A0A077ZLV1_TRITR Loading...

vesicle-fusing ATPase

AlphaFold DB , UniProt , Accession A0A077ZLV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 807 aa.

						>A0A077ZLV1_TRITR|A0A077ZLV1
MSQKDPKLTDKSNRNELATAILKEKSRPNRLIVEDNTNDDNSVICLNPEKMEELSMYRGDTAIVKGKRRKDTVVIVLIDETCPPERIRLNRVVRNNIRVRIGDVVSIQSISDVKYGKRIHVLPIDDTIVGITGNLFEVFLRPYFGEAYRPVRKGDTFTVTGAMRTVEFKIVETDPAPYCIVAPETVIHCDGDPIKREDEEERLDDVGYDDIGGCRKQLAQIKEMVELPLRHPQLFKAVGIKPPRGILLYGPPGCGKTLIARAVANETGAFFFLLNGPEIMSKLAGESESNLRKAFEECEKNAPSILFIDEIDAIAPKREKTHGEVERRIVSQLLTLMDGLKSRSHVIVIAATNRPNSIDAALRRFGRFDREIDIGIPDSLGRLEVLRIHTKRMRLADDVDLEQIANESHGYVGADLASLCSEGALQQIREKMELIDLEDDVIDAQVLDSLAVTMDNFRWAMSKTTPSALRETVVETPTTTWNDIGGLEAVKKELQELVQFPVEHPEKYLKFGMQPSRGVLFYGPPGCGKTLLAKAIAHECQANFISIKGPELLTMWFGESEANVRDVFDKARAAAPCVLFFDELDSIAKSRGASMGDAGGAADRVINQILTEMDGMTSKKNVFIIGATNRPDIIDPAILRPGRLDQLIYIPLPDEKSRAAILKAALRKTPLAKDVDLPFLAKMTIGFSGADLTEVCQRACKLAIRENIEKEIQFEKERQVRSNRGEEMMEEEAADPVPELRKDHFEEAMRFARRSVSDNDIRKYEMFAQTLQQQRGFGTNFRFPSADDDSGRFPIEPIGDEEEDLYS
					

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(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	40.2	Very low	41.6	Very low	252 Å²	252	166.7 Å²	166.7	100%	1.241	86%	0.855	S	S	*	*				0	107.7	0	-74.5	165.2	151.2	0	0	105.8
2	S	44.3	Very low	41.9	Very low	120 Å²	120	159.9 Å²	159.9	84%	0.839	83%	0.833	S	S	*	*			cis	-144.4	133.1	27.4	-178.2	0	0	0	0	109.2
3	Q	34.4	Very low	42.3	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	81%	0.809	S	S	*	*			trans	-80.9	150.1	164.5	-79.1	176.2	-9.8	0	0	110
4	K	43.8	Very low	42.4	Very low	189 Å²	189	158.5 Å²	158.5	82%	0.822	81%	0.806	S	S	*	*			trans	157.3	130.5	154	-90.8	174.9	-179.4	-173.3	0	107.3
5	D	43	Very low	42.8	Very low	138 Å²	138	156.3 Å²	156.3	74%	0.738	80%	0.797	S	S	*	*			cis	-163.4	135.9	-4.4	-88	-44.5	0	0	0	104.9
6	P	40.1	Very low	43.3	Very low	124 Å²	124	153.8 Å²	153.8	81%	0.805	78%	0.781	S	S	*	*			trans	-98.5	98.5	178.6	33.9	-24.7	0	0	0	109.9
7	K	42	Very low	44	Very low	205 Å²	205	152.6 Å²	152.6	89%	0.891	78%	0.777	S	S	*	*			trans	-161.2	24.5	168.1	-115.4	167.8	-165.8	-174.6	0	118.1
8	L	39.2	Very low	44.3	Very low	170 Å²	170	148.8 Å²	148.8	89%	0.89	77%	0.772	S	S	*	*	S	Bend	trans	-129.2	10.2	-176.3	-102.9	131.8	0	0	0	117.5
9	T	41.1	Very low	44.6	Very low	124 Å²	124	144.8 Å²	144.8	76%	0.761	76%	0.755	S	S	*	*			trans	-122.1	70.9	-175	56.8	0	0	0	0	112.3
10	D	45	Very low	44.9	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	74%	0.736	S	S	*	*	S	Bend	trans	-144.5	14.7	172.4	-144.4	12.8	0	0	0	115.4
11	K	44.5	Very low	45	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	74%	0.742	S	S	*	*	S	Bend	trans	-114.3	-15.7	173.9	-75.6	-174.1	177.5	179.7	0	114.8
12	S	45.1	Very low	44.9	Very low	85 Å²	85	135.8 Å²	135.8	59%	0.594	72%	0.718	S	S	*	*	S	Bend	trans	-82.6	-31.5	176.4	55.4	0	0	0	0	113.6	R14	S12-R14 PolarHBondContact O-N 3.41Å
13	N	47.1	Very low	44.8	Very low	97 Å²	97	136.8 Å²	136.8	52%	0.519	71%	0.707	S	S	.	*	H	α-helix	trans	-72.7	-21.8	-178.1	-91.7	-1.7	0	0	0	114.8	L17	N13-L17 PolarHBondContact O-N 3.49Å
14	R	44	Very low	45.3	Very low	203 Å²	203	137 Å²	137	77%	0.766	71%	0.708	S	S	*	*	H	α-helix	trans	-72.9	-28.9	-179.9	-96.1	-178.7	169.4	173.8	-2	113.4	S12	S12-R14 PolarHBondContact O-N 3.41Å
15	N	48.8	Very low	45.3	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	70%	0.704	S	S	*	*	H	α-helix	trans	-77.6	-28.5	176.8	-81.1	-5	0	0	0	112.5	A18 T19	N15-A18 PolarHBondContact O-N 3.25Å; N15-T19 PolarHBondContact O-N 3.44Å; N15-T19 PolarHBondContact O-OG1 3.46Å
16	E	50.6	Low	46.1	Very low	115 Å²	115	135 Å²	135	54%	0.537	71%	0.706	S	S	.	*	H	α-helix	trans	-72	-31.5	176	-68.6	-167.7	164.1	0	0	113.3	T19 A20	E16-T19 PolarHBondContact O-OG1 3.34Å; E16-A20 PolarHBondContact O-N 3.16Å; E16-A20 VanDerWaalsContact O-N 3.16Å
17	L	54.4	Low	47.7	Very low	135 Å²	135	136.2 Å²	136.2	71%	0.707	70%	0.695	S	S	*	*	H	α-helix	trans	-69.1	-35.6	174.1	-76.8	165.2	0	0	0	112.3	N13 T19 A20	N13-L17 PolarHBondContact O-N 3.49Å; L17-T19 VanDerWaalsContact C-N 3.32Å; L17-T19 PolarHBondContact O-N 3.34Å; L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 3.48Å
18	A	50.4	Low	49.5	Very low	84 Å²	84	128.8 Å²	128.8	69%	0.694	67%	0.668	S	S	*	*	H	α-helix	trans	-69.3	-28.5	178.6	0	0	0	0	0	113	N15	N15-A18 PolarHBondContact O-N 3.25Å
19	T	49.7	Very low	51.8	Low	72 Å²	72	123.1 Å²	123.1	44%	0.442	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	2	175.3	53.7	0	0	0	0	113.8	N15 E16 L17 I21 L22	N15-T19 PolarHBondContact O-N 3.44Å; N15-T19 PolarHBondContact O-OG1 3.46Å; E16-T19 PolarHBondContact O-OG1 3.34Å; L17-T19 VanDerWaalsContact C-N 3.32Å; L17-T19 PolarHBondContact O-N 3.34Å; T19-I21 PolarHBondContact O-N 2.95Å; T19-I21 VanDerWaalsContact O-N 3.14Å; T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 3.14Å
20	A	51	Low	54.1	Low	47 Å²	47	123.7 Å²	123.7	39%	0.388	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-62.6	-22.3	-177	0	0	0	0	0	113.7	E16 L17 L22	E16-A20 PolarHBondContact O-N 3.16Å; E16-A20 VanDerWaalsContact O-N 3.16Å; L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 3.48Å; A20-L22 VanDerWaalsContact C-N 3.27Å; A20-L22 PolarHBondContact O-N 3.23Å
21	I	45.8	Very low	56.3	Low	166 Å²	166	117.4 Å²	117.4	85%	0.851	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-70	-22.4	173.6	-107.6	168.9	0	0	0	112.9	T19	T19-I21 PolarHBondContact O-N 2.95Å; T19-I21 VanDerWaalsContact O-N 3.14Å
22	L	39.1	Very low	58.5	Low	140 Å²	140	111.1 Å²	111.1	73%	0.733	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-91.8	-9.8	-179.8	-66.2	167	0	0	0	113.2	T19 A20 E24	T19-L22 WeakPolarHBondContact O-CB 3.38Å; T19-L22 PolarHBondContact O-N 3.14Å; A20-L22 VanDerWaalsContact C-N 3.27Å; A20-L22 PolarHBondContact O-N 3.23Å; L22-E24 PolarHBondContact O-N 3.48Å
23	K	41.7	Very low	60.7	Low	141 Å²	141	107.2 Å²	107.2	61%	0.613	54%	0.54	S	S	*	.	S	Bend	trans	-76.8	104.8	170.3	-76.8	-176	176.6	177.7	0	108	K25	K23-K25 PolarHBondContact O-N 2.88Å
24	E	44.4	Very low	62.6	Low	190 Å²	190	104.6 Å²	104.6	89%	0.888	53%	0.525	S	S	*	.			trans	-56.8	102.8	166.5	-78.2	-173.9	158	0	0	108.3	L22 S26	L22-E24 PolarHBondContact O-N 3.48Å; E24-S26 PolarHBondContact O-N 2.86Å
25	K	44.7	Very low	64.4	Low	172 Å²	172	96.8 Å²	96.8	75%	0.748	50%	0.498	S	S	*	.			trans	-66.7	93	168.7	-74.6	-175.7	178.6	-177.4	0	106.5	K23 R27	K23-K25 PolarHBondContact O-N 2.88Å; K25-R27 PolarHBondContact O-N 2.97Å
26	S	58.4	Low	65.8	Low	111 Å²	111	91.4 Å²	91.4	78%	0.776	47%	0.47	S	S	*	.			trans	-53.8	110	163.5	177	0	0	0	0	106.8	E24 P28	E24-S26 PolarHBondContact O-N 2.86Å; S26-P28 WeakPolarHBondContact O-CD 3.46Å
27	R	73.7	Confident	66.6	Low	150 Å²	150	91.8 Å²	91.8	57%	0.566	48%	0.48	S	S	*	.			trans	-98.6	104.4	176.7	-74.7	-170.2	-173	-177	1.5	105.2	K25 N29 R30	K25-R27 PolarHBondContact O-N 2.97Å; R27-N29 WeakPolarHBondContact CB-OD1 3.13Å; R27-N29 PolarHBondContact O-N 2.92Å; R27-R30 HydrophobicContact CB-CB 4.44Å; R27-R30 HydrophobicContact CB-CG 3.81Å; R27-R30 WeakPolarHBondContact O-CB 3.43Å; R27-R30 PolarHBondContact O-N 3.02Å
28	P	80.9	Confident	67.2	Low	50 Å²	50	89 Å²	89	33%	0.325	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21	-172	26.3	-36.4	0	0	0	112.7	S26 R30 E53	S26-P28 WeakPolarHBondContact O-CD 3.46Å; P28-R30 VanDerWaalsContact C-N 3.28Å; P28-R30 PolarHBondContact O-N 2.65Å; P28-E53 HydrophobicContact CB-CG 4.09Å; P28-E53 WeakPolarHBondContact CB-OE1 3.33Å
