophobicContact CD1-CD2 3.52Å; L860-F994 HydrophobicContact CD1-CE2 3.96Å; L860-F994 HydrophobicContact CD1-CG 4.5Å; L860-F994 HydrophobicContact CD2-CB 3.59Å; L860-F994 HydrophobicContact CD2-CD2 3.58Å; L860-F994 HydrophobicContact CD2-CE2 4.34Å; L860-F994 HydrophobicContact CD2-CG 3.79Å; L860-F994 HydrophobicContact CG-CB 3.88Å; L860-F994 HydrophobicContact CG-CD2 3.64Å; L860-F994 HydrophobicContact CG-CE2 4.5Å; L860-F994 HydrophobicContact CG-CG 4.18Å
861	F	68.2	Low	71.8	Confident	5 Å²	5	36 Å²	36	2%	0.022	19%	0.189	C	C	.	.	S	Bend	trans	-121.8	140.3	-152.4	-72.8	-36	0	0	0	112.3	L822 I825 T859 I866 G970 F995	L822-F861 HydrophobicContact CD1-CE2 3.96Å; L822-F861 HydrophobicContact CD1-CZ 4.03Å; L822-F861 HydrophobicContact CG-CE2 4Å; I825-F861 HydrophobicContact CD1-CE2 4Å; I825-F861 HydrophobicContact CD1-CZ 3.69Å; T859-F861 WeakPolarHBondContact CB-O 3.26Å; T859-F861 PolarHBondContact O-N 2.75Å; T859-F861 PolarHBondContact OG1-O 3.45Å; F861-I866 HydrophobicContact CB-CD1 3.74Å; F861-I866 HydrophobicContact CB-CG1 3.54Å; F861-I866 HydrophobicContact CG-CG1 4.45Å; F861-G970 VanDerWaalsContact CD1-O 3.24Å; F861-G970 WeakPolarHBondContact CD1-O 3.36Å; F861-F995 HydrophobicContact CB-CD2 4.3Å; F861-F995 HydrophobicContact CB-CE1 4.1Å; F861-F995 HydrophobicContact CB-CE2 3.38Å; F861-F995 HydrophobicContact CB-CZ 3.3Å; F861-F995 AromaticContact CD1-CD1 3.31Å; F861-F995 HydrophobicContact CD1-CD1 3.31Å; F861-F995 AromaticContact CD1-CD2 3.56Å; F861-F995 HydrophobicContact CD1-CD2 3.56Å; F861-F995 AromaticContact CD1-CE1 3.13Å; F861-F995 HydrophobicContact CD1-CE1 3.13Å; F861-F995 AromaticContact CD1-CE2 3.39Å; F861-F995 HydrophobicContact CD1-CE2 3.39Å; F861-F995 AromaticContact CD1-CG 3.54Å; F861-F995 HydrophobicContact CD1-CG 3.54Å; F861-F995 AromaticContact CD1-CZ 3.23Å; F861-F995 HydrophobicContact CD1-CZ 3.23Å; F861-F995 AromaticContact CD2-CE1 3.79Å; F861-F995 HydrophobicContact CD2-CE1 3.79Å; F861-F995 AromaticContact CD2-CZ 3.8Å; F861-F995 HydrophobicContact CD2-CZ 3.8Å; F861-F995 AromaticContact CE1-CD1 3.16Å; F861-F995 HydrophobicContact CE1-CD1 3.16Å; F861-F995 HydrophobicContact CE1-CD2 4.22Å; F861-F995 AromaticContact CE1-CE1 3.25Å; F861-F995 HydrophobicContact CE1-CE1 3.25Å; F861-F995 HydrophobicContact CE1-CE2 4.29Å; F861-F995 AromaticContact CE1-CG 3.7Å; F861-F995 HydrophobicContact CE1-CG 3.7Å; F861-F995 AromaticContact CE1-CZ 3.89Å; F861-F995 HydrophobicContact CE1-CZ 3.89Å; F861-F995 AromaticContact CE2-CE1 3.89Å; F861-F995 HydrophobicContact CE2-CE1 3.89Å; F861-F995 HydrophobicContact CE2-CZ 4.38Å; F861-F995 HydrophobicContact CG-CD1 4.09Å; F861-F995 HydrophobicContact CG-CD2 4.22Å; F861-F995 AromaticContact CG-CE1 3.41Å; F861-F995 HydrophobicContact CG-CE1 3.41Å; F861-F995 VanDerWaalsContact CG-CE1 3.41Å; F861-F995 AromaticContact CG-CE2 3.57Å; F861-F995 HydrophobicContact CG-CE2 3.57Å; F861-F995 HydrophobicContact CG-CG 4.47Å; F861-F995 AromaticContact CG-CZ 3.16Å; F861-F995 HydrophobicContact CG-CZ 3.16Å; F861-F995 AromaticContact CZ-CD1 3.84Å; F861-F995 HydrophobicContact CZ-CD1 3.84Å; F861-F995 AromaticContact CZ-CE1 3.64Å; F861-F995 HydrophobicContact CZ-CE1 3.64Å; F861-F995 HydrophobicContact CZ-CZ 4.41Å
862	E	72.2	Confident	72.4	Confident	4 Å²	4	36 Å²	36	2%	0.019	19%	0.189	C	C	.	.			trans	-66.4	142.5	173.1	-169.6	-71.4	126.4	0	0	111	W864 C865 I866 Y1035 M1048	E862-W864 VanDerWaalsContact CD-N 3.28Å; E862-W864 PolarHBondContact O-N 2.88Å; E862-W864 PolarHBondContact OE1-N 3.02Å; E862-W864 WeakPolarHBondContact OE2-CA 3.34Å; E862-W864 WeakPolarHBondContact OE2-CB 3.38Å; E862-W864 PolarHBondContact OE2-N 3.35Å; E862-C865 HydrophobicContact CB-CB 4.3Å; E862-C865 PolarHBondContact O-N 2.98Å; E862-C865 PolarHBondContact OE2-N 3.12Å; E862-C865 PolarHBondContact OE2-SG 3.46Å; E862-I866 WeakPolarHBondContact O-CG1 3.33Å; E862-I866 PolarHBondContact O-N 3.38Å; E862-Y1035 PolarHBondContact OE1-OH 3.23Å; E862-M1048 HydrophobicContact CB-SD 4.15Å; E862-M1048 HydrophobicContact CG-CG 3.92Å; E862-M1048 HydrophobicContact CG-SD 3.95Å
863	R	71.1	Confident	73.2	Confident	114 Å²	114	33.1 Å²	33.1	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-56.1	-49.6	-167.2	-49.9	170.7	-144.5	-159.9	2.9	113	T65 G867 E1047	T65-R863 WeakPolarHBondContact O-CB 3.44Å; T65-R863 VanDerWaalsContact O-CG 3.32Å; T65-R863 WeakPolarHBondContact O-CG 3.33Å; R863-G867 PolarHBondContact O-N 2.88Å; R863-E1047 IonicContact NH2-OE2 3.07Å; R863-E1047 PolarHBondContact NH2-OE2 2.98Å; R863-E1047 VanDerWaalsContact NH2-OE2 3.07Å
864	W	72.2	Confident	74.1	Confident	94 Å²	94	32.1 Å²	32.1	36%	0.356	17%	0.165	S	C	.	.	H	α-helix	trans	-75.8	-34.5	179	-66.9	102.9	0	0	0	112.4	E862 I866 G867 L868 L1044	E862-W864 VanDerWaalsContact CD-N 3.28Å; E862-W864 PolarHBondContact O-N 2.88Å; E862-W864 PolarHBondContact OE1-N 3.02Å; E862-W864 WeakPolarHBondContact OE2-CA 3.34Å; E862-W864 WeakPolarHBondContact OE2-CB 3.38Å; E862-W864 PolarHBondContact OE2-N 3.35Å; W864-I866 VanDerWaalsContact C-N 3.28Å; W864-I866 PolarHBondContact O-N 3.49Å; W864-G867 PolarHBondContact O-N 3.34Å; W864-L868 WeakPolarHBondContact O-CB 3.45Å; W864-L868 WeakPolarHBondContact O-CG 3.18Å; W864-L868 PolarHBondContact O-N 2.92Å; W864-L1044 VanDerWaalsContact CD1-O 3.26Å; W864-L1044 HydrophobicContact CZ2-CD2 4.38Å; W864-L1044 PolarHBondContact NE1-O 3.28Å
865	C	72	Confident	74.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-29.4	175.8	-64.1	0	0	0	0	112.9	E862 Y974 F995 W1028	E862-C865 HydrophobicContact CB-CB 4.3Å; E862-C865 PolarHBondContact O-N 2.98Å; E862-C865 PolarHBondContact OE2-N 3.12Å; E862-C865 PolarHBondContact OE2-SG 3.46Å; C865-Y974 HydrophobicContact CB-CE1 4.37Å; C865-Y974 PolarHBondContact O-OH 3.46Å; C865-F995 HydrophobicContact CB-CD2 3.71Å; C865-F995 HydrophobicContact CB-CE2 3.22Å; C865-F995 HydrophobicContact CB-CZ 3.88Å; C865-W1028 HydrophobicContact CB-CH2 4.48Å
866	I	70.8	Confident	75.4	Confident	9 Å²	9	32.2 Å²	32.2	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-57.3	165.6	-62.6	167.8	0	0	0	110	T65 Y823 T859 F861 E862 W864 L868 Y869 F995	T65-I866 HydrophobicContact CG2-CD1 4.01Å; Y823-I866 HydrophobicContact CE1-CG2 3.93Å; Y823-I866 WeakPolarHBondContact OH-CG2 3.4Å; T859-I866 HydrophobicContact CG2-CD1 4.26Å; F861-I866 HydrophobicContact CB-CD1 3.74Å; F861-I866 HydrophobicContact CB-CG1 3.54Å; F861-I866 HydrophobicContact CG-CG1 4.45Å; E862-I866 WeakPolarHBondContact O-CG1 3.33Å; E862-I866 PolarHBondContact O-N 3.38Å; W864-I866 VanDerWaalsContact C-N 3.28Å; W864-I866 PolarHBondContact O-N 3.49Å; I866-L868 VanDerWaalsContact C-N 3.32Å; I866-L868 PolarHBondContact O-N 3.33Å; I866-Y869 WeakPolarHBondContact O-CB 3.26Å; I866-Y869 PolarHBondContact O-N 3.43Å; I866-Y869 VanDerWaalsContact O-N 3.14Å; I866-F995 HydrophobicContact CG1-CZ 4.14Å
867	G	70	Confident	76.2	Confident	22 Å²	22	28.9 Å²	28.9	23%	0.227	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-39.4	-174.2	0	0	0	0	0	113.9	R863 W864	R863-G867 PolarHBondContact O-N 2.88Å; W864-G867 PolarHBondContact O-N 3.34Å
868	L	77	Confident	77.2	Confident	44 Å²	44	28.8 Å²	28.8	23%	0.23	15%	0.151	C	C	.	.	H	α-helix	trans	-79.4	-13	-179.1	-67.1	171.7	0	0	0	113.8	W864 I866 N870 V871 L872 F873 F1031	W864-L868 WeakPolarHBondContact O-CB 3.45Å; W864-L868 WeakPolarHBondContact O-CG 3.18Å; W864-L868 PolarHBondContact O-N 2.92Å; I866-L868 VanDerWaalsContact C-N 3.32Å; I866-L868 PolarHBondContact O-N 3.33Å; L868-N870 VanDerWaalsContact C-N 3.32Å; L868-N870 PolarHBondContact O-N 2.99Å; L868-V871 PolarHBondContact O-N 3.35Å; L868-L872 HydrophobicContact CB-CB 4.46Å; L868-L872 PolarHBondContact O-N 3.48Å; L868-F873 HydrophobicContact CB-CD2 4.25Å; L868-F873 HydrophobicContact CB-CE2 3.41Å; L868-F873 VanDerWaalsContact CB-CE2 3.41Å; L868-F873 HydrophobicContact CB-CZ 3.75Å; L868-F873 HydrophobicContact CD1-CZ 4.33Å; L868-F873 WeakPolarHBondContact O-CD2 3.47Å; L868-F873 PolarHBondContact O-N 3.36Å; L868-F1031 HydrophobicContact CD1-CD2 4.08Å; L868-F1031 HydrophobicContact CD1-CE1 4.43Å; L868-F1031 HydrophobicContact CD1-CE2 3.33Å; L868-F1031 HydrophobicContact CD1-CZ 3.55Å
869	Y	77.6	Confident	78.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-53.4	-49.2	174.6	-177.5	-113	0	0	0	112.7	K818 L822 I866 T874 Y974 V999	K818-Y869 WeakPolarHBondContact O-CE1 3.47Å; K818-Y869 PolarHBondContact O-OH 3.11Å; L822-Y869 HydrophobicContact CB-CE1 4Å; L822-Y869 HydrophobicContact CD1-CE2 4.25Å; L822-Y869 HydrophobicContact CD2-CD1 3.59Å; L822-Y869 HydrophobicContact CD2-CD2 4.09Å; L822-Y869 HydrophobicContact CD2-CE1 3.83Å; L822-Y869 HydrophobicContact CD2-CE2 4.3Å; L822-Y869 HydrophobicContact CD2-CG 3.71Å; L822-Y869 HydrophobicContact CG-CE1 4.41Å; I866-Y869 WeakPolarHBondContact O-CB 3.26Å; I866-Y869 PolarHBondContact O-N 3.43Å; I866-Y869 VanDerWaalsContact O-N 3.14Å; Y869-T874 HydrophobicContact CD2-CG2 3.88Å; Y869-T874 HydrophobicContact CE1-CG2 4.39Å; Y869-T874 HydrophobicContact CE2-CG2 3.39Å; Y869-T874 PolarHBondContact O-N 3.36Å; Y869-T874 PolarHBondContact O-OG1 3.3Å; Y869-Y974 VanDerWaalsContact CB-OH 3.32Å; Y869-Y974 WeakPolarHBondContact CB-OH 3.37Å; Y869-Y974 AromaticContact CD2-CE2 3.59Å; Y869-Y974 HydrophobicContact CD2-CE2 3.59Å; Y869-Y974 AromaticContact CD2-CZ 3.65Å; Y869-Y974 VanDerWaalsContact CD2-OH 3.25Å; Y869-Y974 WeakPolarHBondContact CD2-OH 3.19Å; Y869-Y974 AromaticContact CE2-CE2 3.88Å; Y869-Y974 HydrophobicContact CE2-CE2 3.88Å; Y869-V999 HydrophobicContact CD2-CG2 4.01Å; Y869-V999 HydrophobicContact CE2-CG2 3.79Å
870	N	78.5	Confident	79.2	Confident	5 Å²	5	27.5 Å²	27.5	3%	0.027	15%	0.147	C	C	.	.	I	π-helix	trans	-84.8	-14.5	-173.7	-89.5	-39.1	0	0	0	114.1	S327 K818 N819 L868	S327-N870 WeakPolarHBondContact CB-O 3.47Å; S327-N870 PolarHBondContact OG-O 3.3Å; K818-N870 PolarHBondContact NZ-OD1 2.76Å; N819-N870 PolarHBondContact ND2-OD1 2.89Å; N819-N870 VanDerWaalsContact ND2-OD1 3.12Å; N819-N870 VanDerWaalsContact OD1-CG 3.28Å; N819-N870 PolarHBondContact OD1-ND2 2.9Å; N819-N870 PolarHBondContact OD1-OD1 2.94Å; L868-N870 VanDerWaalsContact C-N 3.32Å; L868-N870 PolarHBondContact O-N 2.99Å
871	V	77.2	Confident	80.5	Confident	84 Å²	84	27.6 Å²	27.6	51%	0.509	15%	0.147	S	C	.	.	I	π-helix	trans	-108	-37.3	-173	-178.9	0	0	0	0	112	L868 A875	L868-V871 PolarHBondContact O-N 3.35Å; V871-A875 WeakPolarHBondContact O-CB 3.38Å
872	L	79.9	Confident	81.7	Confident	77 Å²	77	27.3 Å²	27.3	40%	0.403	15%	0.146	S	C	.	.	I	π-helix	trans	-115.8	-59.2	-174.6	-174.8	55.7	0	0	0	111.8	L868 T874 F1031	L868-L872 HydrophobicContact CB-CB 4.46Å; L868-L872 PolarHBondContact O-N 3.48Å; L872-T874 PolarHBondContact O-N 3.11Å; L872-F1031 HydrophobicContact CD2-CD2 4.49Å
873	F	82	Confident	82.7	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-77	-28.2	-166.4	-46.1	-49.6	0	0	0	114.2	L868 Y974 V999 S1024 W1028 F1031	L868-F873 HydrophobicContact CB-CD2 4.25Å; L868-F873 HydrophobicContact CB-CE2 3.41Å; L868-F873 VanDerWaalsContact CB-CE2 3.41Å; L868-F873 HydrophobicContact CB-CZ 3.75Å; L868-F873 HydrophobicContact CD1-CZ 4.33Å; L868-F873 WeakPolarHBondContact O-CD2 3.47Å; L868-F873 PolarHBondContact O-N 3.36Å; F873-Y974 HydrophobicContact CD2-CE1 4.29Å; F873-V999 HydrophobicContact CB-CG2 4.13Å; F873-S1024 WeakPolarHBondContact O-CB 3.37Å; F873-S1024 PolarHBondContact O-OG 2.79Å; F873-W1028 HydrophobicContact CD1-CB 3.94Å; F873-W1028 AromaticContact CD1-CE3 3.94Å; F873-W1028 HydrophobicContact CD1-CE3 3.94Å; F873-W1028 AromaticContact CD2-CE3 3.63Å; F873-W1028 HydrophobicContact CD2-CE3 3.63Å; F873-W1028 HydrophobicContact CD2-CZ3 4.1Å; F873-W1028 HydrophobicContact CE1-CB 4.47Å; F873-W1028 AromaticContact CE1-CE3 3.73Å; F873-W1028 HydrophobicContact CE1-CE3 3.73Å; F873-W1028 HydrophobicContact CE1-CZ3 4.4Å; F873-W1028 AromaticContact CE2-CE3 3.41Å; F873-W1028 HydrophobicContact CE2-CE3 3.41Å; F873-W1028 VanDerWaalsContact CE2-CE3 3.41Å; F873-W1028 AromaticContact CE2-CZ3 3.52Å; F873-W1028 HydrophobicContact CE2-CZ3 3.52Å; F873-W1028 HydrophobicContact CG-CB 4.33Å; F873-W1028 AromaticContact CG-CE3 3.92Å; F873-W1028 HydrophobicContact CG-CE3 3.92Å; F873-W1028 AromaticContact CZ-CE3 3.49Å; F873-W1028 HydrophobicContact CZ-CE3 3.49Å; F873-W1028 VanDerWaalsContact CZ-CE3 3.49Å; F873-W1028 AromaticContact CZ-CZ3 3.72Å; F873-W1028 HydrophobicContact CZ-CZ3 3.72Å; F873-F1031 HydrophobicContact CE1-CB 3.61Å; F873-F1031 AromaticContact CE1-CD1 4Å; F873-F1031 HydrophobicContact CE1-CD1 4Å; F873-F1031 HydrophobicContact CE1-CD2 4.46Å; F873-F1031 AromaticContact CE1-CG 3.75Å; F873-F1031 HydrophobicContact CE1-CG 3.75Å; F873-F1031 HydrophobicContact CE2-CD1 4.3Å; F873-F1031 HydrophobicContact CZ-CB 3.91Å; F873-F1031 AromaticContact CZ-CD1 3.42Å; F873-F1031 HydrophobicContact CZ-CD1 3.42Å; F873-F1031 VanDerWaalsContact CZ-CD1 3.42Å; F873-F1031 HydrophobicContact CZ-CD2 4.05Å; F873-F1031 AromaticContact CZ-CE1 3.94Å; F873-F1031 HydrophobicContact CZ-CE1 3.94Å; F873-F1031 HydrophobicContact CZ-CE2 4.5Å; F873-F1031 AromaticContact CZ-CG 3.48Å; F873-F1031 HydrophobicContact CZ-CG 3.48Å; F873-F1031 VanDerWaalsContact CZ-CG 3.48Å; F873-F1031 HydrophobicContact CZ-CZ 4.45Å
874	T	84.8	Confident	83.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	20.9	-180	68.6	0	0	0	0	114.3	K818 Y869 L872 P878 V999 V1002	K818-T874 PolarHBondContact NZ-OG1 3.14Å; Y869-T874 HydrophobicContact CD2-CG2 3.88Å; Y869-T874 HydrophobicContact CE1-CG2 4.39Å; Y869-T874 HydrophobicContact CE2-CG2 3.39Å; Y869-T874 PolarHBondContact O-N 3.36Å; Y869-T874 PolarHBondContact O-OG1 3.3Å; L872-T874 PolarHBondContact O-N 3.11Å; T874-P878 WeakPolarHBondContact O-CD 3.47Å; T874-P878 WeakPolarHBondContact O-CG 3.31Å; T874-V999 HydrophobicContact CG2-CG2 4.26Å; T874-V1002 HydrophobicContact CG2-CG1 4.06Å
875	A	85.6	Confident	84.6	Confident	21 Å²	21	20.6 Å²	20.6	17%	0.174	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-33.8	176.6	0	0	0	0	0	113.4	V871 P878 L879	V871-A875 WeakPolarHBondContact O-CB 3.38Å; A875-P878 WeakPolarHBondContact O-CD 3.41Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å
876	A	90.3	Very high	85.2	Confident	35 Å²	35	26.7 Å²	26.7	29%	0.289	15%	0.146	S	C	.	.	H	α-helix	trans	-70	-40.8	-179.2	0	0	0	0	0	114.8	L879 A880 A1020	A876-L879 PolarHBondContact O-N 3.04Å; A876-A880 PolarHBondContact O-N 3.44Å; A876-A1020 HydrophobicContact CB-CB 3.97Å
877	P	90.8	Very high	85.7	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-42	-178.6	-21.7	33.3	0	0	0	114.7	Y814 L879 A880 I881 A1006 S1024	Y814-P877 HydrophobicContact CE1-CB 4.15Å; P877-L879 VanDerWaalsContact C-N 3.33Å; P877-L879 PolarHBondContact O-N 3.48Å; P877-A880 PolarHBondContact O-N 3.4Å; P877-I881 WeakPolarHBondContact O-CG1 3.42Å; P877-I881 PolarHBondContact O-N 3.35Å; P877-A1006 HydrophobicContact CB-CB 3.83Å; P877-S1024 WeakPolarHBondContact CD-OG 3.36Å
878	P	91.8	Very high	86.4	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-43	170.5	-23.9	32.4	0	0	0	113.3	T331 L811 Y814 K818 T874 A875 I881 G882	T331-P878 HydrophobicContact CG2-CB 3.74Å; L811-P878 WeakPolarHBondContact CD1-O 3.34Å; L811-P878 HydrophobicContact CG-CB 4.25Å; Y814-P878 HydrophobicContact CD1-CG 4Å; Y814-P878 HydrophobicContact CE1-CG 3.75Å; K818-P878 HydrophobicContact CD-CG 4.19Å; T874-P878 WeakPolarHBondContact O-CD 3.47Å; T874-P878 WeakPolarHBondContact O-CG 3.31Å; A875-P878 WeakPolarHBondContact O-CD 3.41Å; P878-I881 PolarHBondContact O-N 2.84Å; P878-G882 PolarHBondContact O-N 3.32Å
879	L	92.4	Very high	86.9	Confident	53 Å²	53	26.8 Å²	26.8	28%	0.277	15%	0.148	S	C	.	.	H	α-helix	trans	-64.2	-42.9	177.8	-65.7	172.3	0	0	0	111.3	T331 V334 V335 A875 A876 P877 G882 L883	T331-L879 HydrophobicContact CG2-CD2 3.84Å; T331-L879 HydrophobicContact CG2-CG 4.32Å; V334-L879 HydrophobicContact CB-CD2 4.39Å; V334-L879 HydrophobicContact CG1-CD2 3.99Å; V335-L879 HydrophobicContact CG2-CD2 3.77Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å; A876-L879 PolarHBondContact O-N 3.04Å; P877-L879 VanDerWaalsContact C-N 3.33Å; P877-L879 PolarHBondContact O-N 3.48Å; L879-G882 PolarHBondContact O-N 2.98Å; L879-L883 WeakPolarHBondContact O-CB 3.33Å; L879-L883 VanDerWaalsContact O-CG 3.28Å; L879-L883 WeakPolarHBondContact O-CG 3.28Å; L879-L883 PolarHBondContact O-N 3.1Å
880	A	93.1	Very high	87.5	Confident	5 Å²	5	27.8 Å²	27.8	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-41.9	178.6	0	0	0	0	0	112.8	A876 P877 G882 L883 F884 A1020	A876-A880 PolarHBondContact O-N 3.44Å; P877-A880 PolarHBondContact O-N 3.4Å; A880-G882 VanDerWaalsContact C-N 3.34Å; A880-L883 PolarHBondContact O-N 3.46Å; A880-F884 HydrophobicContact CB-CD2 4.41Å; A880-F884 PolarHBondContact O-N 3.01Å; A880-A1020 HydrophobicContact CB-CB 3.51Å
881	I	93.5	Very high	88	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-46	170.9	-67.1	164.3	0	0	0	110.1	R807 K810 Y814 P877 P878 L883 D885 A1006 L1010	R807-I881 WeakPolarHBondContact CG-O 3.29Å; K810-I881 HydrophobicContact CB-CG2 3.62Å; K810-I881 HydrophobicContact CD-CG2 4.37Å; Y814-I881 HydrophobicContact CD1-CD1 4.01Å; Y814-I881 HydrophobicContact CE1-CD1 4.47Å; Y814-I881 HydrophobicContact CG-CD1 4.14Å; P877-I881 WeakPolarHBondContact O-CG1 3.42Å; P877-I881 PolarHBondContact O-N 3.35Å; P878-I881 PolarHBondContact O-N 2.84Å; I881-L883 VanDerWaalsContact C-N 3.27Å; I881-L883 PolarHBondContact O-N 3.26Å; I881-D885 WeakPolarHBondContact O-CB 3.24Å; I881-A1006 HydrophobicContact CD1-CB 4.14Å; I881-L1010 HydrophobicContact CB-CD2 4.48Å; I881-L1010 HydrophobicContact CG1-CD2 3.76Å; I881-L1010 HydrophobicContact CG1-CG 4.27Å
882	G	92.4	Very high	88.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-24.6	-178.6	0	0	0	0	0	115.6	V335 Q339 R807 P878 L879 A880	V335-G882 VanDerWaalsContact CG1-O 3.27Å; V335-G882 WeakPolarHBondContact CG1-O 3.25Å; Q339-G882 PolarHBondContact NE2-O 3.16Å; R807-G882 WeakPolarHBondContact CD-O 3.09Å; P878-G882 PolarHBondContact O-N 3.32Å; L879-G882 PolarHBondContact O-N 2.98Å; A880-G882 VanDerWaalsContact C-N 3.34Å
883	L	93.4	Very high	88.9	Confident	19 Å²	19	25.2 Å²	25.2	10%	0.099	15%	0.147	C	C	.	.	H	α-helix	trans	-114.2	-40.7	-171.5	-64	178.5	0	0	0	114.3	V335 V338 Q339 F342 L879 A880 I881	V335-L883 HydrophobicContact CB-CD2 4.43Å; V335-L883 HydrophobicContact CG1-CD2 4.19Å; V335-L883 HydrophobicContact CG2-CD2 4.31Å; V335-L883 HydrophobicContact CG2-CG 4.28Å; V338-L883 HydrophobicContact CB-CD1 4.41Å; V338-L883 HydrophobicContact CB-CD2 3.76Å; V338-L883 HydrophobicContact CG1-CD1 4.06Å; V338-L883 HydrophobicContact CG1-CD2 3.74Å; Q339-L883 HydrophobicContact CG-CD2 4.27Å; F342-L883 HydrophobicContact CE2-CB 4.21Å; F342-L883 HydrophobicContact CE2-CD2 4.12Å; L879-L883 WeakPolarHBondContact O-CB 3.33Å; L879-L883 VanDerWaalsContact O-CG 3.28Å; L879-L883 WeakPolarHBondContact O-CG 3.28Å; L879-L883 PolarHBondContact O-N 3.1Å; A880-L883 PolarHBondContact O-N 3.46Å; I881-L883 VanDerWaalsContact C-N 3.27Å; I881-L883 PolarHBondContact O-N 3.26Å
884	F	92.3	Very high	89.3	Confident	46 Å²	46	27.7 Å²	27.7	20%	0.202	16%	0.162	C	C	.	.	H	α-helix	trans	-114.5	-12.3	-163.6	-53.6	-57.7	0	0	0	114.8	F342 A880 T1014 L1016	F342-F884 HydrophobicContact CE2-CE1 4.3Å; F342-F884 AromaticContact CZ-CE1 3.92Å; F342-F884 HydrophobicContact CZ-CE1 3.92Å; A880-F884 HydrophobicContact CB-CD2 4.41Å; A880-F884 PolarHBondContact O-N 3.01Å; F884-T1014 HydrophobicContact CB-CG2 4.18Å; F884-L1016 HydrophobicContact CD1-CD1 4.11Å; F884-L1016 HydrophobicContact CD2-CB 3.77Å; F884-L1016 HydrophobicContact CD2-CD1 4.28Å; F884-L1016 HydrophobicContact CE1-CD1 3.69Å; F884-L1016 HydrophobicContact CE2-CB 3.85Å; F884-L1016 HydrophobicContact CE2-CD1 3.89Å; F884-L1016 HydrophobicContact CE2-CG 4.37Å; F884-L1016 HydrophobicContact CG-CB 4.3Å; F884-L1016 HydrophobicContact CG-CD1 4.41Å; F884-L1016 HydrophobicContact CZ-CB 4.44Å; F884-L1016 HydrophobicContact CZ-CD1 3.58Å
885	D	90.3	Very high	89.4	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.032	19%	0.187	C	C	.	.			trans	-67.7	149.5	178.2	-162.6	21.4	0	0	0	112.2	R807 K810 I881 L1010 D1011 A1012	R807-D885 HydrophobicContact CG-CB 4.47Å; R807-D885 VanDerWaalsContact CZ-O 3.29Å; R807-D885 PolarHBondContact NE-O 3.01Å; R807-D885 PolarHBondContact NH2-O 3.38Å; K810-D885 WeakPolarHBondContact CD-OD2 3.47Å; K810-D885 WeakPolarHBondContact CE-OD2 3.49Å; K810-D885 IonicContact NZ-OD2 2.69Å; K810-D885 PolarHBondContact NZ-OD2 2.94Å; I881-D885 WeakPolarHBondContact O-CB 3.24Å; D885-L1010 HydrophobicContact CB-CD2 3.89Å; D885-D1011 WeakPolarHBondContact OD1-CA 3.32Å; D885-D1011 PolarHBondContact OD1-N 3.11Å; D885-A1012 PolarHBondContact OD1-N 3.23Å
886	R	85.4	Confident	89.5	Confident	127 Å²	127	33.5 Å²	33.5	48%	0.479	18%	0.183	S	C	.	.			trans	-148.9	132.1	-177.5	-56	-180	-169.8	-169.8	-2.8	110	W803 D1011 A1012	W803-R886 HydrophobicContact CZ2-CG 4.25Å; R886-D1011 WeakPolarHBondContact O-CB 3.44Å; R886-A1012 HydrophobicContact CB-CB 3.94Å; R886-A1012 HydrophobicContact CG-CB 4.34Å
887	T	81.5	Confident	89.3	Confident	31 Å²	31	32.2 Å²	32.2	19%	0.19	17%	0.171	C	C	.	.	S	Bend	trans	-82.7	-43.3	176.6	44.6	0	0	0	0	112.4	H806	H806-T887 HydrophobicContact CB-CG2 4.45Å
888	A	83.7	Confident	89	Confident	10 Å²	10	33.4 Å²	33.4	8%	0.083	18%	0.179	C	C	.	.	S	Bend	trans	-145	166.4	173.8	0	0	0	0	0	109.7	W803 T892 M893 E1098	W803-A888 WeakPolarHBondContact CZ2-O 3.23Å; W803-A888 PolarHBondContact NE1-O 3.16Å; W803-A888 VanDerWaalsContact NE1-O 3.14Å; A888-T892 HydrophobicContact CB-CG2 4.27Å; A888-M893 HydrophobicContact CB-CG 4.43Å; A888-M893 HydrophobicContact CB-SD 4.15Å; A888-E1098 WeakPolarHBondContact CA-OE2 3.42Å
889	S	87.9	Confident	88.7	Confident	37 Å²	37	33.7 Å²	33.7	26%	0.259	18%	0.18	S	C	.	.			trans	-70.8	160	176.5	74.6	0	0	0	0	113.7	S891 T892 M893 E1098	S889-S891 PolarHBondContact O-N 3.04Å; S889-S891 PolarHBondContact OG-OG 2.84Å; S889-T892 PolarHBondContact O-N 2.67Å; S889-T892 PolarHBondContact OG-N 2.93Å; S889-T892 PolarHBondContact OG-OG1 3.4Å; S889-T892 VanDerWaalsContact OG-OG1 3.11Å; S889-M893 WeakPolarHBondContact O-CG 3.4Å; S889-M893 PolarHBondContact O-N 3.45Å; S889-E1098 WeakPolarHBondContact CB-OE1 3.38Å; S889-E1098 PolarHBondContact N-OE1 3.23Å; S889-E1098 VanDerWaalsContact N-OE1 3.13Å; S889-E1098 PolarHBondContact N-OE2 3.33Å; S889-E1098 PolarHBondContact OG-OE1 2.87Å
890	A	90	Very high	88.6	Confident	20 Å²	20	31.2 Å²	31.2	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-41.1	-179.7	0	0	0	0	0	112.5	V799 W803 M893 V894	V799-A890 HydrophobicContact CG1-CB 3.71Å; V799-A890 HydrophobicContact CG2-CB 3.94Å; W803-A890 HydrophobicContact CH2-CB 3.98Å; W803-A890 HydrophobicContact CZ2-CB 4.19Å; A890-M893 PolarHBondContact O-N 3.43Å; A890-V894 WeakPolarHBondContact O-CG2 3.35Å; A890-V894 PolarHBondContact O-N 3.24Å
891	S	88.8	Confident	88.2	Confident	85 Å²	85	35 Å²	35	59%	0.594	18%	0.183	S	C	*	.	H	α-helix	trans	-63.3	-40.5	175.8	42.9	0	0	0	0	112.1	S889 V894 K895	S889-S891 PolarHBondContact O-N 3.04Å; S889-S891 PolarHBondContact OG-OG 2.84Å; S891-V894 PolarHBondContact O-N 2.88Å; S891-K895 VanDerWaalsContact O-CB 3.23Å; S891-K895 WeakPolarHBondContact O-CB 3.4Å; S891-K895 PolarHBondContact O-N 2.96Å
892	T	88.2	Confident	87.7	Confident	20 Å²	20	37 Å²	37	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-41.8	175.2	-63	0	0	0	0	111.9	A888 S889 V894 K895 Y896 L899 V1094 E1098 P1104	A888-T892 HydrophobicContact CB-CG2 4.27Å; S889-T892 PolarHBondContact O-N 2.67Å; S889-T892 PolarHBondContact OG-N 2.93Å; S889-T892 PolarHBondContact OG-OG1 3.4Å; S889-T892 VanDerWaalsContact OG-OG1 3.11Å; T892-V894 PolarHBondContact O-N 3.46Å; T892-K895 PolarHBondContact O-N 2.69Å; T892-Y896 HydrophobicContact CG2-CD2 4.2Å; T892-Y896 WeakPolarHBondContact O-CB 3.17Å; T892-Y896 PolarHBondContact O-N 2.74Å; T892-L899 HydrophobicContact CG2-CD1 4.14Å; T892-V1094 HydrophobicContact CG2-CG1 4.15Å; T892-E1098 VanDerWaalsContact CB-OE1 3.25Å; T892-E1098 WeakPolarHBondContact CB-OE1 3.43Å; T892-E1098 PolarHBondContact OG1-OE1 2.92Å; T892-P1104 HydrophobicContact CG2-CG 4.39Å
893	M	88.7	Confident	87.3	Confident	8 Å²	8	37 Å²	37	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-37.6	176.1	-68.3	-59.6	-62.5	0	0	112.9	F798 V799 A802 A888 S889 A890 Y896 L899	F798-M893 WeakPolarHBondContact O-CB 3.04Å; F798-M893 WeakPolarHBondContact O-CE 3.31Å; V799-M893 HydrophobicContact CG2-CB 4.39Å; A802-M893 HydrophobicContact CB-CE 3.83Å; A888-M893 HydrophobicContact CB-CG 4.43Å; A888-M893 HydrophobicContact CB-SD 4.15Å; S889-M893 WeakPolarHBondContact O-CG 3.4Å; S889-M893 PolarHBondContact O-N 3.45Å; A890-M893 PolarHBondContact O-N 3.43Å; M893-Y896 CarbonylContact O-C 3.3Å; M893-L899 HydrophobicContact CE-CB 3.85Å; M893-L899 HydrophobicContact SD-CB 3.89Å; M893-L899 HydrophobicContact SD-CD1 3.74Å; M893-L899 HydrophobicContact SD-CG 4.44Å
894	V	89.8	Confident	86.8	Confident	52 Å²	52	37.4 Å²	37.4	32%	0.315	20%	0.195	S	C	.	.	H	α-helix	trans	-76	-41	176.7	173.8	0	0	0	0	112	T794 V799 A890 S891 T892 Y896	T794-V894 HydrophobicContact CG2-CG1 4.11Å; V799-V894 HydrophobicContact CG2-CG2 3.74Å; A890-V894 WeakPolarHBondContact O-CG2 3.35Å; A890-V894 PolarHBondContact O-N 3.24Å; S891-V894 PolarHBondContact O-N 2.88Å; T892-V894 PolarHBondContact O-N 3.46Å; V894-Y896 PolarHBondContact O-N 3.31Å
895	K	87.7	Confident	85.8	Confident	119 Å²	119	36.8 Å²	36.8	52%	0.517	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-28.1	177	-173.2	176.5	176.1	-172.9	0	112.3	S891 T892 D1103	S891-K895 VanDerWaalsContact O-CB 3.23Å; S891-K895 WeakPolarHBondContact O-CB 3.4Å; S891-K895 PolarHBondContact O-N 2.96Å; T892-K895 PolarHBondContact O-N 2.69Å; K895-D1103 IonicContact NZ-OD1 3.86Å; K895-D1103 PolarHBondContact NZ-OD1 2.85Å; K895-D1103 IonicContact NZ-OD2 3.7Å; K895-D1103 PolarHBondContact NZ-OD2 3.39Å
896	Y	86.9	Confident	84.9	Confident	23 Å²	23	42.8 Å²	42.8	9%	0.09	22%	0.222	C	C	.	.			trans	-128.8	73.4	-176.5	-59.8	-68.1	0	0	0	113.2	T892 M893 V894 T898 L899 D1103 P1104 L1108	T892-Y896 HydrophobicContact CG2-CD2 4.2Å; T892-Y896 WeakPolarHBondContact O-CB 3.17Å; T892-Y896 PolarHBondContact O-N 2.74Å; M893-Y896 CarbonylContact O-C 3.3Å; V894-Y896 PolarHBondContact O-N 3.31Å; Y896-T898 PolarHBondContact O-N 3.01Å; Y896-L899 WeakPolarHBondContact O-CB 3.21Å; Y896-L899 WeakPolarHBondContact O-CG 3.48Å; Y896-L899 PolarHBondContact O-N 3.11Å; Y896-D1103 PolarHBondContact OH-OD1 2.75Å; Y896-D1103 PolarHBondContact OH-OD2 3.14Å; Y896-P1104 HydrophobicContact CD2-CG 3.71Å; Y896-P1104 HydrophobicContact CE2-CG 3.38Å; Y896-L1108 HydrophobicContact CD1-CD1 3.16Å; Y896-L1108 HydrophobicContact CE1-CD1 3.82Å; Y896-L1108 HydrophobicContact CG-CD1 3.54Å