29	N	86.3	Confident	68.2	Low	50 Å²	50	88.4 Å²	88.4	27%	0.267	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.7	176.9	79.4	-44.2	0	0	0	114.8	R27 L54 S106 I107	R27-N29 WeakPolarHBondContact CB-OD1 3.13Å; R27-N29 PolarHBondContact O-N 2.92Å; N29-L54 HydrophobicContact CB-CD2 3.83Å; N29-S106 CarbonylContact O-C 3.58Å; N29-S106 VanDerWaalsContact O-CA 3.24Å; N29-S106 WeakPolarHBondContact O-CA 3.48Å; N29-I107 HydrophobicContact CB-CG2 4.46Å; N29-I107 WeakPolarHBondContact CB-O 3.46Å; N29-I107 PolarHBondContact ND2-O 3.29Å; N29-I107 PolarHBondContact O-N 3.43Å
30	R	90.5	Very high	69.9	Low	136 Å²	136	87 Å²	87	51%	0.513	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.2	172.9	-67.9	-172	73.9	165.3	3.4	109.5	R27 P28 V104 V105	R27-R30 HydrophobicContact CB-CB 4.44Å; R27-R30 HydrophobicContact CB-CG 3.81Å; R27-R30 WeakPolarHBondContact O-CB 3.43Å; R27-R30 PolarHBondContact O-N 3.02Å; P28-R30 VanDerWaalsContact C-N 3.28Å; P28-R30 PolarHBondContact O-N 2.65Å; R30-V104 HydrophobicContact CB-CG1 3.83Å; R30-V104 HydrophobicContact CG-CG1 4.4Å; R30-V105 VanDerWaalsContact CA-O 3.3Å; R30-V105 WeakPolarHBondContact CA-O 3.44Å
31	L	92.1	Very high	71.8	Confident	2 Å²	2	85.6 Å²	85.6	1%	0.01	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150	-175	-60.2	174.1	0	0	0	110.3	L46 K50 I87 V104 V105 I107	L31-L46 HydrophobicContact CD1-CD1 4.44Å; L31-L46 HydrophobicContact CD1-CD2 3.44Å; L31-L46 VanDerWaalsContact CD1-CD2 3.44Å; L31-K50 HydrophobicContact CD1-CG 4.23Å; L31-K50 HydrophobicContact CD2-CD 3.87Å; L31-K50 HydrophobicContact CD2-CG 4Å; L31-I87 HydrophobicContact CB-CB 3.95Å; L31-I87 HydrophobicContact CB-CG2 3.67Å; L31-I87 HydrophobicContact CD1-CB 3.94Å; L31-I87 HydrophobicContact CD1-CD1 4.48Å; L31-V104 WeakPolarHBondContact O-CA 2.82Å; L31-V105 PolarHBondContact N-O 2.89Å; L31-V105 PolarHBondContact O-N 3.47Å; L31-I107 HydrophobicContact CD1-CG2 4.04Å
32	I	90.1	Very high	73.9	Confident	62 Å²	62	78 Å²	78	32%	0.318	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	177	-60.3	172.4	0	0	0	108.6	E34 E85 R86 I87 V104	I32-E34 PolarHBondContact O-N 3.07Å; I32-E85 PolarHBondContact N-O 3.01Å; I32-R86 HydrophobicContact CB-CG 4.4Å; I32-R86 CarbonylContact O-C 3.58Å; I32-R86 VanDerWaalsContact O-CA 3.23Å; I32-R86 WeakPolarHBondContact O-CA 3.38Å; I32-I87 PolarHBondContact O-N 3.02Å; I32-V104 HydrophobicContact CG1-CG2 4.4Å
33	V	91	Very high	76.4	Confident	2 Å²	2	72 Å²	72	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128	-179.9	177.3	0	0	0	0	110.2	I87 L89 R94 V99 G102 D103 V105	V33-I87 HydrophobicContact CG2-CG2 4.34Å; V33-L89 HydrophobicContact CB-CD1 4.43Å; V33-L89 HydrophobicContact CG1-CB 4.24Å; V33-L89 HydrophobicContact CG1-CD1 3.88Å; V33-L89 HydrophobicContact CG1-CG 4.18Å; V33-L89 HydrophobicContact CG2-CD1 3.72Å; V33-R94 HydrophobicContact CG1-CG 4.06Å; V33-V99 HydrophobicContact CG2-CG2 4.08Å; V33-G102 PolarHBondContact O-N 3.25Å; V33-D103 WeakPolarHBondContact CG2-O 3.38Å; V33-D103 PolarHBondContact N-O 3.28Å; V33-V105 HydrophobicContact CG2-CB 4.27Å; V33-V105 HydrophobicContact CG2-CG1 3.49Å; V33-V105 VanDerWaalsContact CG2-CG1 3.49Å; V33-V105 HydrophobicContact CG2-CG2 3.84Å
34	E	87.4	Confident	78.9	Confident	42 Å²	42	65.3 Å²	65.3	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.2	171.6	-172.6	162.2	-133.5	0	0	109.6	I32 R86 I87 R88 L89	I32-E34 PolarHBondContact O-N 3.07Å; E34-R86 HydrophobicContact CB-CB 4.37Å; E34-R86 IonicContact OE1-CZ 2.94Å; E34-R86 IonicContact OE1-NH1 2.7Å; E34-R86 PolarHBondContact OE1-NH1 3.3Å; E34-R86 WeakPolarHBondContact OE2-CD 3.49Å; E34-R86 IonicContact OE2-NH1 2.72Å; E34-I87 PolarHBondContact N-O 3.31Å; E34-R88 HydrophobicContact CB-CG 4.33Å; E34-R88 HydrophobicContact CG-CG 4.49Å; E34-R88 WeakPolarHBondContact O-CA 3.39Å; E34-L89 PolarHBondContact O-N 3.01Å
35	D	80.8	Confident	81.2	Confident	39 Å²	39	56.7 Å²	56.7	21%	0.209	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	145.8	179.7	-157.7	13.7	0	0	0	111.5	R88 R94 I101	D35-R88 WeakPolarHBondContact O-CG 3.36Å; D35-R94 IonicContact OD1-CZ 3.65Å; D35-R94 IonicContact OD1-NH1 3.66Å; D35-R94 PolarHBondContact OD1-NH1 3.25Å; D35-R94 IonicContact OD1-NH2 3.27Å; D35-R94 PolarHBondContact OD1-NH2 2.75Å; D35-I101 HydrophobicContact CB-CD1 3.97Å
36	N	79.2	Confident	83.5	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.07	25%	0.254	C	S	.	.			trans	-107.4	129.5	176.4	-162.8	-1.2	0	0	0	109.8	N38 R88 N90	N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact ND2-O 2.92Å; N36-N38 PolarHBondContact OD1-N 3.43Å; N36-N38 VanDerWaalsContact OD1-N 3.09Å; N36-R88 HydrophobicContact CB-CB 3.9Å; N36-N90 HydrophobicContact CB-CB 4.49Å
37	T	66.1	Low	85.2	Confident	123 Å²	123	44.1 Å²	44.1	76%	0.755	22%	0.222	S	C	*	.	S	Bend	trans	-77.8	-17.4	173.1	52.8	0	0	0	0	112.4
38	N	68.7	Low	86.1	Confident	78 Å²	78	39.2 Å²	39.2	42%	0.417	21%	0.209	S	C	.	.	S	Bend	trans	-87.3	129.7	172.7	-167.8	-2.3	0	0	0	109.6	N36	N36-N38 VanDerWaalsContact C-N 3.28Å; N36-N38 PolarHBondContact ND2-O 2.92Å; N36-N38 PolarHBondContact OD1-N 3.43Å; N36-N38 VanDerWaalsContact OD1-N 3.09Å
39	D	71.7	Confident	86.6	Confident	71 Å²	71	43.3 Å²	43.3	38%	0.38	22%	0.224	S	C	.	.			trans	-89.4	1.8	-169.6	-164	49	0	0	0	113.9	N41 N90 K391	D39-N41 PolarHBondContact O-N 2.97Å; D39-N90 PolarHBondContact O-ND2 2.87Å; D39-K391 VanDerWaalsContact CG-CE 3.48Å; D39-K391 IonicContact OD1-NZ 3.27Å; D39-K391 PolarHBondContact OD1-NZ 3.38Å; D39-K391 WeakPolarHBondContact OD2-CE 3.42Å; D39-K391 IonicContact OD2-NZ 2.96Å; D39-K391 PolarHBondContact OD2-NZ 3.03Å
40	D	85.4	Confident	86.8	Confident	42 Å²	42	41.9 Å²	41.9	23%	0.225	22%	0.216	C	C	.	.			trans	-64.3	120.8	-177.9	-169.3	-54.9	0	0	0	112.3	S42 V43 N90 R149	D40-S42 PolarHBondContact O-N 3Å; D40-S42 VanDerWaalsContact O-N 3.1Å; D40-S42 PolarHBondContact OD1-N 3.19Å; D40-V43 HydrophobicContact CB-CB 4.01Å; D40-V43 HydrophobicContact CB-CG2 3.92Å; D40-V43 PolarHBondContact O-N 3.12Å; D40-N90 PolarHBondContact O-ND2 2.91Å; D40-R149 VanDerWaalsContact CG-NH1 3.27Å; D40-R149 IonicContact OD1-CZ 3.62Å; D40-R149 IonicContact OD1-NH1 3.56Å; D40-R149 PolarHBondContact OD1-NH1 3.15Å; D40-R149 IonicContact OD1-NH2 3.62Å; D40-R149 IonicContact OD2-CZ 2.84Å; D40-R149 IonicContact OD2-NH1 2.83Å; D40-R149 PolarHBondContact OD2-NH1 2.72Å; D40-R149 VanDerWaalsContact OD2-NH1 3.1Å; D40-R149 IonicContact OD2-NH2 3.57Å; D40-R149 PolarHBondContact OD2-NH2 2.96Å
41	N	89.2	Confident	86.8	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.091	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.7	-176.9	-66.7	-22.1	0	0	0	116.2	D39 N90 V92 V93 Y143 T158	D39-N41 PolarHBondContact O-N 2.97Å; N41-N90 VanDerWaalsContact CA-ND2 3.34Å; N41-N90 WeakPolarHBondContact CA-ND2 3.4Å; N41-N90 PolarHBondContact OD1-ND2 3.03Å; N41-V92 HydrophobicContact CB-CG1 4.36Å; N41-V92 VanDerWaalsContact OD1-CG2 3.32Å; N41-V92 WeakPolarHBondContact OD1-CG2 3.36Å; N41-V93 WeakPolarHBondContact O-CG2 3.39Å; N41-Y143 HydrophobicContact CB-CE2 4.49Å; N41-Y143 WeakPolarHBondContact CB-OH 3.29Å; N41-Y143 WeakPolarHBondContact ND2-CE2 3.41Å; N41-Y143 PolarHBondContact ND2-OH 3.39Å; N41-T158 PolarHBondContact ND2-O 3.36Å