897	P	86.4	Confident	84.3	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.052	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-53.9	-27.2	-177.9	-29.4	36.8	0	0	0	115.4	S626 R629 A630 F798 L899 Y900	S626-P897 VanDerWaalsContact O-CB 3.25Å; S626-P897 WeakPolarHBondContact O-CB 3.24Å; R629-P897 HydrophobicContact CB-CB 4.3Å; A630-P897 HydrophobicContact CB-CB 4.01Å; A630-P897 WeakPolarHBondContact CB-O 3.29Å; F798-P897 HydrophobicContact CD2-CB 4.16Å; F798-P897 HydrophobicContact CD2-CG 4.3Å; F798-P897 HydrophobicContact CE2-CB 3.6Å; F798-P897 HydrophobicContact CE2-CG 3.83Å; F798-P897 HydrophobicContact CZ-CB 3.81Å; F798-P897 HydrophobicContact CZ-CG 4.49Å; P897-L899 PolarHBondContact O-N 2.83Å; P897-Y900 VanDerWaalsContact O-CB 3.23Å; P897-Y900 WeakPolarHBondContact O-CB 3.43Å; P897-Y900 PolarHBondContact O-N 2.87Å
898	T	84.7	Confident	84	Confident	27 Å²	27	44.3 Å²	44.3	17%	0.166	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.5	-19.2	176	36.9	0	0	0	0	114.1	R629 Y896 Y900 K901 L1111	R629-T898 WeakPolarHBondContact O-CG2 3.16Å; Y896-T898 PolarHBondContact O-N 3.01Å; T898-Y900 VanDerWaalsContact C-N 3.27Å; T898-Y900 PolarHBondContact O-N 3.48Å; T898-K901 WeakPolarHBondContact O-CB 3.39Å; T898-K901 PolarHBondContact O-N 2.88Å; T898-L1111 WeakPolarHBondContact O-CD1 3.48Å
899	L	86	Confident	83.8	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.7	-29.9	172.5	-69.3	171.5	0	0	0	113.2	T892 M893 Y896 P897 K901 L902 V1094 L1108	T892-L899 HydrophobicContact CG2-CD1 4.14Å; M893-L899 HydrophobicContact CE-CB 3.85Å; M893-L899 HydrophobicContact SD-CB 3.89Å; M893-L899 HydrophobicContact SD-CD1 3.74Å; M893-L899 HydrophobicContact SD-CG 4.44Å; Y896-L899 WeakPolarHBondContact O-CB 3.21Å; Y896-L899 WeakPolarHBondContact O-CG 3.48Å; Y896-L899 PolarHBondContact O-N 3.11Å; P897-L899 PolarHBondContact O-N 2.83Å; L899-K901 PolarHBondContact O-N 3.47Å; L899-L902 HydrophobicContact CD2-CD1 4.39Å; L899-L902 WeakPolarHBondContact O-CB 3.27Å; L899-L902 WeakPolarHBondContact O-CG 3.13Å; L899-L902 PolarHBondContact O-N 3.37Å; L899-L902 VanDerWaalsContact O-N 3.08Å; L899-V1094 HydrophobicContact CD1-CG1 4.18Å; L899-V1094 HydrophobicContact CD2-CB 4.31Å; L899-V1094 HydrophobicContact CD2-CG1 4.11Å; L899-V1094 HydrophobicContact CD2-CG2 4.1Å; L899-L1108 HydrophobicContact CD2-CD2 4.27Å
900	Y	89.5	Confident	83.6	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.5	179.3	-173.2	-102.4	0	0	0	113.2	L369 Q371 V372 A630 I632 L797 F798 A802 P897 T898 L902 S903 Q904	L369-Y900 WeakPolarHBondContact O-CE2 3.25Å; L369-Y900 PolarHBondContact O-OH 2.9Å; Q371-Y900 PolarHBondContact N-OH 3.16Å; V372-Y900 WeakPolarHBondContact CB-OH 3.49Å; V372-Y900 PolarHBondContact N-OH 3.35Å; V372-Y900 VanDerWaalsContact N-OH 3.11Å; V372-Y900 WeakPolarHBondContact O-CE1 3.45Å; A630-Y900 HydrophobicContact CB-CD1 4.34Å; I632-Y900 HydrophobicContact CD1-CD1 3.99Å; I632-Y900 HydrophobicContact CD1-CE1 3.76Å; I632-Y900 HydrophobicContact CG1-CD1 4.36Å; I632-Y900 HydrophobicContact CG1-CE1 4.2Å; L797-Y900 HydrophobicContact CB-CE2 4.14Å; L797-Y900 WeakPolarHBondContact O-CE2 3.4Å; F798-Y900 HydrophobicContact CD1-CD1 4.39Å; F798-Y900 AromaticContact CD1-CD2 3.68Å; F798-Y900 HydrophobicContact CD1-CD2 3.68Å; F798-Y900 HydrophobicContact CD1-CE2 4.34Å; F798-Y900 AromaticContact CD1-CG 3.7Å; F798-Y900 HydrophobicContact CD1-CG 3.7Å; F798-Y900 HydrophobicContact CE1-CD1 4.26Å; F798-Y900 HydrophobicContact CE1-CD2 4.34Å; F798-Y900 AromaticContact CE1-CG 3.99Å; F798-Y900 HydrophobicContact CE1-CG 3.99Å; A802-Y900 HydrophobicContact CB-CD2 4.16Å; P897-Y900 VanDerWaalsContact O-CB 3.23Å; P897-Y900 WeakPolarHBondContact O-CB 3.43Å; P897-Y900 PolarHBondContact O-N 2.87Å; T898-Y900 VanDerWaalsContact C-N 3.27Å; T898-Y900 PolarHBondContact O-N 3.48Å; Y900-L902 PolarHBondContact O-N 3.22Å; Y900-L902 VanDerWaalsContact O-N 3.08Å; Y900-S903 PolarHBondContact O-N 2.92Å; Y900-S903 PolarHBondContact O-OG 3.1Å; Y900-Q904 HydrophobicContact CD1-CG 3.78Å; Y900-Q904 HydrophobicContact CE1-CG 3.65Å; Y900-Q904 PolarHBondContact O-N 2.82Å
901	K	85.1	Confident	83.3	Confident	84 Å²	84	47 Å²	47	37%	0.365	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-22.3	174.6	-169.9	156.9	179.8	153.7	0	113.3	D631 T898 L899 S905	D631-K901 HydrophobicContact CB-CD 4.1Å; D631-K901 VanDerWaalsContact OD2-CE 3.32Å; D631-K901 WeakPolarHBondContact OD2-CE 3.48Å; D631-K901 IonicContact OD2-NZ 3.75Å; D631-K901 PolarHBondContact OD2-NZ 3.24Å; T898-K901 WeakPolarHBondContact O-CB 3.39Å; T898-K901 PolarHBondContact O-N 2.88Å; L899-K901 PolarHBondContact O-N 3.47Å; K901-S905 PolarHBondContact O-N 3.13Å
902	L	82.7	Confident	83.3	Confident	47 Å²	47	51.5 Å²	51.5	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-36.9	175.2	-61.6	172.9	0	0	0	112.6	L899 Y900 S905 L1090 A1091	L899-L902 HydrophobicContact CD2-CD1 4.39Å; L899-L902 WeakPolarHBondContact O-CB 3.27Å; L899-L902 WeakPolarHBondContact O-CG 3.13Å; L899-L902 PolarHBondContact O-N 3.37Å; L899-L902 VanDerWaalsContact O-N 3.08Å; Y900-L902 PolarHBondContact O-N 3.22Å; Y900-L902 VanDerWaalsContact O-N 3.08Å; L902-S905 PolarHBondContact O-OG 2.92Å; L902-L1090 HydrophobicContact CD1-CD2 4.38Å; L902-L1090 HydrophobicContact CD2-CB 4.38Å; L902-L1090 HydrophobicContact CD2-CD2 4.32Å; L902-A1091 HydrophobicContact CD1-CB 4.19Å
903	S	84	Confident	83.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-85.9	-27.6	179.1	55.9	0	0	0	0	113.4	G370 Q371 F805 Y900 S905	G370-S903 CarbonylContact O-C 3.55Å; G370-S903 WeakPolarHBondContact O-CB 3.32Å; G370-S903 PolarHBondContact O-OG 2.85Å; Q371-S903 PolarHBondContact NE2-O 3.29Å; F805-S903 WeakPolarHBondContact CE1-O 3.4Å; Y900-S903 PolarHBondContact O-N 2.92Å; Y900-S903 PolarHBondContact O-OG 3.1Å; S903-S905 PolarHBondContact O-N 3.36Å
904	Q	82.5	Confident	83.2	Confident	27 Å²	27	51.9 Å²	51.9	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-31.8	165.1	-69.9	177.2	-27.1	0	0	112.4	G370 V372 A630 Y900 K906	G370-Q904 PolarHBondContact O-N 3.1Å; V372-Q904 PolarHBondContact O-NE2 3.17Å; A630-Q904 PolarHBondContact O-NE2 3.31Å; A630-Q904 PolarHBondContact O-OE1 3.02Å; Y900-Q904 HydrophobicContact CD1-CG 3.78Å; Y900-Q904 HydrophobicContact CE1-CG 3.65Å; Y900-Q904 PolarHBondContact O-N 2.82Å; Q904-K906 PolarHBondContact O-N 2.95Å
905	S	72	Confident	83.1	Confident	32 Å²	32	54.1 Å²	54.1	22%	0.224	26%	0.259	C	S	.	.	S	Bend	trans	-67.5	129.6	-176.8	81.2	0	0	0	0	112.3	K901 L902 S903 E907	K901-S905 PolarHBondContact O-N 3.13Å; L902-S905 PolarHBondContact O-OG 2.92Å; S903-S905 PolarHBondContact O-N 3.36Å; S905-E907 PolarHBondContact O-N 3.33Å
906	K	71.9	Confident	83.2	Confident	132 Å²	132	53.7 Å²	53.7	57%	0.574	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	10.3	171.6	-63.1	180	-179.1	175.4	0	112.4	G746 Q904 N910	G746-K906 PolarHBondContact O-NZ 3.49Å; Q904-K906 PolarHBondContact O-N 2.95Å; K906-N910 PolarHBondContact O-ND2 2.92Å; K906-N910 VanDerWaalsContact O-ND2 3.15Å
907	E	73.5	Confident	83.4	Confident	151 Å²	151	54.4 Å²	54.4	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-37.7	177.8	-61.2	-170.2	175.3	0	0	112.3	S905 F909 N910	S905-E907 PolarHBondContact O-N 3.33Å; E907-F909 VanDerWaalsContact C-N 3.34Å; E907-F909 PolarHBondContact O-N 2.74Å; E907-N910 PolarHBondContact O-ND2 3.24Å
908	S	73.3	Confident	83.4	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	26%	0.262	S	S	.	.	S	Bend	trans	-65.7	-33.3	-177.6	-68.5	0	0	0	0	113.5
909	F	81.5	Confident	83.5	Confident	17 Å²	17	56.9 Å²	56.9	8%	0.075	28%	0.278	C	S	.	.	S	Bend	trans	-137.9	94	-178.8	-169.1	-125.3	0	0	0	111.3	V259 V262 F805 V809 I812 L813 E907	V259-F909 HydrophobicContact CG1-CD1 4.27Å; V259-F909 HydrophobicContact CG1-CE1 3.83Å; V259-F909 HydrophobicContact CG1-CZ 4.49Å; V262-F909 HydrophobicContact CB-CD1 4.38Å; V262-F909 HydrophobicContact CB-CE1 3.81Å; V262-F909 HydrophobicContact CG1-CD1 3.97Å; V262-F909 HydrophobicContact CG1-CE1 3.47Å; V262-F909 VanDerWaalsContact CG1-CE1 3.47Å; V262-F909 HydrophobicContact CG1-CZ 4.03Å; F805-F909 HydrophobicContact CZ-CB 4.43Å; V809-F909 HydrophobicContact CB-CB 4.47Å; V809-F909 HydrophobicContact CG1-CB 3.91Å; V809-F909 HydrophobicContact CG1-CD2 3.9Å; V809-F909 HydrophobicContact CG1-CG 4.2Å; V809-F909 HydrophobicContact CG2-CB 3.69Å; V809-F909 HydrophobicContact CG2-CD1 4.46Å; V809-F909 HydrophobicContact CG2-CD2 4.29Å; V809-F909 HydrophobicContact CG2-CG 3.93Å; I812-F909 HydrophobicContact CD1-CZ 4.4Å; I812-F909 HydrophobicContact CG2-CE2 4.17Å; I812-F909 HydrophobicContact CG2-CZ 4.08Å; L813-F909 HydrophobicContact CD2-CE2 4.26Å; L813-F909 HydrophobicContact CG-CD2 4.47Å; L813-F909 HydrophobicContact CG-CE2 4.35Å; E907-F909 VanDerWaalsContact C-N 3.34Å; E907-F909 PolarHBondContact O-N 2.74Å
910	N	82.8	Confident	83.6	Confident	45 Å²	45	57.7 Å²	57.7	24%	0.241	28%	0.282	C	S	.	.	S	Bend	trans	-140.8	171.4	174.6	60.5	59.8	0	0	0	111.1	K906 E907 K912 V913 F914	K906-N910 PolarHBondContact O-ND2 2.92Å; K906-N910 VanDerWaalsContact O-ND2 3.15Å; E907-N910 PolarHBondContact O-ND2 3.24Å; N910-K912 PolarHBondContact O-N 2.69Å; N910-K912 WeakPolarHBondContact OD1-CA 3.46Å; N910-K912 WeakPolarHBondContact OD1-CB 3.37Å; N910-K912 PolarHBondContact OD1-N 3.37Å; N910-V913 PolarHBondContact O-N 3.48Å; N910-V913 PolarHBondContact OD1-N 3.16Å; N910-F914 PolarHBondContact O-N 3.39Å
911	V	84.2	Confident	83.5	Confident	63 Å²	63	57.7 Å²	57.7	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-28.1	-177	-180	0	0	0	0	112.5	M269 W915	M269-V911 HydrophobicContact SD-CG1 4.42Å; V911-W915 PolarHBondContact O-N 3.09Å
912	K	88.1	Confident	83.3	Confident	179 Å²	179	54 Å²	54	78%	0.778	27%	0.266	S	S	*	.	H	α-helix	trans	-70.2	-44.9	176.3	-56.8	-177.7	179.9	-179.1	0	111.5	N910 F914 W915 M916	N910-K912 PolarHBondContact O-N 2.69Å; N910-K912 WeakPolarHBondContact OD1-CA 3.46Å; N910-K912 WeakPolarHBondContact OD1-CB 3.37Å; N910-K912 PolarHBondContact OD1-N 3.37Å; K912-F914 VanDerWaalsContact C-N 3.35Å; K912-W915 PolarHBondContact O-N 2.92Å; K912-M916 PolarHBondContact O-N 2.75Å
913	V	87.2	Confident	83.4	Confident	35 Å²	35	55.6 Å²	55.6	21%	0.212	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-43.8	174.4	174.9	0	0	0	0	110.3	L813 N910 W915 M916 W917	L813-V913 HydrophobicContact CD1-CG1 3.81Å; L813-V913 HydrophobicContact CD2-CG1 4.45Å; N910-V913 PolarHBondContact O-N 3.48Å; N910-V913 PolarHBondContact OD1-N 3.16Å; V913-W915 PolarHBondContact O-N 3.41Å; V913-M916 WeakPolarHBondContact O-CB 3.34Å; V913-M916 PolarHBondContact O-N 3.33Å; V913-W917 VanDerWaalsContact O-CD1 3.28Å; V913-W917 PolarHBondContact O-N 3.28Å; V913-W917 VanDerWaalsContact O-N 3.07Å
914	F	87.9	Confident	83.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-53.2	-56.8	173.5	174.2	-95	0	0	0	111.4	Q266 L270 L813 F816 N910 K912 M916 W917 M918	Q266-F914 HydrophobicContact CB-CD2 4.19Å; Q266-F914 HydrophobicContact CB-CE2 3.82Å; Q266-F914 HydrophobicContact CB-CZ 4.04Å; Q266-F914 VanDerWaalsContact CD-CD2 3.41Å; Q266-F914 HydrophobicContact CG-CD1 4.35Å; Q266-F914 HydrophobicContact CG-CD2 3.78Å; Q266-F914 HydrophobicContact CG-CE1 4.5Å; Q266-F914 HydrophobicContact CG-CE2 3.94Å; Q266-F914 HydrophobicContact CG-CG 4Å; Q266-F914 HydrophobicContact CG-CZ 4.3Å; L270-F914 HydrophobicContact CD1-CZ 4.07Å; L270-F914 HydrophobicContact CD2-CZ 4.2Å; L270-F914 HydrophobicContact CG-CZ 4.02Å; L813-F914 HydrophobicContact CD2-CB 4.39Å; L813-F914 HydrophobicContact CD2-CD2 4.46Å; F816-F914 HydrophobicContact CD2-CD2 4.26Å; F816-F914 AromaticContact CD2-CE2 3.71Å; F816-F914 HydrophobicContact CD2-CE2 3.71Å; F816-F914 AromaticContact CE2-CE2 3.95Å; F816-F914 HydrophobicContact CE2-CE2 3.95Å; F816-F914 HydrophobicContact CG-CE2 4.07Å; N910-F914 PolarHBondContact O-N 3.39Å; K912-F914 VanDerWaalsContact C-N 3.35Å; F914-M916 VanDerWaalsContact C-N 3.31Å; F914-M916 PolarHBondContact O-N 3.08Å; F914-W917 PolarHBondContact O-N 3.18Å; F914-M918 HydrophobicContact CD1-CG 3.98Å; F914-M918 HydrophobicContact CD2-CE 3.91Å; F914-M918 HydrophobicContact CD2-SD 4.3Å; F914-M918 HydrophobicContact CE1-CG 3.67Å; F914-M918 HydrophobicContact CE1-SD 3.99Å; F914-M918 HydrophobicContact CE2-CE 3.81Å; F914-M918 HydrophobicContact CE2-CG 4.39Å; F914-M918 HydrophobicContact CE2-SD 3.73Å; F914-M918 HydrophobicContact CG-CE 4.43Å; F914-M918 HydrophobicContact CG-CG 4.46Å; F914-M918 HydrophobicContact CZ-CE 4.24Å; F914-M918 HydrophobicContact CZ-CG 3.9Å; F914-M918 HydrophobicContact CZ-SD 3.55Å; F914-M918 VanDerWaalsContact CZ-SD 3.55Å; F914-M918 WeakPolarHBondContact O-CE 3.32Å; F914-M918 VanDerWaalsContact O-CG 3.32Å; F914-M918 WeakPolarHBondContact O-CG 3.21Å; F914-M918 PolarHBondContact O-N 3.13Å
915	W	88	Confident	83.1	Confident	99 Å²	99	54.3 Å²	54.3	38%	0.375	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-35.6	179.1	-78.2	115	0	0	0	113.8	M273 V911 K912 V913 W917 M918 V919	M273-W915 HydrophobicContact SD-CH2 4.3Å; M273-W915 HydrophobicContact SD-CZ3 4.41Å; V911-W915 PolarHBondContact O-N 3.09Å; K912-W915 PolarHBondContact O-N 2.92Å; V913-W915 PolarHBondContact O-N 3.41Å; W915-W917 VanDerWaalsContact C-N 3.33Å; W915-W917 PolarHBondContact O-N 3.49Å; W915-M918 HydrophobicContact CE3-CB 4.1Å; W915-M918 HydrophobicContact CE3-CG 4.16Å; W915-M918 PolarHBondContact O-N 3.44Å; W915-M918 VanDerWaalsContact O-N 3.14Å; W915-V919 WeakPolarHBondContact O-CG2 3.49Å; W915-V919 PolarHBondContact O-N 3.46Å
916	M	89.7	Confident	83.3	Confident	110 Å²	110	55 Å²	55	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-42.6	173.4	-175.8	-174.2	-70.9	0	0	111.9	K912 V913 F914 M918 N920	K912-M916 PolarHBondContact O-N 2.75Å; V913-M916 WeakPolarHBondContact O-CB 3.34Å; V913-M916 PolarHBondContact O-N 3.33Å; F914-M916 VanDerWaalsContact C-N 3.31Å; F914-M916 PolarHBondContact O-N 3.08Å; M916-M918 VanDerWaalsContact C-N 3.35Å; M916-N920 PolarHBondContact O-N 2.95Å; M916-N920 VanDerWaalsContact O-N 3.09Å
917	W	90.1	Very high	83.5	Confident	38 Å²	38	50.3 Å²	50.3	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-31.1	174.4	-81.5	72.8	0	0	0	112.9	L813 H817 V913 F914 W915 A921 E1009	L813-W917 HydrophobicContact CB-CD2 3.82Å; L813-W917 HydrophobicContact CB-CE3 4.05Å; L813-W917 HydrophobicContact CB-CG 4.14Å; L813-W917 HydrophobicContact CB-CZ2 4.42Å; L813-W917 HydrophobicContact CB-CZ3 4.43Å; L813-W917 HydrophobicContact CD2-CB 4.46Å; L813-W917 HydrophobicContact CD2-CG 4.29Å; H817-W917 HydrophobicContact CB-CE3 3.96Å; H817-W917 HydrophobicContact CB-CZ3 4.49Å; H817-W917 PolarHBondContact ND1-O 3.3Å; V913-W917 VanDerWaalsContact O-CD1 3.28Å; V913-W917 PolarHBondContact O-N 3.28Å; V913-W917 VanDerWaalsContact O-N 3.07Å; F914-W917 PolarHBondContact O-N 3.18Å; W915-W917 VanDerWaalsContact C-N 3.33Å; W915-W917 PolarHBondContact O-N 3.49Å; W917-A921 PolarHBondContact O-N 2.96Å; W917-E1009 HydrophobicContact CH2-CB 4.42Å; W917-E1009 HydrophobicContact CH2-CG 3.8Å
918	M	86.5	Confident	83.6	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-46.4	176.1	-56.1	-49.5	92.8	0	0	110.4	F816 I820 F914 W915 M916 N920 A921 M922	F816-M918 HydrophobicContact CB-CE 3.78Å; F816-M918 HydrophobicContact CB-SD 4.21Å; I820-M918 HydrophobicContact CD1-CE 4.35Å; I820-M918 HydrophobicContact CD1-SD 3.18Å; I820-M918 WeakPolarHBondContact CD1-SD 3.47Å; F914-M918 HydrophobicContact CD1-CG 3.98Å; F914-M918 HydrophobicContact CD2-CE 3.91Å; F914-M918 HydrophobicContact CD2-SD 4.3Å; F914-M918 HydrophobicContact CE1-CG 3.67Å; F914-M918 HydrophobicContact CE1-SD 3.99Å; F914-M918 HydrophobicContact CE2-CE 3.81Å; F914-M918 HydrophobicContact CE2-CG 4.39Å; F914-M918 HydrophobicContact CE2-SD 3.73Å; F914-M918 HydrophobicContact CG-CE 4.43Å; F914-M918 HydrophobicContact CG-CG 4.46Å; F914-M918 HydrophobicContact CZ-CE 4.24Å; F914-M918 HydrophobicContact CZ-CG 3.9Å; F914-M918 HydrophobicContact CZ-SD 3.55Å; F914-M918 VanDerWaalsContact CZ-SD 3.55Å; F914-M918 WeakPolarHBondContact O-CE 3.32Å; F914-M918 VanDerWaalsContact O-CG 3.32Å; F914-M918 WeakPolarHBondContact O-CG 3.21Å; F914-M918 PolarHBondContact O-N 3.13Å; W915-M918 HydrophobicContact CE3-CB 4.1Å; W915-M918 HydrophobicContact CE3-CG 4.16Å; W915-M918 PolarHBondContact O-N 3.44Å; W915-M918 VanDerWaalsContact O-N 3.14Å; M916-M918 VanDerWaalsContact C-N 3.35Å; M918-N920 VanDerWaalsContact C-N 3.27Å; M918-N920 PolarHBondContact O-N 3.4Å; M918-A921 WeakPolarHBondContact O-CB 3.24Å; M918-A921 PolarHBondContact O-N 2.96Å; M918-A921 VanDerWaalsContact O-N 3.11Å; M918-M922 VanDerWaalsContact O-CG 3.3Å; M918-M922 WeakPolarHBondContact O-CG 3.13Å; M918-M922 PolarHBondContact O-N 2.97Å
919	V	87.4	Confident	83.4	Confident	83 Å²	83	41.3 Å²	41.3	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-59.2	-39.4	175.2	172.3	0	0	0	0	111.1	W915 M922 Y923	W915-V919 WeakPolarHBondContact O-CG2 3.49Å; W915-V919 PolarHBondContact O-N 3.46Å; V919-M922 HydrophobicContact CB-CE 4.41Å; V919-M922 HydrophobicContact CG2-CE 3.95Å; V919-M922 PolarHBondContact O-N 3.34Å; V919-Y923 WeakPolarHBondContact O-CB 3.4Å; V919-Y923 PolarHBondContact O-N 2.92Å
920	N	88.3	Confident	82.9	Confident	26 Å²	26	43.8 Å²	43.8	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-66.7	-39.6	174.4	-163.4	4.6	0	0	0	112.6	M916 M918 M922 Y923 H924 D1076	M916-N920 PolarHBondContact O-N 2.95Å; M916-N920 VanDerWaalsContact O-N 3.09Å; M918-N920 VanDerWaalsContact C-N 3.27Å; M918-N920 PolarHBondContact O-N 3.4Å; N920-M922 VanDerWaalsContact C-N 3.3Å; N920-M922 PolarHBondContact O-N 3.01Å; N920-Y923 PolarHBondContact O-N 2.88Å; N920-H924 PolarHBondContact O-N 3.4Å; N920-D1076 PolarHBondContact ND2-OD1 2.99Å; N920-D1076 PolarHBondContact ND2-OD2 2.99Å
921	A	86.2	Confident	82.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-38.3	173.8	0	0	0	0	0	112.3	H817 I820 W917 M918 S925	H817-A921 HydrophobicContact CB-CB 4.32Å; H817-A921 VanDerWaalsContact CE1-CA 3.49Å; H817-A921 WeakPolarHBondContact CE1-CA 3.46Å; H817-A921 PolarHBondContact CE1-N 2.98Å; H817-A921 WeakPolarHBondContact ND1-CB 3.45Å; H817-A921 PolarHBondContact ND1-N 3.26Å; I820-A921 HydrophobicContact CB-CB 3.93Å; I820-A921 HydrophobicContact CG2-CB 3.51Å; W917-A921 PolarHBondContact O-N 2.96Å; M918-A921 WeakPolarHBondContact O-CB 3.24Å; M918-A921 PolarHBondContact O-N 2.96Å; M918-A921 VanDerWaalsContact O-N 3.11Å; A921-S925 PolarHBondContact O-N 3.32Å; A921-S925 PolarHBondContact O-OG 3.48Å
922	M	81	Confident	81.5	Confident	6 Å²	6	43 Å²	43	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-43.6	175.5	-66.6	-175.3	-55.2	0	0	111.3	I820 I824 F845 W848 M918 V919 N920 H924 S925 V926	I820-M922 HydrophobicContact CG2-CG 4.39Å; I824-M922 HydrophobicContact CD1-CG 3.64Å; I824-M922 HydrophobicContact CD1-SD 3.9Å; I824-M922 HydrophobicContact CG2-CG 4.19Å; F845-M922 HydrophobicContact CB-SD 3.76Å; F845-M922 HydrophobicContact CD1-CB 4.15Å; F845-M922 HydrophobicContact CD1-CE 3.9Å; F845-M922 HydrophobicContact CD1-CG 4.1Å; F845-M922 HydrophobicContact CD1-SD 3.25Å; F845-M922 WeakPolarHBondContact CD1-SD 3.38Å; F845-M922 HydrophobicContact CD2-CE 3.9Å; F845-M922 HydrophobicContact CD2-SD 3.96Å; F845-M922 HydrophobicContact CE1-CB 3.87Å; F845-M922 HydrophobicContact CE1-CE 3.74Å; F845-M922 HydrophobicContact CE1-CG 4.26Å; F845-M922 HydrophobicContact CE1-SD 3.67Å; F845-M922 HydrophobicContact CE2-CE 3.77Å; F845-M922 HydrophobicContact CE2-SD 4.33Å; F845-M922 HydrophobicContact CG-CE 3.96Å; F845-M922 HydrophobicContact CG-SD 3.4Å; F845-M922 WeakPolarHBondContact CG-SD 3.41Å; F845-M922 HydrophobicContact CZ-CE 3.68Å; F845-M922 HydrophobicContact CZ-SD 4.19Å; W848-M922 HydrophobicContact CZ2-CB 4.46Å; M918-M922 VanDerWaalsContact O-CG 3.3Å; M918-M922 WeakPolarHBondContact O-CG 3.13Å; M918-M922 PolarHBondContact O-N 2.97Å; V919-M922 HydrophobicContact CB-CE 4.41Å; V919-M922 HydrophobicContact CG2-CE 3.95Å; V919-M922 PolarHBondContact O-N 3.34Å; N920-M922 VanDerWaalsContact C-N 3.3Å; N920-M922 PolarHBondContact O-N 3.01Å; M922-H924 PolarHBondContact O-N 3.24Å; M922-S925 PolarHBondContact O-N 3.48Å; M922-S925 PolarHBondContact O-OG 2.99Å; M922-V926 WeakPolarHBondContact O-CG2 3.31Å; M922-V926 PolarHBondContact O-N 3.21Å
923	Y	85.5	Confident	80.4	Confident	81 Å²	81	37.4 Å²	37.4	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-57.4	-46	172.6	168.7	-101.5	0	0	0	112.5	V919 N920 S925 V926 I927 F1075	V919-Y923 WeakPolarHBondContact O-CB 3.4Å; V919-Y923 PolarHBondContact O-N 2.92Å; N920-Y923 PolarHBondContact O-N 2.88Å; Y923-S925 PolarHBondContact O-N 3.47Å; Y923-V926 WeakPolarHBondContact O-CB 3.4Å; Y923-V926 PolarHBondContact O-N 3.31Å; Y923-I927 HydrophobicContact CD2-CD1 4.37Å; Y923-I927 HydrophobicContact CE1-CD1 3.96Å; Y923-I927 HydrophobicContact CE2-CD1 3.63Å; Y923-I927 PolarHBondContact O-N 2.89Å; Y923-I927 WeakPolarHBondContact OH-CD1 3.39Å; Y923-F1075 HydrophobicContact CE1-CB 3.78Å; Y923-F1075 HydrophobicContact CE1-CD1 4.25Å; Y923-F1075 HydrophobicContact CE1-CG 4.26Å; Y923-F1075 WeakPolarHBondContact OH-CB 2.76Å
924	H	83.3	Confident	79.5	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-45.3	174.5	-73.7	167.1	0	0	0	112.2	H817 N920 M922 V926 I927 L928 T1072 D1076	H817-H924 AromaticContact CE1-CE1 3.83Å; H817-H924 AromaticContact CE1-ND1 3.3Å; H817-H924 PolarHBondContact CE1-ND1 3.08Å; H817-H924 VanDerWaalsContact CE1-ND1 3.3Å; H817-H924 AromaticContact NE2-CE1 3.75Å; H817-H924 AromaticContact NE2-ND1 3.11Å; H817-H924 PolarHBondContact NE2-ND1 2.92Å; H817-H924 VanDerWaalsContact NE2-ND1 3.11Å; N920-H924 PolarHBondContact O-N 3.4Å; M922-H924 PolarHBondContact O-N 3.24Å; H924-V926 VanDerWaalsContact C-N 3.33Å; H924-V926 PolarHBondContact O-N 3.27Å; H924-I927 PolarHBondContact O-N 3.19Å; H924-L928 HydrophobicContact CB-CD1 4.32Å; H924-L928 WeakPolarHBondContact O-CB 3.08Å; H924-L928 WeakPolarHBondContact O-CD1 3.37Å; H924-L928 WeakPolarHBondContact O-CG 3.26Å; H924-L928 PolarHBondContact O-N 3.42Å; H924-T1072 PolarHBondContact NE2-O 3.2Å; H924-D1076 IonicContact CE1-OD2 3.97Å; H924-D1076 PolarHBondContact CE1-OD2 2.87Å; H924-D1076 IonicContact NE2-OD2 2.7Å; H924-D1076 PolarHBondContact NE2-OD2 3.05Å
925	S	76.8	Confident	78.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-30.1	179.9	67.5	0	0	0	0	113.6	I824 W848 A921 M922 Y923 F929	I824-S925 WeakPolarHBondContact CG2-OG 3.48Å; I824-S925 WeakPolarHBondContact O-CB 3.44Å; I824-S925 PolarHBondContact O-OG 2.95Å; I824-S925 VanDerWaalsContact O-OG 3.05Å; W848-S925 PolarHBondContact NE1-OG 3.34Å; A921-S925 PolarHBondContact O-N 3.32Å; A921-S925 PolarHBondContact O-OG 3.48Å; M922-S925 PolarHBondContact O-N 3.48Å; M922-S925 PolarHBondContact O-OG 2.99Å; Y923-S925 PolarHBondContact O-N 3.47Å; S925-F929 WeakPolarHBondContact O-CB 3.5Å; S925-F929 PolarHBondContact O-N 3.31Å; S925-F929 VanDerWaalsContact O-N 3.08Å
926	V	75.1	Confident	76.9	Confident	47 Å²	47	39.2 Å²	39.2	29%	0.285	20%	0.195	S	C	.	.	H	α-helix	trans	-55.9	-57.3	170.5	174.1	0	0	0	0	109.8	W848 M922 Y923 H924 F929 W930	W848-V926 HydrophobicContact CD2-CG2 3.82Å; W848-V926 HydrophobicContact CE3-CG2 4.19Å; W848-V926 HydrophobicContact CH2-CG2 3.72Å; W848-V926 HydrophobicContact CZ2-CG2 3.23Å; W848-V926 HydrophobicContact CZ3-CG2 4.16Å; M922-V926 WeakPolarHBondContact O-CG2 3.31Å; M922-V926 PolarHBondContact O-N 3.21Å; Y923-V926 WeakPolarHBondContact O-CB 3.4Å; Y923-V926 PolarHBondContact O-N 3.31Å; H924-V926 VanDerWaalsContact C-N 3.33Å; H924-V926 PolarHBondContact O-N 3.27Å; V926-F929 PolarHBondContact O-N 2.93Å; V926-W930 WeakPolarHBondContact O-CB 3.45Å; V926-W930 PolarHBondContact O-N 2.92Å
927	I	77.8	Confident	75.2	Confident	33 Å²	33	36.2 Å²	36.2	17%	0.169	19%	0.193	C	C	.	.	H	α-helix	trans	-68.9	-42.5	-173.3	-62.5	176.8	0	0	0	110.1	Y923 H924 F929 F931 A1071 T1072	Y923-I927 HydrophobicContact CD2-CD1 4.37Å; Y923-I927 HydrophobicContact CE1-CD1 3.96Å; Y923-I927 HydrophobicContact CE2-CD1 3.63Å; Y923-I927 PolarHBondContact O-N 2.89Å; Y923-I927 WeakPolarHBondContact OH-CD1 3.39Å; H924-I927 PolarHBondContact O-N 3.19Å; I927-F929 VanDerWaalsContact C-N 3.28Å; I927-F929 PolarHBondContact O-N 3.28Å; I927-F931 HydrophobicContact CG2-CB 4.05Å; I927-F931 WeakPolarHBondContact O-CB 3.24Å; I927-F931 PolarHBondContact O-N 3.37Å; I927-A1071 HydrophobicContact CG2-CB 4.45Å; I927-T1072 HydrophobicContact CB-CG2 3.83Å; I927-T1072 HydrophobicContact CG2-CG2 3.58Å
928	L	74.4	Confident	73.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-40.1	177.3	-76.6	163.3	0	0	0	112.6	C821 H924 S932 V973 V998 T1001 V1068 T1072	C821-L928 WeakPolarHBondContact SG-CD1 3.18Å; H924-L928 HydrophobicContact CB-CD1 4.32Å; H924-L928 WeakPolarHBondContact O-CB 3.08Å; H924-L928 WeakPolarHBondContact O-CD1 3.37Å; H924-L928 WeakPolarHBondContact O-CG 3.26Å; H924-L928 PolarHBondContact O-N 3.42Å; L928-S932 VanDerWaalsContact O-CB 3.26Å; L928-S932 WeakPolarHBondContact O-CB 3.06Å; L928-S932 PolarHBondContact O-OG 2.92Å; L928-V973 HydrophobicContact CB-CG1 4.14Å; L928-V973 HydrophobicContact CD2-CG1 3.8Å; L928-V998 HydrophobicContact CD1-CG1 4.34Å; L928-V998 HydrophobicContact CD1-CG2 4.01Å; L928-V998 HydrophobicContact CD2-CG2 4.24Å; L928-T1001 HydrophobicContact CD1-CG2 4.27Å; L928-T1001 HydrophobicContact CD2-CG2 4.44Å; L928-V1068 HydrophobicContact CD2-CG1 3.99Å; L928-T1072 HydrophobicContact CD2-CG2 4.05Å; L928-T1072 HydrophobicContact CG-CG2 3.8Å
929	F	69.6	Low	71.3	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-79.2	-56.8	176.3	-180	-100.9	0	0	0	112.5	I825 W848 F849 L860 S925 V926 I927 S932 K933 F994	I825-F929 HydrophobicContact CG2-CD2 3.63Å; I825-F929 HydrophobicContact CG2-CE2 4.19Å; I825-F929 HydrophobicContact CG2-CG 4.23Å; W848-F929 HydrophobicContact CB-CD1 4.19Å; F849-F929 HydrophobicContact CB-CD2 4.18Å; F849-F929 HydrophobicContact CB-CE2 3.51Å; F849-F929 HydrophobicContact CB-CZ 3.78Å; F849-F929 AromaticContact CD2-CE2 3.83Å; F849-F929 HydrophobicContact CD2-CE2 3.83Å; F849-F929 AromaticContact CD2-CZ 3.82Å; F849-F929 HydrophobicContact CD2-CZ 3.82Å; F849-F929 HydrophobicContact CG-CE2 4.09Å; F849-F929 HydrophobicContact CG-CZ 4.3Å; L860-F929 HydrophobicContact CD1-CE2 4.47Å; S925-F929 WeakPolarHBondContact O-CB 3.5Å; S925-F929 PolarHBondContact O-N 3.31Å; S925-F929 VanDerWaalsContact O-N 3.08Å; V926-F929 PolarHBondContact O-N 2.93Å; I927-F929 VanDerWaalsContact C-N 3.28Å; I927-F929 PolarHBondContact O-N 3.28Å; F929-S932 WeakPolarHBondContact O-CB 3.22Å; F929-S932 PolarHBondContact O-N 3.01Å; F929-K933 HydrophobicContact CE1-CD 4.03Å; F929-K933 HydrophobicContact CZ-CD 4.16Å; F929-K933 PolarHBondContact O-N 3.47Å; F929-F994 HydrophobicContact CD2-CE1 4.33Å; F929-F994 AromaticContact CD2-CE2 3.98Å; F929-F994 HydrophobicContact CD2-CE2 3.98Å; F929-F994 AromaticContact CD2-CZ 3.68Å; F929-F994 HydrophobicContact CD2-CZ 3.68Å; F929-F994 HydrophobicContact CE2-CD2 4.34Å; F929-F994 HydrophobicContact CE2-CE1 4.4Å; F929-F994 AromaticContact CE2-CE2 3.34Å; F929-F994 HydrophobicContact CE2-CE2 3.34Å; F929-F994 AromaticContact CE2-CZ 3.36Å; F929-F994 HydrophobicContact CE2-CZ 3.36Å; F929-F994 HydrophobicContact CZ-CE2 4.19Å; F929-F994 HydrophobicContact CZ-CZ 4.12Å
930	W	71.3	Confident	68.8	Low	69 Å²	69	46.5 Å²	46.5	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-73.1	-38.1	-168.8	-78.1	100.9	0	0	0	113.5	S828 V926 S932 K933 L934	S828-W930 WeakPolarHBondContact O-CZ2 3.21Å; S828-W930 PolarHBondContact O-NE1 3.03Å; V926-W930 WeakPolarHBondContact O-CB 3.45Å; V926-W930 PolarHBondContact O-N 2.92Å; W930-S932 VanDerWaalsContact C-N 3.3Å; W930-S932 PolarHBondContact O-N 3.45Å; W930-K933 HydrophobicContact CE3-CD 3.93Å; W930-K933 HydrophobicContact CH2-CD 4.41Å; W930-K933 HydrophobicContact CZ3-CD 3.77Å; W930-K933 PolarHBondContact O-N 3.43Å; W930-L934 WeakPolarHBondContact O-CB 3.19Å; W930-L934 VanDerWaalsContact O-CG 3.3Å; W930-L934 WeakPolarHBondContact O-CG 3.07Å; W930-L934 PolarHBondContact O-N 3.31Å
931	F	71.8	Confident	66	Low	91 Å²	91	54.4 Å²	54.4	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-35.2	178.3	-157.7	-136	0	0	0	110.9	I927 A935 F1067 V1068 A1071	I927-F931 HydrophobicContact CG2-CB 4.05Å; I927-F931 WeakPolarHBondContact O-CB 3.24Å; I927-F931 PolarHBondContact O-N 3.37Å; F931-A935 WeakPolarHBondContact O-CB 3.04Å; F931-A935 PolarHBondContact O-N 2.92Å; F931-F1067 HydrophobicContact CE1-CB 4.43Å; F931-V1068 HydrophobicContact CD1-CB 4.43Å; F931-V1068 HydrophobicContact CD1-CG2 3.93Å; F931-A1071 HydrophobicContact CD1-CB 4.15Å; F931-A1071 HydrophobicContact CE1-CB 3.84Å
932	S	65.9	Low	63.6	Low	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-48.8	169.3	-58.3	0	0	0	0	111.9	L928 F929 W930 L934 A935 F936 Y997	L928-S932 VanDerWaalsContact O-CB 3.26Å; L928-S932 WeakPolarHBondContact O-CB 3.06Å; L928-S932 PolarHBondContact O-OG 2.92Å; F929-S932 WeakPolarHBondContact O-CB 3.22Å; F929-S932 PolarHBondContact O-N 3.01Å; W930-S932 VanDerWaalsContact C-N 3.3Å; W930-S932 PolarHBondContact O-N 3.45Å; S932-L934 VanDerWaalsContact C-N 3.31Å; S932-L934 PolarHBondContact O-N 2.67Å; S932-A935 PolarHBondContact O-N 2.78Å; S932-F936 VanDerWaalsContact O-CD2 3.29Å; S932-F936 WeakPolarHBondContact O-CD2 3.32Å; S932-F936 PolarHBondContact O-N 2.74Å; S932-Y997 VanDerWaalsContact OG-CD2 3.24Å; S932-Y997 WeakPolarHBondContact OG-CD2 3.14Å; S932-Y997 VanDerWaalsContact OG-CE2 3.31Å; S932-Y997 WeakPolarHBondContact OG-CE2 3.27Å
933	K	65	Low	61.5	Low	61 Å²	61	63.6 Å²	63.6	27%	0.265	35%	0.352	S	S	.	.	H	α-helix	trans	-57	-42.4	176.2	-177.4	178.2	171.2	-175.4	0	112.4	F929 W930 F936 G937 F994	F929-K933 HydrophobicContact CE1-CD 4.03Å; F929-K933 HydrophobicContact CZ-CD 4.16Å; F929-K933 PolarHBondContact O-N 3.47Å; W930-K933 HydrophobicContact CE3-CD 3.93Å; W930-K933 HydrophobicContact CH2-CD 4.41Å; W930-K933 HydrophobicContact CZ3-CD 3.77Å; W930-K933 PolarHBondContact O-N 3.43Å; K933-F936 PolarHBondContact O-N 2.95Å; K933-G937 PolarHBondContact O-N 2.64Å; K933-F994 HydrophobicContact CB-CZ 4.38Å
934	L	67.6	Low	59.4	Low	102 Å²	102	68.1 Å²	68.1	53%	0.534	38%	0.376	S	S	.	.	H	α-helix	trans	-66.6	-40.4	177.3	-71.4	167.9	0	0	0	112.3	W930 S932 F936 G937	W930-L934 WeakPolarHBondContact O-CB 3.19Å; W930-L934 VanDerWaalsContact O-CG 3.3Å; W930-L934 WeakPolarHBondContact O-CG 3.07Å; W930-L934 PolarHBondContact O-N 3.31Å; S932-L934 VanDerWaalsContact C-N 3.31Å; S932-L934 PolarHBondContact O-N 2.67Å; L934-F936 PolarHBondContact O-N 3Å; L934-F936 VanDerWaalsContact O-N 3.15Å; L934-G937 PolarHBondContact O-N 3.12Å
935	A	62.9	Low	57.3	Low	45 Å²	45	75 Å²	75	37%	0.372	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-20.3	179	0	0	0	0	0	114.4	F931 S932	F931-A935 WeakPolarHBondContact O-CB 3.04Å; F931-A935 PolarHBondContact O-N 2.92Å; S932-A935 PolarHBondContact O-N 2.78Å
936	F	58.7	Low	55.3	Low	26 Å²	26	82.5 Å²	82.5	11%	0.114	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	4	174.9	-66.1	-74.1	0	0	0	113.7	S932 K933 L934 V957 M968 L969 F1060	S932-F936 VanDerWaalsContact O-CD2 3.29Å; S932-F936 WeakPolarHBondContact O-CD2 3.32Å; S932-F936 PolarHBondContact O-N 2.74Å; K933-F936 PolarHBondContact O-N 2.95Å; L934-F936 PolarHBondContact O-N 3Å; L934-F936 VanDerWaalsContact O-N 3.15Å; F936-V957 HydrophobicContact CD1-CG2 3.92Å; F936-V957 HydrophobicContact CE1-CG1 4.15Å; F936-V957 HydrophobicContact CE1-CG2 3.97Å; F936-M968 HydrophobicContact CD1-CE 4.3Å; F936-M968 HydrophobicContact CE1-CE 3.46Å; F936-M968 VanDerWaalsContact CE1-CE 3.46Å; F936-M968 HydrophobicContact CE2-CE 4.39Å; F936-M968 HydrophobicContact CZ-CE 3.5Å; F936-M968 VanDerWaalsContact CZ-CE 3.5Å; F936-L969 HydrophobicContact CB-CD1 3.98Å; F936-L969 HydrophobicContact CD2-CB 4.04Å; F936-L969 HydrophobicContact CD2-CD1 3.3Å; F936-L969 HydrophobicContact CD2-CG 4.24Å; F936-L969 HydrophobicContact CE2-CB 4.24Å; F936-L969 HydrophobicContact CE2-CD1 4.08Å; F936-L969 HydrophobicContact CG-CD1 3.96Å; F936-F1060 HydrophobicContact CE1-CB 4.17Å
937	G	53.9	Low	53.6	Low	47 Å²	47	91.2 Å²	91.2	49%	0.485	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.4	-172.9	0	0	0	0	0	116.1	K933 L934 G939	K933-G937 PolarHBondContact O-N 2.64Å; L934-G937 PolarHBondContact O-N 3.12Å; G937-G939 PolarHBondContact O-N 3.32Å
938	H	50	Low	51.5	Low	173 Å²	173	93 Å²	93	80%	0.801	50%	0.495	S	S	*	.			trans	-100.5	80.1	-165.9	-108.7	-83	0	0	0	114.2
939	G	45	Very low	49.6	Very low	38 Å²	38	102.8 Å²	102.8	39%	0.392	54%	0.541	S	S	.	.			trans	-109.7	108.9	167.8	0	0	0	0	0	112.9	G937	G937-G939 PolarHBondContact O-N 3.32Å
940	T	34.7	Very low	48	Very low	130 Å²	130	110.9 Å²	110.9	80%	0.798	58%	0.576	S	S	*	*			trans	45.2	100.4	166.2	47.5	0	0	0	0	117.9	S942	T940-S942 PolarHBondContact O-N 3.05Å
941	F	30.4	Very low	46.1	Very low	191 Å²	191	113.2 Å²	113.2	84%	0.838	60%	0.602	S	S	*	*			trans	-72.6	88.8	169.7	-170.5	-90.2	0	0	0	111.1	P943	F941-P943 HydrophobicContact CD1-CG 4.29Å; F941-P943 HydrophobicContact CE1-CG 4.25Å
942	S	34.6	Very low	44.4	Very low	92 Å²	92	114.7 Å²	114.7	64%	0.643	62%	0.618	S	S	*	*			trans	-94.6	112.5	173.9	-73.8	0	0	0	0	110.9	T940 Q944	T940-S942 PolarHBondContact O-N 3.05Å; S942-Q944 PolarHBondContact O-N 3.24Å
943	P	37.8	Very low	43.3	Very low	108 Å²	108	121.5 Å²	121.5	70%	0.701	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	14.9	-168.7	-22.2	34.9	0	0	0	117.8	F941	F941-P943 HydrophobicContact CD1-CG 4.29Å; F941-P943 HydrophobicContact CE1-CG 4.25Å
944	Q	41.1	Very low	42.3	Very low	176 Å²	176	120.1 Å²	120.1	82%	0.822	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-4.1	-159.5	-70.2	178.5	-20.6	0	0	116	S942	S942-Q944 PolarHBondContact O-N 3.24Å
945	L	38.9	Very low	41.6	Very low	145 Å²	145	118 Å²	118	76%	0.759	64%	0.636	S	S	*	*			trans	-121.4	88	171.7	-83.9	83.8	0	0	0	110.9
946	L	34.2	Very low	41.2	Very low	157 Å²	157	120.3 Å²	120.3	82%	0.822	64%	0.641	S	S	*	*			trans	-94.2	-0.2	-179.7	-165	58.1	0	0	0	113.9
947	Y	39.9	Very low	41.3	Very low	230 Å²	230	119.2 Å²	119.2	90%	0.902	64%	0.636	S	S	*	*	S	Bend	trans	-118.8	3.8	-167.4	-80.4	-78.4	0	0	0	116.3
948	S	34.3	Very low	41.8	Very low	70 Å²	70	119.1 Å²	119.1	49%	0.49	62%	0.621	S	S	.	*			trans	-113.3	110.4	173.1	55.6	0	0	0	0	110.5	F950	S948-F950 PolarHBondContact O-N 3.44Å
949	H	33.9	Very low	42.4	Very low	206 Å²	206	116.7 Å²	116.7	95%	0.954	63%	0.631	S	S	*	*			trans	-76.7	32.4	-175.1	-135.1	-92.4	0	0	0	113.8
950	F	35.6	Very low	43.5	Very low	171 Å²	171	120 Å²	120	75%	0.75	64%	0.64	S	S	*	*			trans	-120	96	-170.2	-152.9	-90.6	0	0	0	109.4	S948 V952	S948-F950 PolarHBondContact O-N 3.44Å; F950-V952 HydrophobicContact CD1-CG2 4.47Å; F950-V952 PolarHBondContact O-N 2.83Å
951	C	31.8	Very low	45	Very low	119 Å²	119	115.7 Å²	115.7	80%	0.804	62%	0.621	S	S	*	*			trans	-70.3	94	176.8	-73.2	0	0	0	0	110	F953	C951-F953 PolarHBondContact O-N 2.78Å
952	V	35.8	Very low	46.7	Very low	122 Å²	122	113.9 Å²	113.9	74%	0.739	61%	0.609	S	S	*	*			trans	-59.7	121.8	170.7	178.9	0	0	0	0	108.6	F950 A954	F950-V952 HydrophobicContact CD1-CG2 4.47Å; F950-V952 PolarHBondContact O-N 2.83Å; V952-A954 PolarHBondContact O-N 2.87Å; V952-A954 VanDerWaalsContact O-N 3.12Å
953	F	44	Very low	48	Very low	142 Å²	142	111.3 Å²	111.3	62%	0.623	59%	0.587	S	S	*	*			trans	-62.7	114.4	174.7	-64.7	-89.3	0	0	0	109.1	C951 E955	C951-F953 PolarHBondContact O-N 2.78Å; F953-E955 HydrophobicContact CB-CB 4.31Å; F953-E955 HydrophobicContact CB-CG 4.38Å; F953-E955 PolarHBondContact O-N 3.48Å
954	A	43	Very low	48.8	Very low	33 Å²	33	106.2 Å²	106.2	27%	0.273	56%	0.555	S	S	.	*			trans	-76.5	63.1	172.7	0	0	0	0	0	110.2	V952 I956	V952-A954 PolarHBondContact O-N 2.87Å; V952-A954 VanDerWaalsContact O-N 3.12Å; A954-I956 PolarHBondContact O-N 2.89Å
955	E	53.6	Low	49.9	Very low	57 Å²	57	98.2 Å²	98.2	27%	0.266	52%	0.519	S	S	.	.			trans	-72.6	14.4	-158.4	-142.4	173.7	-154.5	0	0	114.6	F953 V957 I963 L993	F953-E955 HydrophobicContact CB-CB 4.31Å; F953-E955 HydrophobicContact CB-CG 4.38Å; F953-E955 PolarHBondContact O-N 3.48Å; E955-V957 PolarHBondContact O-N 2.7Å; E955-I963 HydrophobicContact CB-CB 4.41Å; E955-I963 HydrophobicContact CB-CD1 3.93Å; E955-I963 HydrophobicContact CB-CG1 4.1Å; E955-I963 HydrophobicContact CB-CG2 3.64Å; E955-I963 HydrophobicContact CG-CG2 3.68Å; E955-I963 WeakPolarHBondContact O-CA 3.43Å; E955-I963 WeakPolarHBondContact OE2-CG2 3.25Å; E955-L993 HydrophobicContact CG-CD1 3.77Å
956	I	55.1	Low	50.9	Low	93 Å²	93	94.4 Å²	94.4	48%	0.477	50%	0.499	S	S	.	.	B	Isolated β-bridge	trans	-82.9	112	-169.2	-61.9	172	0	0	0	110.4	A954 W958 R962 I963	A954-I956 PolarHBondContact O-N 2.89Å; I956-W958 VanDerWaalsContact CG2-O 3.26Å; I956-W958 WeakPolarHBondContact CG2-O 3.41Å; I956-R962 WeakPolarHBondContact CA-O 3.41Å; I956-I963 HydrophobicContact CG1-CD1 4.19Å; I956-I963 HydrophobicContact CG1-CG1 3.99Å
957	V	60.1	Low	52	Low	4 Å²	4	87.9 Å²	87.9	2%	0.024	46%	0.464	C	S	.	.			trans	-98.9	-17.4	-174.6	174.7	0	0	0	0	113	F936 E955 R962 M968 L993 S1058 F1060	F936-V957 HydrophobicContact CD1-CG2 3.92Å; F936-V957 HydrophobicContact CE1-CG1 4.15Å; F936-V957 HydrophobicContact CE1-CG2 3.97Å; E955-V957 PolarHBondContact O-N 2.7Å; V957-R962 PolarHBondContact N-O 2.7Å; V957-M968 HydrophobicContact CB-CE 4.42Å; V957-M968 HydrophobicContact CG1-CE 3.81Å; V957-M968 HydrophobicContact CG1-SD 3.79Å; V957-M968 HydrophobicContact CG2-CE 3.73Å; V957-L993 HydrophobicContact CG2-CD2 4.41Å; V957-S1058 WeakPolarHBondContact CG1-OG 3.2Å; V957-F1060 WeakPolarHBondContact O-CD2 3.31Å
958	W	64.1	Low	52.7	Low	44 Å²	44	77 Å²	77	17%	0.167	42%	0.421	C	S	.	.	S	Bend	trans	-127.3	150.8	-179.7	-60.4	-101.1	0	0	0	110.9	I956 N960 G961 R962 V1054 S1057	I956-W958 VanDerWaalsContact CG2-O 3.26Å; I956-W958 WeakPolarHBondContact CG2-O 3.41Å; W958-N960 VanDerWaalsContact CB-OD1 3.22Å; W958-N960 WeakPolarHBondContact CB-OD1 3.46Å; W958-N960 PolarHBondContact O-N 3.36Å; W958-G961 PolarHBondContact O-N 3.36Å; W958-R962 HydrophobicContact CD2-CB 4.07Å; W958-R962 HydrophobicContact CE3-CB 3.34Å; W958-R962 HydrophobicContact CH2-CB 4.49Å; W958-R962 HydrophobicContact CZ3-CB 3.6Å; W958-V1054 HydrophobicContact CH2-CB 4.46Å; W958-V1054 HydrophobicContact CH2-CG1 3.59Å; W958-V1054 HydrophobicContact CZ2-CB 4.35Å; W958-V1054 HydrophobicContact CZ2-CG1 3.79Å; W958-V1054 WeakPolarHBondContact CZ2-O 3.25Å; W958-S1057 PolarHBondContact NE1-OG 2.83Å
959	A	63.4	Low	53.6	Low	122 Å²	122	75 Å²	75	100%	1.008	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-1.3	175	0	0	0	0	0	115.2
960	N	67.5	Low	54.6	Low	108 Å²	108	65.1 Å²	65.1	58%	0.578	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	15	173.9	67.8	8.4	0	0	0	113.4	W958 R962	W958-N960 VanDerWaalsContact CB-OD1 3.22Å; W958-N960 WeakPolarHBondContact CB-OD1 3.46Å; W958-N960 PolarHBondContact O-N 3.36Å; N960-R962 PolarHBondContact O-N 3.4Å; N960-R962 WeakPolarHBondContact OD1-CB 3.5Å; N960-R962 WeakPolarHBondContact OD1-CG 3.42Å; N960-R962 PolarHBondContact OD1-N 2.97Å
961	G	66.6	Low	55.3	Low	39 Å²	39	57 Å²	57	40%	0.402	32%	0.324	S	S	.	.			trans	76.6	2	176.7	0	0	0	0	0	115.2	W958	W958-G961 PolarHBondContact O-N 3.36Å
962	R	64.8	Low	55.9	Low	154 Å²	154	51.3 Å²	51.3	58%	0.581	29%	0.285	S	S	*	.			trans	-67.4	147.8	176.2	-75	-173.5	-177.6	-157.8	-0.1	111.9	I956 V957 W958 N960	I956-R962 WeakPolarHBondContact CA-O 3.41Å; V957-R962 PolarHBondContact N-O 2.7Å; W958-R962 HydrophobicContact CD2-CB 4.07Å; W958-R962 HydrophobicContact CE3-CB 3.34Å; W958-R962 HydrophobicContact CH2-CB 4.49Å; W958-R962 HydrophobicContact CZ3-CB 3.6Å; N960-R962 PolarHBondContact O-N 3.4Å; N960-R962 WeakPolarHBondContact OD1-CB 3.5Å; N960-R962 WeakPolarHBondContact OD1-CG 3.42Å; N960-R962 PolarHBondContact OD1-N 2.97Å
963	I	63.5	Low	56.6	Low	38 Å²	38	45.5 Å²	45.5	20%	0.195	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-120.2	162.9	-176.6	-69.2	-174	0	0	0	108.9	E955 I956 Y990	E955-I963 HydrophobicContact CB-CB 4.41Å; E955-I963 HydrophobicContact CB-CD1 3.93Å; E955-I963 HydrophobicContact CB-CG1 4.1Å; E955-I963 HydrophobicContact CB-CG2 3.64Å; E955-I963 HydrophobicContact CG-CG2 3.68Å; E955-I963 WeakPolarHBondContact O-CA 3.43Å; E955-I963 WeakPolarHBondContact OE2-CG2 3.25Å; I956-I963 HydrophobicContact CG1-CD1 4.19Å; I956-I963 HydrophobicContact CG1-CG1 3.99Å; I963-Y990 HydrophobicContact CB-CD1 3.77Å; I963-Y990 HydrophobicContact CB-CE1 3.52Å; I963-Y990 HydrophobicContact CD1-CE1 3.93Å; I963-Y990 HydrophobicContact CG1-CE1 4.06Å; I963-Y990 HydrophobicContact CG2-CD1 3.51Å; I963-Y990 HydrophobicContact CG2-CE1 3.8Å
964	G	54.4	Low	56.6	Low	1 Å²	1	38.8 Å²	38.8	1%	0.01	22%	0.22	C	C	.	.			trans	-95.1	-74.8	172.4	0	0	0	0	0	115.7	Y990 A991 V992	G964-Y990 CarbonylContact O-C 3.49Å; G964-Y990 VanDerWaalsContact O-CA 3.24Å; G964-Y990 WeakPolarHBondContact O-CA 3.47Å; G964-A991 PolarHBondContact O-N 3.06Å; G964-V992 VanDerWaalsContact C-N 3.34Å; G964-V992 CarbonylContact C-O 3.53Å; G964-V992 WeakPolarHBondContact CA-O 3.35Å; G964-V992 WeakPolarHBondContact O-CA 3.33Å; G964-V992 VanDerWaalsContact O-CG2 3.25Å; G964-V992 WeakPolarHBondContact O-CG2 3.48Å; G964-V992 PolarHBondContact O-N 3.21Å
965	G	62.8	Low	56.5	Low	8 Å²	8	37.2 Å²	37.2	8%	0.082	21%	0.208	C	C	.	.			trans	118	-111.1	-166.1	0	0	0	0	0	117	Y990 V992 L993	G965-Y990 WeakPolarHBondContact CA-O 3.41Å; G965-V992 VanDerWaalsContact C-C 3.4Å; G965-V992 PolarHBondContact N-O 3.22Å; G965-L993 VanDerWaalsContact C-CG 3.5Å; G965-L993 VanDerWaalsContact C-N 3.31Å; G965-L993 WeakPolarHBondContact O-CB 3.5Å; G965-L993 WeakPolarHBondContact O-CD1 2.97Å; G965-L993 WeakPolarHBondContact O-CG 3.37Å
966	L	61.5	Low	56.1	Low	65 Å²	65	34.7 Å²	34.7	34%	0.34	20%	0.196	S	C	.	.	S	Bend	trans	-129.4	-11.5	-178.8	-149	66.6	0	0	0	121.8	Q858 G970 A991 V992 L993	Q858-L966 HydrophobicContact CG-CD2 4.32Å; L966-G970 WeakPolarHBondContact O-CA 3.36Å; L966-G970 PolarHBondContact O-N 2.88Å; L966-A991 CarbonylContact C-O 3.19Å; L966-A991 WeakPolarHBondContact CA-O 3.29Å; L966-A991 PolarHBondContact N-O 3.39Å; L966-V992 VanDerWaalsContact N-CA 3.27Å; L966-L993 WeakPolarHBondContact O-CA 3.48Å; L966-L993 PolarHBondContact O-N 3.25Å
967	Y	57.2	Low	55.2	Low	20 Å²	20	37.6 Å²	37.6	8%	0.078	20%	0.201	C	C	.	.	S	Bend	trans	-114	0	140.1	-27	-77.7	0	0	0	131.1	Q858 N971 A991 V992 L993 E1047 M1051	Q858-Y967 PolarHBondContact NE2-OH 2.85Å; Y967-N971 VanDerWaalsContact CB-ND2 3.34Å; Y967-N971 WeakPolarHBondContact CB-ND2 3.44Å; Y967-N971 VanDerWaalsContact O-CB 3.22Å; Y967-N971 WeakPolarHBondContact O-CB 3.35Å; Y967-N971 PolarHBondContact O-ND2 3.31Å; Y967-A991 PolarHBondContact N-O 2.66Å; Y967-V992 CarbonylContact C-O 3.42Å; Y967-V992 VanDerWaalsContact CA-C 3.42Å; Y967-V992 VanDerWaalsContact CA-CA 3.43Å; Y967-V992 WeakPolarHBondContact O-CG1 3.47Å; Y967-L993 VanDerWaalsContact C-CA 3.45Å; Y967-L993 CarbonylContact C-O 3.22Å; Y967-L993 WeakPolarHBondContact CA-O 3.3Å; Y967-E1047 HydrophobicContact CD2-CB 4.02Å; Y967-E1047 HydrophobicContact CE2-CB 4.27Å; Y967-M1051 VanDerWaalsContact O-CE 3.31Å; Y967-M1051 WeakPolarHBondContact O-CE 3.23Å
968	M	54.1	Low	54	Low	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.221	C	C	.	.	S	Bend		0	0	0	-145.2	-117.3	44.7	0	0	132.8	F936 V957 N971 S972 V992 L993 F994 K996 M1051 V1054 M1055	F936-M968 HydrophobicContact CD1-CE 4.3Å; F936-M968 HydrophobicContact CE1-CE 3.46Å; F936-M968 VanDerWaalsContact CE1-CE 3.46Å; F936-M968 HydrophobicContact CE2-CE 4.39Å; F936-M968 HydrophobicContact CZ-CE 3.5Å; F936-M968 VanDerWaalsContact CZ-CE 3.5Å; V957-M968 HydrophobicContact CB-CE 4.42Å; V957-M968 HydrophobicContact CG1-CE 3.81Å; V957-M968 HydrophobicContact CG1-SD 3.79Å; V957-M968 HydrophobicContact CG2-CE 3.73Å; M968-N971 CarbonylContact O-C 2.75Å; M968-S972 WeakPolarHBondContact O-CA 2.85Å; M968-S972 WeakPolarHBondContact O-CB 3.23Å; M968-S972 PolarHBondContact O-N 2.98Å; M968-S972 PolarHBondContact O-OG 3.33Å; M968-V992 VanDerWaalsContact CA-O 3.27Å; M968-V992 WeakPolarHBondContact CA-O 3.49Å; M968-V992 VanDerWaalsContact CB-O 3.27Å; M968-V992 WeakPolarHBondContact CB-O 3.05Å; M968-V992 PolarHBondContact N-O 2.89Å; M968-L993 CarbonylContact C-O 3.31Å; M968-L993 WeakPolarHBondContact CA-O 3.28Å; M968-L993 HydrophobicContact CB-CD2 4.03Å; M968-L993 HydrophobicContact CE-CD2 3.83Å; M968-L993 PolarHBondContact N-O 2.86Å; M968-L993 CarbonylContact O-C 3.53Å; M968-L993 VanDerWaalsContact O-C 3.23Å; M968-F994 PolarHBondContact O-N 2.99Å; M968-K996 PolarHBondContact SD-NZ 2.79Å; M968-K996 VanDerWaalsContact SD-NZ 3.43Å; M968-M1051 HydrophobicContact CB-CE 4.15Å; M968-V1054 HydrophobicContact CB-CG1 4.26Å; M968-V1054 HydrophobicContact CG-CG1 4.26Å; M968-M1055 HydrophobicContact CB-CG 3.98Å; M968-M1055 HydrophobicContact CG-CB 3.97Å; M968-M1055 HydrophobicContact CG-CG 3.33Å
969	L	53.8	Low	52.7	Low	27 Å²	27	47.5 Å²	47.5	14%	0.141	24%	0.242	C	C	.	.	S	Bend		0	0	0	164.4	134.7	0	0	0	126	F936 L993 F994	F936-L969 HydrophobicContact CB-CD1 3.98Å; F936-L969 HydrophobicContact CD2-CB 4.04Å; F936-L969 HydrophobicContact CD2-CD1 3.3Å; F936-L969 HydrophobicContact CD2-CG 4.24Å; F936-L969 HydrophobicContact CE2-CB 4.24Å; F936-L969 HydrophobicContact CE2-CD1 4.08Å; F936-L969 HydrophobicContact CG-CD1 3.96Å; L969-L993 HydrophobicContact CB-CB 3.52Å; L969-L993 HydrophobicContact CB-CD1 4.06Å; L969-L993 HydrophobicContact CB-CD2 3.9Å; L969-L993 HydrophobicContact CB-CG 3.97Å; L969-L993 HydrophobicContact CD2-CB 4.23Å; L969-L993 HydrophobicContact CD2-CD1 3.74Å; L969-L993 HydrophobicContact CG-CB 4.34Å; L969-L993 VanDerWaalsContact N-CG 3.26Å; L969-L993 PolarHBondContact N-O 3.43Å; L969-L993 WeakPolarHBondContact O-CA 3.22Å; L969-L993 WeakPolarHBondContact O-CB 3.09Å; L969-F994 HydrophobicContact CB-CD1 4.02Å; L969-F994 HydrophobicContact CB-CD2 4.49Å; L969-F994 HydrophobicContact CB-CE1 4.4Å; L969-F994 HydrophobicContact CB-CG 4.08Å; L969-F994 HydrophobicContact CD1-CD1 3.73Å; L969-F994 HydrophobicContact CD1-CE1 3.23Å; L969-F994 HydrophobicContact CD1-CE2 4.09Å; L969-F994 HydrophobicContact CD1-CG 4.37Å; L969-F994 HydrophobicContact CD1-CZ 3.44Å; L969-F994 VanDerWaalsContact CD1-CZ 3.44Å; L969-F994 HydrophobicContact CD2-CD2 4.47Å; L969-F994 HydrophobicContact CD2-CE2 4.12Å; L969-F994 HydrophobicContact CD2-CZ 4.25Å; L969-F994 HydrophobicContact CG-CD1 3.58Å; L969-F994 HydrophobicContact CG-CD2 3.77Å; L969-F994 HydrophobicContact CG-CE1 3.5Å; L969-F994 HydrophobicContact CG-CE2 3.64Å; L969-F994 HydrophobicContact CG-CG 3.73Å; L969-F994 HydrophobicContact CG-CZ 3.54Å; L969-F994 WeakPolarHBondContact O-CD2 3.48Å; L969-F994 WeakPolarHBondContact O-CE2 3.49Å; L969-F994 WeakPolarHBondContact O-CG 2.97Å
970	G	53.6	Low	51.2	Low	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.233	C	C	.	.	S	Bend		0	0	0	0	0	0	0	0	135.2	L860 F861 L966 L993 F994 F995	L860-G970 CarbonylContact O-C 3.59Å; L860-G970 WeakPolarHBondContact O-CA 3.21Å; F861-G970 VanDerWaalsContact CD1-O 3.24Å; F861-G970 WeakPolarHBondContact CD1-O 3.36Å; L966-G970 WeakPolarHBondContact O-CA 3.36Å; L966-G970 PolarHBondContact O-N 2.88Å; G970-L993 CarbonylContact C-O 3.57Å; G970-L993 WeakPolarHBondContact CA-O 3.17Å; G970-F994 VanDerWaalsContact N-CD2 3.27Å; G970-F994 CarbonylContact O-C 3.51Å; G970-F994 WeakPolarHBondContact O-CA 3.44Å; G970-F994 WeakPolarHBondContact O-CB 3.3Å; G970-F995 PolarHBondContact O-N 2.95Å
971	N	50.3	Low	49.5	Very low	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge		0	18.9	0	-54.9	-31.8	0	0	0	133.6	Y967 M968 L993 F994 F995 K996 M1048 M1055	Y967-N971 VanDerWaalsContact CB-ND2 3.34Å; Y967-N971 WeakPolarHBondContact CB-ND2 3.44Å; Y967-N971 VanDerWaalsContact O-CB 3.22Å; Y967-N971 WeakPolarHBondContact O-CB 3.35Å; Y967-N971 PolarHBondContact O-ND2 3.31Å; M968-N971 CarbonylContact O-C 2.75Å; N971-L993 CarbonylContact C-O 3.23Å; N971-L993 VanDerWaalsContact C-O 3.3Å; N971-L993 WeakPolarHBondContact CA-O 3.16Å; N971-L993 WeakPolarHBondContact CB-O 3.45Å; N971-L993 PolarHBondContact N-O 3.36Å; N971-F994 VanDerWaalsContact N-C 3.3Å; N971-F995 CarbonylContact O-C 3.32Å; N971-K996 WeakPolarHBondContact O-CE 3.47Å; N971-K996 VanDerWaalsContact O-CG 3.32Å; N971-K996 WeakPolarHBondContact O-CG 3.47Å; N971-K996 PolarHBondContact O-N 3.15Å; N971-M1048 PolarHBondContact ND2-SD 3.05Å; N971-M1055 HydrophobicContact CB-CE 3.59Å; N971-M1055 HydrophobicContact CB-SD 3.7Å; N971-M1055 WeakPolarHBondContact O-CE 3.33Å
972	S	44.8	Very low	47.9	Very low	0 Å²	0	58 Å²	58	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-112.8	44.7	153.9	-71.1	0	0	0	0	120	M968 F994 K996 Y997	M968-S972 WeakPolarHBondContact O-CA 2.85Å; M968-S972 WeakPolarHBondContact O-CB 3.23Å; M968-S972 PolarHBondContact O-N 2.98Å; M968-S972 PolarHBondContact O-OG 3.33Å; S972-F994 CarbonylContact C-O 3.56Å; S972-F994 VanDerWaalsContact C-O 3.24Å; S972-K996 CarbonylContact C-O 3.06Å; S972-K996 WeakPolarHBondContact CA-O 3.4Å; S972-K996 VanDerWaalsContact N-N 3.14Å; S972-K996 WeakPolarHBondContact OG-CE 3.24Å; S972-K996 PolarHBondContact OG-NZ 3.38Å; S972-K996 VanDerWaalsContact OG-NZ 3.08Å; S972-Y997 WeakPolarHBondContact O-CD2 3.32Å; S972-Y997 WeakPolarHBondContact O-CE2 3.44Å
973	V	50.6	Low	46.6	Very low	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-141.1	41.7	154.5	-142.5	0	0	0	0	117.9	L928 F994 F995 K996 Y997 V998	L928-V973 HydrophobicContact CB-CG1 4.14Å; L928-V973 HydrophobicContact CD2-CG1 3.8Å; V973-F994 VanDerWaalsContact CA-O 3.24Å; V973-F994 WeakPolarHBondContact CA-O 3.48Å; V973-F994 WeakPolarHBondContact CB-O 3.17Å; V973-F994 HydrophobicContact CG2-CB 4.39Å; V973-F994 HydrophobicContact CG2-CD1 3.62Å; V973-F994 HydrophobicContact CG2-CE1 4.26Å; V973-F994 HydrophobicContact CG2-CG 4.38Å; V973-F994 WeakPolarHBondContact CG2-O 3.37Å; V973-F994 PolarHBondContact N-O 2.96Å; V973-F995 VanDerWaalsContact C-CA 3.44Å; V973-F995 VanDerWaalsContact N-N 3.16Å; V973-K996 VanDerWaalsContact N-CA 3.31Å; V973-K996 PolarHBondContact N-O 3.24Å; V973-Y997 HydrophobicContact CG1-CD2 4.22Å; V973-Y997 HydrophobicContact CG1-CG 4.5Å; V973-Y997 HydrophobicContact CG2-CD2 4.41Å; V973-V998 HydrophobicContact CB-CG2 3.79Å; V973-V998 HydrophobicContact CG1-CB 4.05Å; V973-V998 HydrophobicContact CG1-CG2 3.14Å; V973-V998 WeakPolarHBondContact O-CA 3.5Å; V973-V998 WeakPolarHBondContact O-CB 3.29Å; V973-V998 WeakPolarHBondContact O-CG2 3.05Å; V973-V998 PolarHBondContact O-N 3.14Å
974	Y	43.8	Very low	45	Very low	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-122.4	-97.7	146.6	-58.7	161.4	0	0	0	119.3	L822 C865 Y869 F873 F995 K996 Y997 V998 V999 W1028	L822-Y974 HydrophobicContact CD1-CE2 3.84Å; C865-Y974 HydrophobicContact CB-CE1 4.37Å; C865-Y974 PolarHBondContact O-OH 3.46Å; Y869-Y974 VanDerWaalsContact CB-OH 3.32Å; Y869-Y974 WeakPolarHBondContact CB-OH 3.37Å; Y869-Y974 AromaticContact CD2-CE2 3.59Å; Y869-Y974 HydrophobicContact CD2-CE2 3.59Å; Y869-Y974 AromaticContact CD2-CZ 3.65Å; Y869-Y974 VanDerWaalsContact CD2-OH 3.25Å; Y869-Y974 WeakPolarHBondContact CD2-OH 3.19Å; Y869-Y974 AromaticContact CE2-CE2 3.88Å; Y869-Y974 HydrophobicContact CE2-CE2 3.88Å; F873-Y974 HydrophobicContact CD2-CE1 4.29Å; Y974-F995 WeakPolarHBondContact CB-O 3.42Å; Y974-F995 HydrophobicContact CD1-CB 3.72Å; Y974-F995 AromaticContact CD1-CD1 3.67Å; Y974-F995 HydrophobicContact CD1-CD1 3.67Å; Y974-F995 HydrophobicContact CD1-CE1 4.24Å; Y974-F995 AromaticContact CD1-CG 3.83Å; Y974-F995 HydrophobicContact CD1-CG 3.83Å; Y974-F995 HydrophobicContact CD2-CB 4.48Å; Y974-F995 AromaticContact CD2-CD1 3.63Å; Y974-F995 HydrophobicContact CD2-CD1 3.63Å; Y974-F995 HydrophobicContact CD2-CE1 4.18Å; Y974-F995 HydrophobicContact CD2-CG 4.46Å; Y974-F995 HydrophobicContact CE1-CB 4.24Å; Y974-F995 AromaticContact CE1-CD1 3.44Å; Y974-F995 HydrophobicContact CE1-CD1 3.44Å; Y974-F995 VanDerWaalsContact CE1-CD1 3.44Å; Y974-F995 HydrophobicContact CE1-CD2 4.28Å; Y974-F995 AromaticContact CE1-CE1 3.52Å; Y974-F995 HydrophobicContact CE1-CE1 3.52Å; Y974-F995 HydrophobicContact CE1-CE2 4.34Å; Y974-F995 AromaticContact CE1-CG 3.83Å; Y974-F995 HydrophobicContact CE1-CG 3.83Å; Y974-F995 AromaticContact CE1-CZ 3.94Å; Y974-F995 HydrophobicContact CE1-CZ 3.94Å; Y974-F995 AromaticContact CE2-CD1 3.38Å; Y974-F995 HydrophobicContact CE2-CD1 3.38Å; Y974-F995 AromaticContact CE2-CE1 3.43Å; Y974-F995 HydrophobicContact CE2-CE1 3.43Å; Y974-F995 VanDerWaalsContact CE2-CE1 3.43Å; Y974-F995 HydrophobicContact CE2-CG 4.45Å; Y974-F995 HydrophobicContact CG-CB 3.87Å; Y974-F995 AromaticContact CG-CD1 3.78Å; Y974-F995 HydrophobicContact CG-CD1 3.78Å; Y974-F995 HydrophobicContact CG-CG 4.17Å; Y974-F995 AromaticContact CZ-CD1 3.29Å; Y974-F995 AromaticContact CZ-CE1 3.05Å; Y974-F995 AromaticContact CZ-CZ 3.74Å; Y974-F995 VanDerWaalsContact N-CA 3.32Å; Y974-F995 PolarHBondContact N-O 3.32Å; Y974-F995 WeakPolarHBondContact OH-CE1 3.42Å; Y974-F995 WeakPolarHBondContact OH-CZ 3.45Å; Y974-K996 VanDerWaalsContact CA-CA 3.43Å; Y974-K996 CarbonylContact O-C 3.3Å; Y974-Y997 CarbonylContact O-C 2.92Å; Y974-Y997 WeakPolarHBondContact O-CA 3.34Å; Y974-Y997 PolarHBondContact O-N 3.34Å; Y974-V998 HydrophobicContact CD2-CB 4.4Å; Y974-V999 HydrophobicContact CD1-CG2 4.42Å; Y974-V999 HydrophobicContact CD2-CB 3.97Å; Y974-V999 HydrophobicContact CD2-CG2 3.28Å; Y974-V999 HydrophobicContact CE2-CG2 3.61Å; Y974-V999 HydrophobicContact CG-CB 4.27Å; Y974-V999 HydrophobicContact CG-CG2 3.74Å; Y974-W1028 AromaticContact CD1-CD2 3.63Å; Y974-W1028 HydrophobicContact CD1-CD2 3.63Å; Y974-W1028 AromaticContact CD1-CE2 3.72Å; Y974-W1028 AromaticContact CD1-CE3 3.49Å; Y974-W1028 HydrophobicContact CD1-CE3 3.49Å; Y974-W1028 VanDerWaalsContact CD1-CE3 3.49Å; Y974-W1028 AromaticContact CD1-CH2 3.57Å; Y974-W1028 HydrophobicContact CD1-CH2 3.57Å; Y974-W1028 AromaticContact CD1-CZ2 3.7Å; Y974-W1028 HydrophobicContact CD1-CZ2 3.7Å; Y974-W1028 AromaticContact CD1-CZ3 3.46Å; Y974-W1028 HydrophobicContact CD1-CZ3 3.46Å; Y974-W1028 VanDerWaalsContact CD1-CZ3 3.46Å; Y974-W1028 AromaticContact CE1-CE3 3.97Å; Y974-W1028 HydrophobicContact CE1-CE3 3.97Å; Y974-W1028 HydrophobicContact CE1-CH2 4.1Å; Y974-W1028 AromaticContact CE1-CZ3 3.73Å; Y974-W1028 HydrophobicContact CE1-CZ3 3.73Å; Y974-W1028 HydrophobicContact CG-CD2 4.18Å; Y974-W1028 HydrophobicContact CG-CE3 4.42Å; Y974-W1028 HydrophobicContact CG-CZ2 4.47Å