42	S	90.2	Very high	86.8	Confident	8 Å²	8	43.3 Å²	43.3	6%	0.056	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	4.9	-173.5	-54.1	0	0	0	0	112.7	D40 V74 I75	D40-S42 PolarHBondContact O-N 3Å; D40-S42 VanDerWaalsContact O-N 3.1Å; D40-S42 PolarHBondContact OD1-N 3.19Å; S42-V74 CarbonylContact O-C 3.58Å; S42-V74 WeakPolarHBondContact O-CA 3.37Å; S42-V74 WeakPolarHBondContact O-CB 3.49Å; S42-I75 PolarHBondContact O-N 2.75Å
43	V	92.2	Very high	86.8	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.1	-171.5	173.8	0	0	0	0	111.5	D40 I75 L77	D40-V43 HydrophobicContact CB-CB 4.01Å; D40-V43 HydrophobicContact CB-CG2 3.92Å; D40-V43 PolarHBondContact O-N 3.12Å; V43-I75 WeakPolarHBondContact CA-O 3.42Å; V43-L77 HydrophobicContact CG1-CB 4.26Å; V43-L77 HydrophobicContact CG1-CD1 3.48Å; V43-L77 VanDerWaalsContact CG1-CD1 3.48Å; V43-L77 HydrophobicContact CG1-CG 3.72Å
44	I	93.6	Very high	86.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.6	171	63.7	162.7	0	0	0	109.9	V64 V74 I75 V76 L77 I87 L89 I107	I44-V64 HydrophobicContact CD1-CG2 4.06Å; I44-V74 HydrophobicContact CB-CG2 4.37Å; I44-V74 HydrophobicContact CD1-CG2 3.55Å; I44-V74 HydrophobicContact CG1-CB 4.28Å; I44-V74 HydrophobicContact CG1-CG2 3.66Å; I44-V74 HydrophobicContact CG2-CB 3.88Å; I44-V74 HydrophobicContact CG2-CG1 3.93Å; I44-V74 HydrophobicContact CG2-CG2 3.77Å; I44-I75 PolarHBondContact N-O 2.88Å; I44-V76 HydrophobicContact CD1-CG1 4.37Å; I44-V76 HydrophobicContact CD1-CG2 3.96Å; I44-V76 HydrophobicContact CG1-CB 4.37Å; I44-V76 HydrophobicContact CG1-CG1 4.26Å; I44-V76 HydrophobicContact CG1-CG2 4.1Å; I44-L77 PolarHBondContact O-N 2.94Å; I44-I87 HydrophobicContact CB-CD1 4.48Å; I44-I87 HydrophobicContact CB-CG1 4.48Å; I44-I87 HydrophobicContact CD1-CD1 3.6Å; I44-I87 HydrophobicContact CD1-CG1 4.32Å; I44-L89 HydrophobicContact CB-CD2 3.94Å; I44-L89 HydrophobicContact CG2-CD2 3.23Å; I44-I107 HydrophobicContact CD1-CD1 3.54Å
45	C	93	Very high	86.9	Confident	10 Å²	10	49 Å²	49	7%	0.068	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.7	178	-58.3	0	0	0	0	111.5	L77 D79 R88	C45-L77 WeakPolarHBondContact CA-O 3.3Å; C45-D79 HydrophobicContact CB-CB 3.67Å; C45-R88 HydrophobicContact CB-CB 4.15Å; C45-R88 PolarHBondContact N-O 2.98Å; C45-R88 PolarHBondContact O-N 2.92Å; C45-R88 VanDerWaalsContact O-N 3.13Å
46	L	93.1	Very high	87.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.8	176.4	-68.2	-176.8	0	0	0	111.4	L31 M51 L54 M56 V76 L77 D79 I87 I107	L31-L46 HydrophobicContact CD1-CD1 4.44Å; L31-L46 HydrophobicContact CD1-CD2 3.44Å; L31-L46 VanDerWaalsContact CD1-CD2 3.44Å; L46-M51 HydrophobicContact CB-CG 3.93Å; L46-M51 HydrophobicContact CB-SD 3.95Å; L46-M51 HydrophobicContact CD1-SD 3.81Å; L46-M51 HydrophobicContact CG-SD 4.41Å; L46-L54 HydrophobicContact CD1-CD1 4.41Å; L46-M56 HydrophobicContact CD1-SD 4.38Å; L46-V76 HydrophobicContact CB-CG1 4.31Å; L46-V76 HydrophobicContact CD1-CG1 3.76Å; L46-V76 HydrophobicContact CG-CG1 3.99Å; L46-L77 PolarHBondContact N-O 3.28Å; L46-D79 PolarHBondContact O-N 3Å; L46-I87 HydrophobicContact CD2-CB 3.72Å; L46-I87 HydrophobicContact CD2-CD1 4.11Å; L46-I87 HydrophobicContact CD2-CG1 3.66Å; L46-I107 HydrophobicContact CD1-CD1 3.83Å
47	N	93.2	Very high	87.9	Confident	18 Å²	18	55.2 Å²	55.2	10%	0.096	29%	0.285	C	S	.	.			trans	-65.6	141.7	170.9	-170.7	-73.3	0	0	0	110.8	E49 K50 M51 C82 P84	N47-E49 VanDerWaalsContact C-N 3.28Å; N47-E49 PolarHBondContact O-N 3.04Å; N47-E49 WeakPolarHBondContact OD1-CB 3.46Å; N47-E49 PolarHBondContact OD1-N 2.94Å; N47-K50 HydrophobicContact CB-CB 4.37Å; N47-K50 PolarHBondContact O-N 2.98Å; N47-K50 VanDerWaalsContact O-N 3.08Å; N47-M51 WeakPolarHBondContact O-CG 3.37Å; N47-M51 PolarHBondContact O-N 2.97Å; N47-C82 WeakPolarHBondContact CB-O 3.37Å; N47-C82 PolarHBondContact ND2-O 3.1Å; N47-P84 HydrophobicContact CB-CB 4.44Å; N47-P84 HydrophobicContact CB-CG 4.39Å
48	P	92.6	Very high	89	Confident	48 Å²	48	58.3 Å²	58.3	31%	0.312	28%	0.283	S	S	.	.	H	α-helix	trans	-48.6	-43.1	173.7	-21.5	23.3	0	0	0	114.9	K50 M51 E52 I78 E80	P48-K50 VanDerWaalsContact C-N 3.31Å; P48-K50 PolarHBondContact O-N 2.96Å; P48-M51 WeakPolarHBondContact O-CB 3.24Å; P48-M51 PolarHBondContact O-N 2.84Å; P48-E52 PolarHBondContact O-N 3.04Å; P48-E52 VanDerWaalsContact O-N 3.12Å; P48-I78 HydrophobicContact CB-CG2 4.34Å; P48-I78 HydrophobicContact CG-CG2 3.6Å; P48-E80 HydrophobicContact CG-CG 4.09Å
49	E	91.4	Very high	90	Very high	135 Å²	135	56.6 Å²	56.6	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-64.5	-38.4	-179.3	-63.5	-179.6	172.4	0	0	111.5	N47 E52 E53	N47-E49 VanDerWaalsContact C-N 3.28Å; N47-E49 PolarHBondContact O-N 3.04Å; N47-E49 WeakPolarHBondContact OD1-CB 3.46Å; N47-E49 PolarHBondContact OD1-N 2.94Å; E49-E52 PolarHBondContact O-N 3.08Å; E49-E53 PolarHBondContact O-N 3.47Å; E49-E53 VanDerWaalsContact O-N 3.07Å
50	K	91.1	Very high	90.9	Very high	21 Å²	21	55.6 Å²	55.6	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-71.3	-35.1	178.3	-173.4	57.7	64.3	-178.8	0	111.7	L31 N47 P48 E53 L54 P84	L31-K50 HydrophobicContact CD1-CG 4.23Å; L31-K50 HydrophobicContact CD2-CD 3.87Å; L31-K50 HydrophobicContact CD2-CG 4Å; N47-K50 HydrophobicContact CB-CB 4.37Å; N47-K50 PolarHBondContact O-N 2.98Å; N47-K50 VanDerWaalsContact O-N 3.08Å; P48-K50 VanDerWaalsContact C-N 3.31Å; P48-K50 PolarHBondContact O-N 2.96Å; K50-E53 WeakPolarHBondContact CE-OE2 3.29Å; K50-E53 IonicContact NZ-OE2 3.68Å; K50-E53 PolarHBondContact NZ-OE2 3.41Å; K50-E53 PolarHBondContact O-N 3.08Å; K50-L54 HydrophobicContact CD-CD1 3.98Å; K50-L54 HydrophobicContact CD-CG 4.14Å; K50-L54 HydrophobicContact CG-CD1 3.9Å; K50-L54 HydrophobicContact CG-CG 4.44Å; K50-L54 WeakPolarHBondContact O-CB 3.48Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.17Å; K50-L54 PolarHBondContact O-N 2.87Å; K50-P84 WeakPolarHBondContact CE-O 3.31Å
51	M	91.1	Very high	91.3	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-45.5	174.2	-72.2	-70.8	-78.9	0	0	111.3	L46 N47 P48 L54 S55 M56 Y57 V76	L46-M51 HydrophobicContact CB-CG 3.93Å; L46-M51 HydrophobicContact CB-SD 3.95Å; L46-M51 HydrophobicContact CD1-SD 3.81Å; L46-M51 HydrophobicContact CG-SD 4.41Å; N47-M51 WeakPolarHBondContact O-CG 3.37Å; N47-M51 PolarHBondContact O-N 2.97Å; P48-M51 WeakPolarHBondContact O-CB 3.24Å; P48-M51 PolarHBondContact O-N 2.84Å; M51-L54 CarbonylContact O-C 3.55Å; M51-L54 PolarHBondContact O-N 3.25Å; M51-S55 PolarHBondContact O-N 3.25Å; M51-M56 HydrophobicContact CE-CB 3.66Å; M51-M56 PolarHBondContact O-N 2.96Å; M51-M56 HydrophobicContact SD-CB 3.7Å; M51-M56 HydrophobicContact SD-SD 4.37Å; M51-Y57 VanDerWaalsContact CE-C 3.41Å; M51-Y57 WeakPolarHBondContact CE-O 3.4Å; M51-V76 HydrophobicContact CE-CB 4.1Å; M51-V76 HydrophobicContact CE-CG1 3.66Å; M51-V76 HydrophobicContact SD-CB 4.28Å; M51-V76 HydrophobicContact SD-CG1 3.29Å; M51-V76 WeakPolarHBondContact SD-CG1 3.42Å
52	E	90.8	Very high	91.6	Very high	160 Å²	160	53.8 Å²	53.8	75%	0.748	27%	0.27	S	S	*	.	H	α-helix	trans	-63	-45.8	176.8	-170.6	175.1	-174.1	0	0	111.5	P48 E49 L54 S55	P48-E52 PolarHBondContact O-N 3.04Å; P48-E52 VanDerWaalsContact O-N 3.12Å; E49-E52 PolarHBondContact O-N 3.08Å; E52-L54 VanDerWaalsContact C-N 3.25Å; E52-L54 PolarHBondContact O-N 3.05Å; E52-S55 PolarHBondContact O-N 2.83Å