975	T	41.3	Very low	43.8	Very low	1 Å²	1	65.4 Å²	65.4	1%	0.006	32%	0.324	C	S	.	.			trans	-168.7	146.8	162.6	-16	0	0	0	0	122.2	I1000 W1028 F1029 F1061 V1065	T975-I1000 HydrophobicContact CG2-CD1 3.38Å; T975-I1000 HydrophobicContact CG2-CG1 4.31Å; T975-I1000 WeakPolarHBondContact OG1-CD1 3.45Å; T975-I1000 WeakPolarHBondContact OG1-CG1 3.24Å; T975-W1028 PolarHBondContact O-NE1 2.95Å; T975-F1029 VanDerWaalsContact CB-CZ 3.45Å; T975-F1029 HydrophobicContact CG2-CE1 3.77Å; T975-F1029 HydrophobicContact CG2-CE2 3.62Å; T975-F1029 HydrophobicContact CG2-CZ 3.13Å; T975-F1061 HydrophobicContact CG2-CZ 4.06Å; T975-V1065 HydrophobicContact CG2-CG1 4.38Å; T975-V1065 HydrophobicContact CG2-CG2 4.22Å
976	V	44.8	Very low	42.2	Very low	4 Å²	4	75.7 Å²	75.7	2%	0.024	36%	0.36	C	S	.	.			trans	-160.6	138.2	176.6	-173.6	0	0	0	0	122.4	K996 L1032 M1055 L1056 F1061 W1062	V976-K996 HydrophobicContact CB-CD 3.73Å; V976-K996 HydrophobicContact CB-CG 4.14Å; V976-K996 HydrophobicContact CG2-CD 3.79Å; V976-K996 HydrophobicContact CG2-CG 3.75Å; V976-L1032 HydrophobicContact CB-CD2 4.42Å; V976-L1032 HydrophobicContact CG1-CD2 4.39Å; V976-L1032 HydrophobicContact CG2-CD2 3.07Å; V976-L1032 HydrophobicContact CG2-CG 4.44Å; V976-M1055 HydrophobicContact CG1-CB 4.44Å; V976-M1055 HydrophobicContact CG2-CE 3.77Å; V976-L1056 HydrophobicContact CG1-CB 3.72Å; V976-L1056 HydrophobicContact CG1-CD2 3.23Å; V976-L1056 HydrophobicContact CG1-CG 3.26Å; V976-F1061 WeakPolarHBondContact O-CE1 3.18Å; V976-W1062 VanDerWaalsContact O-CZ2 3.28Å; V976-W1062 WeakPolarHBondContact O-CZ2 3.15Å; V976-W1062 PolarHBondContact O-NE1 2.97Å; V976-W1062 VanDerWaalsContact O-NE1 3.15Å
977	R	36.4	Very low	40.7	Very low	153 Å²	153	80 Å²	80	58%	0.577	38%	0.382	S	S	*	.			trans	-163.5	148	172	159.8	-168.4	-159.8	109.1	-4.4	117.7	L1056 W1062	R977-L1056 WeakPolarHBondContact O-CD2 3.49Å; R977-W1062 HydrophobicContact CB-CH2 4.06Å; R977-W1062 HydrophobicContact CB-CZ2 3.19Å; R977-W1062 HydrophobicContact CG-CZ2 3.98Å; R977-W1062 VanDerWaalsContact NH1-CD2 3.28Å
978	K	35.5	Very low	39.4	Very low	103 Å²	103	87.1 Å²	87.1	45%	0.448	42%	0.421	S	S	.	.			cis	-159.9	138.2	-9.8	-105	-168.3	73.6	149.5	0	115.6	L1056	K978-L1056 WeakPolarHBondContact CG-O 3.3Å
979	Y	35.3	Very low	38.4	Very low	154 Å²	154	92.1 Å²	92.1	60%	0.604	45%	0.447	S	S	*	.			trans	72.6	124.3	146.3	-91.7	-142.4	0	0	0	125
980	R	31.7	Very low	37.5	Very low	220 Å²	220	97.8 Å²	97.8	83%	0.83	47%	0.468	S	S	*	.			trans	168	165	131.4	-91	-170.2	167.7	165.8	-3.5	108.9
981	T	32.3	Very low	36.6	Very low	109 Å²	109	100.8 Å²	100.8	67%	0.669	49%	0.493	S	S	*	.			cis	-165.4	145.8	-29.8	-93.3	0	0	0	0	111
982	L	34.2	Very low	35.8	Very low	159 Å²	159	101.3 Å²	101.3	83%	0.832	50%	0.496	S	S	*	.			trans	67	141.1	169.6	-114.4	72.5	0	0	0	120.8
983	S	36.3	Very low	35.4	Very low	103 Å²	103	101.7 Å²	101.7	72%	0.72	50%	0.498	S	S	*	.			trans	48.7	146.7	153.2	-95	0	0	0	0	122.1
984	L	29.4	Very low	34.8	Very low	148 Å²	148	101.9 Å²	101.9	78%	0.775	50%	0.499	S	S	*	.			cis	-165.3	157	-27	-129.8	170.8	0	0	0	107.6
985	C	29.7	Very low	34.8	Very low	98 Å²	98	101.9 Å²	101.9	66%	0.662	50%	0.499	S	S	*	.			trans	67.5	120.4	165.2	-86.1	0	0	0	0	123.1
986	R	29	Very low	35.2	Very low	225 Å²	225	101.9 Å²	101.9	85%	0.849	50%	0.499	S	S	*	.			trans	79.6	118.9	135.3	-63	179.2	-176	-162.4	-1	122.5
987	L	29.8	Very low	36.1	Very low	154 Å²	154	101.7 Å²	101.7	81%	0.806	50%	0.498	S	S	*	.			trans	23.7	102.4	145.3	-79.6	65.8	0	0	0	119.2
988	L	30.2	Very low	37.9	Very low	171 Å²	171	94.4 Å²	94.4	90%	0.895	47%	0.47	S	S	*	.			trans	-179.1	26.9	134.5	-103.5	164.4	0	0	0	113.3
989	L	33.1	Very low	39.8	Very low	106 Å²	106	89.5 Å²	89.5	56%	0.555	45%	0.449	S	S	*	.			trans	-124.9	59.6	-163.8	-149.6	77.9	0	0	0	113.2
990	Y	36.5	Very low	42	Very low	145 Å²	145	82.9 Å²	82.9	57%	0.569	42%	0.424	S	S	*	.			trans	-124.2	30.8	-178.5	-72.5	-109	0	0	0	111.7	I963 G964 G965	I963-Y990 HydrophobicContact CB-CD1 3.77Å; I963-Y990 HydrophobicContact CB-CE1 3.52Å; I963-Y990 HydrophobicContact CD1-CE1 3.93Å; I963-Y990 HydrophobicContact CG1-CE1 4.06Å; I963-Y990 HydrophobicContact CG2-CD1 3.51Å; I963-Y990 HydrophobicContact CG2-CE1 3.8Å; G964-Y990 CarbonylContact O-C 3.49Å; G964-Y990 VanDerWaalsContact O-CA 3.24Å; G964-Y990 WeakPolarHBondContact O-CA 3.47Å; G965-Y990 WeakPolarHBondContact CA-O 3.41Å
991	A	33.3	Very low	44.5	Very low	64 Å²	64	72.4 Å²	72.4	53%	0.529	38%	0.384	S	S	.	.			trans	-110.7	14.5	179.6	0	0	0	0	0	113	G964 L966 Y967	G964-A991 PolarHBondContact O-N 3.06Å; L966-A991 CarbonylContact C-O 3.19Å; L966-A991 WeakPolarHBondContact CA-O 3.29Å; L966-A991 PolarHBondContact N-O 3.39Å; Y967-A991 PolarHBondContact N-O 2.66Å
992	V	33.6	Very low	47.2	Very low	11 Å²	11	67.3 Å²	67.3	7%	0.067	35%	0.353	C	S	.	.			trans	-122.1	0	-168.6	-84.5	0	0	0	0	120.3	G964 G965 L966 Y967 M968 M1051	G964-V992 VanDerWaalsContact C-N 3.34Å; G964-V992 CarbonylContact C-O 3.53Å; G964-V992 WeakPolarHBondContact CA-O 3.35Å; G964-V992 WeakPolarHBondContact O-CA 3.33Å; G964-V992 VanDerWaalsContact O-CG2 3.25Å; G964-V992 WeakPolarHBondContact O-CG2 3.48Å; G964-V992 PolarHBondContact O-N 3.21Å; G965-V992 VanDerWaalsContact C-C 3.4Å; G965-V992 PolarHBondContact N-O 3.22Å; L966-V992 VanDerWaalsContact N-CA 3.27Å; Y967-V992 CarbonylContact C-O 3.42Å; Y967-V992 VanDerWaalsContact CA-C 3.42Å; Y967-V992 VanDerWaalsContact CA-CA 3.43Å; Y967-V992 WeakPolarHBondContact O-CG1 3.47Å; M968-V992 VanDerWaalsContact CA-O 3.27Å; M968-V992 WeakPolarHBondContact CA-O 3.49Å; M968-V992 VanDerWaalsContact CB-O 3.27Å; M968-V992 WeakPolarHBondContact CB-O 3.05Å; M968-V992 PolarHBondContact N-O 2.89Å; V992-M1051 HydrophobicContact CB-CE 3.57Å; V992-M1051 HydrophobicContact CB-SD 3.71Å; V992-M1051 HydrophobicContact CG1-CE 3.82Å; V992-M1051 HydrophobicContact CG1-CG 4.03Å; V992-M1051 HydrophobicContact CG1-SD 3.47Å; V992-M1051 WeakPolarHBondContact CG1-SD 3.45Å; V992-M1051 HydrophobicContact CG2-CE 3.98Å; V992-M1051 HydrophobicContact CG2-SD 3.69Å
993	L	36.2	Very low	49.8	Very low	7 Å²	7	59.7 Å²	59.7	4%	0.037	31%	0.313	C	S	.	.				0	0	0	-46.4	178.3	0	0	0	129.4	E955 V957 G965 L966 Y967 M968 L969 G970 N971	E955-L993 HydrophobicContact CG-CD1 3.77Å; V957-L993 HydrophobicContact CG2-CD2 4.41Å; G965-L993 VanDerWaalsContact C-CG 3.5Å; G965-L993 VanDerWaalsContact C-N 3.31Å; G965-L993 WeakPolarHBondContact O-CB 3.5Å; G965-L993 WeakPolarHBondContact O-CD1 2.97Å; G965-L993 WeakPolarHBondContact O-CG 3.37Å; L966-L993 WeakPolarHBondContact O-CA 3.48Å; L966-L993 PolarHBondContact O-N 3.25Å; Y967-L993 VanDerWaalsContact C-CA 3.45Å; Y967-L993 CarbonylContact C-O 3.22Å; Y967-L993 WeakPolarHBondContact CA-O 3.3Å; M968-L993 CarbonylContact C-O 3.31Å; M968-L993 WeakPolarHBondContact CA-O 3.28Å; M968-L993 HydrophobicContact CB-CD2 4.03Å; M968-L993 HydrophobicContact CE-CD2 3.83Å; M968-L993 PolarHBondContact N-O 2.86Å; M968-L993 CarbonylContact O-C 3.53Å; M968-L993 VanDerWaalsContact O-C 3.23Å; L969-L993 HydrophobicContact CB-CB 3.52Å; L969-L993 HydrophobicContact CB-CD1 4.06Å; L969-L993 HydrophobicContact CB-CD2 3.9Å; L969-L993 HydrophobicContact CB-CG 3.97Å; L969-L993 HydrophobicContact CD2-CB 4.23Å; L969-L993 HydrophobicContact CD2-CD1 3.74Å; L969-L993 HydrophobicContact CG-CB 4.34Å; L969-L993 VanDerWaalsContact N-CG 3.26Å; L969-L993 PolarHBondContact N-O 3.43Å; L969-L993 WeakPolarHBondContact O-CA 3.22Å; L969-L993 WeakPolarHBondContact O-CB 3.09Å; G970-L993 CarbonylContact C-O 3.57Å; G970-L993 WeakPolarHBondContact CA-O 3.17Å; N971-L993 CarbonylContact C-O 3.23Å; N971-L993 VanDerWaalsContact C-O 3.3Å; N971-L993 WeakPolarHBondContact CA-O 3.16Å; N971-L993 WeakPolarHBondContact CB-O 3.45Å; N971-L993 PolarHBondContact N-O 3.36Å
994	F	39	Very low	52.4	Low	5 Å²	5	57 Å²	57	2%	0.022	29%	0.29	C	S	.	.	B	Isolated β-bridge		0	-5.3	0	-79.4	-54.5	0	0	0	126.5	L860 F929 K933 M968 L969 G970 N971 S972 V973	L860-F994 HydrophobicContact CD1-CD2 3.52Å; L860-F994 HydrophobicContact CD1-CE2 3.96Å; L860-F994 HydrophobicContact CD1-CG 4.5Å; L860-F994 HydrophobicContact CD2-CB 3.59Å; L860-F994 HydrophobicContact CD2-CD2 3.58Å; L860-F994 HydrophobicContact CD2-CE2 4.34Å; L860-F994 HydrophobicContact CD2-CG 3.79Å; L860-F994 HydrophobicContact CG-CB 3.88Å; L860-F994 HydrophobicContact CG-CD2 3.64Å; L860-F994 HydrophobicContact CG-CE2 4.5Å; L860-F994 HydrophobicContact CG-CG 4.18Å; F929-F994 HydrophobicContact CD2-CE1 4.33Å; F929-F994 AromaticContact CD2-CE2 3.98Å; F929-F994 HydrophobicContact CD2-CE2 3.98Å; F929-F994 AromaticContact CD2-CZ 3.68Å; F929-F994 HydrophobicContact CD2-CZ 3.68Å; F929-F994 HydrophobicContact CE2-CD2 4.34Å; F929-F994 HydrophobicContact CE2-CE1 4.4Å; F929-F994 AromaticContact CE2-CE2 3.34Å; F929-F994 HydrophobicContact CE2-CE2 3.34Å; F929-F994 AromaticContact CE2-CZ 3.36Å; F929-F994 HydrophobicContact CE2-CZ 3.36Å; F929-F994 HydrophobicContact CZ-CE2 4.19Å; F929-F994 HydrophobicContact CZ-CZ 4.12Å; K933-F994 HydrophobicContact CB-CZ 4.38Å; M968-F994 PolarHBondContact O-N 2.99Å; L969-F994 HydrophobicContact CB-CD1 4.02Å; L969-F994 HydrophobicContact CB-CD2 4.49Å; L969-F994 HydrophobicContact CB-CE1 4.4Å; L969-F994 HydrophobicContact CB-CG 4.08Å; L969-F994 HydrophobicContact CD1-CD1 3.73Å; L969-F994 HydrophobicContact CD1-CE1 3.23Å; L969-F994 HydrophobicContact CD1-CE2 4.09Å; L969-F994 HydrophobicContact CD1-CG 4.37Å; L969-F994 HydrophobicContact CD1-CZ 3.44Å; L969-F994 VanDerWaalsContact CD1-CZ 3.44Å; L969-F994 HydrophobicContact CD2-CD2 4.47Å; L969-F994 HydrophobicContact CD2-CE2 4.12Å; L969-F994 HydrophobicContact CD2-CZ 4.25Å; L969-F994 HydrophobicContact CG-CD1 3.58Å; L969-F994 HydrophobicContact CG-CD2 3.77Å; L969-F994 HydrophobicContact CG-CE1 3.5Å; L969-F994 HydrophobicContact CG-CE2 3.64Å; L969-F994 HydrophobicContact CG-CG 3.73Å; L969-F994 HydrophobicContact CG-CZ 3.54Å; L969-F994 WeakPolarHBondContact O-CD2 3.48Å; L969-F994 WeakPolarHBondContact O-CE2 3.49Å; L969-F994 WeakPolarHBondContact O-CG 2.97Å; G970-F994 VanDerWaalsContact N-CD2 3.27Å; G970-F994 CarbonylContact O-C 3.51Å; G970-F994 WeakPolarHBondContact O-CA 3.44Å; G970-F994 WeakPolarHBondContact O-CB 3.3Å; N971-F994 VanDerWaalsContact N-C 3.3Å; S972-F994 CarbonylContact C-O 3.56Å; S972-F994 VanDerWaalsContact C-O 3.24Å; V973-F994 VanDerWaalsContact CA-O 3.24Å; V973-F994 WeakPolarHBondContact CA-O 3.48Å; V973-F994 WeakPolarHBondContact CB-O 3.17Å; V973-F994 HydrophobicContact CG2-CB 4.39Å; V973-F994 HydrophobicContact CG2-CD1 3.62Å; V973-F994 HydrophobicContact CG2-CE1 4.26Å; V973-F994 HydrophobicContact CG2-CG 4.38Å; V973-F994 WeakPolarHBondContact CG2-O 3.37Å; V973-F994 PolarHBondContact N-O 2.96Å
995	F	42.7	Very low	55.3	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.			trans	-93.3	59.4	146.2	-60.8	-62.3	0	0	0	123.8	L822 F861 C865 I866 G970 N971 V973 Y974	L822-F995 HydrophobicContact CD1-CE1 4.23Å; F861-F995 HydrophobicContact CB-CD2 4.3Å; F861-F995 HydrophobicContact CB-CE1 4.1Å; F861-F995 HydrophobicContact CB-CE2 3.38Å; F861-F995 HydrophobicContact CB-CZ 3.3Å; F861-F995 AromaticContact CD1-CD1 3.31Å; F861-F995 HydrophobicContact CD1-CD1 3.31Å; F861-F995 AromaticContact CD1-CD2 3.56Å; F861-F995 HydrophobicContact CD1-CD2 3.56Å; F861-F995 AromaticContact CD1-CE1 3.13Å; F861-F995 HydrophobicContact CD1-CE1 3.13Å; F861-F995 AromaticContact CD1-CE2 3.39Å; F861-F995 HydrophobicContact CD1-CE2 3.39Å; F861-F995 AromaticContact CD1-CG 3.54Å; F861-F995 HydrophobicContact CD1-CG 3.54Å; F861-F995 AromaticContact CD1-CZ 3.23Å; F861-F995 HydrophobicContact CD1-CZ 3.23Å; F861-F995 AromaticContact CD2-CE1 3.79Å; F861-F995 HydrophobicContact CD2-CE1 3.79Å; F861-F995 AromaticContact CD2-CZ 3.8Å; F861-F995 HydrophobicContact CD2-CZ 3.8Å; F861-F995 AromaticContact CE1-CD1 3.16Å; F861-F995 HydrophobicContact CE1-CD1 3.16Å; F861-F995 HydrophobicContact CE1-CD2 4.22Å; F861-F995 AromaticContact CE1-CE1 3.25Å; F861-F995 HydrophobicContact CE1-CE1 3.25Å; F861-F995 HydrophobicContact CE1-CE2 4.29Å; F861-F995 AromaticContact CE1-CG 3.7Å; F861-F995 HydrophobicContact CE1-CG 3.7Å; F861-F995 AromaticContact CE1-CZ 3.89Å; F861-F995 HydrophobicContact CE1-CZ 3.89Å; F861-F995 AromaticContact CE2-CE1 3.89Å; F861-F995 HydrophobicContact CE2-CE1 3.89Å; F861-F995 HydrophobicContact CE2-CZ 4.38Å; F861-F995 HydrophobicContact CG-CD1 4.09Å; F861-F995 HydrophobicContact CG-CD2 4.22Å; F861-F995 AromaticContact CG-CE1 3.41Å; F861-F995 HydrophobicContact CG-CE1 3.41Å; F861-F995 VanDerWaalsContact CG-CE1 3.41Å; F861-F995 AromaticContact CG-CE2 3.57Å; F861-F995 HydrophobicContact CG-CE2 3.57Å; F861-F995 HydrophobicContact CG-CG 4.47Å; F861-F995 AromaticContact CG-CZ 3.16Å; F861-F995 HydrophobicContact CG-CZ 3.16Å; F861-F995 AromaticContact CZ-CD1 3.84Å; F861-F995 HydrophobicContact CZ-CD1 3.84Å; F861-F995 AromaticContact CZ-CE1 3.64Å; F861-F995 HydrophobicContact CZ-CE1 3.64Å; F861-F995 HydrophobicContact CZ-CZ 4.41Å; C865-F995 HydrophobicContact CB-CD2 3.71Å; C865-F995 HydrophobicContact CB-CE2 3.22Å; C865-F995 HydrophobicContact CB-CZ 3.88Å; I866-F995 HydrophobicContact CG1-CZ 4.14Å; G970-F995 PolarHBondContact O-N 2.95Å; N971-F995 CarbonylContact O-C 3.32Å; V973-F995 VanDerWaalsContact C-CA 3.44Å; V973-F995 VanDerWaalsContact N-N 3.16Å; Y974-F995 WeakPolarHBondContact CB-O 3.42Å; Y974-F995 HydrophobicContact CD1-CB 3.72Å; Y974-F995 AromaticContact CD1-CD1 3.67Å; Y974-F995 HydrophobicContact CD1-CD1 3.67Å; Y974-F995 HydrophobicContact CD1-CE1 4.24Å; Y974-F995 AromaticContact CD1-CG 3.83Å; Y974-F995 HydrophobicContact CD1-CG 3.83Å; Y974-F995 HydrophobicContact CD2-CB 4.48Å; Y974-F995 AromaticContact CD2-CD1 3.63Å; Y974-F995 HydrophobicContact CD2-CD1 3.63Å; Y974-F995 HydrophobicContact CD2-CE1 4.18Å; Y974-F995 HydrophobicContact CD2-CG 4.46Å; Y974-F995 HydrophobicContact CE1-CB 4.24Å; Y974-F995 AromaticContact CE1-CD1 3.44Å; Y974-F995 HydrophobicContact CE1-CD1 3.44Å; Y974-F995 VanDerWaalsContact CE1-CD1 3.44Å; Y974-F995 HydrophobicContact CE1-CD2 4.28Å; Y974-F995 AromaticContact CE1-CE1 3.52Å; Y974-F995 HydrophobicContact CE1-CE1 3.52Å; Y974-F995 HydrophobicContact CE1-CE2 4.34Å; Y974-F995 AromaticContact CE1-CG 3.83Å; Y974-F995 HydrophobicContact CE1-CG 3.83Å; Y974-F995 AromaticContact CE1-CZ 3.94Å; Y974-F995 HydrophobicContact CE1-CZ 3.94Å; Y974-F995 AromaticContact CE2-CD1 3.38Å; Y974-F995 HydrophobicContact CE2-CD1 3.38Å; Y974-F995 AromaticContact CE2-CE1 3.43Å; Y974-F995 HydrophobicContact CE2-CE1 3.43Å; Y974-F995 VanDerWaalsContact CE2-CE1 3.43Å; Y974-F995 HydrophobicContact CE2-CG 4.45Å; Y974-F995 HydrophobicContact CG-CB 3.87Å; Y974-F995 AromaticContact CG-CD1 3.78Å; Y974-F995 HydrophobicContact CG-CD1 3.78Å; Y974-F995 HydrophobicContact CG-CG 4.17Å; Y974-F995 AromaticContact CZ-CD1 3.29Å; Y974-F995 AromaticContact CZ-CE1 3.05Å; Y974-F995 AromaticContact CZ-CZ 3.74Å; Y974-F995 VanDerWaalsContact N-CA 3.32Å; Y974-F995 PolarHBondContact N-O 3.32Å; Y974-F995 WeakPolarHBondContact OH-CE1 3.42Å; Y974-F995 WeakPolarHBondContact OH-CZ 3.45Å
996	K	50.5	Low	58.2	Low	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-124.6	98.2	136.2	-51.5	160.3	-72	155.1	0	119.2	M968 N971 S972 V973 Y974 V976 M1055 F1061	M968-K996 PolarHBondContact SD-NZ 2.79Å; M968-K996 VanDerWaalsContact SD-NZ 3.43Å; N971-K996 WeakPolarHBondContact O-CE 3.47Å; N971-K996 VanDerWaalsContact O-CG 3.32Å; N971-K996 WeakPolarHBondContact O-CG 3.47Å; N971-K996 PolarHBondContact O-N 3.15Å; S972-K996 CarbonylContact C-O 3.06Å; S972-K996 WeakPolarHBondContact CA-O 3.4Å; S972-K996 VanDerWaalsContact N-N 3.14Å; S972-K996 WeakPolarHBondContact OG-CE 3.24Å; S972-K996 PolarHBondContact OG-NZ 3.38Å; S972-K996 VanDerWaalsContact OG-NZ 3.08Å; V973-K996 VanDerWaalsContact N-CA 3.31Å; V973-K996 PolarHBondContact N-O 3.24Å; Y974-K996 VanDerWaalsContact CA-CA 3.43Å; Y974-K996 CarbonylContact O-C 3.3Å; V976-K996 HydrophobicContact CB-CD 3.73Å; V976-K996 HydrophobicContact CB-CG 4.14Å; V976-K996 HydrophobicContact CG2-CD 3.79Å; V976-K996 HydrophobicContact CG2-CG 3.75Å; K996-M1055 HydrophobicContact CD-CB 3.8Å; K996-M1055 HydrophobicContact CD-CE 3.58Å; K996-M1055 HydrophobicContact CD-CG 4.47Å; K996-M1055 HydrophobicContact CG-CE 3.62Å; K996-M1055 PolarHBondContact NZ-O 2.95Å; K996-F1061 HydrophobicContact CB-CD2 3.66Å; K996-F1061 HydrophobicContact CB-CE1 4.43Å; K996-F1061 HydrophobicContact CB-CE2 3.04Å; K996-F1061 HydrophobicContact CB-CZ 3.46Å; K996-F1061 VanDerWaalsContact CB-CZ 3.46Å; K996-F1061 HydrophobicContact CD-CD1 3.95Å; K996-F1061 HydrophobicContact CD-CD2 3.78Å; K996-F1061 HydrophobicContact CD-CE1 3.87Å; K996-F1061 HydrophobicContact CD-CE2 3.73Å; K996-F1061 HydrophobicContact CD-CG 3.92Å; K996-F1061 HydrophobicContact CD-CZ 3.72Å; K996-F1061 HydrophobicContact CG-CD2 4.38Å; K996-F1061 HydrophobicContact CG-CE2 3.94Å; K996-F1061 HydrophobicContact CG-CZ 3.98Å; K996-F1061 WeakPolarHBondContact O-CE2 3.03Å
997	Y	64.3	Low	61.1	Low	1 Å²	1	35 Å²	35	0%	0.004	18%	0.184	C	C	.	.	S	Bend	trans	164.7	-49.4	169.6	-49.2	-43.4	0	0	0	117.5	S932 S972 V973 Y974 V999 I1000 T1001 F1061 G1064 V1065 V1068	S932-Y997 VanDerWaalsContact OG-CD2 3.24Å; S932-Y997 WeakPolarHBondContact OG-CD2 3.14Å; S932-Y997 VanDerWaalsContact OG-CE2 3.31Å; S932-Y997 WeakPolarHBondContact OG-CE2 3.27Å; S972-Y997 WeakPolarHBondContact O-CD2 3.32Å; S972-Y997 WeakPolarHBondContact O-CE2 3.44Å; V973-Y997 HydrophobicContact CG1-CD2 4.22Å; V973-Y997 HydrophobicContact CG1-CG 4.5Å; V973-Y997 HydrophobicContact CG2-CD2 4.41Å; Y974-Y997 CarbonylContact O-C 2.92Å; Y974-Y997 WeakPolarHBondContact O-CA 3.34Å; Y974-Y997 PolarHBondContact O-N 3.34Å; Y997-V999 PolarHBondContact O-N 2.85Å; Y997-I1000 WeakPolarHBondContact O-CB 3.44Å; Y997-I1000 PolarHBondContact O-N 3.11Å; Y997-T1001 PolarHBondContact O-N 3.19Å; Y997-F1061 HydrophobicContact CD1-CD2 4.45Å; Y997-F1061 AromaticContact CD1-CE2 3.95Å; Y997-F1061 HydrophobicContact CD1-CE2 3.95Å; Y997-F1061 AromaticContact CE1-CD2 3.54Å; Y997-F1061 HydrophobicContact CE1-CD2 3.54Å; Y997-F1061 AromaticContact CE1-CE2 3.46Å; Y997-F1061 HydrophobicContact CE1-CE2 3.46Å; Y997-F1061 VanDerWaalsContact CE1-CE2 3.46Å; Y997-F1061 AromaticContact CZ-CD2 4Å; Y997-G1064 WeakPolarHBondContact CD1-O 3.2Å; Y997-V1065 VanDerWaalsContact CE1-N 3.25Å; Y997-V1068 HydrophobicContact CD1-CB 4.44Å; Y997-V1068 HydrophobicContact CD1-CG2 4.5Å; Y997-V1068 HydrophobicContact CD2-CB 4.05Å; Y997-V1068 HydrophobicContact CD2-CG1 4.13Å; Y997-V1068 HydrophobicContact CD2-CG2 3.86Å; Y997-V1068 HydrophobicContact CE2-CG2 3.89Å; Y997-V1068 HydrophobicContact CG-CB 4.03Å; Y997-V1068 HydrophobicContact CG-CG1 4.33Å; Y997-V1068 HydrophobicContact CG-CG2 4.22Å
998	V	72.6	Confident	64	Low	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-51.8	-166.8	176.4	0	0	0	0	112.1	L822 L928 V973 Y974 I1000 T1001 V1002	L822-V998 HydrophobicContact CD1-CB 4.31Å; L822-V998 HydrophobicContact CD1-CG1 4.14Å; L822-V998 HydrophobicContact CD1-CG2 4.09Å; L928-V998 HydrophobicContact CD1-CG1 4.34Å; L928-V998 HydrophobicContact CD1-CG2 4.01Å; L928-V998 HydrophobicContact CD2-CG2 4.24Å; V973-V998 HydrophobicContact CB-CG2 3.79Å; V973-V998 HydrophobicContact CG1-CB 4.05Å; V973-V998 HydrophobicContact CG1-CG2 3.14Å; V973-V998 WeakPolarHBondContact O-CA 3.5Å; V973-V998 WeakPolarHBondContact O-CB 3.29Å; V973-V998 WeakPolarHBondContact O-CG2 3.05Å; V973-V998 PolarHBondContact O-N 3.14Å; Y974-V998 HydrophobicContact CD2-CB 4.4Å; V998-I1000 CarbonylContact O-C 2.67Å; V998-I1000 PolarHBondContact O-N 3.11Å; V998-I1000 VanDerWaalsContact O-N 3.1Å; V998-T1001 CarbonylContact O-C 3.24Å; V998-T1001 WeakPolarHBondContact O-CA 3.07Å; V998-T1001 WeakPolarHBondContact O-CB 3.32Å; V998-T1001 PolarHBondContact O-N 3.41Å; V998-V1002 HydrophobicContact CG1-CG2 3.73Å; V998-V1002 PolarHBondContact O-N 3.31Å
999	V	76.7	Confident	66.9	Low	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-53.1	-36.4	-177	156.8	0	0	0	0	110.9	Y869 F873 T874 Y974 Y997 C1003	Y869-V999 HydrophobicContact CD2-CG2 4.01Å; Y869-V999 HydrophobicContact CE2-CG2 3.79Å; F873-V999 HydrophobicContact CB-CG2 4.13Å; T874-V999 HydrophobicContact CG2-CG2 4.26Å; Y974-V999 HydrophobicContact CD1-CG2 4.42Å; Y974-V999 HydrophobicContact CD2-CB 3.97Å; Y974-V999 HydrophobicContact CD2-CG2 3.28Å; Y974-V999 HydrophobicContact CE2-CG2 3.61Å; Y974-V999 HydrophobicContact CG-CB 4.27Å; Y974-V999 HydrophobicContact CG-CG2 3.74Å; Y997-V999 PolarHBondContact O-N 2.85Å; V999-C1003 VanDerWaalsContact O-CB 3.25Å; V999-C1003 WeakPolarHBondContact O-CB 3.11Å; V999-C1003 PolarHBondContact O-N 3.1Å; V999-C1003 PolarHBondContact O-SG 2.97Å
1000	I	81.5	Confident	69.5	Low	15 Å²	15	18.7 Å²	18.7	8%	0.077	10%	0.098	C	C	.	.	H	α-helix	trans	-65.2	-52.7	172.4	-61.9	162.3	0	0	0	110.8	T975 Y997 V998 V1002 C1003 L1004 I1025 V1065 P1069	T975-I1000 HydrophobicContact CG2-CD1 3.38Å; T975-I1000 HydrophobicContact CG2-CG1 4.31Å; T975-I1000 WeakPolarHBondContact OG1-CD1 3.45Å; T975-I1000 WeakPolarHBondContact OG1-CG1 3.24Å; Y997-I1000 WeakPolarHBondContact O-CB 3.44Å; Y997-I1000 PolarHBondContact O-N 3.11Å; V998-I1000 CarbonylContact O-C 2.67Å; V998-I1000 PolarHBondContact O-N 3.11Å; V998-I1000 VanDerWaalsContact O-N 3.1Å; I1000-V1002 VanDerWaalsContact C-N 3.27Å; I1000-V1002 PolarHBondContact O-N 2.88Å; I1000-C1003 PolarHBondContact O-N 3.31Å; I1000-L1004 HydrophobicContact CG2-CD1 3.53Å; I1000-L1004 HydrophobicContact CG2-CG 3.94Å; I1000-L1004 VanDerWaalsContact O-CB 3.29Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 VanDerWaalsContact O-CG 3.3Å; I1000-L1004 WeakPolarHBondContact O-CG 3.33Å; I1000-L1004 PolarHBondContact O-N 3.3Å; I1000-I1025 HydrophobicContact CG1-CG2 4.31Å; I1000-V1065 HydrophobicContact CD1-CG1 3.94Å; I1000-P1069 HydrophobicContact CB-CG 4.21Å; I1000-P1069 HydrophobicContact CG2-CB 4.03Å; I1000-P1069 HydrophobicContact CG2-CG 3.95Å
1001	T	84.7	Confident	71.9	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54.9	-43.9	-179.8	-60.8	0	0	0	0	111.7	L928 Y997 V998 K1005 P1069 T1072 L1073	L928-T1001 HydrophobicContact CD1-CG2 4.27Å; L928-T1001 HydrophobicContact CD2-CG2 4.44Å; Y997-T1001 PolarHBondContact O-N 3.19Å; V998-T1001 CarbonylContact O-C 3.24Å; V998-T1001 WeakPolarHBondContact O-CA 3.07Å; V998-T1001 WeakPolarHBondContact O-CB 3.32Å; V998-T1001 PolarHBondContact O-N 3.41Å; T1001-K1005 WeakPolarHBondContact O-CB 3.48Å; T1001-K1005 PolarHBondContact O-N 2.78Å; T1001-P1069 WeakPolarHBondContact OG1-CA 3.11Å; T1001-P1069 WeakPolarHBondContact OG1-CB 3.14Å; T1001-T1072 HydrophobicContact CG2-CG2 4.29Å; T1001-T1072 VanDerWaalsContact CG2-OG1 3.26Å; T1001-T1072 WeakPolarHBondContact CG2-OG1 3.16Å; T1001-L1073 HydrophobicContact CG2-CD2 4.07Å; T1001-L1073 HydrophobicContact CG2-CG 4.21Å
1002	V	87.4	Confident	74.4	Confident	1 Å²	1	10.6 Å²	10.6	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-69.1	-44.7	178.6	161	0	0	0	0	112	Y814 K818 C821 T874 V998 I1000 K1005 A1006	Y814-V1002 HydrophobicContact CE2-CG1 4.27Å; Y814-V1002 WeakPolarHBondContact CE2-O 3.41Å; Y814-V1002 WeakPolarHBondContact OH-CG1 3.38Å; Y814-V1002 PolarHBondContact OH-O 3.45Å; K818-V1002 HydrophobicContact CB-CG1 3.61Å; K818-V1002 HydrophobicContact CB-CG2 4.43Å; C821-V1002 HydrophobicContact CB-CG2 4.32Å; T874-V1002 HydrophobicContact CG2-CG1 4.06Å; V998-V1002 HydrophobicContact CG1-CG2 3.73Å; V998-V1002 PolarHBondContact O-N 3.31Å; I1000-V1002 VanDerWaalsContact C-N 3.27Å; I1000-V1002 PolarHBondContact O-N 2.88Å; V1002-K1005 WeakPolarHBondContact O-CB 3.44Å; V1002-K1005 PolarHBondContact O-N 2.82Å; V1002-A1006 PolarHBondContact O-N 3.36Å
1003	C	89.5	Confident	77	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.7	-33.7	176.8	-66.6	0	0	0	0	112.6	V999 I1000 A1006 A1007 I1021 I1025	V999-C1003 VanDerWaalsContact O-CB 3.25Å; V999-C1003 WeakPolarHBondContact O-CB 3.11Å; V999-C1003 PolarHBondContact O-N 3.1Å; V999-C1003 PolarHBondContact O-SG 2.97Å; I1000-C1003 PolarHBondContact O-N 3.31Å; C1003-A1006 WeakPolarHBondContact O-CB 3.22Å; C1003-A1006 PolarHBondContact O-N 3Å; C1003-A1007 PolarHBondContact O-N 3.33Å; C1003-I1021 HydrophobicContact CB-CG2 4.35Å; C1003-I1025 HydrophobicContact CB-CD1 3.88Å; C1003-I1025 HydrophobicContact CB-CG1 3.85Å
1004	L	90	Very high	79.5	Confident	47 Å²	47	17.2 Å²	17.2	25%	0.246	9%	0.086	C	C	.	.	H	α-helix	trans	-72.6	-32.5	172.2	-69.6	-179	0	0	0	111.9	I1000 A1007 L1008 W1022 P1069 L1073	I1000-L1004 HydrophobicContact CG2-CD1 3.53Å; I1000-L1004 HydrophobicContact CG2-CG 3.94Å; I1000-L1004 VanDerWaalsContact O-CB 3.29Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 VanDerWaalsContact O-CG 3.3Å; I1000-L1004 WeakPolarHBondContact O-CG 3.33Å; I1000-L1004 PolarHBondContact O-N 3.3Å; L1004-A1007 WeakPolarHBondContact O-CB 2.94Å; L1004-A1007 PolarHBondContact O-N 3.26Å; L1004-L1008 WeakPolarHBondContact O-CG 3.09Å; L1004-L1008 PolarHBondContact O-N 3.18Å; L1004-W1022 HydrophobicContact CD2-CH2 4.15Å; L1004-W1022 HydrophobicContact CD2-CZ3 4.28Å; L1004-P1069 HydrophobicContact CD1-CB 4.35Å; L1004-L1073 HydrophobicContact CB-CD1 3.43Å; L1004-L1073 VanDerWaalsContact CB-CD1 3.43Å; L1004-L1073 HydrophobicContact CD1-CD1 4.22Å; L1004-L1073 HydrophobicContact CG-CD1 4.49Å
1005	K	90.7	Very high	82	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-42.6	168.2	177	56.8	169.2	179.7	0	111.4	T1001 V1002 A1007 L1008 E1009 L1073 D1076	T1001-K1005 WeakPolarHBondContact O-CB 3.48Å; T1001-K1005 PolarHBondContact O-N 2.78Å; V1002-K1005 WeakPolarHBondContact O-CB 3.44Å; V1002-K1005 PolarHBondContact O-N 2.82Å; K1005-A1007 VanDerWaalsContact C-N 3.3Å; K1005-A1007 PolarHBondContact O-N 2.72Å; K1005-L1008 PolarHBondContact O-N 2.89Å; K1005-E1009 HydrophobicContact CD-CG 3.96Å; K1005-E1009 IonicContact NZ-OE1 3.18Å; K1005-E1009 PolarHBondContact NZ-OE1 3.02Å; K1005-E1009 WeakPolarHBondContact O-CG 3.01Å; K1005-E1009 PolarHBondContact O-N 3.3Å; K1005-E1009 VanDerWaalsContact O-N 3.08Å; K1005-L1073 HydrophobicContact CB-CD2 4.08Å; K1005-D1076 WeakPolarHBondContact CD-OD2 3.22Å; K1005-D1076 WeakPolarHBondContact CE-OD2 3.41Å; K1005-D1076 IonicContact NZ-OD1 3.87Å; K1005-D1076 PolarHBondContact NZ-OD1 3.15Å; K1005-D1076 IonicContact NZ-OD2 3.73Å; K1005-D1076 PolarHBondContact NZ-OD2 2.83Å
1006	A	90.8	Very high	84.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-44.1	171.1	0	0	0	0	0	111.7	Y814 P877 I881 V1002 C1003 L1008 E1009 L1010	Y814-A1006 HydrophobicContact CD2-CB 4.44Å; Y814-A1006 HydrophobicContact CE1-CB 4.32Å; Y814-A1006 HydrophobicContact CE2-CB 3.73Å; P877-A1006 HydrophobicContact CB-CB 3.83Å; I881-A1006 HydrophobicContact CD1-CB 4.14Å; V1002-A1006 PolarHBondContact O-N 3.36Å; C1003-A1006 WeakPolarHBondContact O-CB 3.22Å; C1003-A1006 PolarHBondContact O-N 3Å; A1006-L1008 PolarHBondContact O-N 2.89Å; A1006-E1009 PolarHBondContact O-N 3.29Å; A1006-L1010 PolarHBondContact O-N 3.3Å