53	E	90.7	Very high	91.8	Very high	106 Å²	106	54 Å²	54	50%	0.495	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-35.5	177.2	-172.2	179.9	-166	0	0	112.7	P28 E49 K50	P28-E53 HydrophobicContact CB-CG 4.09Å; P28-E53 WeakPolarHBondContact CB-OE1 3.33Å; E49-E53 PolarHBondContact O-N 3.47Å; E49-E53 VanDerWaalsContact O-N 3.07Å; K50-E53 WeakPolarHBondContact CE-OE2 3.29Å; K50-E53 IonicContact NZ-OE2 3.68Å; K50-E53 PolarHBondContact NZ-OE2 3.41Å; K50-E53 PolarHBondContact O-N 3.08Å
54	L	90.3	Very high	91.9	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.1	178.5	-64.2	174.3	0	0	0	113.7	N29 L46 K50 M51 E52 M56 I107	N29-L54 HydrophobicContact CB-CD2 3.83Å; L46-L54 HydrophobicContact CD1-CD1 4.41Å; K50-L54 HydrophobicContact CD-CD1 3.98Å; K50-L54 HydrophobicContact CD-CG 4.14Å; K50-L54 HydrophobicContact CG-CD1 3.9Å; K50-L54 HydrophobicContact CG-CG 4.44Å; K50-L54 WeakPolarHBondContact O-CB 3.48Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.17Å; K50-L54 PolarHBondContact O-N 2.87Å; M51-L54 CarbonylContact O-C 3.55Å; M51-L54 PolarHBondContact O-N 3.25Å; E52-L54 VanDerWaalsContact C-N 3.25Å; E52-L54 PolarHBondContact O-N 3.05Å; L54-M56 VanDerWaalsContact C-N 3.26Å; L54-M56 HydrophobicContact CB-CE 3.82Å; L54-M56 HydrophobicContact CB-CG 4.08Å; L54-M56 HydrophobicContact CB-SD 4.14Å; L54-M56 HydrophobicContact CD1-CE 3.88Å; L54-M56 HydrophobicContact CD1-SD 4.3Å; L54-M56 HydrophobicContact CG-CE 4.38Å; L54-M56 PolarHBondContact O-N 2.89Å; L54-I107 HydrophobicContact CD1-CG2 3.64Å
55	S	90.2	Very high	91.9	Very high	91 Å²	91	57.2 Å²	57.2	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	43.9	-174.7	-55.6	0	0	0	0	112.7	M51 E52	M51-S55 PolarHBondContact O-N 3.25Å; E52-S55 PolarHBondContact O-N 2.83Å
56	M	89.9	Confident	91.9	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.039	29%	0.291	C	S	.	.			trans	-107.7	146.3	175.4	-66.8	177.1	-165.2	0	0	110.4	L46 M51 L54 V76 I107	L46-M56 HydrophobicContact CD1-SD 4.38Å; M51-M56 HydrophobicContact CE-CB 3.66Å; M51-M56 PolarHBondContact O-N 2.96Å; M51-M56 HydrophobicContact SD-CB 3.7Å; M51-M56 HydrophobicContact SD-SD 4.37Å; L54-M56 VanDerWaalsContact C-N 3.26Å; L54-M56 HydrophobicContact CB-CE 3.82Å; L54-M56 HydrophobicContact CB-CG 4.08Å; L54-M56 HydrophobicContact CB-SD 4.14Å; L54-M56 HydrophobicContact CD1-CE 3.88Å; L54-M56 HydrophobicContact CD1-SD 4.3Å; L54-M56 HydrophobicContact CG-CE 4.38Å; L54-M56 PolarHBondContact O-N 2.89Å; M56-V76 HydrophobicContact SD-CG2 4.25Å; M56-I107 HydrophobicContact CE-CD1 3.83Å; M56-I107 HydrophobicContact CE-CG1 3.76Å; M56-I107 HydrophobicContact CE-CG2 4.16Å; M56-I107 HydrophobicContact SD-CD1 3.95Å
57	Y	90.7	Very high	91.6	Very high	174 Å²	174	62.3 Å²	62.3	68%	0.682	31%	0.311	S	S	*	.			trans	-113.9	160.2	174.5	-62	-85	0	0	0	111.2	M51 G59 D60	M51-Y57 VanDerWaalsContact CE-C 3.41Å; M51-Y57 WeakPolarHBondContact CE-O 3.4Å; Y57-G59 PolarHBondContact O-N 3.06Å; Y57-D60 PolarHBondContact N-OD2 3.22Å; Y57-D60 WeakPolarHBondContact O-CB 3.33Å; Y57-D60 PolarHBondContact O-N 2.8Å
58	R	89.9	Confident	91.3	Very high	187 Å²	187	69 Å²	69	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	124	176.1	-179.7	-177.5	175.6	179.5	0.1	109.7	L77 I78	R58-L77 HydrophobicContact CG-CD2 3.88Å; R58-I78 HydrophobicContact CB-CD1 4.09Å; R58-I78 HydrophobicContact CB-CG1 4.31Å
59	G	89.1	Confident	91	Very high	43 Å²	43	78.5 Å²	78.5	44%	0.443	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-5	-179	0	0	0	0	0	114.4	Y57 V76	Y57-G59 PolarHBondContact O-N 3.06Å; G59-V76 PolarHBondContact N-O 3.42Å
60	D	92.1	Very high	91	Very high	50 Å²	50	75.8 Å²	75.8	27%	0.267	35%	0.35	S	S	.	.			trans	-63.3	145.5	174.4	-76.8	-4.2	0	0	0	111.1	Y57 V76	Y57-D60 PolarHBondContact N-OD2 3.22Å; Y57-D60 WeakPolarHBondContact O-CB 3.33Å; Y57-D60 PolarHBondContact O-N 2.8Å; D60-V76 PolarHBondContact O-N 2.85Å
61	T	93.3	Very high	91.2	Very high	21 Å²	21	76.1 Å²	76.1	13%	0.129	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.3	170	45.5	0	0	0	0	110.9	V74 I110 V113 P150 I180	T61-V74 CarbonylContact C-O 3.56Å; T61-V74 WeakPolarHBondContact CA-O 3.33Å; T61-I110 PolarHBondContact O-N 2.91Å; T61-I110 VanDerWaalsContact O-O 3.05Å; T61-I110 PolarHBondContact OG1-O 3.19Å; T61-V113 HydrophobicContact CG2-CG2 4.42Å; T61-V113 WeakPolarHBondContact OG1-CG2 3.49Å; T61-P150 HydrophobicContact CG2-CB 4.46Å; T61-I180 HydrophobicContact CG2-CD1 4.28Å
62	A	94.2	Very high	91.4	Very high	0 Å²	0	76 Å²	76	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.1	177.7	0	0	0	0	0	111.2	V73 V74 V76 I107 Q108	A62-V73 WeakPolarHBondContact O-CA 3.37Å; A62-V74 HydrophobicContact CB-CG2 4.48Å; A62-V74 PolarHBondContact N-O 2.72Å; A62-V74 PolarHBondContact O-N 2.73Å; A62-V76 HydrophobicContact CB-CG2 3.57Å; A62-I107 HydrophobicContact CB-CD1 3.92Å; A62-I107 HydrophobicContact CB-CG1 3.88Å; A62-Q108 CarbonylContact C-O 3.55Å; A62-Q108 VanDerWaalsContact CA-O 3.31Å; A62-Q108 WeakPolarHBondContact CA-O 3.39Å
63	I	94.8	Very high	91.6	Very high	12 Å²	12	68.5 Å²	68.5	6%	0.062	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	168.8	-167.1	161.5	0	0	0	110	D71 T72 I107 Q108 I110	I63-D71 HydrophobicContact CD1-CB 4.13Å; I63-D71 WeakPolarHBondContact CD1-OD2 3.43Å; I63-D71 HydrophobicContact CG1-CB 3.95Å; I63-T72 WeakPolarHBondContact CA-O 3.17Å; I63-T72 WeakPolarHBondContact CG1-O 3.23Å; I63-I107 CarbonylContact O-C 3.5Å; I63-I107 WeakPolarHBondContact O-CA 3.47Å; I63-Q108 HydrophobicContact CG2-CB 3.8Å; I63-Q108 HydrophobicContact CG2-CG 4.45Å; I63-Q108 PolarHBondContact N-O 3.06Å; I63-Q108 PolarHBondContact O-N 2.78Å; I63-I110 HydrophobicContact CB-CD1 3.51Å; I63-I110 HydrophobicContact CB-CG1 4.19Å; I63-I110 HydrophobicContact CD1-CD1 4.17Å; I63-I110 HydrophobicContact CG1-CD1 4.43Å; I63-I110 HydrophobicContact CG2-CD1 3.64Å; I63-I110 HydrophobicContact CG2-CG1 3.96Å
64	V	94.8	Very high	91.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.2	175.2	-176.2	0	0	0	0	107.8	I44 D71 T72 V74 I87 I97 V105 I107	I44-V64 HydrophobicContact CD1-CG2 4.06Å; V64-D71 CarbonylContact O-C 3.42Å; V64-D71 WeakPolarHBondContact O-CA 3.45Å; V64-D71 WeakPolarHBondContact O-CB 3.4Å; V64-T72 HydrophobicContact CB-CG2 4.49Å; V64-T72 PolarHBondContact N-O 3.14Å; V64-T72 PolarHBondContact O-N 3.2Å; V64-V74 HydrophobicContact CG2-CG2 3.66Å; V64-I87 HydrophobicContact CG2-CD1 4.42Å; V64-I97 HydrophobicContact CG1-CD1 3.66Å; V64-V105 HydrophobicContact CG1-CB 3.89Å; V64-V105 HydrophobicContact CG1-CG1 4.2Å; V64-V105 HydrophobicContact CG1-CG2 4.09Å; V64-I107 HydrophobicContact CG2-CG1 4.22Å
65	K	94.3	Very high	91.9	Very high	81 Å²	81	63.8 Å²	63.8	35%	0.352	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.3	178	-45	-174	168.9	164.9	0	109.7	D71 S106	K65-D71 HydrophobicContact CB-CB 4.11Å; K65-D71 HydrophobicContact CG-CB 3.76Å; K65-S106 WeakPolarHBondContact CB-OG 3.38Å; K65-S106 PolarHBondContact N-O 3.26Å; K65-S106 PolarHBondContact O-N 3.19Å
66	G	91.6	Very high	92.1	Very high	23 Å²	23	59.4 Å²	59.4	24%	0.237	27%	0.266	C	S	.	.			trans	-111.8	-141	178.8	0	0	0	0	0	112.7	K70 I97	G66-K70 PolarHBondContact N-O 3.3Å; G66-I97 WeakPolarHBondContact CA-O 3.41Å
67	K	87.9	Confident	92.2	Very high	93 Å²	93	61.2 Å²	61.2	40%	0.404	28%	0.275	S	S	.	.	S	Bend	trans	-87.1	171.7	-179.5	-69.1	174.9	178.1	169.1	0	110.6	R69 K70 I97 V99 D103	K67-R69 PolarHBondContact O-N 3.01Å; K67-K70 PolarHBondContact O-N 2.7Å; K67-I97 PolarHBondContact N-O 3.28Å; K67-V99 HydrophobicContact CG-CG1 4.27Å; K67-D103 WeakPolarHBondContact CE-OD2 3.3Å; K67-D103 IonicContact NZ-OD1 3Å; K67-D103 PolarHBondContact NZ-OD1 2.94Å; K67-D103 IonicContact NZ-OD2 2.65Å; K67-D103 PolarHBondContact NZ-OD2 3.46Å
68	R	86.2	Confident	92.2	Very high	160 Å²	160	56.9 Å²	56.9	60%	0.604	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	29	177.4	-60.5	-171.6	176.8	177.3	4.2	115	K70 E199	R68-K70 PolarHBondContact O-N 3.28Å; R68-E199 IonicContact CZ-OE2 2.66Å; R68-E199 IonicContact NH1-OE1 3.25Å; R68-E199 PolarHBondContact NH1-OE1 2.9Å; R68-E199 IonicContact NH1-OE2 2.74Å; R68-E199 PolarHBondContact NH1-OE2 2.94Å
69	R	87.2	Confident	92.2	Very high	246 Å²	246	49.3 Å²	49.3	93%	0.928	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	26.2	-176.9	-54.6	179.1	177.3	179.6	-0.7	113.6	K67	K67-R69 PolarHBondContact O-N 3.01Å
70	K	91.6	Very high	92.3	Very high	78 Å²	78	55.1 Å²	55.1	34%	0.339	25%	0.252	S	S	.	.			trans	-88.7	139.4	172	-64.6	-72.1	-173	165.1	0	109.5	G66 K67 R68 N96 R98	G66-K70 PolarHBondContact N-O 3.3Å; K67-K70 PolarHBondContact O-N 2.7Å; R68-K70 PolarHBondContact O-N 3.28Å; K70-N96 WeakPolarHBondContact CB-O 3.26Å; K70-R98 HydrophobicContact CG-CG 4.22Å
71	D	94	Very high	92.1	Very high	29 Å²	29	57.6 Å²	57.6	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.7	173.7	56.6	8.4	0	0	0	109.8	I63 V64 K65 R152	I63-D71 HydrophobicContact CD1-CB 4.13Å; I63-D71 WeakPolarHBondContact CD1-OD2 3.43Å; I63-D71 HydrophobicContact CG1-CB 3.95Å; V64-D71 CarbonylContact O-C 3.42Å; V64-D71 WeakPolarHBondContact O-CA 3.45Å; V64-D71 WeakPolarHBondContact O-CB 3.4Å; K65-D71 HydrophobicContact CB-CB 4.11Å; K65-D71 HydrophobicContact CG-CB 3.76Å; D71-R152 WeakPolarHBondContact O-CD 3.4Å; D71-R152 PolarHBondContact O-NE 3.15Å; D71-R152 IonicContact OD1-CZ 3.84Å; D71-R152 IonicContact OD1-NE 3.99Å; D71-R152 PolarHBondContact OD1-NE 3.11Å; D71-R152 IonicContact OD1-NH2 2.75Å; D71-R152 PolarHBondContact OD1-NH2 3.04Å
72	T	94.9	Very high	91.8	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.5	-179.3	-174.1	0	0	0	0	109.8	I63 V64 V74 V93 I97 D155	I63-T72 WeakPolarHBondContact CA-O 3.17Å; I63-T72 WeakPolarHBondContact CG1-O 3.23Å; V64-T72 HydrophobicContact CB-CG2 4.49Å; V64-T72 PolarHBondContact N-O 3.14Å; V64-T72 PolarHBondContact O-N 3.2Å; T72-V74 HydrophobicContact CG2-CG1 4.21Å; T72-V93 HydrophobicContact CG2-CG1 3.95Å; T72-I97 HydrophobicContact CG2-CG2 3.42Å; T72-I97 VanDerWaalsContact CG2-CG2 3.42Å; T72-D155 WeakPolarHBondContact CB-OD2 3.47Å; T72-D155 PolarHBondContact OG1-OD2 3.31Å
73	V	95.1	Very high	91.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.9	-179	-171.3	0	0	0	0	109.3	A62 P150 R152 Y178	A62-V73 WeakPolarHBondContact O-CA 3.37Å; V73-P150 HydrophobicContact CB-CB 4.06Å; V73-P150 HydrophobicContact CG1-CB 3.62Å; V73-P150 HydrophobicContact CG1-CG 4.35Å; V73-R152 HydrophobicContact CG2-CB 4.49Å; V73-Y178 HydrophobicContact CG2-CD1 3.82Å; V73-Y178 HydrophobicContact CG2-CD2 4.33Å; V73-Y178 HydrophobicContact CG2-CG 3.69Å
74	V	94.5	Very high	91.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.1	-172.7	-65.3	0	0	0	0	111	S42 I44 T61 A62 V64 T72 V93	S42-V74 CarbonylContact O-C 3.58Å; S42-V74 WeakPolarHBondContact O-CA 3.37Å; S42-V74 WeakPolarHBondContact O-CB 3.49Å; I44-V74 HydrophobicContact CB-CG2 4.37Å; I44-V74 HydrophobicContact CD1-CG2 3.55Å; I44-V74 HydrophobicContact CG1-CB 4.28Å; I44-V74 HydrophobicContact CG1-CG2 3.66Å; I44-V74 HydrophobicContact CG2-CB 3.88Å; I44-V74 HydrophobicContact CG2-CG1 3.93Å; I44-V74 HydrophobicContact CG2-CG2 3.77Å; T61-V74 CarbonylContact C-O 3.56Å; T61-V74 WeakPolarHBondContact CA-O 3.33Å; A62-V74 HydrophobicContact CB-CG2 4.48Å; A62-V74 PolarHBondContact N-O 2.72Å; A62-V74 PolarHBondContact O-N 2.73Å; V64-V74 HydrophobicContact CG2-CG2 3.66Å; T72-V74 HydrophobicContact CG2-CG1 4.21Å; V74-V93 HydrophobicContact CG1-CG1 4.22Å; V74-V93 HydrophobicContact CG1-CG2 4.03Å
75	I	94	Very high	91	Very high	36 Å²	36	67.6 Å²	67.6	19%	0.185	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.9	171.5	-57	177.9	0	0	0	108.6	S42 V43 I44 P150	S42-I75 PolarHBondContact O-N 2.75Å; V43-I75 WeakPolarHBondContact CA-O 3.42Å; I44-I75 PolarHBondContact N-O 2.88Å; I75-P150 HydrophobicContact CD1-CG 4.46Å; I75-P150 HydrophobicContact CG1-CG 3.8Å
76	V	93.1	Very high	90.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126	-179.1	-163.2	0	0	0	0	111.7	I44 L46 M51 M56 G59 D60 A62 I107	I44-V76 HydrophobicContact CD1-CG1 4.37Å; I44-V76 HydrophobicContact CD1-CG2 3.96Å; I44-V76 HydrophobicContact CG1-CB 4.37Å; I44-V76 HydrophobicContact CG1-CG1 4.26Å; I44-V76 HydrophobicContact CG1-CG2 4.1Å; L46-V76 HydrophobicContact CB-CG1 4.31Å; L46-V76 HydrophobicContact CD1-CG1 3.76Å; L46-V76 HydrophobicContact CG-CG1 3.99Å; M51-V76 HydrophobicContact CE-CB 4.1Å; M51-V76 HydrophobicContact CE-CG1 3.66Å; M51-V76 HydrophobicContact SD-CB 4.28Å; M51-V76 HydrophobicContact SD-CG1 3.29Å; M51-V76 WeakPolarHBondContact SD-CG1 3.42Å; M56-V76 HydrophobicContact SD-CG2 4.25Å; G59-V76 PolarHBondContact N-O 3.42Å; D60-V76 PolarHBondContact O-N 2.85Å; A62-V76 HydrophobicContact CB-CG2 3.57Å; V76-I107 HydrophobicContact CG2-CD1 4.45Å
77	L	93.3	Very high	90.9	Very high	45 Å²	45	67.6 Å²	67.6	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	162.9	172	-64.2	-173.5	0	0	0	111.7	V43 I44 C45 L46 R58	V43-L77 HydrophobicContact CG1-CB 4.26Å; V43-L77 HydrophobicContact CG1-CD1 3.48Å; V43-L77 VanDerWaalsContact CG1-CD1 3.48Å; V43-L77 HydrophobicContact CG1-CG 3.72Å; I44-L77 PolarHBondContact O-N 2.94Å; C45-L77 WeakPolarHBondContact CA-O 3.3Å; L46-L77 PolarHBondContact N-O 3.28Å; R58-L77 HydrophobicContact CG-CD2 3.88Å
78	I	91.4	Very high	91.1	Very high	83 Å²	83	64.9 Å²	64.9	43%	0.426	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.7	-179.6	-61.2	174.5	0	0	0	109.4	P48 R58	P48-I78 HydrophobicContact CB-CG2 4.34Å; P48-I78 HydrophobicContact CG-CG2 3.6Å; R58-I78 HydrophobicContact CB-CD1 4.09Å; R58-I78 HydrophobicContact CB-CG1 4.31Å
79	D	89.6	Confident	91.4	Very high	29 Å²	29	57.3 Å²	57.3	16%	0.155	27%	0.272	C	S	.	.			trans	-141	110	172.1	-176.8	-12	0	0	0	110.2	C45 L46 T81 C82 R88	C45-D79 HydrophobicContact CB-CB 3.67Å; L46-D79 PolarHBondContact O-N 3Å; D79-T81 PolarHBondContact O-N 3Å; D79-T81 WeakPolarHBondContact OD1-CB 3.37Å; D79-T81 PolarHBondContact OD1-N 3.22Å; D79-T81 PolarHBondContact OD1-OG1 2.99Å; D79-C82 HydrophobicContact CB-CB 4.15Å; D79-C82 WeakPolarHBondContact O-CB 3.18Å; D79-C82 PolarHBondContact O-N 3.24Å; D79-R88 IonicContact OD1-NH1 3.47Å; D79-R88 IonicContact OD2-CZ 3.89Å; D79-R88 IonicContact OD2-NE 3.33Å; D79-R88 IonicContact OD2-NH1 2.75Å; D79-R88 PolarHBondContact OD2-NH1 2.94Å
80	E	89.6	Confident	91.5	Very high	165 Å²	165	45.7 Å²	45.7	77%	0.771	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.2	-178.4	-62.2	-176.5	174.7	0	0	112.8	P48 C82	P48-E80 HydrophobicContact CG-CG 4.09Å; E80-C82 VanDerWaalsContact C-N 3.33Å