1007	A	90.9	Very high	86.2	Confident	5 Å²	5	28.4 Å²	28.4	4%	0.041	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-41.1	177.8	0	0	0	0	0	112.9	C1003 L1004 K1005 W1013 I1021	C1003-A1007 PolarHBondContact O-N 3.33Å; L1004-A1007 WeakPolarHBondContact O-CB 2.94Å; L1004-A1007 PolarHBondContact O-N 3.26Å; K1005-A1007 VanDerWaalsContact C-N 3.3Å; K1005-A1007 PolarHBondContact O-N 2.72Å; A1007-W1013 HydrophobicContact CB-CH2 3.65Å; A1007-W1013 HydrophobicContact CB-CZ2 3.78Å; A1007-W1013 WeakPolarHBondContact O-CZ2 3.36Å; A1007-W1013 PolarHBondContact O-NE1 2.87Å; A1007-I1021 HydrophobicContact CB-CD1 3.72Å; A1007-I1021 HydrophobicContact CB-CG2 4.25Å
1008	L	90.7	Very high	87.4	Confident	51 Å²	51	32 Å²	32	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-65.1	-37.7	175	-73	173	0	0	0	112.3	L1004 K1005 A1006 L1073 V1077 R1080	L1004-L1008 WeakPolarHBondContact O-CG 3.09Å; L1004-L1008 PolarHBondContact O-N 3.18Å; K1005-L1008 PolarHBondContact O-N 2.89Å; A1006-L1008 PolarHBondContact O-N 2.89Å; L1008-L1073 HydrophobicContact CD1-CB 4.17Å; L1008-L1073 HydrophobicContact CD1-CD1 4.23Å; L1008-L1073 HydrophobicContact CD1-CD2 4.24Å; L1008-L1073 HydrophobicContact CD1-CG 4.45Å; L1008-V1077 HydrophobicContact CD1-CG2 3.86Å; L1008-V1077 HydrophobicContact CD2-CG2 3.86Å; L1008-R1080 PolarHBondContact O-NE 3.34Å; L1008-R1080 PolarHBondContact O-NH2 3.01Å
1009	E	89.3	Confident	88.4	Confident	31 Å²	31	37 Å²	37	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-86.7	-16.8	-173.2	-66.1	-61.6	163.4	0	0	115.4	K810 W917 K1005 A1006 R1080	K810-E1009 PolarHBondContact NZ-O 3.29Å; W917-E1009 HydrophobicContact CH2-CB 4.42Å; W917-E1009 HydrophobicContact CH2-CG 3.8Å; K1005-E1009 HydrophobicContact CD-CG 3.96Å; K1005-E1009 IonicContact NZ-OE1 3.18Å; K1005-E1009 PolarHBondContact NZ-OE1 3.02Å; K1005-E1009 WeakPolarHBondContact O-CG 3.01Å; K1005-E1009 PolarHBondContact O-N 3.3Å; K1005-E1009 VanDerWaalsContact O-N 3.08Å; A1006-E1009 PolarHBondContact O-N 3.29Å; E1009-R1080 VanDerWaalsContact CD-NH1 3.3Å; E1009-R1080 IonicContact OE1-NH1 3.33Å; E1009-R1080 IonicContact OE2-CZ 2.97Å; E1009-R1080 IonicContact OE2-NH1 2.73Å; E1009-R1080 PolarHBondContact OE2-NH1 3.48Å; E1009-R1080 IonicContact OE2-NH2 3.44Å
1010	L	89.7	Confident	89.1	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	18%	0.18	C	C	.	.			trans	-57.7	140	165.6	-77.6	172.2	0	0	0	110.8	I881 D885 A1006 C1017 I1021	I881-L1010 HydrophobicContact CB-CD2 4.48Å; I881-L1010 HydrophobicContact CG1-CD2 3.76Å; I881-L1010 HydrophobicContact CG1-CG 4.27Å; D885-L1010 HydrophobicContact CB-CD2 3.89Å; A1006-L1010 PolarHBondContact O-N 3.3Å; L1010-C1017 HydrophobicContact CD1-CB 3.59Å; L1010-I1021 HydrophobicContact CD1-CD1 3.63Å
1011	D	86.2	Confident	89.5	Confident	18 Å²	18	37 Å²	37	10%	0.096	18%	0.177	C	C	.	.	S	Bend	trans	-93.7	-44.4	167.1	-83.6	-58.5	0	0	0	110.5	K810 D885 R886 R1084 R1095	K810-D1011 IonicContact NZ-OD2 3.45Å; K810-D1011 PolarHBondContact NZ-OD2 3.14Å; D885-D1011 WeakPolarHBondContact OD1-CA 3.32Å; D885-D1011 PolarHBondContact OD1-N 3.11Å; R886-D1011 WeakPolarHBondContact O-CB 3.44Å; D1011-R1084 IonicContact OD1-CZ 2.67Å; D1011-R1084 IonicContact OD1-NH1 3.78Å; D1011-R1084 IonicContact OD1-NH2 2.77Å; D1011-R1084 PolarHBondContact OD1-NH2 2.97Å; D1011-R1095 VanDerWaalsContact CA-NH1 3.3Å; D1011-R1095 VanDerWaalsContact CB-NH1 3.26Å; D1011-R1095 VanDerWaalsContact O-CZ 3.24Å; D1011-R1095 PolarHBondContact O-NH1 2.87Å; D1011-R1095 PolarHBondContact O-NH2 3.43Å; D1011-R1095 IonicContact OD1-NH1 2.81Å; D1011-R1095 PolarHBondContact OD1-NH1 3.37Å
1012	A	85.4	Confident	89.8	Confident	21 Å²	21	43.6 Å²	43.6	17%	0.174	20%	0.202	C	C	.	.	S	Bend	trans	-103.2	116.9	177	0	0	0	0	0	112.5	D885 R886 T1014	D885-A1012 PolarHBondContact OD1-N 3.23Å; R886-A1012 HydrophobicContact CB-CB 3.94Å; R886-A1012 HydrophobicContact CG-CB 4.34Å; A1012-T1014 PolarHBondContact O-N 3.08Å
1013	W	87.8	Confident	89.9	Confident	122 Å²	122	45.1 Å²	45.1	46%	0.462	22%	0.217	S	C	.	.			trans	-90.1	96.9	175.2	-76.9	67.7	0	0	0	110.4	A1007 H1018	A1007-W1013 HydrophobicContact CB-CH2 3.65Å; A1007-W1013 HydrophobicContact CB-CZ2 3.78Å; A1007-W1013 WeakPolarHBondContact O-CZ2 3.36Å; A1007-W1013 PolarHBondContact O-NE1 2.87Å; W1013-H1018 AromaticContact CE3-CE1 3.25Å; W1013-H1018 AromaticContact CE3-ND1 3.62Å; W1013-H1018 AromaticContact CE3-NE2 3.71Å; W1013-H1018 AromaticContact CZ3-CE1 3.5Å; W1013-H1018 VanDerWaalsContact CZ3-CE1 3.5Å; W1013-H1018 WeakPolarHBondContact CZ3-CE1 3.15Å; W1013-H1018 AromaticContact CZ3-ND1 3.67Å
1014	T	88.8	Confident	89.9	Confident	35 Å²	35	45.3 Å²	45.3	22%	0.215	22%	0.218	C	C	.	.			trans	-92.7	164.5	172.5	72.3	0	0	0	0	111.2	F884 A1012 L1016 C1017 H1018	F884-T1014 HydrophobicContact CB-CG2 4.18Å; A1012-T1014 PolarHBondContact O-N 3.08Å; T1014-L1016 PolarHBondContact O-N 3.45Å; T1014-L1016 PolarHBondContact OG1-N 3.48Å; T1014-C1017 WeakPolarHBondContact O-CB 3.36Å; T1014-C1017 PolarHBondContact O-N 3.26Å; T1014-C1017 VanDerWaalsContact O-N 3.07Å; T1014-C1017 PolarHBondContact OG1-N 2.91Å; T1014-C1017 PolarHBondContact OG1-SG 3.15Å; T1014-H1018 PolarHBondContact O-CD2 3.11Å; T1014-H1018 PolarHBondContact O-N 2.97Å
1015	W	91.9	Very high	89.6	Confident	187 Å²	187	44 Å²	44	71%	0.708	21%	0.211	S	C	*	.	H	α-helix	trans	-61	-30	173.3	75.8	-96.2	0	0	0	112.5	H1018 L1019	W1015-H1018 PolarHBondContact O-N 3.43Å; W1015-L1019 HydrophobicContact CZ3-CD2 4.01Å; W1015-L1019 WeakPolarHBondContact O-CB 3.12Å; W1015-L1019 PolarHBondContact O-N 3.2Å
1016	L	91.3	Very high	89.4	Confident	54 Å²	54	45.2 Å²	45.2	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-71.2	-36.1	173.3	-71.5	164.6	0	0	0	112.1	F884 T1014 L1019 A1020	F884-L1016 HydrophobicContact CD1-CD1 4.11Å; F884-L1016 HydrophobicContact CD2-CB 3.77Å; F884-L1016 HydrophobicContact CD2-CD1 4.28Å; F884-L1016 HydrophobicContact CE1-CD1 3.69Å; F884-L1016 HydrophobicContact CE2-CB 3.85Å; F884-L1016 HydrophobicContact CE2-CD1 3.89Å; F884-L1016 HydrophobicContact CE2-CG 4.37Å; F884-L1016 HydrophobicContact CG-CB 4.3Å; F884-L1016 HydrophobicContact CG-CD1 4.41Å; F884-L1016 HydrophobicContact CZ-CB 4.44Å; F884-L1016 HydrophobicContact CZ-CD1 3.58Å; T1014-L1016 PolarHBondContact O-N 3.45Å; T1014-L1016 PolarHBondContact OG1-N 3.48Å; L1016-L1019 PolarHBondContact O-N 3.5Å; L1016-A1020 WeakPolarHBondContact O-CB 3.33Å; L1016-A1020 PolarHBondContact O-N 2.88Å
1017	C	90.2	Very high	89.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-44.7	170.4	-63.1	0	0	0	0	111.4	L1010 T1014 A1020 I1021	L1010-C1017 HydrophobicContact CD1-CB 3.59Å; T1014-C1017 WeakPolarHBondContact O-CB 3.36Å; T1014-C1017 PolarHBondContact O-N 3.26Å; T1014-C1017 VanDerWaalsContact O-N 3.07Å; T1014-C1017 PolarHBondContact OG1-N 2.91Å; T1014-C1017 PolarHBondContact OG1-SG 3.15Å; C1017-A1020 PolarHBondContact O-N 3.19Å; C1017-I1021 WeakPolarHBondContact O-CD1 2.97Å; C1017-I1021 WeakPolarHBondContact O-CG1 3.08Å; C1017-I1021 PolarHBondContact O-N 3.37Å
1018	H	90.2	Very high	88.3	Confident	77 Å²	77	46.5 Å²	46.5	36%	0.356	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-46.5	173.5	-79.4	-67.1	0	0	0	112.1	W1013 T1014 W1015 A1020 I1021 W1022	W1013-H1018 AromaticContact CE3-CE1 3.25Å; W1013-H1018 AromaticContact CE3-ND1 3.62Å; W1013-H1018 AromaticContact CE3-NE2 3.71Å; W1013-H1018 AromaticContact CZ3-CE1 3.5Å; W1013-H1018 VanDerWaalsContact CZ3-CE1 3.5Å; W1013-H1018 WeakPolarHBondContact CZ3-CE1 3.15Å; W1013-H1018 AromaticContact CZ3-ND1 3.67Å; T1014-H1018 PolarHBondContact O-CD2 3.11Å; T1014-H1018 PolarHBondContact O-N 2.97Å; W1015-H1018 PolarHBondContact O-N 3.43Å; H1018-A1020 VanDerWaalsContact C-N 3.34Å; H1018-A1020 PolarHBondContact O-N 3.05Å; H1018-I1021 PolarHBondContact O-N 3.22Å; H1018-W1022 AromaticContact ND1-CD1 3.86Å; H1018-W1022 AromaticContact ND1-NE1 3.44Å; H1018-W1022 PolarHBondContact ND1-NE1 2.81Å; H1018-W1022 WeakPolarHBondContact O-CB 3.33Å; H1018-W1022 VanDerWaalsContact O-CD1 3.31Å; H1018-W1022 PolarHBondContact O-N 3.15Å
1019	L	92.6	Very high	87.6	Confident	104 Å²	104	47 Å²	47	55%	0.545	24%	0.236	S	C	.	.	H	α-helix	trans	-62.1	-40.9	177.2	-179.3	61.1	0	0	0	111.6	W1015 L1016 G1023	W1015-L1019 HydrophobicContact CZ3-CD2 4.01Å; W1015-L1019 WeakPolarHBondContact O-CB 3.12Å; W1015-L1019 PolarHBondContact O-N 3.2Å; L1016-L1019 PolarHBondContact O-N 3.5Å; L1019-G1023 WeakPolarHBondContact O-CA 3.38Å; L1019-G1023 PolarHBondContact O-N 3.34Å
1020	A	92.2	Very high	87.3	Confident	13 Å²	13	49.7 Å²	49.7	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-44.1	177.3	0	0	0	0	0	112.7	A876 A880 L1016 C1017 H1018 S1024	A876-A1020 HydrophobicContact CB-CB 3.97Å; A880-A1020 HydrophobicContact CB-CB 3.51Å; L1016-A1020 WeakPolarHBondContact O-CB 3.33Å; L1016-A1020 PolarHBondContact O-N 2.88Å; C1017-A1020 PolarHBondContact O-N 3.19Å; H1018-A1020 VanDerWaalsContact C-N 3.34Å; H1018-A1020 PolarHBondContact O-N 3.05Å; A1020-S1024 WeakPolarHBondContact O-CB 3.44Å; A1020-S1024 PolarHBondContact O-N 2.91Å; A1020-S1024 PolarHBondContact O-OG 3.36Å
1021	I	89.4	Confident	86.9	Confident	2 Å²	2	51 Å²	51	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-73	-56.9	-178.1	-70.4	158.4	0	0	0	111.3	C1003 A1007 L1010 C1017 H1018 S1024 I1025	C1003-I1021 HydrophobicContact CB-CG2 4.35Å; A1007-I1021 HydrophobicContact CB-CD1 3.72Å; A1007-I1021 HydrophobicContact CB-CG2 4.25Å; L1010-I1021 HydrophobicContact CD1-CD1 3.63Å; C1017-I1021 WeakPolarHBondContact O-CD1 2.97Å; C1017-I1021 WeakPolarHBondContact O-CG1 3.08Å; C1017-I1021 PolarHBondContact O-N 3.37Å; H1018-I1021 PolarHBondContact O-N 3.22Å; I1021-S1024 PolarHBondContact O-N 3.45Å; I1021-I1025 WeakPolarHBondContact O-CG1 3.42Å; I1021-I1025 PolarHBondContact O-N 3.26Å
1022	W	90.7	Very high	86.2	Confident	139 Å²	139	50.2 Å²	50.2	53%	0.527	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-34	-177.8	-59.7	129.5	0	0	0	111.8	L1004 H1018 I1025 G1026	L1004-W1022 HydrophobicContact CD2-CH2 4.15Å; L1004-W1022 HydrophobicContact CD2-CZ3 4.28Å; H1018-W1022 AromaticContact ND1-CD1 3.86Å; H1018-W1022 AromaticContact ND1-NE1 3.44Å; H1018-W1022 PolarHBondContact ND1-NE1 2.81Å; H1018-W1022 WeakPolarHBondContact O-CB 3.33Å; H1018-W1022 VanDerWaalsContact O-CD1 3.31Å; H1018-W1022 PolarHBondContact O-N 3.15Å; W1022-I1025 HydrophobicContact CE3-CD1 3.91Å; W1022-I1025 HydrophobicContact CZ3-CD1 4.08Å; W1022-I1025 PolarHBondContact O-N 2.92Å; W1022-G1026 PolarHBondContact O-N 3.06Å
1023	G	89	Confident	86	Confident	32 Å²	32	54.9 Å²	54.9	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-67.5	-36.8	173.5	0	0	0	0	0	112.9	L1019 G1026 A1027	L1019-G1023 WeakPolarHBondContact O-CA 3.38Å; L1019-G1023 PolarHBondContact O-N 3.34Å; G1023-G1026 PolarHBondContact O-N 3.2Å; G1023-A1027 WeakPolarHBondContact O-CB 3.42Å; G1023-A1027 PolarHBondContact O-N 2.79Å
1024	S	89.2	Confident	85.7	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-46.4	170.5	-102.1	0	0	0	0	112.4	F873 P877 A1020 I1021 A1027 W1028	F873-S1024 WeakPolarHBondContact O-CB 3.37Å; F873-S1024 PolarHBondContact O-OG 2.79Å; P877-S1024 WeakPolarHBondContact CD-OG 3.36Å; A1020-S1024 WeakPolarHBondContact O-CB 3.44Å; A1020-S1024 PolarHBondContact O-N 2.91Å; A1020-S1024 PolarHBondContact O-OG 3.36Å; I1021-S1024 PolarHBondContact O-N 3.45Å; S1024-A1027 PolarHBondContact O-N 2.57Å; S1024-W1028 PolarHBondContact O-N 3.14Å
1025	I	84.7	Confident	85.2	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.097	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-46.6	177.8	-66.6	166.2	0	0	0	109.9	I1000 C1003 I1021 W1022 W1028 F1029	I1000-I1025 HydrophobicContact CG1-CG2 4.31Å; C1003-I1025 HydrophobicContact CB-CD1 3.88Å; C1003-I1025 HydrophobicContact CB-CG1 3.85Å; I1021-I1025 WeakPolarHBondContact O-CG1 3.42Å; I1021-I1025 PolarHBondContact O-N 3.26Å; W1022-I1025 HydrophobicContact CE3-CD1 3.91Å; W1022-I1025 HydrophobicContact CZ3-CD1 4.08Å; W1022-I1025 PolarHBondContact O-N 2.92Å; I1025-W1028 PolarHBondContact O-N 2.89Å; I1025-F1029 HydrophobicContact CG2-CD2 4.35Å; I1025-F1029 HydrophobicContact CG2-CE2 3.97Å; I1025-F1029 VanDerWaalsContact O-CD2 3.27Å; I1025-F1029 WeakPolarHBondContact O-CD2 3.31Å; I1025-F1029 PolarHBondContact O-N 3.39Å
1026	G	85.5	Confident	84.4	Confident	29 Å²	29	44.5 Å²	44.5	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-40.8	177	0	0	0	0	0	114.1	W1022 G1023 W1028 F1029 V1030	W1022-G1026 PolarHBondContact O-N 3.06Å; G1023-G1026 PolarHBondContact O-N 3.2Å; G1026-W1028 VanDerWaalsContact C-N 3.27Å; G1026-W1028 PolarHBondContact O-N 2.9Å; G1026-F1029 WeakPolarHBondContact O-CB 3.34Å; G1026-F1029 PolarHBondContact O-N 3Å; G1026-F1029 VanDerWaalsContact O-N 3.08Å; G1026-V1030 WeakPolarHBondContact O-CG2 3.38Å; G1026-V1030 PolarHBondContact O-N 3.42Å
1027	A	84.6	Confident	83.7	Confident	33 Å²	33	45.6 Å²	45.6	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-33.2	179.1	0	0	0	0	0	112.1	G1023 S1024 F1031	G1023-A1027 WeakPolarHBondContact O-CB 3.42Å; G1023-A1027 PolarHBondContact O-N 2.79Å; S1024-A1027 PolarHBondContact O-N 2.57Å; A1027-F1031 VanDerWaalsContact O-CB 3.22Å; A1027-F1031 WeakPolarHBondContact O-CB 3.33Å; A1027-F1031 PolarHBondContact O-N 3.26Å
1028	W	75.4	Confident	83	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-48.3	170	169	-96.2	0	0	0	112.3	C865 F873 Y974 T975 S1024 I1025 G1026 V1030 F1031 L1032	C865-W1028 HydrophobicContact CB-CH2 4.48Å; F873-W1028 HydrophobicContact CD1-CB 3.94Å; F873-W1028 AromaticContact CD1-CE3 3.94Å; F873-W1028 HydrophobicContact CD1-CE3 3.94Å; F873-W1028 AromaticContact CD2-CE3 3.63Å; F873-W1028 HydrophobicContact CD2-CE3 3.63Å; F873-W1028 HydrophobicContact CD2-CZ3 4.1Å; F873-W1028 HydrophobicContact CE1-CB 4.47Å; F873-W1028 AromaticContact CE1-CE3 3.73Å; F873-W1028 HydrophobicContact CE1-CE3 3.73Å; F873-W1028 HydrophobicContact CE1-CZ3 4.4Å; F873-W1028 AromaticContact CE2-CE3 3.41Å; F873-W1028 HydrophobicContact CE2-CE3 3.41Å; F873-W1028 VanDerWaalsContact CE2-CE3 3.41Å; F873-W1028 AromaticContact CE2-CZ3 3.52Å; F873-W1028 HydrophobicContact CE2-CZ3 3.52Å; F873-W1028 HydrophobicContact CG-CB 4.33Å; F873-W1028 AromaticContact CG-CE3 3.92Å; F873-W1028 HydrophobicContact CG-CE3 3.92Å; F873-W1028 AromaticContact CZ-CE3 3.49Å; F873-W1028 HydrophobicContact CZ-CE3 3.49Å; F873-W1028 VanDerWaalsContact CZ-CE3 3.49Å; F873-W1028 AromaticContact CZ-CZ3 3.72Å; F873-W1028 HydrophobicContact CZ-CZ3 3.72Å; Y974-W1028 AromaticContact CD1-CD2 3.63Å; Y974-W1028 HydrophobicContact CD1-CD2 3.63Å; Y974-W1028 AromaticContact CD1-CE2 3.72Å; Y974-W1028 AromaticContact CD1-CE3 3.49Å; Y974-W1028 HydrophobicContact CD1-CE3 3.49Å; Y974-W1028 VanDerWaalsContact CD1-CE3 3.49Å; Y974-W1028 AromaticContact CD1-CH2 3.57Å; Y974-W1028 HydrophobicContact CD1-CH2 3.57Å; Y974-W1028 AromaticContact CD1-CZ2 3.7Å; Y974-W1028 HydrophobicContact CD1-CZ2 3.7Å; Y974-W1028 AromaticContact CD1-CZ3 3.46Å; Y974-W1028 HydrophobicContact CD1-CZ3 3.46Å; Y974-W1028 VanDerWaalsContact CD1-CZ3 3.46Å; Y974-W1028 AromaticContact CE1-CE3 3.97Å; Y974-W1028 HydrophobicContact CE1-CE3 3.97Å; Y974-W1028 HydrophobicContact CE1-CH2 4.1Å; Y974-W1028 AromaticContact CE1-CZ3 3.73Å; Y974-W1028 HydrophobicContact CE1-CZ3 3.73Å; Y974-W1028 HydrophobicContact CG-CD2 4.18Å; Y974-W1028 HydrophobicContact CG-CE3 4.42Å; Y974-W1028 HydrophobicContact CG-CZ2 4.47Å; T975-W1028 PolarHBondContact O-NE1 2.95Å; S1024-W1028 PolarHBondContact O-N 3.14Å; I1025-W1028 PolarHBondContact O-N 2.89Å; G1026-W1028 VanDerWaalsContact C-N 3.27Å; G1026-W1028 PolarHBondContact O-N 2.9Å; W1028-V1030 VanDerWaalsContact C-N 3.3Å; W1028-V1030 PolarHBondContact O-N 2.85Å; W1028-F1031 AromaticContact CE3-CD1 3.83Å; W1028-F1031 HydrophobicContact CE3-CD1 3.83Å; W1028-F1031 HydrophobicContact CE3-CE1 4.46Å; W1028-F1031 HydrophobicContact CH2-CD1 4.01Å; W1028-F1031 HydrophobicContact CH2-CE1 4.04Å; W1028-F1031 AromaticContact CZ3-CD1 3.4Å; W1028-F1031 HydrophobicContact CZ3-CD1 3.4Å; W1028-F1031 AromaticContact CZ3-CE1 3.6Å; W1028-F1031 HydrophobicContact CZ3-CE1 3.6Å; W1028-F1031 PolarHBondContact O-N 3.14Å; W1028-L1032 HydrophobicContact CH2-CB 4.26Å; W1028-L1032 HydrophobicContact CH2-CD1 3.81Å; W1028-L1032 HydrophobicContact CH2-CG 4.48Å; W1028-L1032 HydrophobicContact CZ2-CB 3.83Å; W1028-L1032 HydrophobicContact CZ2-CD1 3.75Å; W1028-L1032 HydrophobicContact CZ2-CD2 3.94Å; W1028-L1032 HydrophobicContact CZ2-CG 4.04Å; W1028-L1032 PolarHBondContact O-N 3.27Å
1029	F	74.7	Confident	81.8	Confident	62 Å²	62	49.7 Å²	49.7	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-57.9	-43.7	177.4	-78.5	-86.3	0	0	0	111.6	T975 I1025 G1026 F1033 W1062	T975-F1029 VanDerWaalsContact CB-CZ 3.45Å; T975-F1029 HydrophobicContact CG2-CE1 3.77Å; T975-F1029 HydrophobicContact CG2-CE2 3.62Å; T975-F1029 HydrophobicContact CG2-CZ 3.13Å; I1025-F1029 HydrophobicContact CG2-CD2 4.35Å; I1025-F1029 HydrophobicContact CG2-CE2 3.97Å; I1025-F1029 VanDerWaalsContact O-CD2 3.27Å; I1025-F1029 WeakPolarHBondContact O-CD2 3.31Å; I1025-F1029 PolarHBondContact O-N 3.39Å; G1026-F1029 WeakPolarHBondContact O-CB 3.34Å; G1026-F1029 PolarHBondContact O-N 3Å; G1026-F1029 VanDerWaalsContact O-N 3.08Å; F1029-F1033 PolarHBondContact O-N 3.2Å; F1029-F1033 VanDerWaalsContact O-N 3.11Å; F1029-W1062 HydrophobicContact CE1-CZ2 4.41Å; F1029-W1062 HydrophobicContact CZ-CH2 4.27Å
1030	V	84	Confident	80.3	Confident	86 Å²	86	49.7 Å²	49.7	52%	0.521	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-47.3	178.7	172.1	0	0	0	0	111.1	G1026 W1028 L1032 F1033 I1034	G1026-V1030 WeakPolarHBondContact O-CG2 3.38Å; G1026-V1030 PolarHBondContact O-N 3.42Å; W1028-V1030 VanDerWaalsContact C-N 3.3Å; W1028-V1030 PolarHBondContact O-N 2.85Å; V1030-L1032 VanDerWaalsContact C-N 3.34Å; V1030-L1032 PolarHBondContact O-N 2.9Å; V1030-F1033 PolarHBondContact O-N 2.98Å; V1030-I1034 HydrophobicContact CG1-CD1 3.8Å; V1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; V1030-I1034 PolarHBondContact O-N 3.49Å
1031	F	81.4	Confident	79.1	Confident	34 Å²	34	55 Å²	55	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-55.1	-49.7	175.7	165.6	-95.9	0	0	0	111.1	L868 L872 F873 A1027 W1028 F1033 I1034 Y1035	L868-F1031 HydrophobicContact CD1-CD2 4.08Å; L868-F1031 HydrophobicContact CD1-CE1 4.43Å; L868-F1031 HydrophobicContact CD1-CE2 3.33Å; L868-F1031 HydrophobicContact CD1-CZ 3.55Å; L872-F1031 HydrophobicContact CD2-CD2 4.49Å; F873-F1031 HydrophobicContact CE1-CB 3.61Å; F873-F1031 AromaticContact CE1-CD1 4Å; F873-F1031 HydrophobicContact CE1-CD1 4Å; F873-F1031 HydrophobicContact CE1-CD2 4.46Å; F873-F1031 AromaticContact CE1-CG 3.75Å; F873-F1031 HydrophobicContact CE1-CG 3.75Å; F873-F1031 HydrophobicContact CE2-CD1 4.3Å; F873-F1031 HydrophobicContact CZ-CB 3.91Å; F873-F1031 AromaticContact CZ-CD1 3.42Å; F873-F1031 HydrophobicContact CZ-CD1 3.42Å; F873-F1031 VanDerWaalsContact CZ-CD1 3.42Å; F873-F1031 HydrophobicContact CZ-CD2 4.05Å; F873-F1031 AromaticContact CZ-CE1 3.94Å; F873-F1031 HydrophobicContact CZ-CE1 3.94Å; F873-F1031 HydrophobicContact CZ-CE2 4.5Å; F873-F1031 AromaticContact CZ-CG 3.48Å; F873-F1031 HydrophobicContact CZ-CG 3.48Å; F873-F1031 VanDerWaalsContact CZ-CG 3.48Å; F873-F1031 HydrophobicContact CZ-CZ 4.45Å; A1027-F1031 VanDerWaalsContact O-CB 3.22Å; A1027-F1031 WeakPolarHBondContact O-CB 3.33Å; A1027-F1031 PolarHBondContact O-N 3.26Å; W1028-F1031 AromaticContact CE3-CD1 3.83Å; W1028-F1031 HydrophobicContact CE3-CD1 3.83Å; W1028-F1031 HydrophobicContact CE3-CE1 4.46Å; W1028-F1031 HydrophobicContact CH2-CD1 4.01Å; W1028-F1031 HydrophobicContact CH2-CE1 4.04Å; W1028-F1031 AromaticContact CZ3-CD1 3.4Å; W1028-F1031 HydrophobicContact CZ3-CD1 3.4Å; W1028-F1031 AromaticContact CZ3-CE1 3.6Å; W1028-F1031 HydrophobicContact CZ3-CE1 3.6Å; W1028-F1031 PolarHBondContact O-N 3.14Å; F1031-F1033 PolarHBondContact O-N 3.36Å; F1031-I1034 PolarHBondContact O-N 2.88Å; F1031-Y1035 AromaticContact CE1-CD1 3.71Å; F1031-Y1035 HydrophobicContact CE1-CD1 3.71Å; F1031-Y1035 HydrophobicContact CE1-CG 4.07Å; F1031-Y1035 HydrophobicContact CE2-CD1 4.49Å; F1031-Y1035 HydrophobicContact CE2-CG 4.17Å; F1031-Y1035 AromaticContact CZ-CD1 3.5Å; F1031-Y1035 HydrophobicContact CZ-CD1 3.5Å; F1031-Y1035 HydrophobicContact CZ-CD2 4.26Å; F1031-Y1035 HydrophobicContact CZ-CE1 4.13Å; F1031-Y1035 AromaticContact CZ-CG 3.6Å; F1031-Y1035 HydrophobicContact CZ-CG 3.6Å; F1031-Y1035 VanDerWaalsContact O-CB 3.28Å; F1031-Y1035 WeakPolarHBondContact O-CB 3.34Å; F1031-Y1035 PolarHBondContact O-N 3.29Å
1032	L	72.3	Confident	78.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-68.4	-39.3	-175.2	-170.5	76	0	0	0	112.1	V976 W1028 V1030 I1034 Y1035 C1036 M1048 M1055	V976-L1032 HydrophobicContact CB-CD2 4.42Å; V976-L1032 HydrophobicContact CG1-CD2 4.39Å; V976-L1032 HydrophobicContact CG2-CD2 3.07Å; V976-L1032 HydrophobicContact CG2-CG 4.44Å; W1028-L1032 HydrophobicContact CH2-CB 4.26Å; W1028-L1032 HydrophobicContact CH2-CD1 3.81Å; W1028-L1032 HydrophobicContact CH2-CG 4.48Å; W1028-L1032 HydrophobicContact CZ2-CB 3.83Å; W1028-L1032 HydrophobicContact CZ2-CD1 3.75Å; W1028-L1032 HydrophobicContact CZ2-CD2 3.94Å; W1028-L1032 HydrophobicContact CZ2-CG 4.04Å; W1028-L1032 PolarHBondContact O-N 3.27Å; V1030-L1032 VanDerWaalsContact C-N 3.34Å; V1030-L1032 PolarHBondContact O-N 2.9Å; L1032-I1034 VanDerWaalsContact C-N 3.29Å; L1032-I1034 PolarHBondContact O-N 3.41Å; L1032-Y1035 PolarHBondContact O-N 3.4Å; L1032-C1036 WeakPolarHBondContact O-CB 3.43Å; L1032-C1036 PolarHBondContact O-N 3.37Å; L1032-C1036 PolarHBondContact O-SG 2.9Å; L1032-M1048 HydrophobicContact CD1-CE 3.36Å; L1032-M1055 HydrophobicContact CD2-CE 3.67Å; L1032-M1055 HydrophobicContact CD2-SD 4.37Å
1033	F	79.3	Confident	76.9	Confident	119 Å²	119	56.6 Å²	56.6	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-44.8	173.1	176.1	-106	0	0	0	111.2	F1029 V1030 F1031 N1037	F1029-F1033 PolarHBondContact O-N 3.2Å; F1029-F1033 VanDerWaalsContact O-N 3.11Å; V1030-F1033 PolarHBondContact O-N 2.98Å; F1031-F1033 PolarHBondContact O-N 3.36Å; F1033-N1037 WeakPolarHBondContact O-CB 3.3Å; F1033-N1037 PolarHBondContact O-N 3.49Å; F1033-N1037 PolarHBondContact O-ND2 3.07Å
1034	I	82.5	Confident	75.8	Confident	92 Å²	92	59.7 Å²	59.7	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-48.6	175.2	-65.7	167.4	0	0	0	110.7	V1030 F1031 L1032 C1036 N1037 F1038	V1030-I1034 HydrophobicContact CG1-CD1 3.8Å; V1030-I1034 WeakPolarHBondContact O-CG1 3.42Å; V1030-I1034 PolarHBondContact O-N 3.49Å; F1031-I1034 PolarHBondContact O-N 2.88Å; L1032-I1034 VanDerWaalsContact C-N 3.29Å; L1032-I1034 PolarHBondContact O-N 3.41Å; I1034-C1036 PolarHBondContact O-N 2.95Å; I1034-N1037 PolarHBondContact O-N 3.02Å; I1034-F1038 HydrophobicContact CG2-CB 4.33Å; I1034-F1038 WeakPolarHBondContact O-CB 3.4Å; I1034-F1038 PolarHBondContact O-N 3.35Å
1035	Y	77.6	Confident	74.6	Confident	30 Å²	30	59.9 Å²	59.9	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-40.3	-172.6	-171	-139.2	0	0	0	112.5	E862 F1031 L1032 L1044 M1048	E862-Y1035 PolarHBondContact OE1-OH 3.23Å; F1031-Y1035 AromaticContact CE1-CD1 3.71Å; F1031-Y1035 HydrophobicContact CE1-CD1 3.71Å; F1031-Y1035 HydrophobicContact CE1-CG 4.07Å; F1031-Y1035 HydrophobicContact CE2-CD1 4.49Å; F1031-Y1035 HydrophobicContact CE2-CG 4.17Å; F1031-Y1035 AromaticContact CZ-CD1 3.5Å; F1031-Y1035 HydrophobicContact CZ-CD1 3.5Å; F1031-Y1035 HydrophobicContact CZ-CD2 4.26Å; F1031-Y1035 HydrophobicContact CZ-CE1 4.13Å; F1031-Y1035 AromaticContact CZ-CG 3.6Å; F1031-Y1035 HydrophobicContact CZ-CG 3.6Å; F1031-Y1035 VanDerWaalsContact O-CB 3.28Å; F1031-Y1035 WeakPolarHBondContact O-CB 3.34Å; F1031-Y1035 PolarHBondContact O-N 3.29Å; L1032-Y1035 PolarHBondContact O-N 3.4Å; Y1035-L1044 PolarHBondContact OH-O 3.3Å; Y1035-M1048 HydrophobicContact CD1-CB 4.43Å; Y1035-M1048 HydrophobicContact CD1-CE 3.85Å; Y1035-M1048 HydrophobicContact CD1-CG 4.24Å; Y1035-M1048 HydrophobicContact CE1-CB 4.22Å; Y1035-M1048 HydrophobicContact CE1-CE 3.93Å; Y1035-M1048 HydrophobicContact CE1-CG 3.67Å
1036	C	75.5	Confident	73.7	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.027	35%	0.349	C	S	.	.	H	α-helix	trans	-71.5	-25.9	176.5	-68.6	0	0	0	0	114.3	L1032 I1034 M1048 G1050 D1052	L1032-C1036 WeakPolarHBondContact O-CB 3.43Å; L1032-C1036 PolarHBondContact O-N 3.37Å; L1032-C1036 PolarHBondContact O-SG 2.9Å; I1034-C1036 PolarHBondContact O-N 2.95Å; C1036-M1048 PolarHBondContact SG-O 2.9Å; C1036-G1050 PolarHBondContact O-N 3.04Å; C1036-D1052 HydrophobicContact CB-CB 3.87Å; C1036-D1052 WeakPolarHBondContact CB-OD1 3.4Å; C1036-D1052 PolarHBondContact SG-N 3.41Å; C1036-D1052 VanDerWaalsContact SG-N 3.38Å
1037	N	77.6	Confident	72.8	Confident	77 Å²	77	64.9 Å²	64.9	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-106.1	-29.5	-174	-71.2	-86.3	0	0	0	114.5	F1033 I1034 W1039 P1040 D1052	F1033-N1037 WeakPolarHBondContact O-CB 3.3Å; F1033-N1037 PolarHBondContact O-N 3.49Å; F1033-N1037 PolarHBondContact O-ND2 3.07Å; I1034-N1037 PolarHBondContact O-N 3.02Å; N1037-W1039 PolarHBondContact O-N 3.38Å; N1037-P1040 WeakPolarHBondContact O-CD 3.37Å; N1037-D1052 PolarHBondContact ND2-OD2 3.37Å
1038	F	74.8	Confident	72.1	Confident	126 Å²	126	63.3 Å²	63.3	55%	0.553	34%	0.338	S	S	*	.	H	α-helix	trans	-72.5	-19.2	172.5	-164.8	-98.9	0	0	0	111.8	I1034 P1040 N1041 V1042	I1034-F1038 HydrophobicContact CG2-CB 4.33Å; I1034-F1038 WeakPolarHBondContact O-CB 3.4Å; I1034-F1038 PolarHBondContact O-N 3.35Å; F1038-P1040 WeakPolarHBondContact O-CD 3.37Å; F1038-N1041 PolarHBondContact O-N 3.43Å; F1038-V1042 HydrophobicContact CD1-CG2 4.41Å; F1038-V1042 HydrophobicContact CE1-CG2 3.79Å
1039	W	64.1	Low	71.8	Confident	38 Å²	38	65.7 Å²	65.7	14%	0.144	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-40	-48.5	-178.6	179.1	-100.6	0	0	0	116.7	N1037 N1041 V1042 P1043 L1044 G1045 P1046 A1049	N1037-W1039 PolarHBondContact O-N 3.38Å; W1039-N1041 PolarHBondContact O-N 3.21Å; W1039-V1042 WeakPolarHBondContact CH2-O 3.29Å; W1039-V1042 WeakPolarHBondContact CZ3-O 3.47Å; W1039-V1042 PolarHBondContact O-N 3.08Å; W1039-V1042 VanDerWaalsContact O-N 3.15Å; W1039-P1043 HydrophobicContact CH2-CB 4.4Å; W1039-L1044 HydrophobicContact CZ3-CB 4.43Å; W1039-G1045 VanDerWaalsContact CZ3-O 3.3Å; W1039-G1045 WeakPolarHBondContact CZ3-O 3.22Å; W1039-P1046 VanDerWaalsContact CE2-CA 3.46Å; W1039-P1046 HydrophobicContact CH2-CB 4.16Å; W1039-P1046 HydrophobicContact CZ2-CB 3.51Å; W1039-P1046 HydrophobicContact CZ2-CG 4.31Å; W1039-A1049 HydrophobicContact CG-CB 4.21Å
1040	P	61.6	Low	71.6	Confident	104 Å²	104	64.2 Å²	64.2	68%	0.675	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-60.2	-14.5	-172.3	-24.8	36.5	0	0	0	114.9	N1037 F1038	N1037-P1040 WeakPolarHBondContact O-CD 3.37Å; F1038-P1040 WeakPolarHBondContact O-CD 3.37Å
1041	N	67.4	Low	70.9	Confident	123 Å²	123	60.2 Å²	60.2	66%	0.658	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-97.6	-18.8	-176.6	-55.8	-45.2	0	0	0	114.2	F1038 W1039	F1038-N1041 PolarHBondContact O-N 3.43Å; W1039-N1041 PolarHBondContact O-N 3.21Å