81	T	88.3	Confident	91.3	Very high	101 Å²	101	43.1 Å²	43.1	62%	0.62	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.5	179.6	72	0	0	0	0	112.8	D79 R88	D79-T81 PolarHBondContact O-N 3Å; D79-T81 WeakPolarHBondContact OD1-CB 3.37Å; D79-T81 PolarHBondContact OD1-N 3.22Å; D79-T81 PolarHBondContact OD1-OG1 2.99Å; T81-R88 PolarHBondContact O-NH2 2.99Å; T81-R88 VanDerWaalsContact O-NH2 3.1Å; T81-R88 PolarHBondContact OG1-NH1 2.66Å; T81-R88 PolarHBondContact OG1-NH2 2.74Å
82	C	87	Confident	91.1	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.211	C	C	.	.	S	Bend	trans	-78.1	126.7	177.4	-172.4	0	0	0	0	109.7	N47 D79 E80	N47-C82 WeakPolarHBondContact CB-O 3.37Å; N47-C82 PolarHBondContact ND2-O 3.1Å; D79-C82 HydrophobicContact CB-CB 4.15Å; D79-C82 WeakPolarHBondContact O-CB 3.18Å; D79-C82 PolarHBondContact O-N 3.24Å; E80-C82 VanDerWaalsContact C-N 3.33Å
83	P	88.9	Confident	91	Very high	53 Å²	53	41.9 Å²	41.9	34%	0.344	21%	0.21	S	C	.	.			trans	-62.1	145.7	174.9	-24.5	35.5	0	0	0	112.3	E85 R86	P83-E85 PolarHBondContact O-N 2.96Å; P83-E85 VanDerWaalsContact O-N 3.08Å; P83-R86 HydrophobicContact CB-CB 4.45Å; P83-R86 HydrophobicContact CB-CG 4.18Å; P83-R86 HydrophobicContact CG-CG 4.42Å; P83-R86 PolarHBondContact O-N 2.92Å
84	P	89.3	Confident	90.8	Very high	46 Å²	46	41.9 Å²	41.9	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30	-177.1	-27.5	34	0	0	0	115.3	N47 K50 R86	N47-P84 HydrophobicContact CB-CB 4.44Å; N47-P84 HydrophobicContact CB-CG 4.39Å; K50-P84 WeakPolarHBondContact CE-O 3.31Å; P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 2.77Å
85	E	88.8	Confident	90.6	Very high	143 Å²	143	42.5 Å²	42.5	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.9	-179.2	-58.8	-176.6	169.1	0	0	113.9	I32 P83	I32-E85 PolarHBondContact N-O 3.01Å; P83-E85 PolarHBondContact O-N 2.96Å; P83-E85 VanDerWaalsContact O-N 3.08Å
86	R	91	Very high	90.5	Very high	104 Å²	104	41.3 Å²	41.3	39%	0.392	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	160.7	-172.2	-61.8	-170.5	-178.3	-160.2	-5.1	112.6	I32 E34 P83 P84	I32-R86 HydrophobicContact CB-CG 4.4Å; I32-R86 CarbonylContact O-C 3.58Å; I32-R86 VanDerWaalsContact O-CA 3.23Å; I32-R86 WeakPolarHBondContact O-CA 3.38Å; E34-R86 HydrophobicContact CB-CB 4.37Å; E34-R86 IonicContact OE1-CZ 2.94Å; E34-R86 IonicContact OE1-NH1 2.7Å; E34-R86 PolarHBondContact OE1-NH1 3.3Å; E34-R86 WeakPolarHBondContact OE2-CD 3.49Å; E34-R86 IonicContact OE2-NH1 2.72Å; P83-R86 HydrophobicContact CB-CB 4.45Å; P83-R86 HydrophobicContact CB-CG 4.18Å; P83-R86 HydrophobicContact CG-CG 4.42Å; P83-R86 PolarHBondContact O-N 2.92Å; P84-R86 VanDerWaalsContact C-N 3.29Å; P84-R86 PolarHBondContact O-N 2.77Å
87	I	93.5	Very high	90.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.8	174.5	-179.3	172.4	0	0	0	108.9	L31 I32 V33 E34 I44 L46 V64 L89 V105 I107	L31-I87 HydrophobicContact CB-CB 3.95Å; L31-I87 HydrophobicContact CB-CG2 3.67Å; L31-I87 HydrophobicContact CD1-CB 3.94Å; L31-I87 HydrophobicContact CD1-CD1 4.48Å; I32-I87 PolarHBondContact O-N 3.02Å; V33-I87 HydrophobicContact CG2-CG2 4.34Å; E34-I87 PolarHBondContact N-O 3.31Å; I44-I87 HydrophobicContact CB-CD1 4.48Å; I44-I87 HydrophobicContact CB-CG1 4.48Å; I44-I87 HydrophobicContact CD1-CD1 3.6Å; I44-I87 HydrophobicContact CD1-CG1 4.32Å; L46-I87 HydrophobicContact CD2-CB 3.72Å; L46-I87 HydrophobicContact CD2-CD1 4.11Å; L46-I87 HydrophobicContact CD2-CG1 3.66Å; V64-I87 HydrophobicContact CG2-CD1 4.42Å; I87-L89 HydrophobicContact CD1-CD2 3.67Å; I87-L89 HydrophobicContact CD1-CG 4.45Å; I87-L89 HydrophobicContact CG1-CD2 3.68Å; I87-L89 HydrophobicContact CG1-CG 4.19Å; I87-L89 HydrophobicContact CG2-CG 4.42Å; I87-V105 HydrophobicContact CD1-CG2 4.47Å; I87-V105 HydrophobicContact CG2-CG2 3.55Å; I87-I107 HydrophobicContact CD1-CD1 4.31Å
88	R	92.5	Very high	90.3	Very high	37 Å²	37	40.8 Å²	40.8	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.7	177.1	-65.2	-175.3	-179.2	173.2	0.5	109.8	E34 D35 N36 C45 D79 T81	E34-R88 HydrophobicContact CB-CG 4.33Å; E34-R88 HydrophobicContact CG-CG 4.49Å; E34-R88 WeakPolarHBondContact O-CA 3.39Å; D35-R88 WeakPolarHBondContact O-CG 3.36Å; N36-R88 HydrophobicContact CB-CB 3.9Å; C45-R88 HydrophobicContact CB-CB 4.15Å; C45-R88 PolarHBondContact N-O 2.98Å; C45-R88 PolarHBondContact O-N 2.92Å; C45-R88 VanDerWaalsContact O-N 3.13Å; D79-R88 IonicContact OD1-NH1 3.47Å; D79-R88 IonicContact OD2-CZ 3.89Å; D79-R88 IonicContact OD2-NE 3.33Å; D79-R88 IonicContact OD2-NH1 2.75Å; D79-R88 PolarHBondContact OD2-NH1 2.94Å; T81-R88 PolarHBondContact O-NH2 2.99Å; T81-R88 VanDerWaalsContact O-NH2 3.1Å; T81-R88 PolarHBondContact OG1-NH1 2.66Å; T81-R88 PolarHBondContact OG1-NH2 2.74Å
89	L	92.1	Very high	90.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.5	179.2	-56.7	-176.5	0	0	0	109.2	V33 E34 I44 I87 V93 R94 I97 V99 V105	V33-L89 HydrophobicContact CB-CD1 4.43Å; V33-L89 HydrophobicContact CG1-CB 4.24Å; V33-L89 HydrophobicContact CG1-CD1 3.88Å; V33-L89 HydrophobicContact CG1-CG 4.18Å; V33-L89 HydrophobicContact CG2-CD1 3.72Å; E34-L89 PolarHBondContact O-N 3.01Å; I44-L89 HydrophobicContact CB-CD2 3.94Å; I44-L89 HydrophobicContact CG2-CD2 3.23Å; I87-L89 HydrophobicContact CD1-CD2 3.67Å; I87-L89 HydrophobicContact CD1-CG 4.45Å; I87-L89 HydrophobicContact CG1-CD2 3.68Å; I87-L89 HydrophobicContact CG1-CG 4.19Å; I87-L89 HydrophobicContact CG2-CG 4.42Å; L89-V93 HydrophobicContact CB-CG1 4.32Å; L89-V93 HydrophobicContact CD1-CG1 4.29Å; L89-V93 HydrophobicContact CD2-CG1 3.97Å; L89-V93 HydrophobicContact CG-CG1 4.44Å; L89-R94 HydrophobicContact CB-CG 3.78Å; L89-R94 HydrophobicContact CD1-CG 4.42Å; L89-R94 PolarHBondContact O-NH1 2.89Å; L89-I97 HydrophobicContact CD1-CD1 3.94Å; L89-V99 HydrophobicContact CD1-CG2 4.5Å; L89-V105 HydrophobicContact CD1-CG1 4.44Å
90	N	89.9	Confident	90	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	18%	0.181	C	C	.	.			trans	-69.7	167.7	170.1	92.2	-24.7	0	0	0	110.8	N36 D39 D40 N41 V92 V93 R94	N36-N90 HydrophobicContact CB-CB 4.49Å; D39-N90 PolarHBondContact O-ND2 2.87Å; D40-N90 PolarHBondContact O-ND2 2.91Å; N41-N90 VanDerWaalsContact CA-ND2 3.34Å; N41-N90 WeakPolarHBondContact CA-ND2 3.4Å; N41-N90 PolarHBondContact OD1-ND2 3.03Å; N90-V92 VanDerWaalsContact C-N 3.35Å; N90-V92 PolarHBondContact O-N 2.86Å; N90-V92 PolarHBondContact OD1-N 3.47Å; N90-V93 PolarHBondContact O-N 2.89Å; N90-V93 WeakPolarHBondContact OD1-CB 3.4Å; N90-V93 VanDerWaalsContact OD1-CG2 3.27Å; N90-V93 WeakPolarHBondContact OD1-CG2 3.4Å; N90-V93 PolarHBondContact OD1-N 2.83Å; N90-R94 WeakPolarHBondContact O-CG 3.48Å; N90-R94 PolarHBondContact O-N 3Å
91	R	86.5	Confident	89.6	Confident	24 Å²	24	30.3 Å²	30.3	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-175.1	-173.1	173.2	174.9	-179.7	-7.7	113.9	R94 N95 R202 L203 D205 D209 D210	R91-R94 PolarHBondContact O-N 3.17Å; R91-N95 WeakPolarHBondContact O-CB 3.41Å; R91-N95 PolarHBondContact O-N 2.82Å; R91-R202 PolarHBondContact NH2-O 3.37Å; R91-L203 HydrophobicContact CG-CD2 4.12Å; R91-L203 PolarHBondContact NH1-O 3.27Å; R91-L203 PolarHBondContact NH2-O 3.22Å; R91-D205 PolarHBondContact NH1-O 2.94Å; R91-D205 PolarHBondContact NH2-O 2.85Å; R91-D209 IonicContact NH1-OD1 2.88Å; R91-D210 IonicContact NH1-OD2 3.55Å
92	V	90.7	Very high	89.2	Confident	6 Å²	6	26.7 Å²	26.7	4%	0.036	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-49.1	177.9	174.6	0	0	0	0	110.9	N41 N90 R94 N95 N96 T156 F157 T158 L203	N41-V92 HydrophobicContact CB-CG1 4.36Å; N41-V92 VanDerWaalsContact OD1-CG2 3.32Å; N41-V92 WeakPolarHBondContact OD1-CG2 3.36Å; N90-V92 VanDerWaalsContact C-N 3.35Å; N90-V92 PolarHBondContact O-N 2.86Å; N90-V92 PolarHBondContact OD1-N 3.47Å; V92-R94 PolarHBondContact O-N 3.09Å; V92-N95 PolarHBondContact O-N 3.01Å; V92-N96 PolarHBondContact O-N 3.27Å; V92-N96 PolarHBondContact O-ND2 3.34Å; V92-T156 WeakPolarHBondContact CG1-O 3.24Å; V92-F157 HydrophobicContact CG1-CB 4.22Å; V92-T158 WeakPolarHBondContact CG2-OG1 3.37Å; V92-L203 HydrophobicContact CG2-CD1 4.36Å; V92-L203 HydrophobicContact CG2-CD2 4.25Å
93	V	92.7	Very high	89.3	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-44.5	177.5	175.1	0	0	0	0	110.9	N41 T72 V74 L89 N90 N95 N96 I97	N41-V93 WeakPolarHBondContact O-CG2 3.39Å; T72-V93 HydrophobicContact CG2-CG1 3.95Å; V74-V93 HydrophobicContact CG1-CG1 4.22Å; V74-V93 HydrophobicContact CG1-CG2 4.03Å; L89-V93 HydrophobicContact CB-CG1 4.32Å; L89-V93 HydrophobicContact CD1-CG1 4.29Å; L89-V93 HydrophobicContact CD2-CG1 3.97Å; L89-V93 HydrophobicContact CG-CG1 4.44Å; N90-V93 PolarHBondContact O-N 2.89Å; N90-V93 WeakPolarHBondContact OD1-CB 3.4Å; N90-V93 VanDerWaalsContact OD1-CG2 3.27Å; N90-V93 WeakPolarHBondContact OD1-CG2 3.4Å; N90-V93 PolarHBondContact OD1-N 2.83Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.16Å; V93-N96 PolarHBondContact O-N 2.82Å; V93-I97 HydrophobicContact CG1-CD1 4.5Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 3.39Å
94	R	90.9	Very high	89.3	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-45.6	177	-69.7	-163.1	-57.7	-104.3	15.9	111.9	V33 D35 L89 N90 R91 V92 I97 R98 V99 E266	V33-R94 HydrophobicContact CG1-CG 4.06Å; D35-R94 IonicContact OD1-CZ 3.65Å; D35-R94 IonicContact OD1-NH1 3.66Å; D35-R94 PolarHBondContact OD1-NH1 3.25Å; D35-R94 IonicContact OD1-NH2 3.27Å; D35-R94 PolarHBondContact OD1-NH2 2.75Å; L89-R94 HydrophobicContact CB-CG 3.78Å; L89-R94 HydrophobicContact CD1-CG 4.42Å; L89-R94 PolarHBondContact O-NH1 2.89Å; N90-R94 WeakPolarHBondContact O-CG 3.48Å; N90-R94 PolarHBondContact O-N 3Å; R91-R94 PolarHBondContact O-N 3.17Å; V92-R94 PolarHBondContact O-N 3.09Å; R94-I97 PolarHBondContact O-N 2.91Å; R94-R98 PolarHBondContact O-N 2.86Å; R94-V99 HydrophobicContact CB-CG2 4.21Å; R94-V99 HydrophobicContact CG-CG2 4.32Å; R94-V99 PolarHBondContact O-N 3.01Å; R94-E266 IonicContact NH2-OE1 3.72Å; R94-E266 PolarHBondContact NH2-OE1 3.47Å; R94-E266 IonicContact NH2-OE2 3.12Å
95	N	89	Confident	89.5	Confident	13 Å²	13	26 Å²	26	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-45.6	-179.6	-80.7	6.7	0	0	0	111.5	R91 V92 V93 I97 R98 R100 L203	R91-N95 WeakPolarHBondContact O-CB 3.41Å; R91-N95 PolarHBondContact O-N 2.82Å; V92-N95 PolarHBondContact O-N 3.01Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.16Å; N95-I97 VanDerWaalsContact C-N 3.3Å; N95-I97 PolarHBondContact O-N 3.41Å; N95-R98 WeakPolarHBondContact O-CD 3.47Å; N95-R98 PolarHBondContact O-N 2.98Å; N95-R98 PolarHBondContact O-NH1 2.6Å; N95-R100 PolarHBondContact OD1-NH1 3.39Å; N95-L203 HydrophobicContact CB-CD2 4.13Å; N95-L203 WeakPolarHBondContact ND2-CD2 3.44Å
96	N	92.4	Very high	89.7	Confident	11 Å²	11	20.9 Å²	20.9	6%	0.059	11%	0.105	C	C	.	.	H	α-helix	trans	-56	-41.5	178.1	-78.5	-31.9	0	0	0	113.2	K70 V92 V93 R98 T156	K70-N96 WeakPolarHBondContact CB-O 3.26Å; V92-N96 PolarHBondContact O-N 3.27Å; V92-N96 PolarHBondContact O-ND2 3.34Å; V93-N96 PolarHBondContact O-N 2.82Å; N96-R98 PolarHBondContact O-NH1 2.89Å; N96-T156 PolarHBondContact ND2-O 3.45Å; N96-T156 PolarHBondContact OD1-N 3.48Å; N96-T156 PolarHBondContact OD1-O 3.03Å; N96-T156 PolarHBondContact OD1-OG1 3.04Å
97	I	93	Very high	89.9	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	5.9	179.7	71.3	-173.7	0	0	0	114.1	V64 G66 K67 T72 L89 V93 R94 N95 V99 V105	V64-I97 HydrophobicContact CG1-CD1 3.66Å; G66-I97 WeakPolarHBondContact CA-O 3.41Å; K67-I97 PolarHBondContact N-O 3.28Å; T72-I97 HydrophobicContact CG2-CG2 3.42Å; T72-I97 VanDerWaalsContact CG2-CG2 3.42Å; L89-I97 HydrophobicContact CD1-CD1 3.94Å; V93-I97 HydrophobicContact CG1-CD1 4.5Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 3.39Å; R94-I97 PolarHBondContact O-N 2.91Å; N95-I97 VanDerWaalsContact C-N 3.3Å; N95-I97 PolarHBondContact O-N 3.41Å; I97-V99 HydrophobicContact CD1-CG1 4.39Å; I97-V99 HydrophobicContact CD1-CG2 3.66Å; I97-V99 HydrophobicContact CG1-CB 4.26Å; I97-V99 HydrophobicContact CG1-CG1 3.99Å; I97-V99 HydrophobicContact CG1-CG2 3.48Å; I97-V99 VanDerWaalsContact CG1-CG2 3.48Å; I97-V99 PolarHBondContact O-N 3.13Å; I97-V105 HydrophobicContact CD1-CG1 3.79Å
98	R	89.3	Confident	89.8	Confident	35 Å²	35	21.1 Å²	21.1	13%	0.132	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	44.9	176.4	-55.7	-66.2	-171.5	-86.9	0.3	113	K70 R94 N95 N96 E200	K70-R98 HydrophobicContact CG-CG 4.22Å; R94-R98 PolarHBondContact O-N 2.86Å; N95-R98 WeakPolarHBondContact O-CD 3.47Å; N95-R98 PolarHBondContact O-N 2.98Å; N95-R98 PolarHBondContact O-NH1 2.6Å; N96-R98 PolarHBondContact O-NH1 2.89Å; R98-E200 IonicContact NH2-OE1 2.82Å
99	V	89.7	Confident	89.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.			trans	-117.5	160.2	175.4	-60.7	0	0	0	0	110.9	V33 K67 L89 R94 I97 D103 V105	V33-V99 HydrophobicContact CG2-CG2 4.08Å; K67-V99 HydrophobicContact CG-CG1 4.27Å; L89-V99 HydrophobicContact CD1-CG2 4.5Å; R94-V99 HydrophobicContact CB-CG2 4.21Å; R94-V99 HydrophobicContact CG-CG2 4.32Å; R94-V99 PolarHBondContact O-N 3.01Å; I97-V99 HydrophobicContact CD1-CG1 4.39Å; I97-V99 HydrophobicContact CD1-CG2 3.66Å; I97-V99 HydrophobicContact CG1-CB 4.26Å; I97-V99 HydrophobicContact CG1-CG1 3.99Å; I97-V99 HydrophobicContact CG1-CG2 3.48Å; I97-V99 VanDerWaalsContact CG1-CG2 3.48Å; I97-V99 PolarHBondContact O-N 3.13Å; V99-D103 HydrophobicContact CB-CB 4.01Å; V99-D103 HydrophobicContact CG1-CB 4.36Å; V99-V105 HydrophobicContact CB-CG1 4.43Å; V99-V105 HydrophobicContact CG1-CG1 3.9Å; V99-V105 HydrophobicContact CG2-CG1 4.13Å
100	R	83.9	Confident	89.6	Confident	38 Å²	38	22.1 Å²	22.1	14%	0.143	12%	0.122	C	C	.	.			trans	-118.1	173.1	170.1	-59	-66	179.3	-100.6	-24.9	110	N95 D103 E201 R230 E266	N95-R100 PolarHBondContact OD1-NH1 3.39Å; R100-D103 PolarHBondContact N-OD2 3.43Å; R100-D103 VanDerWaalsContact O-CB 3.3Å; R100-D103 WeakPolarHBondContact O-CB 3.04Å; R100-D103 PolarHBondContact O-N 2.62Å; R100-D103 VanDerWaalsContact O-N 3.14Å; R100-E201 IonicContact CZ-OE1 3.48Å; R100-E201 IonicContact CZ-OE2 2.82Å; R100-E201 IonicContact NE-OE1 2.74Å; R100-E201 IonicContact NE-OE2 3.43Å; R100-E201 IonicContact NH1-OE1 3.67Å; R100-E201 IonicContact NH1-OE2 2.8Å; R100-E201 PolarHBondContact NH1-OE2 2.88Å; R100-E201 IonicContact NH2-OE1 3.18Å; R100-E201 PolarHBondContact NH2-OE1 2.71Å; R100-E201 IonicContact NH2-OE2 2.61Å; R100-E201 PolarHBondContact NH2-OE2 2.88Å; R100-R230 VanDerWaalsContact CB-NH2 3.32Å; R100-E266 WeakPolarHBondContact CB-O 3.22Å; R100-E266 WeakPolarHBondContact CD-O 3.4Å; R100-E266 WeakPolarHBondContact CG-O 3.41Å