1042	V	68.3	Low	70.4	Confident	58 Å²	58	58.8 Å²	58.8	35%	0.352	33%	0.329	S	S	.	.			trans	-147.2	117.4	-170.8	-171.9	0	0	0	0	112.9	F1038 W1039 L1044	F1038-V1042 HydrophobicContact CD1-CG2 4.41Å; F1038-V1042 HydrophobicContact CE1-CG2 3.79Å; W1039-V1042 WeakPolarHBondContact CH2-O 3.29Å; W1039-V1042 WeakPolarHBondContact CZ3-O 3.47Å; W1039-V1042 PolarHBondContact O-N 3.08Å; W1039-V1042 VanDerWaalsContact O-N 3.15Å; V1042-L1044 HydrophobicContact CG1-CD1 3.73Å; V1042-L1044 HydrophobicContact CG1-CG 3.98Å; V1042-L1044 PolarHBondContact O-N 3.31Å
1043	P	66.2	Low	70.5	Confident	118 Å²	118	62 Å²	62	77%	0.766	35%	0.349	S	S	*	.			trans	-82.1	62.1	-170.6	33.1	-37	0	0	0	116.1	W1039	W1039-P1043 HydrophobicContact CH2-CB 4.4Å
1044	L	64.9	Low	69.9	Low	97 Å²	97	57.4 Å²	57.4	51%	0.508	33%	0.33	S	S	.	.	S	Bend	trans	-108.4	47.9	176.7	-64.4	167.1	0	0	0	116.2	W864 Y1035 W1039 V1042	W864-L1044 VanDerWaalsContact CD1-O 3.26Å; W864-L1044 HydrophobicContact CZ2-CD2 4.38Å; W864-L1044 PolarHBondContact NE1-O 3.28Å; Y1035-L1044 PolarHBondContact OH-O 3.3Å; W1039-L1044 HydrophobicContact CZ3-CB 4.43Å; V1042-L1044 HydrophobicContact CG1-CD1 3.73Å; V1042-L1044 HydrophobicContact CG1-CG 3.98Å; V1042-L1044 PolarHBondContact O-N 3.31Å
1045	G	64.7	Low	69	Low	8 Å²	8	53 Å²	53	8%	0.082	31%	0.308	C	S	.	.			trans	119.1	71.5	-172.9	0	0	0	0	0	117.3	W1039 E1047	W1039-G1045 VanDerWaalsContact CZ3-O 3.3Å; W1039-G1045 WeakPolarHBondContact CZ3-O 3.22Å; G1045-E1047 PolarHBondContact O-N 2.5Å; G1045-E1047 VanDerWaalsContact O-N 3.17Å
1046	P	66.5	Low	68.6	Low	81 Å²	81	52.7 Å²	52.7	53%	0.526	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16.4	-173.5	25.7	-34.5	0	0	0	116.5	W1039 M1048 A1049	W1039-P1046 VanDerWaalsContact CE2-CA 3.46Å; W1039-P1046 HydrophobicContact CH2-CB 4.16Å; W1039-P1046 HydrophobicContact CZ2-CB 3.51Å; W1039-P1046 HydrophobicContact CZ2-CG 4.31Å; P1046-M1048 PolarHBondContact O-N 2.79Å; P1046-M1048 VanDerWaalsContact O-N 3.11Å; P1046-A1049 PolarHBondContact O-N 3.42Å
1047	E	66.2	Low	68.5	Low	71 Å²	71	53.5 Å²	53.5	33%	0.332	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-70.6	-6.8	-174.4	-58.2	167.7	106	0	0	112.4	R863 Y967 G1045	R863-E1047 IonicContact NH2-OE2 3.07Å; R863-E1047 PolarHBondContact NH2-OE2 2.98Å; R863-E1047 VanDerWaalsContact NH2-OE2 3.07Å; Y967-E1047 HydrophobicContact CD2-CB 4.02Å; Y967-E1047 HydrophobicContact CE2-CB 4.27Å; G1045-E1047 PolarHBondContact O-N 2.5Å; G1045-E1047 VanDerWaalsContact O-N 3.17Å
1048	M	68.5	Low	68.1	Low	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-101.2	-3.6	-176.6	-61.8	-66	-76.6	0	0	114.5	E862 N971 L1032 Y1035 C1036 P1046 G1050 M1051	E862-M1048 HydrophobicContact CB-SD 4.15Å; E862-M1048 HydrophobicContact CG-CG 3.92Å; E862-M1048 HydrophobicContact CG-SD 3.95Å; N971-M1048 PolarHBondContact ND2-SD 3.05Å; L1032-M1048 HydrophobicContact CD1-CE 3.36Å; Y1035-M1048 HydrophobicContact CD1-CB 4.43Å; Y1035-M1048 HydrophobicContact CD1-CE 3.85Å; Y1035-M1048 HydrophobicContact CD1-CG 4.24Å; Y1035-M1048 HydrophobicContact CE1-CB 4.22Å; Y1035-M1048 HydrophobicContact CE1-CE 3.93Å; Y1035-M1048 HydrophobicContact CE1-CG 3.67Å; C1036-M1048 PolarHBondContact SG-O 2.9Å; P1046-M1048 PolarHBondContact O-N 2.79Å; P1046-M1048 VanDerWaalsContact O-N 3.11Å; M1048-G1050 PolarHBondContact O-N 2.85Å; M1048-M1051 VanDerWaalsContact O-CB 3.32Å; M1048-M1051 WeakPolarHBondContact O-CB 3.2Å; M1048-M1051 PolarHBondContact O-N 2.68Å; M1048-M1051 VanDerWaalsContact O-N 3.14Å
1049	A	69.8	Low	67.9	Low	50 Å²	50	46.3 Å²	46.3	41%	0.413	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	121.8	-173.2	0	0	0	0	0	112.8	W1039 P1046 M1051	W1039-A1049 HydrophobicContact CG-CB 4.21Å; P1046-A1049 PolarHBondContact O-N 3.42Å; A1049-M1051 PolarHBondContact O-N 3.42Å; A1049-M1051 VanDerWaalsContact O-N 3.1Å
1050	G	71	Confident	68.2	Low	31 Å²	31	49.6 Å²	49.6	32%	0.32	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	12.9	-178.8	0	0	0	0	0	114.8	C1036 M1048 D1052 V1053 V1054	C1036-G1050 PolarHBondContact O-N 3.04Å; M1048-G1050 PolarHBondContact O-N 2.85Å; G1050-D1052 VanDerWaalsContact C-N 3.29Å; G1050-D1052 PolarHBondContact O-N 2.84Å; G1050-V1053 PolarHBondContact O-N 2.82Å; G1050-V1053 VanDerWaalsContact O-N 3.08Å; G1050-V1054 PolarHBondContact O-N 3.49Å
1051	M	69.6	Low	68.2	Low	3 Å²	3	44.6 Å²	44.6	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-71.1	-27.8	-176.1	-74.1	-49.8	-49.1	0	0	112.4	Y967 M968 V992 M1048 A1049 V1054 M1055	Y967-M1051 VanDerWaalsContact O-CE 3.31Å; Y967-M1051 WeakPolarHBondContact O-CE 3.23Å; M968-M1051 HydrophobicContact CB-CE 4.15Å; V992-M1051 HydrophobicContact CB-CE 3.57Å; V992-M1051 HydrophobicContact CB-SD 3.71Å; V992-M1051 HydrophobicContact CG1-CE 3.82Å; V992-M1051 HydrophobicContact CG1-CG 4.03Å; V992-M1051 HydrophobicContact CG1-SD 3.47Å; V992-M1051 WeakPolarHBondContact CG1-SD 3.45Å; V992-M1051 HydrophobicContact CG2-CE 3.98Å; V992-M1051 HydrophobicContact CG2-SD 3.69Å; M1048-M1051 VanDerWaalsContact O-CB 3.32Å; M1048-M1051 WeakPolarHBondContact O-CB 3.2Å; M1048-M1051 PolarHBondContact O-N 2.68Å; M1048-M1051 VanDerWaalsContact O-N 3.14Å; A1049-M1051 PolarHBondContact O-N 3.42Å; A1049-M1051 VanDerWaalsContact O-N 3.1Å; M1051-V1054 HydrophobicContact CE-CB 3.69Å; M1051-V1054 HydrophobicContact CE-CG1 3.34Å; M1051-V1054 HydrophobicContact CE-CG2 4.31Å; M1051-V1054 PolarHBondContact O-N 3.48Å; M1051-V1054 HydrophobicContact SD-CB 4.2Å; M1051-V1054 HydrophobicContact SD-CG1 4.32Å; M1051-V1054 HydrophobicContact SD-CG2 4.25Å; M1051-M1055 VanDerWaalsContact C-SD 3.56Å; M1051-M1055 HydrophobicContact CB-SD 3.7Å; M1051-M1055 HydrophobicContact CE-CG 3.78Å; M1051-M1055 HydrophobicContact CE-SD 4.01Å; M1051-M1055 WeakPolarHBondContact O-CB 3.43Å; M1051-M1055 WeakPolarHBondContact O-CG 3.42Å; M1051-M1055 PolarHBondContact O-N 3.25Å
1052	D	69.5	Low	68.4	Low	3 Å²	3	41.8 Å²	41.8	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-50.2	-61.3	160.6	71.3	-39.5	0	0	0	110.6	C1036 N1037 G1050 V1054 M1055 L1056	C1036-D1052 HydrophobicContact CB-CB 3.87Å; C1036-D1052 WeakPolarHBondContact CB-OD1 3.4Å; C1036-D1052 PolarHBondContact SG-N 3.41Å; C1036-D1052 VanDerWaalsContact SG-N 3.38Å; N1037-D1052 PolarHBondContact ND2-OD2 3.37Å; G1050-D1052 VanDerWaalsContact C-N 3.29Å; G1050-D1052 PolarHBondContact O-N 2.84Å; D1052-V1054 VanDerWaalsContact C-N 3.27Å; D1052-V1054 CarbonylContact O-C 2.94Å; D1052-V1054 PolarHBondContact O-N 3.12Å; D1052-V1054 VanDerWaalsContact O-N 3.12Å; D1052-M1055 PolarHBondContact O-N 3.4Å; D1052-L1056 VanDerWaalsContact C-CD1 3.5Å; D1052-L1056 VanDerWaalsContact C-CG 3.41Å; D1052-L1056 HydrophobicContact CB-CD1 4.08Å; D1052-L1056 HydrophobicContact CB-CD2 4.48Å; D1052-L1056 HydrophobicContact CB-CG 4.05Å; D1052-L1056 WeakPolarHBondContact O-CA 3.38Å; D1052-L1056 WeakPolarHBondContact O-CB 3.38Å; D1052-L1056 WeakPolarHBondContact O-CD1 2.82Å; D1052-L1056 WeakPolarHBondContact O-CG 3.46Å; D1052-L1056 PolarHBondContact O-N 3.04Å
1053	V	74.6	Confident	68.7	Low	69 Å²	69	44.4 Å²	44.4	42%	0.418	27%	0.266	S	S	.	.	H	α-helix	trans	-52.7	-43.9	-176.5	-175	0	0	0	0	112.6	G1050 S1057	G1050-V1053 PolarHBondContact O-N 2.82Å; G1050-V1053 VanDerWaalsContact O-N 3.08Å; V1053-S1057 WeakPolarHBondContact O-CB 3.47Å; V1053-S1057 PolarHBondContact O-N 2.76Å; V1053-S1057 PolarHBondContact O-OG 3.33Å
1054	V	68.3	Low	68.8	Low	22 Å²	22	39 Å²	39	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-61.8	172.2	160.3	0	0	0	0	110.9	W958 M968 G1050 M1051 D1052 S1057	W958-V1054 HydrophobicContact CH2-CB 4.46Å; W958-V1054 HydrophobicContact CH2-CG1 3.59Å; W958-V1054 HydrophobicContact CZ2-CB 4.35Å; W958-V1054 HydrophobicContact CZ2-CG1 3.79Å; W958-V1054 WeakPolarHBondContact CZ2-O 3.25Å; M968-V1054 HydrophobicContact CB-CG1 4.26Å; M968-V1054 HydrophobicContact CG-CG1 4.26Å; G1050-V1054 PolarHBondContact O-N 3.49Å; M1051-V1054 HydrophobicContact CE-CB 3.69Å; M1051-V1054 HydrophobicContact CE-CG1 3.34Å; M1051-V1054 HydrophobicContact CE-CG2 4.31Å; M1051-V1054 PolarHBondContact O-N 3.48Å; M1051-V1054 HydrophobicContact SD-CB 4.2Å; M1051-V1054 HydrophobicContact SD-CG1 4.32Å; M1051-V1054 HydrophobicContact SD-CG2 4.25Å; D1052-V1054 VanDerWaalsContact C-N 3.27Å; D1052-V1054 CarbonylContact O-C 2.94Å; D1052-V1054 PolarHBondContact O-N 3.12Å; D1052-V1054 VanDerWaalsContact O-N 3.12Å; V1054-S1057 PolarHBondContact O-N 3.4Å; V1054-S1057 PolarHBondContact O-OG 2.9Å
1055	M	63.4	Low	68.9	Low	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-73.4	-34.3	-168.4	-62.7	158.6	54.3	0	0	113.7	M968 N971 V976 K996 L1032 M1051 D1052 S1057	M968-M1055 HydrophobicContact CB-CG 3.98Å; M968-M1055 HydrophobicContact CG-CB 3.97Å; M968-M1055 HydrophobicContact CG-CG 3.33Å; N971-M1055 HydrophobicContact CB-CE 3.59Å; N971-M1055 HydrophobicContact CB-SD 3.7Å; N971-M1055 WeakPolarHBondContact O-CE 3.33Å; V976-M1055 HydrophobicContact CG1-CB 4.44Å; V976-M1055 HydrophobicContact CG2-CE 3.77Å; K996-M1055 HydrophobicContact CD-CB 3.8Å; K996-M1055 HydrophobicContact CD-CE 3.58Å; K996-M1055 HydrophobicContact CD-CG 4.47Å; K996-M1055 HydrophobicContact CG-CE 3.62Å; K996-M1055 PolarHBondContact NZ-O 2.95Å; L1032-M1055 HydrophobicContact CD2-CE 3.67Å; L1032-M1055 HydrophobicContact CD2-SD 4.37Å; M1051-M1055 VanDerWaalsContact C-SD 3.56Å; M1051-M1055 HydrophobicContact CB-SD 3.7Å; M1051-M1055 HydrophobicContact CE-CG 3.78Å; M1051-M1055 HydrophobicContact CE-SD 4.01Å; M1051-M1055 WeakPolarHBondContact O-CB 3.43Å; M1051-M1055 WeakPolarHBondContact O-CG 3.42Å; M1051-M1055 PolarHBondContact O-N 3.25Å; D1052-M1055 PolarHBondContact O-N 3.4Å; M1055-S1057 PolarHBondContact O-N 3.22Å
1056	L	67.9	Low	69.4	Low	23 Å²	23	41.5 Å²	41.5	12%	0.12	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-38	173.4	-60.2	156.8	0	0	0	108.7	V976 R977 K978 D1052	V976-L1056 HydrophobicContact CG1-CB 3.72Å; V976-L1056 HydrophobicContact CG1-CD2 3.23Å; V976-L1056 HydrophobicContact CG1-CG 3.26Å; R977-L1056 WeakPolarHBondContact O-CD2 3.49Å; K978-L1056 WeakPolarHBondContact CG-O 3.3Å; D1052-L1056 VanDerWaalsContact C-CD1 3.5Å; D1052-L1056 VanDerWaalsContact C-CG 3.41Å; D1052-L1056 HydrophobicContact CB-CD1 4.08Å; D1052-L1056 HydrophobicContact CB-CD2 4.48Å; D1052-L1056 HydrophobicContact CB-CG 4.05Å; D1052-L1056 WeakPolarHBondContact O-CA 3.38Å; D1052-L1056 WeakPolarHBondContact O-CB 3.38Å; D1052-L1056 WeakPolarHBondContact O-CD1 2.82Å; D1052-L1056 WeakPolarHBondContact O-CG 3.46Å; D1052-L1056 PolarHBondContact O-N 3.04Å
1057	S	74.2	Confident	70	Confident	22 Å²	22	42.7 Å²	42.7	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-81.9	-23.3	-166.4	73.6	0	0	0	0	116.3	W958 V1053 V1054 M1055	W958-S1057 PolarHBondContact NE1-OG 2.83Å; V1053-S1057 WeakPolarHBondContact O-CB 3.47Å; V1053-S1057 PolarHBondContact O-N 2.76Å; V1053-S1057 PolarHBondContact O-OG 3.33Å; V1054-S1057 PolarHBondContact O-N 3.4Å; V1054-S1057 PolarHBondContact O-OG 2.9Å; M1055-S1057 PolarHBondContact O-N 3.22Å
1058	S	69.8	Low	70.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	22%	0.221	C	C	.	.			trans	-67.8	136.6	-173.2	173	0	0	0	0	113.8	V957 F1061	V957-S1058 WeakPolarHBondContact CG1-OG 3.2Å; S1058-F1061 PolarHBondContact OG-N 2.99Å
1059	G	70.5	Confident	71	Confident	50 Å²	50	39.6 Å²	39.6	52%	0.515	22%	0.223	S	C	.	.	H	α-helix	trans	-75.9	-46.9	174.3	0	0	0	0	0	113.5	F1061 W1062 M1063	G1059-F1061 PolarHBondContact O-N 2.69Å; G1059-W1062 PolarHBondContact O-N 3.46Å; G1059-M1063 PolarHBondContact O-N 3.36Å
1060	F	69.5	Low	71.6	Confident	107 Å²	107	40.9 Å²	40.9	47%	0.469	23%	0.225	S	C	.	.	H	α-helix	trans	-52.9	-39.6	176.1	-75.6	-85.3	0	0	0	112.2	F936 V957 W1062 M1063 G1064	F936-F1060 HydrophobicContact CE1-CB 4.17Å; V957-F1060 WeakPolarHBondContact O-CD2 3.31Å; F1060-W1062 PolarHBondContact O-N 2.99Å; F1060-M1063 WeakPolarHBondContact O-CB 3.19Å; F1060-M1063 PolarHBondContact O-N 3.28Å; F1060-G1064 PolarHBondContact O-N 2.81Å
1061	F	62.3	Low	72.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-47.4	174.7	168.7	-114.2	0	0	0	112.6	T975 V976 K996 Y997 S1058 G1059 M1063 G1064 V1065	T975-F1061 HydrophobicContact CG2-CZ 4.06Å; V976-F1061 WeakPolarHBondContact O-CE1 3.18Å; K996-F1061 HydrophobicContact CB-CD2 3.66Å; K996-F1061 HydrophobicContact CB-CE1 4.43Å; K996-F1061 HydrophobicContact CB-CE2 3.04Å; K996-F1061 HydrophobicContact CB-CZ 3.46Å; K996-F1061 VanDerWaalsContact CB-CZ 3.46Å; K996-F1061 HydrophobicContact CD-CD1 3.95Å; K996-F1061 HydrophobicContact CD-CD2 3.78Å; K996-F1061 HydrophobicContact CD-CE1 3.87Å; K996-F1061 HydrophobicContact CD-CE2 3.73Å; K996-F1061 HydrophobicContact CD-CG 3.92Å; K996-F1061 HydrophobicContact CD-CZ 3.72Å; K996-F1061 HydrophobicContact CG-CD2 4.38Å; K996-F1061 HydrophobicContact CG-CE2 3.94Å; K996-F1061 HydrophobicContact CG-CZ 3.98Å; K996-F1061 WeakPolarHBondContact O-CE2 3.03Å; Y997-F1061 HydrophobicContact CD1-CD2 4.45Å; Y997-F1061 AromaticContact CD1-CE2 3.95Å; Y997-F1061 HydrophobicContact CD1-CE2 3.95Å; Y997-F1061 AromaticContact CE1-CD2 3.54Å; Y997-F1061 HydrophobicContact CE1-CD2 3.54Å; Y997-F1061 AromaticContact CE1-CE2 3.46Å; Y997-F1061 HydrophobicContact CE1-CE2 3.46Å; Y997-F1061 VanDerWaalsContact CE1-CE2 3.46Å; Y997-F1061 AromaticContact CZ-CD2 4Å; S1058-F1061 PolarHBondContact OG-N 2.99Å; G1059-F1061 PolarHBondContact O-N 2.69Å; F1061-M1063 VanDerWaalsContact C-N 3.25Å; F1061-M1063 PolarHBondContact O-N 3.02Å; F1061-G1064 CarbonylContact O-C 3.03Å; F1061-G1064 WeakPolarHBondContact O-CA 3.49Å; F1061-G1064 PolarHBondContact O-N 3.48Å; F1061-V1065 HydrophobicContact CD1-CG2 4.31Å; F1061-V1065 HydrophobicContact CD2-CG2 4.15Å; F1061-V1065 HydrophobicContact CE1-CG2 3.51Å; F1061-V1065 HydrophobicContact CE2-CG2 3.28Å; F1061-V1065 HydrophobicContact CZ-CB 4.44Å; F1061-V1065 HydrophobicContact CZ-CG2 2.94Å; F1061-V1065 PolarHBondContact O-N 3.25Å
1062	W	71.4	Confident	72.9	Confident	64 Å²	64	40.6 Å²	40.6	24%	0.242	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-28.3	-177.8	-86.8	89.6	0	0	0	113.6	V976 R977 F1029 G1059 F1060 V1065	V976-W1062 VanDerWaalsContact O-CZ2 3.28Å; V976-W1062 WeakPolarHBondContact O-CZ2 3.15Å; V976-W1062 PolarHBondContact O-NE1 2.97Å; V976-W1062 VanDerWaalsContact O-NE1 3.15Å; R977-W1062 HydrophobicContact CB-CH2 4.06Å; R977-W1062 HydrophobicContact CB-CZ2 3.19Å; R977-W1062 HydrophobicContact CG-CZ2 3.98Å; R977-W1062 VanDerWaalsContact NH1-CD2 3.28Å; F1029-W1062 HydrophobicContact CE1-CZ2 4.41Å; F1029-W1062 HydrophobicContact CZ-CH2 4.27Å; G1059-W1062 PolarHBondContact O-N 3.46Å; F1060-W1062 PolarHBondContact O-N 2.99Å; W1062-V1065 HydrophobicContact CD2-CG2 4.33Å; W1062-V1065 HydrophobicContact CE3-CB 4.31Å; W1062-V1065 HydrophobicContact CE3-CG1 4.47Å; W1062-V1065 HydrophobicContact CE3-CG2 4.16Å; W1062-V1065 HydrophobicContact CH2-CG1 4.37Å; W1062-V1065 HydrophobicContact CH2-CG2 4.24Å; W1062-V1065 HydrophobicContact CZ2-CG2 4.35Å; W1062-V1065 HydrophobicContact CZ3-CB 4.3Å; W1062-V1065 HydrophobicContact CZ3-CG1 3.99Å; W1062-V1065 HydrophobicContact CZ3-CG2 4.17Å
1063	M	73.1	Confident	73.8	Confident	112 Å²	112	41 Å²	41	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-64.9	-47.5	167.1	-64.7	178.5	61.5	0	0	110.6	G1059 F1060 F1061 V1065 F1066 F1067	G1059-M1063 PolarHBondContact O-N 3.36Å; F1060-M1063 WeakPolarHBondContact O-CB 3.19Å; F1060-M1063 PolarHBondContact O-N 3.28Å; F1061-M1063 VanDerWaalsContact C-N 3.25Å; F1061-M1063 PolarHBondContact O-N 3.02Å; M1063-V1065 VanDerWaalsContact C-N 3.35Å; M1063-V1065 PolarHBondContact O-N 3.37Å; M1063-F1066 PolarHBondContact O-N 3.14Å; M1063-F1066 VanDerWaalsContact O-N 3.16Å; M1063-F1067 HydrophobicContact CB-CD2 4.05Å; M1063-F1067 HydrophobicContact CB-CE2 4.32Å; M1063-F1067 HydrophobicContact CE-CE2 4.28Å; M1063-F1067 WeakPolarHBondContact O-CD2 3.24Å; M1063-F1067 PolarHBondContact O-N 2.98Å
1064	G	68.5	Low	74.5	Confident	6 Å²	6	42.7 Å²	42.7	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-34.4	178.3	0	0	0	0	0	114.8	Y997 F1060 F1061 F1066 F1067 V1068 P1069	Y997-G1064 WeakPolarHBondContact CD1-O 3.2Å; F1060-G1064 PolarHBondContact O-N 2.81Å; F1061-G1064 CarbonylContact O-C 3.03Å; F1061-G1064 WeakPolarHBondContact O-CA 3.49Å; F1061-G1064 PolarHBondContact O-N 3.48Å; G1064-F1066 PolarHBondContact O-N 3.3Å; G1064-F1066 VanDerWaalsContact O-N 3.16Å; G1064-F1067 PolarHBondContact O-N 3.31Å; G1064-V1068 WeakPolarHBondContact O-CB 2.94Å; G1064-V1068 WeakPolarHBondContact O-CG2 3.35Å; G1064-V1068 PolarHBondContact O-N 3.45Å; G1064-P1069 VanDerWaalsContact O-CD 3.26Å; G1064-P1069 WeakPolarHBondContact O-CD 3.16Å
1065	V	67.7	Low	75.4	Confident	26 Å²	26	47 Å²	47	16%	0.158	25%	0.246	C	C	.	.	H	α-helix	trans	-53.3	-37.5	174.9	175.9	0	0	0	0	111.7	T975 Y997 I1000 F1061 W1062 M1063 P1069	T975-V1065 HydrophobicContact CG2-CG1 4.38Å; T975-V1065 HydrophobicContact CG2-CG2 4.22Å; Y997-V1065 VanDerWaalsContact CE1-N 3.25Å; I1000-V1065 HydrophobicContact CD1-CG1 3.94Å; F1061-V1065 HydrophobicContact CD1-CG2 4.31Å; F1061-V1065 HydrophobicContact CD2-CG2 4.15Å; F1061-V1065 HydrophobicContact CE1-CG2 3.51Å; F1061-V1065 HydrophobicContact CE2-CG2 3.28Å; F1061-V1065 HydrophobicContact CZ-CB 4.44Å; F1061-V1065 HydrophobicContact CZ-CG2 2.94Å; F1061-V1065 PolarHBondContact O-N 3.25Å; W1062-V1065 HydrophobicContact CD2-CG2 4.33Å; W1062-V1065 HydrophobicContact CE3-CB 4.31Å; W1062-V1065 HydrophobicContact CE3-CG1 4.47Å; W1062-V1065 HydrophobicContact CE3-CG2 4.16Å; W1062-V1065 HydrophobicContact CH2-CG1 4.37Å; W1062-V1065 HydrophobicContact CH2-CG2 4.24Å; W1062-V1065 HydrophobicContact CZ2-CG2 4.35Å; W1062-V1065 HydrophobicContact CZ3-CB 4.3Å; W1062-V1065 HydrophobicContact CZ3-CG1 3.99Å; W1062-V1065 HydrophobicContact CZ3-CG2 4.17Å; M1063-V1065 VanDerWaalsContact C-N 3.35Å; M1063-V1065 PolarHBondContact O-N 3.37Å; V1065-P1069 WeakPolarHBondContact O-CD 3.5Å; V1065-P1069 VanDerWaalsContact O-CG 3.31Å; V1065-P1069 WeakPolarHBondContact O-CG 3.39Å
1066	F	75.3	Confident	76.7	Confident	130 Å²	130	47.4 Å²	47.4	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-88.2	-57.4	-179.3	-173.1	-103.3	0	0	0	110.3	M1063 G1064 V1070	M1063-F1066 PolarHBondContact O-N 3.14Å; M1063-F1066 VanDerWaalsContact O-N 3.16Å; G1064-F1066 PolarHBondContact O-N 3.3Å; G1064-F1066 VanDerWaalsContact O-N 3.16Å; F1066-V1070 VanDerWaalsContact O-CB 3.28Å; F1066-V1070 WeakPolarHBondContact O-CB 3.42Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.26Å; F1066-V1070 PolarHBondContact O-N 3.42Å
1067	F	79.3	Confident	77.7	Confident	106 Å²	106	48.8 Å²	48.8	47%	0.465	26%	0.257	S	S	.	.	H	α-helix	trans	-72.6	-33.6	-170.2	-67.7	-64.2	0	0	0	114.5	F931 M1063 G1064 A1071	F931-F1067 HydrophobicContact CE1-CB 4.43Å; M1063-F1067 HydrophobicContact CB-CD2 4.05Å; M1063-F1067 HydrophobicContact CB-CE2 4.32Å; M1063-F1067 HydrophobicContact CE-CE2 4.28Å; M1063-F1067 WeakPolarHBondContact O-CD2 3.24Å; M1063-F1067 PolarHBondContact O-N 2.98Å; G1064-F1067 PolarHBondContact O-N 3.31Å; F1067-A1071 WeakPolarHBondContact O-CB 3.42Å; F1067-A1071 PolarHBondContact O-N 3.29Å
1068	V	75.4	Confident	78.6	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-71.9	-51.6	-178.7	-173.7	0	0	0	0	111.2	L928 F931 Y997 G1064 V1070 A1071 T1072	L928-V1068 HydrophobicContact CD2-CG1 3.99Å; F931-V1068 HydrophobicContact CD1-CB 4.43Å; F931-V1068 HydrophobicContact CD1-CG2 3.93Å; Y997-V1068 HydrophobicContact CD1-CB 4.44Å; Y997-V1068 HydrophobicContact CD1-CG2 4.5Å; Y997-V1068 HydrophobicContact CD2-CB 4.05Å; Y997-V1068 HydrophobicContact CD2-CG1 4.13Å; Y997-V1068 HydrophobicContact CD2-CG2 3.86Å; Y997-V1068 HydrophobicContact CE2-CG2 3.89Å; Y997-V1068 HydrophobicContact CG-CB 4.03Å; Y997-V1068 HydrophobicContact CG-CG1 4.33Å; Y997-V1068 HydrophobicContact CG-CG2 4.22Å; G1064-V1068 WeakPolarHBondContact O-CB 2.94Å; G1064-V1068 WeakPolarHBondContact O-CG2 3.35Å; G1064-V1068 PolarHBondContact O-N 3.45Å; V1068-V1070 VanDerWaalsContact C-N 3.31Å; V1068-V1070 PolarHBondContact O-N 2.77Å; V1068-A1071 PolarHBondContact O-N 2.93Å; V1068-T1072 HydrophobicContact CG1-CG2 4.45Å; V1068-T1072 WeakPolarHBondContact O-CG2 2.89Å; V1068-T1072 PolarHBondContact O-N 2.89Å; V1068-T1072 PolarHBondContact O-OG1 3.5Å
1069	P	79.3	Confident	79.5	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-27.1	175.8	-22.9	36.7	0	0	0	114.5	I1000 T1001 L1004 G1064 V1065 T1072 L1073	I1000-P1069 HydrophobicContact CB-CG 4.21Å; I1000-P1069 HydrophobicContact CG2-CB 4.03Å; I1000-P1069 HydrophobicContact CG2-CG 3.95Å; T1001-P1069 WeakPolarHBondContact OG1-CA 3.11Å; T1001-P1069 WeakPolarHBondContact OG1-CB 3.14Å; L1004-P1069 HydrophobicContact CD1-CB 4.35Å; G1064-P1069 VanDerWaalsContact O-CD 3.26Å; G1064-P1069 WeakPolarHBondContact O-CD 3.16Å; V1065-P1069 WeakPolarHBondContact O-CD 3.5Å; V1065-P1069 VanDerWaalsContact O-CG 3.31Å; V1065-P1069 WeakPolarHBondContact O-CG 3.39Å; P1069-T1072 WeakPolarHBondContact CA-OG1 3.27Å; P1069-T1072 PolarHBondContact O-OG1 3.45Å; P1069-L1073 WeakPolarHBondContact O-CB 3.27Å; P1069-L1073 VanDerWaalsContact O-CG 3.3Å; P1069-L1073 WeakPolarHBondContact O-CG 2.61Å; P1069-L1073 PolarHBondContact O-N 3.41Å
1070	V	84.1	Confident	80.3	Confident	76 Å²	76	55.4 Å²	55.4	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-72.5	-43.2	172.5	169.6	0	0	0	0	110.8	F1066 V1068 L1074	F1066-V1070 VanDerWaalsContact O-CB 3.28Å; F1066-V1070 WeakPolarHBondContact O-CB 3.42Å; F1066-V1070 WeakPolarHBondContact O-CG2 3.26Å; F1066-V1070 PolarHBondContact O-N 3.42Å; V1068-V1070 VanDerWaalsContact C-N 3.31Å; V1068-V1070 PolarHBondContact O-N 2.77Å; V1070-L1074 WeakPolarHBondContact O-CB 3.06Å; V1070-L1074 PolarHBondContact O-N 2.8Å
1071	A	83.7	Confident	81.2	Confident	29 Å²	29	55 Å²	55	24%	0.24	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-37	179.8	0	0	0	0	0	113.2	I927 F931 F1067 V1068	I927-A1071 HydrophobicContact CG2-CB 4.45Å; F931-A1071 HydrophobicContact CD1-CB 4.15Å; F931-A1071 HydrophobicContact CE1-CB 3.84Å; F1067-A1071 WeakPolarHBondContact O-CB 3.42Å; F1067-A1071 PolarHBondContact O-N 3.29Å; V1068-A1071 PolarHBondContact O-N 2.93Å
1072	T	84.1	Confident	82.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-50.3	175.5	51.3	0	0	0	0	111.4	H924 I927 L928 T1001 V1068 P1069 L1074	H924-T1072 PolarHBondContact NE2-O 3.2Å; I927-T1072 HydrophobicContact CB-CG2 3.83Å; I927-T1072 HydrophobicContact CG2-CG2 3.58Å; L928-T1072 HydrophobicContact CD2-CG2 4.05Å; L928-T1072 HydrophobicContact CG-CG2 3.8Å; T1001-T1072 HydrophobicContact CG2-CG2 4.29Å; T1001-T1072 VanDerWaalsContact CG2-OG1 3.26Å; T1001-T1072 WeakPolarHBondContact CG2-OG1 3.16Å; V1068-T1072 HydrophobicContact CG1-CG2 4.45Å; V1068-T1072 WeakPolarHBondContact O-CG2 2.89Å; V1068-T1072 PolarHBondContact O-N 2.89Å; V1068-T1072 PolarHBondContact O-OG1 3.5Å; P1069-T1072 WeakPolarHBondContact CA-OG1 3.27Å; P1069-T1072 PolarHBondContact O-OG1 3.45Å; T1072-L1074 PolarHBondContact O-N 2.9Å
1073	L	87.6	Confident	83.3	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-82	-9.8	-173.3	-60.5	175.9	0	0	0	114	T1001 L1004 K1005 L1008 P1069 F1075 D1076 V1077	T1001-L1073 HydrophobicContact CG2-CD2 4.07Å; T1001-L1073 HydrophobicContact CG2-CG 4.21Å; L1004-L1073 HydrophobicContact CB-CD1 3.43Å; L1004-L1073 VanDerWaalsContact CB-CD1 3.43Å; L1004-L1073 HydrophobicContact CD1-CD1 4.22Å; L1004-L1073 HydrophobicContact CG-CD1 4.49Å; K1005-L1073 HydrophobicContact CB-CD2 4.08Å; L1008-L1073 HydrophobicContact CD1-CB 4.17Å; L1008-L1073 HydrophobicContact CD1-CD1 4.23Å; L1008-L1073 HydrophobicContact CD1-CD2 4.24Å; L1008-L1073 HydrophobicContact CD1-CG 4.45Å; P1069-L1073 WeakPolarHBondContact O-CB 3.27Å; P1069-L1073 VanDerWaalsContact O-CG 3.3Å; P1069-L1073 WeakPolarHBondContact O-CG 2.61Å; P1069-L1073 PolarHBondContact O-N 3.41Å; L1073-F1075 VanDerWaalsContact C-N 3.3Å; L1073-F1075 PolarHBondContact O-N 3.43Å; L1073-D1076 WeakPolarHBondContact O-CB 2.86Å; L1073-D1076 PolarHBondContact O-N 2.83Å; L1073-D1076 VanDerWaalsContact O-N 3.17Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.34Å; L1073-V1077 PolarHBondContact O-N 3.03Å
1074	L	88.5	Confident	83.7	Confident	105 Å²	105	58 Å²	58	55%	0.55	29%	0.285	S	S	.	.	H	α-helix	trans	-55.9	-44	179.9	-179.8	61.6	0	0	0	112.1	V1070 T1072 V1077 V1078	V1070-L1074 WeakPolarHBondContact O-CB 3.06Å; V1070-L1074 PolarHBondContact O-N 2.8Å; T1072-L1074 PolarHBondContact O-N 2.9Å; L1074-V1077 PolarHBondContact O-N 3.02Å; L1074-V1078 HydrophobicContact CD1-CG2 4.27Å; L1074-V1078 WeakPolarHBondContact O-CB 3.47Å; L1074-V1078 VanDerWaalsContact O-CG2 3.31Å; L1074-V1078 WeakPolarHBondContact O-CG2 3.48Å; L1074-V1078 PolarHBondContact O-N 2.87Å
1075	F	88.5	Confident	84.6	Confident	114 Å²	114	62 Å²	62	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-43.2	177.8	179.3	-97.7	0	0	0	112	Y923 L1073 V1077 V1078 Y1079	Y923-F1075 HydrophobicContact CE1-CB 3.78Å; Y923-F1075 HydrophobicContact CE1-CD1 4.25Å; Y923-F1075 HydrophobicContact CE1-CG 4.26Å; Y923-F1075 WeakPolarHBondContact OH-CB 2.76Å; L1073-F1075 VanDerWaalsContact C-N 3.3Å; L1073-F1075 PolarHBondContact O-N 3.43Å; F1075-V1077 PolarHBondContact O-N 3.31Å; F1075-V1078 PolarHBondContact O-N 2.99Å; F1075-Y1079 VanDerWaalsContact O-CB 3.25Å; F1075-Y1079 WeakPolarHBondContact O-CB 3.22Å; F1075-Y1079 PolarHBondContact O-N 3.35Å
1076	D	89.1	Confident	85.6	Confident	7 Å²	7	66.6 Å²	66.6	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-43.4	175.9	-108.3	-20.2	0	0	0	112.1	N920 H924 K1005 L1073 R1080	N920-D1076 PolarHBondContact ND2-OD1 2.99Å; N920-D1076 PolarHBondContact ND2-OD2 2.99Å; H924-D1076 IonicContact CE1-OD2 3.97Å; H924-D1076 PolarHBondContact CE1-OD2 2.87Å; H924-D1076 IonicContact NE2-OD2 2.7Å; H924-D1076 PolarHBondContact NE2-OD2 3.05Å; K1005-D1076 WeakPolarHBondContact CD-OD2 3.22Å; K1005-D1076 WeakPolarHBondContact CE-OD2 3.41Å; K1005-D1076 IonicContact NZ-OD1 3.87Å; K1005-D1076 PolarHBondContact NZ-OD1 3.15Å; K1005-D1076 IonicContact NZ-OD2 3.73Å; K1005-D1076 PolarHBondContact NZ-OD2 2.83Å; L1073-D1076 WeakPolarHBondContact O-CB 2.86Å; L1073-D1076 PolarHBondContact O-N 2.83Å; L1073-D1076 VanDerWaalsContact O-N 3.17Å; D1076-R1080 VanDerWaalsContact O-CB 3.23Å; D1076-R1080 WeakPolarHBondContact O-CB 3.37Å; D1076-R1080 PolarHBondContact O-N 3.22Å
1077	V	90.3	Very high	85.9	Confident	52 Å²	52	67.5 Å²	67.5	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-48.1	177	170.7	0	0	0	0	110.7	L1008 L1073 L1074 F1075 R1080 I1081	L1008-V1077 HydrophobicContact CD1-CG2 3.86Å; L1008-V1077 HydrophobicContact CD2-CG2 3.86Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.34Å; L1073-V1077 PolarHBondContact O-N 3.03Å; L1074-V1077 PolarHBondContact O-N 3.02Å; F1075-V1077 PolarHBondContact O-N 3.31Å; V1077-R1080 PolarHBondContact O-N 2.97Å; V1077-I1081 HydrophobicContact CG1-CD1 3.78Å; V1077-I1081 VanDerWaalsContact O-CG1 3.27Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.31Å; V1077-I1081 PolarHBondContact O-N 3.24Å
1078	V	91.6	Very high	86	Confident	73 Å²	73	66.2 Å²	66.2	44%	0.442	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-45.8	177.3	170.2	0	0	0	0	111	L1074 F1075 R1080 I1081 V1082	L1074-V1078 HydrophobicContact CD1-CG2 4.27Å; L1074-V1078 WeakPolarHBondContact O-CB 3.47Å; L1074-V1078 VanDerWaalsContact O-CG2 3.31Å; L1074-V1078 WeakPolarHBondContact O-CG2 3.48Å; L1074-V1078 PolarHBondContact O-N 2.87Å; F1075-V1078 PolarHBondContact O-N 2.99Å; V1078-R1080 PolarHBondContact O-N 3.41Å; V1078-I1081 PolarHBondContact O-N 3.22Å; V1078-V1082 HydrophobicContact CG1-CG2 4.29Å; V1078-V1082 WeakPolarHBondContact O-CB 3.37Å; V1078-V1082 VanDerWaalsContact O-CG2 3.3Å; V1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; V1078-V1082 PolarHBondContact O-N 3.44Å
1079	Y	89.5	Confident	86	Confident	99 Å²	99	68.2 Å²	68.2	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-44.2	176.4	173	-112.8	0	0	0	112.1	F1075 I1081 V1082 R1083	F1075-Y1079 VanDerWaalsContact O-CB 3.25Å; F1075-Y1079 WeakPolarHBondContact O-CB 3.22Å; F1075-Y1079 PolarHBondContact O-N 3.35Å; Y1079-I1081 PolarHBondContact O-N 3.38Å; Y1079-V1082 PolarHBondContact O-N 3.03Å; Y1079-R1083 VanDerWaalsContact O-CB 3.24Å; Y1079-R1083 WeakPolarHBondContact O-CB 2.91Å; Y1079-R1083 PolarHBondContact O-N 2.48Å
1080	R	86.9	Confident	85.8	Confident	41 Å²	41	69.1 Å²	69.1	16%	0.155	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-39.6	177.8	-167.2	177.4	-168.4	84.1	-7.8	111.8	L1008 E1009 D1076 V1077 V1078 R1084	L1008-R1080 PolarHBondContact O-NE 3.34Å; L1008-R1080 PolarHBondContact O-NH2 3.01Å; E1009-R1080 VanDerWaalsContact CD-NH1 3.3Å; E1009-R1080 IonicContact OE1-NH1 3.33Å; E1009-R1080 IonicContact OE2-CZ 2.97Å; E1009-R1080 IonicContact OE2-NH1 2.73Å; E1009-R1080 PolarHBondContact OE2-NH1 3.48Å; E1009-R1080 IonicContact OE2-NH2 3.44Å; D1076-R1080 VanDerWaalsContact O-CB 3.23Å; D1076-R1080 WeakPolarHBondContact O-CB 3.37Å; D1076-R1080 PolarHBondContact O-N 3.22Å; V1077-R1080 PolarHBondContact O-N 2.97Å; V1078-R1080 PolarHBondContact O-N 3.41Å; R1080-R1084 VanDerWaalsContact O-CB 3.31Å; R1080-R1084 WeakPolarHBondContact O-CB 3.28Å; R1080-R1084 WeakPolarHBondContact O-CG 3.33Å; R1080-R1084 PolarHBondContact O-N 3.16Å
1081	I	89.2	Confident	85.3	Confident	98 Å²	98	67.2 Å²	67.2	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-55.6	173.8	-68.9	165.4	0	0	0	110.3	V1077 V1078 Y1079 R1083 R1084 T1085	V1077-I1081 HydrophobicContact CG1-CD1 3.78Å; V1077-I1081 VanDerWaalsContact O-CG1 3.27Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.31Å; V1077-I1081 PolarHBondContact O-N 3.24Å; V1078-I1081 PolarHBondContact O-N 3.22Å; Y1079-I1081 PolarHBondContact O-N 3.38Å; I1081-R1083 VanDerWaalsContact C-N 3.28Å; I1081-R1083 PolarHBondContact O-N 2.65Å; I1081-R1084 CarbonylContact O-C 3.57Å; I1081-R1084 PolarHBondContact O-N 2.87Å; I1081-R1084 VanDerWaalsContact O-N 3.08Å; I1081-T1085 WeakPolarHBondContact O-CB 3.13Å; I1081-T1085 PolarHBondContact O-N 2.95Å; I1081-T1085 PolarHBondContact O-OG1 3.23Å; I1081-T1085 VanDerWaalsContact O-OG1 3.09Å
1082	V	90.1	Very high	85.1	Confident	62 Å²	62	66.5 Å²	66.5	38%	0.376	33%	0.331	S	S	.	.	H	α-helix	trans	-55.2	-44	-179.7	168.8	0	0	0	0	111.4	V1078 Y1079 T1085 L1086	V1078-V1082 HydrophobicContact CG1-CG2 4.29Å; V1078-V1082 WeakPolarHBondContact O-CB 3.37Å; V1078-V1082 VanDerWaalsContact O-CG2 3.3Å; V1078-V1082 WeakPolarHBondContact O-CG2 3.49Å; V1078-V1082 PolarHBondContact O-N 3.44Å; Y1079-V1082 PolarHBondContact O-N 3.03Å; V1082-T1085 PolarHBondContact O-N 2.43Å; V1082-L1086 HydrophobicContact CG1-CD1 4.22Å; V1082-L1086 WeakPolarHBondContact O-CB 3.16Å; V1082-L1086 PolarHBondContact O-N 2.89Å
1083	R	86.6	Confident	85	Confident	104 Å²	104	68.5 Å²	68.5	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-49.9	175.1	-175.3	177.9	174.2	-137	-1.4	111.8	Y1079 I1081 T1085 F1087 K1088 T1089	Y1079-R1083 VanDerWaalsContact O-CB 3.24Å; Y1079-R1083 WeakPolarHBondContact O-CB 2.91Å; Y1079-R1083 PolarHBondContact O-N 2.48Å; I1081-R1083 VanDerWaalsContact C-N 3.28Å; I1081-R1083 PolarHBondContact O-N 2.65Å; R1083-T1085 VanDerWaalsContact C-N 3.27Å; R1083-T1085 PolarHBondContact O-N 2.82Å; R1083-F1087 CarbonylContact O-C 3.6Å; R1083-F1087 VanDerWaalsContact O-CA 3.3Å; R1083-F1087 WeakPolarHBondContact O-CA 3.32Å; R1083-F1087 PolarHBondContact O-N 3.04Å; R1083-K1088 PolarHBondContact O-N 3.11Å; R1083-T1089 VanDerWaalsContact NH2-CG2 3.32Å
1084	R	83.4	Confident	84.7	Confident	73 Å²	73	68.1 Å²	68.1	28%	0.275	34%	0.338	S	S	.	.	H	α-helix	trans	-71.7	-14.2	179.9	-76.1	-171.7	155.3	161.9	0.5	114.7	D1011 R1080 I1081 K1088 D1092	D1011-R1084 IonicContact OD1-CZ 2.67Å; D1011-R1084 IonicContact OD1-NH1 3.78Å; D1011-R1084 IonicContact OD1-NH2 2.77Å; D1011-R1084 PolarHBondContact OD1-NH2 2.97Å; R1080-R1084 VanDerWaalsContact O-CB 3.31Å; R1080-R1084 WeakPolarHBondContact O-CB 3.28Å; R1080-R1084 WeakPolarHBondContact O-CG 3.33Å; R1080-R1084 PolarHBondContact O-N 3.16Å; I1081-R1084 CarbonylContact O-C 3.57Å; I1081-R1084 PolarHBondContact O-N 2.87Å; I1081-R1084 VanDerWaalsContact O-N 3.08Å; R1084-K1088 VanDerWaalsContact O-CE 3.28Å; R1084-K1088 WeakPolarHBondContact O-CE 3.41Å; R1084-K1088 VanDerWaalsContact O-CG 3.28Å; R1084-K1088 WeakPolarHBondContact O-CG 3.31Å; R1084-D1092 IonicContact CZ-OD1 3.47Å; R1084-D1092 VanDerWaalsContact CZ-OD1 3.28Å; R1084-D1092 IonicContact NE-OD1 3.77Å; R1084-D1092 PolarHBondContact NE-OD1 3.1Å; R1084-D1092 IonicContact NH2-OD1 2.72Å; R1084-D1092 PolarHBondContact NH2-OD1 3.27Å
1085	T	86.4	Confident	84.2	Confident	91 Å²	91	65.9 Å²	65.9	56%	0.558	32%	0.323	S	S	*	.	H	α-helix	trans	-97.4	-44.8	175.4	-54.4	0	0	0	0	112.5	I1081 V1082 R1083	I1081-T1085 WeakPolarHBondContact O-CB 3.13Å; I1081-T1085 PolarHBondContact O-N 2.95Å; I1081-T1085 PolarHBondContact O-OG1 3.23Å; I1081-T1085 VanDerWaalsContact O-OG1 3.09Å; V1082-T1085 PolarHBondContact O-N 2.43Å; R1083-T1085 VanDerWaalsContact C-N 3.27Å; R1083-T1085 PolarHBondContact O-N 2.82Å
1086	L	87.7	Confident	84	Confident	122 Å²	122	64.5 Å²	64.5	64%	0.639	32%	0.317	S	S	*	.	H	α-helix	trans	-102.3	-25.7	-172.4	-55.1	-176.4	0	0	0	114.4	V1082	V1082-L1086 HydrophobicContact CG1-CD1 4.22Å; V1082-L1086 WeakPolarHBondContact O-CB 3.16Å; V1082-L1086 PolarHBondContact O-N 2.89Å
1087	F	83.6	Confident	83.7	Confident	148 Å²	148	65.8 Å²	65.8	65%	0.649	32%	0.324	S	S	*	.	S	Bend	trans	-132.2	49.3	-172.2	-59.3	-73.1	0	0	0	111.3	R1083 T1089	R1083-F1087 CarbonylContact O-C 3.6Å; R1083-F1087 VanDerWaalsContact O-CA 3.3Å; R1083-F1087 WeakPolarHBondContact O-CA 3.32Å; R1083-F1087 PolarHBondContact O-N 3.04Å; F1087-T1089 PolarHBondContact O-N 2.81Å
1088	K	79.5	Confident	83.3	Confident	80 Å²	80	65.9 Å²	65.9	35%	0.348	32%	0.321	S	S	.	.			trans	-53.8	128.7	-178.7	-61.2	-165.9	-173.2	-154.6	0	110.7	R1083 R1084 E1093 E1096	R1083-K1088 PolarHBondContact O-N 3.11Å; R1084-K1088 VanDerWaalsContact O-CE 3.28Å; R1084-K1088 WeakPolarHBondContact O-CE 3.41Å; R1084-K1088 VanDerWaalsContact O-CG 3.28Å; R1084-K1088 WeakPolarHBondContact O-CG 3.31Å; K1088-E1093 HydrophobicContact CB-CG 3.72Å; K1088-E1093 HydrophobicContact CD-CG 4.12Å; K1088-E1096 IonicContact NZ-OE1 3.76Å; K1088-E1096 PolarHBondContact NZ-OE1 2.86Å; K1088-E1096 IonicContact NZ-OE2 2.64Å; K1088-E1096 PolarHBondContact NZ-OE2 3Å
1089	T	77.2	Confident	82.8	Confident	45 Å²	45	68.3 Å²	68.3	28%	0.276	33%	0.331	S	S	.	.			trans	-77.8	159.9	167.1	71.5	0	0	0	0	109.7	R1083 F1087 A1091 D1092 E1093	R1083-T1089 VanDerWaalsContact NH2-CG2 3.32Å; F1087-T1089 PolarHBondContact O-N 2.81Å; T1089-A1091 PolarHBondContact O-N 2.71Å; T1089-A1091 PolarHBondContact OG1-N 3.44Å; T1089-D1092 WeakPolarHBondContact CB-OD2 3.36Å; T1089-D1092 PolarHBondContact N-OD2 3.25Å; T1089-D1092 WeakPolarHBondContact O-CA 3.32Å; T1089-D1092 WeakPolarHBondContact O-CB 3.4Å; T1089-D1092 PolarHBondContact O-N 3.47Å; T1089-D1092 VanDerWaalsContact OG1-CG 3.32Å; T1089-D1092 PolarHBondContact OG1-N 3.38Å; T1089-D1092 PolarHBondContact OG1-OD2 3.32Å; T1089-E1093 PolarHBondContact O-N 3.13Å
1090	L	73.6	Confident	82.5	Confident	23 Å²	23	66.4 Å²	66.4	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-55.6	-34.8	174	-179	65.4	0	0	0	112.3	L902 E1093 V1094 V1107 L1111	L902-L1090 HydrophobicContact CD1-CD2 4.38Å; L902-L1090 HydrophobicContact CD2-CB 4.38Å; L902-L1090 HydrophobicContact CD2-CD2 4.32Å; L1090-E1093 PolarHBondContact O-N 3.43Å; L1090-V1094 HydrophobicContact CD1-CG2 4.02Å; L1090-V1094 HydrophobicContact CG-CG2 4.33Å; L1090-V1094 WeakPolarHBondContact O-CB 3.17Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.23Å; L1090-V1094 PolarHBondContact O-N 3.33Å; L1090-V1107 HydrophobicContact CD1-CG1 3.52Å; L1090-L1111 HydrophobicContact CD2-CD1 3.42Å; L1090-L1111 VanDerWaalsContact CD2-CD1 3.42Å; L1090-L1111 HydrophobicContact CD2-CD2 3.88Å; L1090-L1111 HydrophobicContact CD2-CG 3.6Å
1091	A	75.1	Confident	82.1	Confident	36 Å²	36	73.3 Å²	73.3	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-38.4	175.3	0	0	0	0	0	112.1	L902 T1089 R1095	L902-A1091 HydrophobicContact CD1-CB 4.19Å; T1089-A1091 PolarHBondContact O-N 2.71Å; T1089-A1091 PolarHBondContact OG1-N 3.44Å; A1091-R1095 WeakPolarHBondContact O-CB 3.34Å; A1091-R1095 PolarHBondContact O-N 3.23Å
1092	D	78.8	Confident	81.6	Confident	13 Å²	13	74.3 Å²	74.3	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-67	-45.3	173.8	-56.9	-67.2	0	0	0	110.9	R1084 T1089 R1095 E1096	R1084-D1092 IonicContact CZ-OD1 3.47Å; R1084-D1092 VanDerWaalsContact CZ-OD1 3.28Å; R1084-D1092 IonicContact NE-OD1 3.77Å; R1084-D1092 PolarHBondContact NE-OD1 3.1Å; R1084-D1092 IonicContact NH2-OD1 2.72Å; R1084-D1092 PolarHBondContact NH2-OD1 3.27Å; T1089-D1092 WeakPolarHBondContact CB-OD2 3.36Å; T1089-D1092 PolarHBondContact N-OD2 3.25Å; T1089-D1092 WeakPolarHBondContact O-CA 3.32Å; T1089-D1092 WeakPolarHBondContact O-CB 3.4Å; T1089-D1092 PolarHBondContact O-N 3.47Å; T1089-D1092 VanDerWaalsContact OG1-CG 3.32Å; T1089-D1092 PolarHBondContact OG1-N 3.38Å; T1089-D1092 PolarHBondContact OG1-OD2 3.32Å; D1092-R1095 PolarHBondContact O-N 3.08Å; D1092-E1096 WeakPolarHBondContact O-CB 3.04Å; D1092-E1096 WeakPolarHBondContact O-CG 3.36Å; D1092-E1096 PolarHBondContact O-N 3.45Å
1093	E	81.4	Confident	80.8	Confident	42 Å²	42	75.3 Å²	75.3	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-44.7	179.7	-65.1	-170	130.3	0	0	112.8	K1088 T1089 L1090 R1095 E1096 L1097 V1107 K1110	K1088-E1093 HydrophobicContact CB-CG 3.72Å; K1088-E1093 HydrophobicContact CD-CG 4.12Å; T1089-E1093 PolarHBondContact O-N 3.13Å; L1090-E1093 PolarHBondContact O-N 3.43Å; E1093-R1095 VanDerWaalsContact C-N 3.34Å; E1093-E1096 PolarHBondContact O-N 3.46Å; E1093-L1097 WeakPolarHBondContact O-CG 3.38Å; E1093-L1097 PolarHBondContact O-N 2.79Å; E1093-L1097 VanDerWaalsContact O-N 3.13Å; E1093-V1107 HydrophobicContact CB-CG1 4.09Å; E1093-V1107 WeakPolarHBondContact OE2-CG1 3.09Å; E1093-K1110 IonicContact OE1-NZ 3.59Å; E1093-K1110 PolarHBondContact OE1-NZ 3.32Å; E1093-K1110 IonicContact OE2-NZ 3.67Å; E1093-K1110 PolarHBondContact OE2-NZ 2.83Å
1094	V	81.3	Confident	80.1	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-35.7	178.3	169.3	0	0	0	0	111.3	T892 L899 L1090 L1097 E1098 P1104 L1108	T892-V1094 HydrophobicContact CG2-CG1 4.15Å; L899-V1094 HydrophobicContact CD1-CG1 4.18Å; L899-V1094 HydrophobicContact CD2-CB 4.31Å; L899-V1094 HydrophobicContact CD2-CG1 4.11Å; L899-V1094 HydrophobicContact CD2-CG2 4.1Å; L1090-V1094 HydrophobicContact CD1-CG2 4.02Å; L1090-V1094 HydrophobicContact CG-CG2 4.33Å; L1090-V1094 WeakPolarHBondContact O-CB 3.17Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.23Å; L1090-V1094 PolarHBondContact O-N 3.33Å; V1094-L1097 PolarHBondContact O-N 2.92Å; V1094-E1098 WeakPolarHBondContact O-CB 3.48Å; V1094-E1098 PolarHBondContact O-N 3.42Å; V1094-P1104 HydrophobicContact CB-CB 4.21Å; V1094-P1104 HydrophobicContact CG1-CB 3.76Å; V1094-P1104 HydrophobicContact CG1-CG 4.01Å; V1094-P1104 HydrophobicContact CG2-CB 3.98Å; V1094-L1108 HydrophobicContact CG2-CD2 4.38Å
1095	R	79.3	Confident	79.4	Confident	59 Å²	59	69.9 Å²	69.9	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-68.6	-39.6	174.6	-177.5	-176.1	171.6	174.3	7.5	112.6	D1011 A1091 D1092 E1093 L1097 E1098 L1099	D1011-R1095 VanDerWaalsContact CA-NH1 3.3Å; D1011-R1095 VanDerWaalsContact CB-NH1 3.26Å; D1011-R1095 VanDerWaalsContact O-CZ 3.24Å; D1011-R1095 PolarHBondContact O-NH1 2.87Å; D1011-R1095 PolarHBondContact O-NH2 3.43Å; D1011-R1095 IonicContact OD1-NH1 2.81Å; D1011-R1095 PolarHBondContact OD1-NH1 3.37Å; A1091-R1095 WeakPolarHBondContact O-CB 3.34Å; A1091-R1095 PolarHBondContact O-N 3.23Å; D1092-R1095 PolarHBondContact O-N 3.08Å; E1093-R1095 VanDerWaalsContact C-N 3.34Å; R1095-L1097 VanDerWaalsContact C-N 3.29Å; R1095-L1097 PolarHBondContact O-N 2.99Å; R1095-E1098 PolarHBondContact O-N 2.99Å; R1095-L1099 HydrophobicContact CG-CD1 4.14Å; R1095-L1099 HydrophobicContact CG-CG 4.45Å; R1095-L1099 WeakPolarHBondContact O-CB 3.27Å; R1095-L1099 VanDerWaalsContact O-CG 3.31Å; R1095-L1099 WeakPolarHBondContact O-CG 3.36Å; R1095-L1099 PolarHBondContact O-N 2.92Å
1096	E	82.5	Confident	78.7	Confident	84 Å²	84	71.3 Å²	71.3	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-41.8	173.5	-78.7	178.4	172.2	0	0	111.1	K1088 D1092 E1093 L1099 S1100	K1088-E1096 IonicContact NZ-OE1 3.76Å; K1088-E1096 PolarHBondContact NZ-OE1 2.86Å; K1088-E1096 IonicContact NZ-OE2 2.64Å; K1088-E1096 PolarHBondContact NZ-OE2 3Å; D1092-E1096 WeakPolarHBondContact O-CB 3.04Å; D1092-E1096 WeakPolarHBondContact O-CG 3.36Å; D1092-E1096 PolarHBondContact O-N 3.45Å; E1093-E1096 PolarHBondContact O-N 3.46Å; E1096-L1099 PolarHBondContact O-N 3.38Å; E1096-S1100 WeakPolarHBondContact O-CB 3.33Å; E1096-S1100 PolarHBondContact O-N 3.28Å; E1096-S1100 PolarHBondContact O-OG 3.11Å
1097	L	83.4	Confident	77.9	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.183	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-44.6	176.6	-68.8	169.6	0	0	0	111.8	E1093 V1094 R1095 L1099 S1100 Q1101 M1102 P1104 V1107	E1093-L1097 WeakPolarHBondContact O-CG 3.38Å; E1093-L1097 PolarHBondContact O-N 2.79Å; E1093-L1097 VanDerWaalsContact O-N 3.13Å; V1094-L1097 PolarHBondContact O-N 2.92Å; R1095-L1097 VanDerWaalsContact C-N 3.29Å; R1095-L1097 PolarHBondContact O-N 2.99Å; L1097-L1099 VanDerWaalsContact C-N 3.34Å; L1097-L1099 PolarHBondContact O-N 2.89Å; L1097-S1100 WeakPolarHBondContact CA-OG 3.4Å; L1097-S1100 CarbonylContact O-C 3.55Å; L1097-S1100 PolarHBondContact O-N 2.94Å; L1097-S1100 VanDerWaalsContact O-N 3.1Å; L1097-S1100 PolarHBondContact O-OG 3.26Å; L1097-Q1101 PolarHBondContact O-N 3.44Å; L1097-M1102 CarbonylContact C-O 3.57Å; L1097-M1102 HydrophobicContact CB-CB 4.44Å; L1097-M1102 HydrophobicContact CD2-CB 3.8Å; L1097-M1102 HydrophobicContact CD2-SD 4.21Å; L1097-M1102 PolarHBondContact O-N 2.86Å; L1097-P1104 HydrophobicContact CB-CB 4.23Å; L1097-P1104 HydrophobicContact CD1-CB 4.21Å; L1097-V1107 HydrophobicContact CD1-CB 4.35Å; L1097-V1107 HydrophobicContact CD1-CG2 3.48Å; L1097-V1107 VanDerWaalsContact CD1-CG2 3.48Å
1098	E	82.3	Confident	77.2	Confident	54 Å²	54	59.7 Å²	59.7	25%	0.252	32%	0.316	S	S	.	.	H	α-helix	trans	-56.9	-43.1	172.6	-179.3	169.3	-118.6	0	0	112.3	A888 S889 T892 V1094 R1095 S1100 Q1101	A888-E1098 WeakPolarHBondContact CA-OE2 3.42Å; S889-E1098 WeakPolarHBondContact CB-OE1 3.38Å; S889-E1098 PolarHBondContact N-OE1 3.23Å; S889-E1098 VanDerWaalsContact N-OE1 3.13Å; S889-E1098 PolarHBondContact N-OE2 3.33Å; S889-E1098 PolarHBondContact OG-OE1 2.87Å; T892-E1098 VanDerWaalsContact CB-OE1 3.25Å; T892-E1098 WeakPolarHBondContact CB-OE1 3.43Å; T892-E1098 PolarHBondContact OG1-OE1 2.92Å; V1094-E1098 WeakPolarHBondContact O-CB 3.48Å; V1094-E1098 PolarHBondContact O-N 3.42Å; R1095-E1098 PolarHBondContact O-N 2.99Å; E1098-S1100 VanDerWaalsContact C-N 3.35Å; E1098-S1100 PolarHBondContact O-N 3.13Å; E1098-Q1101 PolarHBondContact O-N 3.32Å
1099	L	81.2	Confident	76.2	Confident	124 Å²	124	59.2 Å²	59.2	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-68.9	-29.7	175.9	-72.8	171.1	0	0	0	113.3	R1095 E1096 L1097 Q1101	R1095-L1099 HydrophobicContact CG-CD1 4.14Å; R1095-L1099 HydrophobicContact CG-CG 4.45Å; R1095-L1099 WeakPolarHBondContact O-CB 3.27Å; R1095-L1099 VanDerWaalsContact O-CG 3.31Å; R1095-L1099 WeakPolarHBondContact O-CG 3.36Å; R1095-L1099 PolarHBondContact O-N 2.92Å; E1096-L1099 PolarHBondContact O-N 3.38Å; L1097-L1099 VanDerWaalsContact C-N 3.34Å; L1097-L1099 PolarHBondContact O-N 2.89Å; L1099-Q1101 VanDerWaalsContact C-N 3.3Å
1100	S	82.9	Confident	75.4	Confident	58 Å²	58	63 Å²	63	41%	0.406	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.7	173.5	71.7	0	0	0	0	114.1	E1096 L1097 E1098 M1102	E1096-S1100 WeakPolarHBondContact O-CB 3.33Å; E1096-S1100 PolarHBondContact O-N 3.28Å; E1096-S1100 PolarHBondContact O-OG 3.11Å; L1097-S1100 WeakPolarHBondContact CA-OG 3.4Å; L1097-S1100 CarbonylContact O-C 3.55Å; L1097-S1100 PolarHBondContact O-N 2.94Å; L1097-S1100 VanDerWaalsContact O-N 3.1Å; L1097-S1100 PolarHBondContact O-OG 3.26Å; E1098-S1100 VanDerWaalsContact C-N 3.35Å; E1098-S1100 PolarHBondContact O-N 3.13Å; S1100-M1102 PolarHBondContact O-N 3.31Å; S1100-M1102 WeakPolarHBondContact OG-CG 3.1Å
1101	Q	79.3	Confident	74.5	Confident	186 Å²	186	64.5 Å²	64.5	87%	0.869	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	24.6	-173.8	-55.9	-176.8	-15.9	0	0	114.2	L1097 E1098 L1099	L1097-Q1101 PolarHBondContact O-N 3.44Å; E1098-Q1101 PolarHBondContact O-N 3.32Å; L1099-Q1101 VanDerWaalsContact C-N 3.3Å
1102	M	77.5	Confident	73.4	Confident	120 Å²	120	67.4 Å²	67.4	59%	0.591	35%	0.352	S	S	*	.			trans	-95.2	145.6	175	-66	-173.3	-177.7	0	0	110.9	L1097 S1100 P1104	L1097-M1102 CarbonylContact C-O 3.57Å; L1097-M1102 HydrophobicContact CB-CB 4.44Å; L1097-M1102 HydrophobicContact CD2-CB 3.8Å; L1097-M1102 HydrophobicContact CD2-SD 4.21Å; L1097-M1102 PolarHBondContact O-N 2.86Å; S1100-M1102 PolarHBondContact O-N 3.31Å; S1100-M1102 WeakPolarHBondContact OG-CG 3.1Å; M1102-P1104 WeakPolarHBondContact O-CD 3.47Å
1103	D	73.5	Confident	71.9	Confident	83 Å²	83	76 Å²	76	44%	0.444	39%	0.388	S	S	.	.			trans	-75.1	120.5	-177	-129.1	-9.1	0	0	0	110.8	K895 Y896 S1105	K895-D1103 IonicContact NZ-OD1 3.86Å; K895-D1103 PolarHBondContact NZ-OD1 2.85Å; K895-D1103 IonicContact NZ-OD2 3.7Å; K895-D1103 PolarHBondContact NZ-OD2 3.39Å; Y896-D1103 PolarHBondContact OH-OD1 2.75Å; Y896-D1103 PolarHBondContact OH-OD2 3.14Å; D1103-S1105 PolarHBondContact O-N 2.94Å
1104	P	71.2	Confident	70.2	Confident	5 Å²	5	85.5 Å²	85.5	3%	0.032	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-73.1	3.1	-172.7	27.9	-34.7	0	0	0	114.9	T892 Y896 V1094 L1097 M1102 V1106 V1107 L1108	T892-P1104 HydrophobicContact CG2-CG 4.39Å; Y896-P1104 HydrophobicContact CD2-CG 3.71Å; Y896-P1104 HydrophobicContact CE2-CG 3.38Å; V1094-P1104 HydrophobicContact CB-CB 4.21Å; V1094-P1104 HydrophobicContact CG1-CB 3.76Å; V1094-P1104 HydrophobicContact CG1-CG 4.01Å; V1094-P1104 HydrophobicContact CG2-CB 3.98Å; L1097-P1104 HydrophobicContact CB-CB 4.23Å; L1097-P1104 HydrophobicContact CD1-CB 4.21Å; M1102-P1104 WeakPolarHBondContact O-CD 3.47Å; P1104-V1106 PolarHBondContact O-N 3.28Å; P1104-V1106 VanDerWaalsContact O-N 3.09Å; P1104-V1107 PolarHBondContact O-N 2.94Å; P1104-L1108 PolarHBondContact O-N 2.93Å
1105	S	69.9	Low	68.5	Low	58 Å²	58	88.8 Å²	88.8	41%	0.406	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-51.6	-27.4	171.9	57.4	0	0	0	0	113.7	D1103 V1107 P1109	D1103-S1105 PolarHBondContact O-N 2.94Å; S1105-V1107 VanDerWaalsContact C-N 3.31Å; S1105-V1107 PolarHBondContact O-N 3.26Å; S1105-P1109 WeakPolarHBondContact O-CD 3.08Å
1106	V	71.5	Confident	66.6	Low	120 Å²	120	96.6 Å²	96.6	73%	0.727	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.5	-32.5	177.4	-176	0	0	0	0	112.8	P1104	P1104-V1106 PolarHBondContact O-N 3.28Å; P1104-V1106 VanDerWaalsContact O-N 3.09Å
1107	V	70.9	Confident	65	Low	17 Å²	17	96.2 Å²	96.2	10%	0.103	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-33	-172.2	175.4	0	0	0	0	112.6	L1090 E1093 L1097 P1104 S1105 P1109 K1110	L1090-V1107 HydrophobicContact CD1-CG1 3.52Å; E1093-V1107 HydrophobicContact CB-CG1 4.09Å; E1093-V1107 WeakPolarHBondContact OE2-CG1 3.09Å; L1097-V1107 HydrophobicContact CD1-CB 4.35Å; L1097-V1107 HydrophobicContact CD1-CG2 3.48Å; L1097-V1107 VanDerWaalsContact CD1-CG2 3.48Å; P1104-V1107 PolarHBondContact O-N 2.94Å; S1105-V1107 VanDerWaalsContact C-N 3.31Å; S1105-V1107 PolarHBondContact O-N 3.26Å; V1107-P1109 VanDerWaalsContact C-N 3.32Å; V1107-P1109 VanDerWaalsContact O-N 3.17Å; V1107-K1110 HydrophobicContact CG1-CD 4.04Å; V1107-K1110 WeakPolarHBondContact O-CB 3.36Å; V1107-K1110 VanDerWaalsContact O-CG 3.28Å; V1107-K1110 WeakPolarHBondContact O-CG 3.32Å; V1107-K1110 PolarHBondContact O-N 3.12Å
1108	L	68.2	Low	63.4	Low	9 Å²	9	99 Å²	99	5%	0.047	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.6	-175	-65.3	168.2	0	0	0	115.9	Y896 L899 V1094 P1104 K1110 L1111	Y896-L1108 HydrophobicContact CD1-CD1 3.16Å; Y896-L1108 HydrophobicContact CE1-CD1 3.82Å; Y896-L1108 HydrophobicContact CG-CD1 3.54Å; L899-L1108 HydrophobicContact CD2-CD2 4.27Å; V1094-L1108 HydrophobicContact CG2-CD2 4.38Å; P1104-L1108 PolarHBondContact O-N 2.93Å; L1108-K1110 PolarHBondContact O-N 3.37Å; L1108-L1111 WeakPolarHBondContact O-CB 3.35Å; L1108-L1111 PolarHBondContact O-N 3.28Å
1109	P	59.6	Low	61.6	Low	70 Å²	70	104 Å²	104	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-55.2	-20	170.3	-30.3	37.3	0	0	0	115.1	S1105 V1107 L1111 I1112 K1113	S1105-P1109 WeakPolarHBondContact O-CD 3.08Å; V1107-P1109 VanDerWaalsContact C-N 3.32Å; V1107-P1109 VanDerWaalsContact O-N 3.17Å; P1109-L1111 PolarHBondContact O-N 3.26Å; P1109-I1112 PolarHBondContact O-N 3.25Å; P1109-K1113 PolarHBondContact O-N 2.83Å
1110	K	59.7	Low	60.1	Low	125 Å²	125	100 Å²	100	54%	0.543	50%	0.502	S	S	.	.	H	α-helix	trans	-58.3	-34.2	170.7	-67	-179.5	-171.7	-179.5	0	112.7	E1093 V1107 L1108	E1093-K1110 IonicContact OE1-NZ 3.59Å; E1093-K1110 PolarHBondContact OE1-NZ 3.32Å; E1093-K1110 IonicContact OE2-NZ 3.67Å; E1093-K1110 PolarHBondContact OE2-NZ 2.83Å; V1107-K1110 HydrophobicContact CG1-CD 4.04Å; V1107-K1110 WeakPolarHBondContact O-CB 3.36Å; V1107-K1110 VanDerWaalsContact O-CG 3.28Å; V1107-K1110 WeakPolarHBondContact O-CG 3.32Å; V1107-K1110 PolarHBondContact O-N 3.12Å; L1108-K1110 PolarHBondContact O-N 3.37Å
1111	L	54.4	Low	58.4	Low	55 Å²	55	98 Å²	98	29%	0.288	49%	0.489	S	S	.	.	H	α-helix	trans	-76.5	-35.2	175	-72.2	179.7	0	0	0	112.9	T898 L1090 L1108 P1109 K1113	T898-L1111 WeakPolarHBondContact O-CD1 3.48Å; L1090-L1111 HydrophobicContact CD2-CD1 3.42Å; L1090-L1111 VanDerWaalsContact CD2-CD1 3.42Å; L1090-L1111 HydrophobicContact CD2-CD2 3.88Å; L1090-L1111 HydrophobicContact CD2-CG 3.6Å; L1108-L1111 WeakPolarHBondContact O-CB 3.35Å; L1108-L1111 PolarHBondContact O-N 3.28Å; P1109-L1111 PolarHBondContact O-N 3.26Å; L1111-K1113 VanDerWaalsContact C-N 3.27Å; L1111-K1113 PolarHBondContact O-N 2.83Å
1112	I	53.6	Low	57	Low	97 Å²	97	98.3 Å²	98.3	50%	0.497	48%	0.482	S	S	.	.	H	α-helix	trans	-74.3	-21.7	-172	-57.5	175.5	0	0	0	111.4	P1109 R1114 S1115	P1109-I1112 PolarHBondContact O-N 3.25Å; I1112-R1114 PolarHBondContact O-N 3.43Å; I1112-S1115 PolarHBondContact O-N 3.05Å; I1112-S1115 PolarHBondContact O-OG 2.84Å
1113	K	46.2	Very low	55.7	Low	193 Å²	193	98.2 Å²	98.2	84%	0.839	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	24.6	-168.4	-134.2	176.8	-173.2	-179.7	0	116.8	P1109 L1111	P1109-K1113 PolarHBondContact O-N 2.83Å; L1111-K1113 VanDerWaalsContact C-N 3.27Å; L1111-K1113 PolarHBondContact O-N 2.83Å
1114	R	46	Very low	54.8	Low	242 Å²	242	95 Å²	95	91%	0.913	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-6.5	177.3	-127.2	176.9	-175.5	170.8	0.8	115.6	I1112	I1112-R1114 PolarHBondContact O-N 3.43Å
1115	S	44.7	Very low	53.9	Low	71 Å²	71	100.9 Å²	100.9	50%	0.497	49%	0.488	S	S	.	.			trans	-88.2	109.2	175.3	45.3	0	0	0	0	112.3	I1112 L1117	I1112-S1115 PolarHBondContact O-N 3.05Å; I1112-S1115 PolarHBondContact O-OG 2.84Å; S1115-L1117 PolarHBondContact O-N 2.93Å
1116	R	40.8	Very low	53	Low	223 Å²	223	102.6 Å²	102.6	84%	0.842	50%	0.496	S	S	*	.			trans	-78.3	29.7	173.7	-75.9	-177.5	165.5	178.7	-5.3	113.5	S1118	R1116-S1118 PolarHBondContact O-N 3.5Å
1117	L	47.2	Very low	52	Low	75 Å²	75	100.2 Å²	100.2	39%	0.393	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	24.4	-156.6	-93.8	175.5	0	0	0	117.1	D692 S1115	D692-L1117 HydrophobicContact CB-CD2 3.91Å; S1115-L1117 PolarHBondContact O-N 2.93Å
1118	S	50.8	Low	51	Low	95 Å²	95	100.3 Å²	100.3	66%	0.664	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-46.3	179.2	-168.5	0	0	0	0	113.5	R1116 R1122	R1116-S1118 PolarHBondContact O-N 3.5Å; S1118-R1122 PolarHBondContact O-N 2.75Å
1119	E	44.6	Very low	50	Low	158 Å²	158	111 Å²	111	74%	0.738	52%	0.52	S	S	*	.	H	α-helix	trans	-80.6	-39.3	-177.2	-65.9	-174.1	124.7	0	0	112.3	R1122 L1123	E1119-R1122 WeakPolarHBondContact O-CB 3.41Å; E1119-R1122 PolarHBondContact O-N 3.13Å; E1119-R1122 VanDerWaalsContact O-N 3.13Å; E1119-L1123 PolarHBondContact O-N 3.29Å
1120	T	48.7	Very low	49	Very low	40 Å²	40	118.7 Å²	118.7	25%	0.245	54%	0.54	C	S	.	.	H	α-helix	trans	-60.4	-49.1	176.4	50.1	0	0	0	0	111.4	R1122 L1123 L1124	T1120-R1122 PolarHBondContact O-N 3.05Å; T1120-L1123 PolarHBondContact O-N 2.75Å; T1120-L1123 VanDerWaalsContact O-N 3.13Å; T1120-L1124 WeakPolarHBondContact O-CG 3.21Å; T1120-L1124 PolarHBondContact O-N 3.44Å
1121	A	47.6	Very low	48	Very low	16 Å²	16	116.4 Å²	116.4	13%	0.132	54%	0.537	C	S	.	.	H	α-helix	trans	-57.4	-33.4	175	0	0	0	0	0	112.8	R1125	A1121-R1125 WeakPolarHBondContact O-CB 3.13Å; A1121-R1125 WeakPolarHBondContact O-CG 3.24Å; A1121-R1125 PolarHBondContact O-N 3.22Å; A1121-R1125 VanDerWaalsContact O-N 3.14Å
1122	R	49.6	Very low	47.2	Very low	192 Å²	192	116.8 Å²	116.8	73%	0.725	54%	0.541	S	S	*	.	H	α-helix	trans	-75.9	-36.2	177.6	-160.1	174.5	-172.1	173.5	1.9	112.6	S1118 E1119 T1120 T1126	S1118-R1122 PolarHBondContact O-N 2.75Å; E1119-R1122 WeakPolarHBondContact O-CB 3.41Å; E1119-R1122 PolarHBondContact O-N 3.13Å; E1119-R1122 VanDerWaalsContact O-N 3.13Å; T1120-R1122 PolarHBondContact O-N 3.05Å; R1122-T1126 PolarHBondContact O-N 3.27Å; R1122-T1126 PolarHBondContact O-OG1 3.17Å
1123	L	51.7	Low	46	Very low	118 Å²	118	117.4 Å²	117.4	62%	0.618	55%	0.554	S	S	*	*	H	α-helix	trans	-67.5	-49.4	172	-72.6	167.9	0	0	0	111.5	E1119 T1120 R1125 T1126 V1127	E1119-L1123 PolarHBondContact O-N 3.29Å; T1120-L1123 PolarHBondContact O-N 2.75Å; T1120-L1123 VanDerWaalsContact O-N 3.13Å; L1123-R1125 VanDerWaalsContact C-N 3.35Å; L1123-R1125 PolarHBondContact O-N 3.28Å; L1123-T1126 WeakPolarHBondContact O-CA 3.25Å; L1123-T1126 WeakPolarHBondContact O-CB 3.32Å; L1123-T1126 PolarHBondContact O-N 3.14Å; L1123-V1127 PolarHBondContact O-N 2.95Å
1124	L	53.1	Low	45.6	Very low	17 Å²	17	111.9 Å²	111.9	9%	0.089	54%	0.536	C	S	.	.	H	α-helix	trans	-58.4	-42.9	178.2	-67.1	178.6	0	0	0	111.8	V693 T1120 T1126 V1127 F1128	V693-L1124 HydrophobicContact CG2-CD1 4.27Å; T1120-L1124 WeakPolarHBondContact O-CG 3.21Å; T1120-L1124 PolarHBondContact O-N 3.44Å; L1124-T1126 PolarHBondContact O-N 3.11Å; L1124-T1126 VanDerWaalsContact O-N 3.14Å; L1124-V1127 PolarHBondContact O-N 2.91Å; L1124-F1128 HydrophobicContact CB-CD2 4.09Å; L1124-F1128 HydrophobicContact CB-CE2 4.19Å; L1124-F1128 HydrophobicContact CD2-CE2 4.03Å; L1124-F1128 WeakPolarHBondContact O-CD2 2.87Å; L1124-F1128 PolarHBondContact O-N 2.96Å
1125	R	53.1	Low	45.2	Very low	128 Å²	128	105.7 Å²	105.7	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-58.4	-23.8	171.6	-79.2	-174.5	-160.4	154	15.3	114.3	G658 A1121 L1123 R1129	G658-R1125 PolarHBondContact O-NE 3.28Å; G658-R1125 PolarHBondContact O-NH2 3.4Å; A1121-R1125 WeakPolarHBondContact O-CB 3.13Å; A1121-R1125 WeakPolarHBondContact O-CG 3.24Å; A1121-R1125 PolarHBondContact O-N 3.22Å; A1121-R1125 VanDerWaalsContact O-N 3.14Å; L1123-R1125 VanDerWaalsContact C-N 3.35Å; L1123-R1125 PolarHBondContact O-N 3.28Å; R1125-R1129 WeakPolarHBondContact O-CB 3.3Å
1126	T	51.6	Low	44.9	Very low	93 Å²	93	104.9 Å²	104.9	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-88.8	-31.7	-179.9	-50.8	0	0	0	0	111.7	R1122 L1123 L1124	R1122-T1126 PolarHBondContact O-N 3.27Å; R1122-T1126 PolarHBondContact O-OG1 3.17Å; L1123-T1126 WeakPolarHBondContact O-CA 3.25Å; L1123-T1126 WeakPolarHBondContact O-CB 3.32Å; L1123-T1126 PolarHBondContact O-N 3.14Å; L1124-T1126 PolarHBondContact O-N 3.11Å; L1124-T1126 VanDerWaalsContact O-N 3.14Å
1127	V	49.8	Very low	45	Very low	71 Å²	71	99.1 Å²	99.1	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-75.6	-60.6	173.8	178.8	0	0	0	0	110.7	L1123 L1124 R1129 R1130	L1123-V1127 PolarHBondContact O-N 2.95Å; L1124-V1127 PolarHBondContact O-N 2.91Å; V1127-R1129 PolarHBondContact O-N 2.89Å; V1127-R1130 PolarHBondContact O-N 3.15Å
1128	F	50.1	Low	45.2	Very low	19 Å²	19	97.2 Å²	97.2	8%	0.083	51%	0.507	C	S	.	.	H	α-helix	trans	-60.7	-20.6	-176.4	-73.7	-62.7	0	0	0	114.1	A660 L662 D682 L1124 R1130	A660-F1128 HydrophobicContact CB-CD2 4.33Å; L662-F1128 HydrophobicContact CD2-CD1 4.34Å; L662-F1128 HydrophobicContact CD2-CE1 3.78Å; L662-F1128 HydrophobicContact CD2-CZ 3.9Å; D682-F1128 HydrophobicContact CB-CE1 3.59Å; D682-F1128 HydrophobicContact CB-CZ 3.85Å; D682-F1128 WeakPolarHBondContact OD2-CE1 3.47Å; L1124-F1128 HydrophobicContact CB-CD2 4.09Å; L1124-F1128 HydrophobicContact CB-CE2 4.19Å; L1124-F1128 HydrophobicContact CD2-CE2 4.03Å; L1124-F1128 WeakPolarHBondContact O-CD2 2.87Å; L1124-F1128 PolarHBondContact O-N 2.96Å; F1128-R1130 PolarHBondContact O-N 3.45Å
1129	R	46.3	Very low	45.2	Very low	232 Å²	232	96.5 Å²	96.5	88%	0.875	49%	0.493	S	S	*	.	H	α-helix	trans	-67.4	-6.4	171	-102.4	-171.5	170.4	-160.9	-3	114.7	R1125 V1127	R1125-R1129 WeakPolarHBondContact O-CB 3.3Å; V1127-R1129 PolarHBondContact O-N 2.89Å
1130	R	40.1	Very low	45.6	Very low	233 Å²	233	90.1 Å²	90.1	88%	0.879	46%	0.464	S	S	*	.	H	α-helix	trans	-112.2	-18.2	179.5	-79.9	-179	160	168.6	-5.6	115.1	V1127 F1128	V1127-R1130 PolarHBondContact O-N 3.15Å; F1128-R1130 PolarHBondContact O-N 3.45Å
1131	T	36.9	Very low	46.1	Very low	76 Å²	76	89.1 Å²	89.1	47%	0.466	46%	0.457	S	S	.	.	H	α-helix	trans	-107.7	-17.8	-169.5	-16.3	0	0	0	0	115	S1133	T1131-S1133 PolarHBondContact O-N 3.25Å; T1131-S1133 VanDerWaalsContact O-N 3.16Å
1132	V	37.9	Very low	46.9	Very low	64 Å²	64	95.7 Å²	95.7	39%	0.388	48%	0.479	S	S	.	.			trans	-85.2	93.8	-172.7	-176.7	0	0	0	0	111.8	T1134	V1132-T1134 VanDerWaalsContact C-N 3.34Å; V1132-T1134 VanDerWaalsContact CG1-OG1 3.27Å; V1132-T1134 WeakPolarHBondContact CG1-OG1 3.2Å; V1132-T1134 PolarHBondContact O-N 2.86Å
1133	S	28.2	Very low	48	Very low	109 Å²	109	87 Å²	87	76%	0.762	45%	0.446	S	S	*	.			trans	-87.5	14.4	179.4	53.3	0	0	0	0	115	T1131 V1135	T1131-S1133 PolarHBondContact O-N 3.25Å; T1131-S1133 VanDerWaalsContact O-N 3.16Å; S1133-V1135 VanDerWaalsContact C-N 3.31Å; S1133-V1135 PolarHBondContact O-N 3.41Å; S1133-V1135 VanDerWaalsContact O-N 3.17Å
1134	T	37.6	Very low	48.9	Very low	77 Å²	77	81.3 Å²	81.3	47%	0.472	42%	0.417	S	S	.	.			trans	-88.3	60.9	173.7	38.9	0	0	0	0	112.2	V1132 G1136	V1132-T1134 VanDerWaalsContact C-N 3.34Å; V1132-T1134 VanDerWaalsContact CG1-OG1 3.27Å; V1132-T1134 WeakPolarHBondContact CG1-OG1 3.2Å; V1132-T1134 PolarHBondContact O-N 2.86Å; T1134-G1136 VanDerWaalsContact C-N 3.34Å; T1134-G1136 PolarHBondContact O-N 3.42Å
1135	V	38.9	Very low	50.3	Low	112 Å²	112	81.1 Å²	81.1	68%	0.679	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-165.2	-177	0	0	0	0	114.7	S1133	S1133-V1135 VanDerWaalsContact C-N 3.31Å; S1133-V1135 PolarHBondContact O-N 3.41Å; S1133-V1135 VanDerWaalsContact O-N 3.17Å
1136	G	38	Very low	51.3	Low	55 Å²	55	75.2 Å²	75.2	57%	0.567	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-65.7	-177.4	0	0	0	0	0	114.5	T1134 A1138 H1139	T1134-G1136 VanDerWaalsContact C-N 3.34Å; T1134-G1136 PolarHBondContact O-N 3.42Å; G1136-A1138 PolarHBondContact O-N 2.93Å; G1136-H1139 WeakPolarHBondContact O-CB 3.48Å; G1136-H1139 PolarHBondContact O-N 3.23Å
1137	M	44.1	Very low	52.5	Low	102 Å²	102	71.3 Å²	71.3	50%	0.502	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-29.8	-174.9	-77	176.1	160.5	0	0	113.7	H1139 E1140 V1141	M1137-H1139 PolarHBondContact O-N 3.05Å; M1137-H1139 VanDerWaalsContact O-N 3.14Å; M1137-E1140 PolarHBondContact O-N 2.89Å; M1137-V1141 WeakPolarHBondContact O-CG2 3.37Å; M1137-V1141 PolarHBondContact O-N 3.24Å
1138	A	50.2	Low	53.4	Low	34 Å²	34	69.1 Å²	69.1	28%	0.281	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-7.7	175.1	0	0	0	0	0	113.8	G1136 R1142	G1136-A1138 PolarHBondContact O-N 2.93Å; A1138-R1142 WeakPolarHBondContact O-CG 3.49Å; A1138-R1142 PolarHBondContact O-NE 3.43Å
1139	H	51.2	Low	54.2	Low	80 Å²	80	69.1 Å²	69.1	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-92.6	-48.4	174.3	-131.9	-67.6	0	0	0	112.6	G1136 M1137 V1141 R1142 H1143	G1136-H1139 WeakPolarHBondContact O-CB 3.48Å; G1136-H1139 PolarHBondContact O-N 3.23Å; M1137-H1139 PolarHBondContact O-N 3.05Å; M1137-H1139 VanDerWaalsContact O-N 3.14Å; H1139-V1141 VanDerWaalsContact C-N 3.26Å; H1139-V1141 PolarHBondContact O-N 3.36Å; H1139-R1142 WeakPolarHBondContact O-CA 3.38Å; H1139-R1142 WeakPolarHBondContact O-CB 3.37Å; H1139-R1142 PolarHBondContact O-N 2.86Å; H1139-H1143 AromaticContact CE1-CE1 3.43Å; H1139-H1143 PolarHBondContact CE1-CE1 3.18Å; H1139-H1143 VanDerWaalsContact CE1-CE1 3.43Å; H1139-H1143 AromaticContact ND1-CE1 3.28Å; H1139-H1143 PolarHBondContact ND1-CE1 3.11Å; H1139-H1143 VanDerWaalsContact ND1-CE1 3.28Å; H1139-H1143 AromaticContact ND1-ND1 3.43Å; H1139-H1143 PolarHBondContact ND1-ND1 2.87Å; H1139-H1143 PolarHBondContact O-N 3.48Å
1140	E	53.3	Low	55	Low	25 Å²	25	61.1 Å²	61.1	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-40.8	179.8	-65.7	-173.9	151.3	0	0	111.9	K507 T529 M1137 R1142 H1143 G1144	K507-E1140 IonicContact NZ-OE1 3.36Å; K507-E1140 PolarHBondContact NZ-OE1 3.46Å; K507-E1140 IonicContact NZ-OE2 2.73Å; K507-E1140 PolarHBondContact NZ-OE2 2.92Å; T529-E1140 HydrophobicContact CG2-CG 3.52Å; T529-E1140 PolarHBondContact OG1-OE1 3.12Å; M1137-E1140 PolarHBondContact O-N 2.89Å; E1140-R1142 PolarHBondContact O-N 3.28Å; E1140-H1143 PolarHBondContact O-N 3.24Å; E1140-G1144 PolarHBondContact O-N 3.03Å; E1140-G1144 VanDerWaalsContact O-N 3.09Å
1141	V	57.7	Low	55.9	Low	18 Å²	18	54 Å²	54	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-19	176.6	176.3	0	0	0	0	113	V646 F663 M1137 H1139	V646-V1141 HydrophobicContact CB-CG1 4.29Å; V646-V1141 HydrophobicContact CG1-CG1 3.54Å; F663-V1141 HydrophobicContact CZ-CG1 4.49Å; M1137-V1141 WeakPolarHBondContact O-CG2 3.37Å; M1137-V1141 PolarHBondContact O-N 3.24Å; H1139-V1141 VanDerWaalsContact C-N 3.26Å; H1139-V1141 PolarHBondContact O-N 3.36Å
1142	R	65.1	Low	56.9	Low	155 Å²	155	54.5 Å²	54.5	59%	0.585	33%	0.326	S	S	*	.	H	α-helix	trans	-87.4	-19.5	173.2	-65.6	176.3	-177.5	175.8	5	113.7	A553 A1138 H1139 E1140	A553-R1142 WeakPolarHBondContact CB-O 3.3Å; A1138-R1142 WeakPolarHBondContact O-CG 3.49Å; A1138-R1142 PolarHBondContact O-NE 3.43Å; H1139-R1142 WeakPolarHBondContact O-CA 3.38Å; H1139-R1142 WeakPolarHBondContact O-CB 3.37Å; H1139-R1142 PolarHBondContact O-N 2.86Å; E1140-R1142 PolarHBondContact O-N 3.28Å
1143	H	73.3	Confident	57.8	Low	8 Å²	8	53.6 Å²	53.6	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-101.8	-4.5	-179.3	-67	142	0	0	0	112.9	D528 L549 E550 T559 H1139 E1140 Y1145	D528-H1143 IonicContact OD2-CG 2.69Å; D528-H1143 IonicContact OD2-ND1 2.72Å; D528-H1143 PolarHBondContact OD2-ND1 3.12Å; L549-H1143 HydrophobicContact CB-CB 4.47Å; E550-H1143 WeakPolarHBondContact CG-CD2 3.24Å; E550-H1143 VanDerWaalsContact CG-NE2 3.28Å; E550-H1143 WeakPolarHBondContact CG-NE2 3.34Å; E550-H1143 IonicContact OE1-CD2 2.62Å; E550-H1143 IonicContact OE1-CE1 3.07Å; E550-H1143 IonicContact OE1-NE2 2.72Å; E550-H1143 PolarHBondContact OE1-NE2 3.22Å; T559-H1143 WeakPolarHBondContact CG2-O 3.42Å; T559-H1143 PolarHBondContact OG1-O 3.5Å; H1139-H1143 AromaticContact CE1-CE1 3.43Å; H1139-H1143 PolarHBondContact CE1-CE1 3.18Å; H1139-H1143 VanDerWaalsContact CE1-CE1 3.43Å; H1139-H1143 AromaticContact ND1-CE1 3.28Å; H1139-H1143 PolarHBondContact ND1-CE1 3.11Å; H1139-H1143 VanDerWaalsContact ND1-CE1 3.28Å; H1139-H1143 AromaticContact ND1-ND1 3.43Å; H1139-H1143 PolarHBondContact ND1-ND1 2.87Å; H1139-H1143 PolarHBondContact O-N 3.48Å; E1140-H1143 PolarHBondContact O-N 3.24Å; H1143-Y1145 VanDerWaalsContact C-N 3.34Å; H1143-Y1145 PolarHBondContact O-N 3.12Å
1144	G	70.9	Confident	59.4	Low	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	10.6	161.1	0	0	0	0	0	114.7	R558 T559 N647 E1140 A1146	R558-G1144 WeakPolarHBondContact CA-O 3.35Å; T559-G1144 PolarHBondContact N-O 2.86Å; T559-G1144 PolarHBondContact OG1-O 2.95Å; N647-G1144 PolarHBondContact ND2-O 2.68Å; E1140-G1144 PolarHBondContact O-N 3.03Å; E1140-G1144 VanDerWaalsContact O-N 3.09Å; G1144-A1146 PolarHBondContact O-N 3.18Å
1145	Y	82	Confident	60.8	Low	13 Å²	13	47.2 Å²	47.2	5%	0.051	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-60.2	126.1	-177	167.9	-104.5	0	0	0	111.7	F502 K507 A527 T559 L560 E643 H1143 F1147	F502-Y1145 WeakPolarHBondContact CE2-OH 3.41Å; F502-Y1145 WeakPolarHBondContact CZ-OH 3.41Å; K507-Y1145 HydrophobicContact CB-CE1 4.24Å; K507-Y1145 HydrophobicContact CD-CE1 4.15Å; K507-Y1145 HydrophobicContact CG-CE1 4.41Å; K507-Y1145 PolarHBondContact O-OH 3.47Å; A527-Y1145 HydrophobicContact CB-CD1 3.68Å; A527-Y1145 HydrophobicContact CB-CD2 3.71Å; A527-Y1145 HydrophobicContact CB-CE1 3.79Å; A527-Y1145 HydrophobicContact CB-CE2 3.8Å; A527-Y1145 HydrophobicContact CB-CG 3.63Å; T559-Y1145 WeakPolarHBondContact O-CD2 3.25Å; T559-Y1145 WeakPolarHBondContact OG1-CA 3.1Å; T559-Y1145 PolarHBondContact OG1-N 3.21Å; T559-Y1145 VanDerWaalsContact OG1-N 3.17Å; L560-Y1145 HydrophobicContact CD2-CD2 3.99Å; L560-Y1145 HydrophobicContact CD2-CE2 3.68Å; E643-Y1145 WeakPolarHBondContact CB-O 3.41Å; H1143-Y1145 VanDerWaalsContact C-N 3.34Å; H1143-Y1145 PolarHBondContact O-N 3.12Å; Y1145-F1147 HydrophobicContact CE2-CB 4.17Å
1146	A	74.6	Confident	62.4	Low	4 Å²	4	44 Å²	44	3%	0.033	27%	0.269	C	S	.	.			trans	-152.2	137.9	169.1	0	0	0	0	0	109.9	R558 G1144	R558-A1146 HydrophobicContact CB-CB 4.17Å; R558-A1146 HydrophobicContact CG-CB 4Å; G1144-A1146 PolarHBondContact O-N 3.18Å
1147	F	75.9	Confident	64.1	Low	10 Å²	10	42 Å²	42	4%	0.044	25%	0.246	C	C	.	.			trans	-143.1	118.1	175.6	-165.9	-111.2	0	0	0	110.3	D460 E461 F502 L560 Y1145 Q1149	D460-F1147 HydrophobicContact CB-CD2 3.94Å; D460-F1147 HydrophobicContact CB-CE2 3.93Å; E461-F1147 HydrophobicContact CG-CE2 4.25Å; E461-F1147 HydrophobicContact CG-CZ 3.92Å; F502-F1147 HydrophobicContact CB-CE1 4.28Å; F502-F1147 HydrophobicContact CD1-CD1 4.05Å; F502-F1147 HydrophobicContact CD1-CE1 4.3Å; F502-F1147 AromaticContact CD2-CD1 3.52Å; F502-F1147 HydrophobicContact CD2-CD1 3.52Å; F502-F1147 AromaticContact CD2-CE1 3.76Å; F502-F1147 HydrophobicContact CD2-CE1 3.76Å; F502-F1147 HydrophobicContact CE1-CD1 4Å; F502-F1147 HydrophobicContact CE2-CB 4.22Å; F502-F1147 AromaticContact CE2-CD1 3.45Å; F502-F1147 HydrophobicContact CE2-CD1 3.45Å; F502-F1147 VanDerWaalsContact CE2-CD1 3.45Å; F502-F1147 HydrophobicContact CE2-CE1 4.18Å; F502-F1147 HydrophobicContact CE2-CG 4.16Å; F502-F1147 AromaticContact CG-CD1 3.84Å; F502-F1147 HydrophobicContact CG-CD1 3.84Å; F502-F1147 AromaticContact CG-CE1 3.84Å; F502-F1147 HydrophobicContact CG-CE1 3.84Å; F502-F1147 HydrophobicContact CZ-CB 4.24Å; F502-F1147 AromaticContact CZ-CD1 3.71Å; F502-F1147 HydrophobicContact CZ-CD1 3.71Å; F502-F1147 HydrophobicContact CZ-CG 4.43Å; L560-F1147 HydrophobicContact CD1-CD2 3.97Å; L560-F1147 HydrophobicContact CD1-CE2 4.19Å; L560-F1147 HydrophobicContact CD2-CB 4.21Å; L560-F1147 HydrophobicContact CD2-CD2 3.9Å; L560-F1147 HydrophobicContact CD2-CG 4.37Å; Y1145-F1147 HydrophobicContact CE2-CB 4.17Å; F1147-Q1149 HydrophobicContact CD1-CB 3.93Å; F1147-Q1149 HydrophobicContact CE1-CB 3.77Å; F1147-Q1149 HydrophobicContact CE1-CG 4.35Å
1148	S	68.3	Low	65.6	Low	26 Å²	26	38.6 Å²	38.6	18%	0.182	23%	0.234	C	C	.	.			trans	-89.2	107.5	176.4	-71.1	0	0	0	0	109.6	S458 D460 R558	S458-S1148 WeakPolarHBondContact CB-O 3.42Å; S458-S1148 PolarHBondContact OG-O 2.58Å; D460-S1148 WeakPolarHBondContact OD2-CB 3.4Å; D460-S1148 PolarHBondContact OD2-N 3.18Å; R558-S1148 PolarHBondContact NH1-OG 3.08Å
1149	Q	68.5	Low	66.9	Low	19 Å²	19	40.9 Å²	40.9	9%	0.089	24%	0.241	C	C	.	.			trans	-145.3	138.8	174.2	-176.5	68.7	57.8	0	0	108.1	S457 F502 F1147	S457-Q1149 PolarHBondContact OG-NE2 3.15Å; F502-Q1149 HydrophobicContact CB-CG 4.28Å; F502-Q1149 HydrophobicContact CD1-CB 3.76Å; F502-Q1149 HydrophobicContact CD1-CG 3.94Å; F502-Q1149 HydrophobicContact CE1-CB 4.21Å; F502-Q1149 HydrophobicContact CG-CB 4.41Å; F502-Q1149 HydrophobicContact CG-CG 4.4Å; F1147-Q1149 HydrophobicContact CD1-CB 3.93Å; F1147-Q1149 HydrophobicContact CE1-CB 3.77Å; F1147-Q1149 HydrophobicContact CE1-CG 4.35Å
1150	E	61.6	Low	68.1	Low	64 Å²	64	38 Å²	38	30%	0.299	23%	0.228	S	C	.	.			trans	-77.6	142	172.1	-65.7	-168.9	163.2	0	0	111.5	N162	N162-E1150 WeakPolarHBondContact CB-OE1 3.41Å; N162-E1150 WeakPolarHBondContact ND2-CG 3.24Å; N162-E1150 PolarHBondContact ND2-OE1 3.01Å
1151	E	59.8	Low	69.3	Low	82 Å²	82	37 Å²	37	38%	0.383	22%	0.223	S	C	.	.	S	Bend	trans	-123.7	132.6	-177.7	-66.8	163.3	-120.2	0	0	107.9	S504 K641	S504-E1151 WeakPolarHBondContact CB-OE2 3.41Å; S504-E1151 VanDerWaalsContact N-CD 3.3Å; S504-E1151 PolarHBondContact N-OE2 3.33Å; S504-E1151 VanDerWaalsContact OG-CD 3.25Å; S504-E1151 PolarHBondContact OG-OE1 3.34Å; S504-E1151 PolarHBondContact OG-OE2 2.7Å; S504-E1151 VanDerWaalsContact OG-OE2 3.1Å; K641-E1151 IonicContact NZ-OE1 2.77Å; K641-E1151 PolarHBondContact NZ-OE1 3.07Å
1152	G	57	Low	70.5	Confident	87 Å²	87	41 Å²	41	90%	0.897	24%	0.236	S	C	*	.	S	Bend	trans	80.9	14	-175.8	0	0	0	0	0	116
1153	G	57	Low	71.2	Confident	45 Å²	45	34.4 Å²	34.4	46%	0.464	21%	0.214	S	C	.	.			trans	-62.1	155.5	169.3	0	0	0	0	0	112.6	V1155	G1153-V1155 PolarHBondContact O-N 3.01Å
1154	C	62	Low	71.5	Confident	36 Å²	36	34.6 Å²	34.6	24%	0.243	22%	0.215	C	C	.	.	S	Bend	trans	-67.4	-0.4	-169.9	75.2	0	0	0	0	116.2	L165 D217	L165-C1154 PolarHBondContact O-SG 2.69Å; D217-C1154 HydrophobicContact CB-CB 4.05Å; D217-C1154 WeakPolarHBondContact OD1-CB 3.45Å
1155	V	67	Low	72.1	Confident	17 Å²	17	36.1 Å²	36.1	10%	0.103	22%	0.223	C	C	.	.	S	Bend	trans	-142.2	133.5	176.1	-176.8	0	0	0	0	107.8	M149 L165 K167 G1153 D1159	M149-V1155 HydrophobicContact SD-CG1 4.41Å; M149-V1155 HydrophobicContact SD-CG2 4.18Å; L165-V1155 HydrophobicContact CD2-CB 3.69Å; L165-V1155 HydrophobicContact CD2-CG1 4.36Å; L165-V1155 HydrophobicContact CD2-CG2 3.78Å; L165-V1155 HydrophobicContact CG-CG2 4.22Å; K167-V1155 HydrophobicContact CD-CG2 3.92Å; G1153-V1155 PolarHBondContact O-N 3.01Å; V1155-D1159 HydrophobicContact CG1-CB 3.44Å; V1155-D1159 VanDerWaalsContact CG1-CB 3.44Å
1156	S	72.4	Confident	72	Confident	43 Å²	43	37.7 Å²	37.7	30%	0.301	24%	0.236	S	C	.	.			trans	-70.5	163.6	177.8	71.3	0	0	0	0	112.2	D501 A1158 D1159 M1160	D501-S1156 WeakPolarHBondContact OD2-CB 3Å; S1156-A1158 VanDerWaalsContact C-N 3.28Å; S1156-A1158 PolarHBondContact O-N 2.99Å; S1156-D1159 WeakPolarHBondContact CB-OD2 3.46Å; S1156-D1159 PolarHBondContact O-N 2.91Å; S1156-D1159 WeakPolarHBondContact OG-CB 3.41Å; S1156-D1159 PolarHBondContact OG-N 3.19Å; S1156-D1159 PolarHBondContact OG-OD2 3.23Å; S1156-M1160 WeakPolarHBondContact O-CB 3.39Å; S1156-M1160 PolarHBondContact O-N 3.21Å
1157	Q	74.4	Confident	72.2	Confident	15 Å²	15	41.9 Å²	41.9	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-37.9	176.2	-56.8	157.3	27.9	0	0	109.3	T439 D501 F502 M1160 I1161	T439-Q1157 HydrophobicContact CG2-CB 3.83Å; T439-Q1157 HydrophobicContact CG2-CG 4.03Å; D501-Q1157 HydrophobicContact CB-CB 4.31Å; D501-Q1157 HydrophobicContact CB-CG 4.46Å; D501-Q1157 WeakPolarHBondContact OD2-CA 3.2Å; D501-Q1157 VanDerWaalsContact OD2-CB 3.31Å; D501-Q1157 WeakPolarHBondContact OD2-CB 3.3Å; D501-Q1157 PolarHBondContact OD2-N 3.21Å; F502-Q1157 PolarHBondContact O-NE2 3.41Å; F502-Q1157 VanDerWaalsContact O-NE2 3.11Å; Q1157-M1160 PolarHBondContact O-N 3.06Å; Q1157-I1161 WeakPolarHBondContact O-CD1 3.39Å; Q1157-I1161 VanDerWaalsContact O-CG1 3.24Å; Q1157-I1161 WeakPolarHBondContact O-CG1 3.41Å; Q1157-I1161 PolarHBondContact O-N 3.07Å
1158	A	75.9	Confident	72.4	Confident	30 Å²	30	48.3 Å²	48.3	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-49.6	169.8	0	0	0	0	0	113	V499 D501 S1156 M1160 I1161 R1162	V499-A1158 HydrophobicContact CB-CB 4.48Å; D501-A1158 PolarHBondContact OD1-N 2.72Å; D501-A1158 PolarHBondContact OD2-N 3.39Å; S1156-A1158 VanDerWaalsContact C-N 3.28Å; S1156-A1158 PolarHBondContact O-N 2.99Å; A1158-M1160 VanDerWaalsContact C-N 3.32Å; A1158-M1160 PolarHBondContact O-N 3Å; A1158-I1161 PolarHBondContact O-N 3.36Å; A1158-I1161 VanDerWaalsContact O-N 3.16Å; A1158-R1162 WeakPolarHBondContact O-CG 3.41Å; A1158-R1162 PolarHBondContact O-N 3.5Å
1159	D	77.2	Confident	72.8	Confident	81 Å²	81	54 Å²	54	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-36.9	179.3	-71	-52.6	0	0	0	112.3	V1155 S1156 R1162 S1163	V1155-D1159 HydrophobicContact CG1-CB 3.44Å; V1155-D1159 VanDerWaalsContact CG1-CB 3.44Å; S1156-D1159 WeakPolarHBondContact CB-OD2 3.46Å; S1156-D1159 PolarHBondContact O-N 2.91Å; S1156-D1159 WeakPolarHBondContact OG-CB 3.41Å; S1156-D1159 PolarHBondContact OG-N 3.19Å; S1156-D1159 PolarHBondContact OG-OD2 3.23Å; D1159-R1162 PolarHBondContact O-N 3.35Å; D1159-S1163 VanDerWaalsContact O-CB 3.31Å; D1159-S1163 WeakPolarHBondContact O-CB 3.5Å; D1159-S1163 PolarHBondContact O-N 3.03Å; D1159-S1163 PolarHBondContact O-OG 2.95Å
1160	M	75.6	Confident	73.3	Confident	19 Å²	19	55.6 Å²	55.6	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-49.3	172	-174.2	-173	-67.6	0	0	110.3	L165 S1156 Q1157 A1158 R1162 S1163 Y1164	L165-M1160 HydrophobicContact CD2-CE 4.02Å; S1156-M1160 WeakPolarHBondContact O-CB 3.39Å; S1156-M1160 PolarHBondContact O-N 3.21Å; Q1157-M1160 PolarHBondContact O-N 3.06Å; A1158-M1160 VanDerWaalsContact C-N 3.32Å; A1158-M1160 PolarHBondContact O-N 3Å; M1160-R1162 VanDerWaalsContact C-N 3.3Å; M1160-R1162 PolarHBondContact O-N 3.18Å; M1160-S1163 PolarHBondContact O-N 3.06Å; M1160-S1163 PolarHBondContact O-OG 2.99Å; M1160-S1163 VanDerWaalsContact O-OG 3.08Å; M1160-Y1164 HydrophobicContact CG-CD2 4.29Å; M1160-Y1164 HydrophobicContact CG-CE2 4.28Å; M1160-Y1164 WeakPolarHBondContact O-CD2 3.35Å; M1160-Y1164 PolarHBondContact O-N 2.88Å
1161	I	79.4	Confident	74.2	Confident	4 Å²	4	55 Å²	55	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-36.3	178.9	-67	164.7	0	0	0	111.8	V496 V499 Q1157 A1158	V496-I1161 HydrophobicContact CG1-CG2 4.49Å; V499-I1161 HydrophobicContact CB-CD1 4.43Å; V499-I1161 HydrophobicContact CG1-CD1 3.97Å; V499-I1161 HydrophobicContact CG2-CD1 3.79Å; V499-I1161 HydrophobicContact CG2-CG2 4.5Å; Q1157-I1161 WeakPolarHBondContact O-CD1 3.39Å; Q1157-I1161 VanDerWaalsContact O-CG1 3.24Å; Q1157-I1161 WeakPolarHBondContact O-CG1 3.41Å; Q1157-I1161 PolarHBondContact O-N 3.07Å; A1158-I1161 PolarHBondContact O-N 3.36Å; A1158-I1161 VanDerWaalsContact O-N 3.16Å
1162	R	83	Confident	75.1	Confident	102 Å²	102	57.8 Å²	57.8	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-79.2	-14.2	178.7	-66.8	-54.5	-162.4	-158.5	-2.2	115.2	P480 V496 L497 A1158 D1159 M1160	P480-R1162 VanDerWaalsContact CB-O 3.3Å; P480-R1162 WeakPolarHBondContact CB-O 3.14Å; P480-R1162 WeakPolarHBondContact CG-O 3.32Å; P480-R1162 WeakPolarHBondContact O-CD 3.49Å; P480-R1162 PolarHBondContact O-NH1 3.15Å; V496-R1162 PolarHBondContact O-NH1 2.71Å; L497-R1162 PolarHBondContact O-NH2 3.13Å; A1158-R1162 WeakPolarHBondContact O-CG 3.41Å; A1158-R1162 PolarHBondContact O-N 3.5Å; D1159-R1162 PolarHBondContact O-N 3.35Å; M1160-R1162 VanDerWaalsContact C-N 3.3Å; M1160-R1162 PolarHBondContact O-N 3.18Å
1163	S	78.9	Confident	75.7	Confident	18 Å²	18	53.9 Å²	53.9	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-97.3	-23.6	-176.7	48.6	0	0	0	0	114.2	P146 M149 D1159 M1160	P146-S1163 WeakPolarHBondContact CG-O 3.38Å; M149-S1163 WeakPolarHBondContact CE-OG 3.49Å; D1159-S1163 VanDerWaalsContact O-CB 3.31Å; D1159-S1163 WeakPolarHBondContact O-CB 3.5Å; D1159-S1163 PolarHBondContact O-N 3.03Å; D1159-S1163 PolarHBondContact O-OG 2.95Å; M1160-S1163 PolarHBondContact O-N 3.06Å; M1160-S1163 PolarHBondContact O-OG 2.99Å; M1160-S1163 VanDerWaalsContact O-OG 3.08Å
1164	Y	79.7	Confident	76.2	Confident	12 Å²	12	56.4 Å²	56.4	5%	0.047	31%	0.306	C	S	.	.			trans	-88.6	133.8	-177.9	-81.5	-88.3	0	0	0	114	M149 Y151 V441 T479 P480 M1160	M149-Y1164 HydrophobicContact CE-CD2 4.44Å; M149-Y1164 HydrophobicContact CE-CE2 3.67Å; Y151-Y1164 VanDerWaalsContact CE2-OH 3.24Å; Y151-Y1164 WeakPolarHBondContact CE2-OH 3.23Å; Y151-Y1164 WeakPolarHBondContact OH-CE2 3.01Å; Y151-Y1164 PolarHBondContact OH-OH 2.95Å; Y151-Y1164 VanDerWaalsContact OH-OH 3.06Å; V441-Y1164 HydrophobicContact CG1-CD1 3.99Å; V441-Y1164 HydrophobicContact CG1-CG 4.26Å; V441-Y1164 HydrophobicContact CG2-CD1 4.45Å; V441-Y1164 HydrophobicContact CG2-CD2 4.25Å; V441-Y1164 HydrophobicContact CG2-CG 4.05Å; T479-Y1164 CarbonylContact C-O 3.5Å; P480-Y1164 WeakPolarHBondContact CD-O 3.39Å; M1160-Y1164 HydrophobicContact CG-CD2 4.29Å; M1160-Y1164 HydrophobicContact CG-CE2 4.28Å; M1160-Y1164 WeakPolarHBondContact O-CD2 3.35Å; M1160-Y1164 PolarHBondContact O-N 2.88Å
1165	D	84	Confident	76.9	Confident	31 Å²	31	57.4 Å²	57.4	17%	0.166	31%	0.309	C	S	.	.			trans	-133.2	98.5	170.8	-171.7	-13.8	0	0	0	110.1	T1167 K1168	D1165-T1167 PolarHBondContact O-N 3.33Å; D1165-T1167 VanDerWaalsContact O-N 3.1Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.45Å; D1165-T1167 PolarHBondContact OD1-N 2.75Å; D1165-T1167 PolarHBondContact OD1-OG1 3.18Å; D1165-K1168 HydrophobicContact CB-CD 4.33Å; D1165-K1168 HydrophobicContact CB-CG 4.25Å; D1165-K1168 PolarHBondContact O-N 2.95Å; D1165-K1168 IonicContact OD2-NZ 2.84Å; D1165-K1168 PolarHBondContact OD2-NZ 2.87Å
1166	S	80.4	Confident	77.4	Confident	47 Å²	47	59.5 Å²	59.5	33%	0.329	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-1.8	179.8	59.3	0	0	0	0	114.6	R478	R478-S1166 PolarHBondContact N-OG 2.97Å; R478-S1166 PolarHBondContact O-N 3.14Å; R478-S1166 PolarHBondContact O-OG 3.26Å
1167	T	79.2	Confident	77.7	Confident	91 Å²	91	60.4 Å²	60.4	56%	0.558	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-13.3	173.2	71.8	0	0	0	0	113.2	T477 T479 D1165	T477-T1167 HydrophobicContact CG2-CG2 3.75Å; T479-T1167 HydrophobicContact CG2-CG2 4.18Å; D1165-T1167 PolarHBondContact O-N 3.33Å; D1165-T1167 VanDerWaalsContact O-N 3.1Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.45Å; D1165-T1167 PolarHBondContact OD1-N 2.75Å; D1165-T1167 PolarHBondContact OD1-OG1 3.18Å
1168	K	79.4	Confident	77.9	Confident	146 Å²	146	63.1 Å²	63.1	64%	0.635	34%	0.335	S	S	*	.	S	Bend	trans	-93.8	140.7	-178.8	-66.8	-171.1	174.5	85.2	0	111.9	D1165	D1165-K1168 HydrophobicContact CB-CD 4.33Å; D1165-K1168 HydrophobicContact CB-CG 4.25Å; D1165-K1168 PolarHBondContact O-N 2.95Å; D1165-K1168 IonicContact OD2-NZ 2.84Å; D1165-K1168 PolarHBondContact OD2-NZ 2.87Å
1169	V	77.3	Confident	78	Confident	144 Å²	144	65.2 Å²	65.2	87%	0.873	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-74.8	134.4	171.5	-175.7	0	0	0	0	109.4
1170	K	78.3	Confident	78	Confident	54 Å²	54	64.1 Å²	64.1	24%	0.235	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-74.3	144.9	176.8	-65.7	-179.3	173.2	-170.9	0	110.9	E145 L230 E443	E145-K1170 WeakPolarHBondContact OE1-CD 3.42Å; E145-K1170 WeakPolarHBondContact OE1-CE 3.45Å; E145-K1170 IonicContact OE1-NZ 3.31Å; E145-K1170 PolarHBondContact OE1-NZ 3.17Å; E145-K1170 WeakPolarHBondContact OE2-CE 3.47Å; E145-K1170 IonicContact OE2-NZ 2.68Å; E145-K1170 PolarHBondContact OE2-NZ 3.05Å; L230-K1170 HydrophobicContact CD1-CB 3.69Å; L230-K1170 HydrophobicContact CD1-CD 3.84Å; L230-K1170 HydrophobicContact CD1-CG 4.39Å; L230-K1170 HydrophobicContact CG-CD 4.12Å; E443-K1170 IonicContact OE1-NZ 2.7Å; E443-K1170 PolarHBondContact OE1-NZ 2.78Å
1171	P	80.9	Confident	78.2	Confident	51 Å²	51	67.4 Å²	67.4	33%	0.331	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-68.6	143.9	177.8	29.1	-35	0	0	0	111.9	S144 W231	S144-P1171 WeakPolarHBondContact O-CD 3.31Å; W231-P1171 HydrophobicContact CZ2-CB 4.37Å; W231-P1171 HydrophobicContact CZ2-CG 4.09Å; W231-P1171 PolarHBondContact NE1-O 3.41Å
1172	E	78.2	Confident	78.1	Confident	141 Å²	141	72.2 Å²	72.2	66%	0.659	38%	0.378	S	S	*	.			trans	-77.7	-19.1	-178.9	-61.1	-178.3	178.5	0	0	114.1	K127 W231 N1174	K127-E1172 PolarHBondContact NZ-O 3.13Å; W231-E1172 VanDerWaalsContact NE1-C 3.27Å; W231-E1172 PolarHBondContact NE1-O 2.67Å; E1172-N1174 PolarHBondContact OE2-ND2 3.13Å
1173	G	70.6	Confident	77.7	Confident	4 Å²	4	69.8 Å²	69.8	4%	0.041	38%	0.377	C	S	.	.			trans	63.8	45.1	179.5	0	0	0	0	0	113.1	K127 W231 F233	K127-G1173 PolarHBondContact NZ-O 2.93Å; W231-G1173 VanDerWaalsContact CE2-CA 3.41Å; F233-G1173 VanDerWaalsContact CZ-O 3.32Å; F233-G1173 WeakPolarHBondContact CZ-O 3.42Å
1174	N	65.9	Low	77.6	Confident	98 Å²	98	74.5 Å²	74.5	52%	0.524	40%	0.4	S	S	.	.			trans	-79.2	0	177.7	-65.2	-34.5	0	0	0	110.1	W112 H178 E1172	W112-N1174 PolarHBondContact NE1-OXT 2.93Å; H178-N1174 VanDerWaalsContact CB-OXT 3.28Å; H178-N1174 WeakPolarHBondContact CB-OXT 3.34Å; H178-N1174 PolarHBondContact N-O 2.96Å; H178-N1174 PolarHBondContact N-OXT 2.93Å; H178-N1174 PolarHBondContact ND1-O 3.19Å; H178-N1174 PolarHBondContact ND1-OXT 2.9Å; E1172-N1174 PolarHBondContact OE2-ND2 3.13Å

Retrieved 1,174 of 1,174 residues in 940.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).