101	I	83.2	Confident	89.1	Confident	18 Å²	18	27.8 Å²	27.8	9%	0.092	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	140.5	171.1	-63	164	0	0	0	109.3	D35 D103 Y208	D35-I101 HydrophobicContact CB-CD1 3.97Å; I101-D103 PolarHBondContact O-N 3.28Å; I101-Y208 HydrophobicContact CD1-CD2 3.57Å; I101-Y208 HydrophobicContact CD1-CE2 3.97Å
102	G	79.8	Confident	89	Confident	26 Å²	26	32 Å²	32	27%	0.268	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-13	-176.3	0	0	0	0	0	115.4	V33	V33-G102 PolarHBondContact O-N 3.25Å
103	D	87.1	Confident	88.8	Confident	20 Å²	20	32.6 Å²	32.6	11%	0.107	19%	0.19	C	C	.	.			trans	-69.9	156.7	172.9	-74.9	-36.6	0	0	0	111.6	V33 K67 V99 R100 I101 R230	V33-D103 WeakPolarHBondContact CG2-O 3.38Å; V33-D103 PolarHBondContact N-O 3.28Å; K67-D103 WeakPolarHBondContact CE-OD2 3.3Å; K67-D103 IonicContact NZ-OD1 3Å; K67-D103 PolarHBondContact NZ-OD1 2.94Å; K67-D103 IonicContact NZ-OD2 2.65Å; K67-D103 PolarHBondContact NZ-OD2 3.46Å; V99-D103 HydrophobicContact CB-CB 4.01Å; V99-D103 HydrophobicContact CG1-CB 4.36Å; R100-D103 PolarHBondContact N-OD2 3.43Å; R100-D103 VanDerWaalsContact O-CB 3.3Å; R100-D103 WeakPolarHBondContact O-CB 3.04Å; R100-D103 PolarHBondContact O-N 2.62Å; R100-D103 VanDerWaalsContact O-N 3.14Å; I101-D103 PolarHBondContact O-N 3.28Å; D103-R230 VanDerWaalsContact CG-NH1 3.33Å; D103-R230 IonicContact OD1-NH1 3.55Å; D103-R230 PolarHBondContact OD1-NH1 2.57Å; D103-R230 IonicContact OD2-NH1 2.97Å; D103-R230 PolarHBondContact OD2-NH1 3.28Å
104	V	89.7	Confident	88.8	Confident	64 Å²	64	39.6 Å²	39.6	39%	0.388	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.1	177.5	-178.3	0	0	0	0	109.9	R30 L31 I32	R30-V104 HydrophobicContact CB-CG1 3.83Å; R30-V104 HydrophobicContact CG-CG1 4.4Å; L31-V104 WeakPolarHBondContact O-CA 2.82Å; I32-V104 HydrophobicContact CG1-CG2 4.4Å
105	V	93.6	Very high	89	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	161.2	172.6	-68.3	0	0	0	0	110.7	R30 L31 V33 V64 I87 L89 I97 V99	R30-V105 VanDerWaalsContact CA-O 3.3Å; R30-V105 WeakPolarHBondContact CA-O 3.44Å; L31-V105 PolarHBondContact N-O 2.89Å; L31-V105 PolarHBondContact O-N 3.47Å; V33-V105 HydrophobicContact CG2-CB 4.27Å; V33-V105 HydrophobicContact CG2-CG1 3.49Å; V33-V105 VanDerWaalsContact CG2-CG1 3.49Å; V33-V105 HydrophobicContact CG2-CG2 3.84Å; V64-V105 HydrophobicContact CG1-CB 3.89Å; V64-V105 HydrophobicContact CG1-CG1 4.2Å; V64-V105 HydrophobicContact CG1-CG2 4.09Å; I87-V105 HydrophobicContact CD1-CG2 4.47Å; I87-V105 HydrophobicContact CG2-CG2 3.55Å; L89-V105 HydrophobicContact CD1-CG1 4.44Å; I97-V105 HydrophobicContact CD1-CG1 3.79Å; V99-V105 HydrophobicContact CB-CG1 4.43Å; V99-V105 HydrophobicContact CG1-CG1 3.9Å; V99-V105 HydrophobicContact CG2-CG1 4.13Å
106	S	93.3	Very high	89.1	Confident	35 Å²	35	46.4 Å²	46.4	25%	0.245	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.4	168.1	67.5	0	0	0	0	111.2	N29 K65	N29-S106 CarbonylContact O-C 3.58Å; N29-S106 VanDerWaalsContact O-CA 3.24Å; N29-S106 WeakPolarHBondContact O-CA 3.48Å; K65-S106 WeakPolarHBondContact CB-OG 3.38Å; K65-S106 PolarHBondContact N-O 3.26Å; K65-S106 PolarHBondContact O-N 3.19Å
107	I	94.1	Very high	89.2	Confident	2 Å²	2	53 Å²	53	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.2	177.1	-168.3	175.3	0	0	0	110.8	N29 L31 I44 L46 L54 M56 A62 I63 V64 V76 I87	N29-I107 HydrophobicContact CB-CG2 4.46Å; N29-I107 WeakPolarHBondContact CB-O 3.46Å; N29-I107 PolarHBondContact ND2-O 3.29Å; N29-I107 PolarHBondContact O-N 3.43Å; L31-I107 HydrophobicContact CD1-CG2 4.04Å; I44-I107 HydrophobicContact CD1-CD1 3.54Å; L46-I107 HydrophobicContact CD1-CD1 3.83Å; L54-I107 HydrophobicContact CD1-CG2 3.64Å; M56-I107 HydrophobicContact CE-CD1 3.83Å; M56-I107 HydrophobicContact CE-CG1 3.76Å; M56-I107 HydrophobicContact CE-CG2 4.16Å; M56-I107 HydrophobicContact SD-CD1 3.95Å; A62-I107 HydrophobicContact CB-CD1 3.92Å; A62-I107 HydrophobicContact CB-CG1 3.88Å; I63-I107 CarbonylContact O-C 3.5Å; I63-I107 WeakPolarHBondContact O-CA 3.47Å; V64-I107 HydrophobicContact CG2-CG1 4.22Å; V76-I107 HydrophobicContact CG2-CD1 4.45Å; I87-I107 HydrophobicContact CD1-CD1 4.31Å
108	Q	92.1	Very high	89.2	Confident	107 Å²	107	59.2 Å²	59.2	50%	0.5	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133	173.3	178.1	178.9	0.1	0	0	109.6	A62 I63	A62-Q108 CarbonylContact C-O 3.55Å; A62-Q108 VanDerWaalsContact CA-O 3.31Å; A62-Q108 WeakPolarHBondContact CA-O 3.39Å; I63-Q108 HydrophobicContact CG2-CB 3.8Å; I63-Q108 HydrophobicContact CG2-CG 4.45Å; I63-Q108 PolarHBondContact N-O 3.06Å; I63-Q108 PolarHBondContact O-N 2.78Å
109	S	91.2	Very high	89.5	Confident	42 Å²	42	57.7 Å²	57.7	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142	175.3	-176.4	0	0	0	0	111
110	I	89.4	Confident	89.7	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.077	30%	0.304	C	S	.	.			trans	-127.5	116.6	174.2	-58	-174.3	0	0	0	108.3	T61 I63 D112 V113 Y178	T61-I110 PolarHBondContact O-N 2.91Å; T61-I110 VanDerWaalsContact O-O 3.05Å; T61-I110 PolarHBondContact OG1-O 3.19Å; I63-I110 HydrophobicContact CB-CD1 3.51Å; I63-I110 HydrophobicContact CB-CG1 4.19Å; I63-I110 HydrophobicContact CD1-CD1 4.17Å; I63-I110 HydrophobicContact CG1-CD1 4.43Å; I63-I110 HydrophobicContact CG2-CD1 3.64Å; I63-I110 HydrophobicContact CG2-CG1 3.96Å; I110-D112 WeakPolarHBondContact CG2-OD1 3.36Å; I110-V113 HydrophobicContact CB-CG2 4.09Å; I110-V113 HydrophobicContact CG2-CG2 3.51Å; I110-Y178 HydrophobicContact CD1-CE1 4.38Å; I110-Y178 HydrophobicContact CD1-CE2 4.46Å; I110-Y178 HydrophobicContact CG2-CE2 4.43Å
111	S	80.3	Confident	90.2	Very high	123 Å²	123	58.1 Å²	58.1	86%	0.86	30%	0.297	S	S	*	.	S	Bend	trans	-95.5	-11.4	-179.5	57.8	0	0	0	0	114.1
112	D	83.3	Confident	90.7	Very high	111 Å²	111	57.9 Å²	57.9	59%	0.594	30%	0.297	S	S	*	.			trans	-111.6	26.6	-170.1	69.6	-29.9	0	0	0	114.1	I110 K114	I110-D112 WeakPolarHBondContact CG2-OD1 3.36Å; D112-K114 PolarHBondContact O-N 2.96Å
113	V	87.6	Confident	91.3	Very high	20 Å²	20	57 Å²	57	12%	0.121	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.7	116	175.1	-171.2	0	0	0	0	109.8	T61 I110 Y178 I180	T61-V113 HydrophobicContact CG2-CG2 4.42Å; T61-V113 WeakPolarHBondContact OG1-CG2 3.49Å; I110-V113 HydrophobicContact CB-CG2 4.09Å; I110-V113 HydrophobicContact CG2-CG2 3.51Å; V113-Y178 HydrophobicContact CG1-CD2 4.08Å; V113-Y178 HydrophobicContact CG2-CD2 4.3Å; V113-Y178 HydrophobicContact CG2-CE2 4.14Å; V113-I180 HydrophobicContact CB-CD1 3.92Å; V113-I180 HydrophobicContact CB-CG1 4.31Å; V113-I180 HydrophobicContact CG1-CD1 3.8Å; V113-I180 HydrophobicContact CG1-CG1 3.64Å
114	K	92.6	Very high	91.4	Very high	148 Å²	148	56 Å²	56	64%	0.643	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-82.4	151.3	179.3	-65.4	177.9	-177.4	174.6	0	111.1	D112 P175 C179 I180	D112-K114 PolarHBondContact O-N 2.96Å; K114-P175 HydrophobicContact CB-CG 3.92Å; K114-P175 HydrophobicContact CD-CG 4.46Å; K114-C179 WeakPolarHBondContact O-CA 3.49Å; K114-I180 PolarHBondContact O-N 3.47Å
115	Y	93.6	Very high	91.3	Very high	150 Å²	150	55.8 Å²	55.8	59%	0.588	28%	0.277	S	S	*	.	B	Isolated β-bridge	trans	-61.6	138.4	167	-63.2	-54.8	0	0	0	111	Y148 I180 A182	Y115-Y148 HydrophobicContact CE1-CD1 4.02Å; Y115-Y148 HydrophobicContact CE1-CE1 4.23Å; Y115-I180 WeakPolarHBondContact CA-O 3.47Å; Y115-I180 HydrophobicContact CD1-CB 3.93Å; Y115-I180 HydrophobicContact CD1-CG2 3.77Å; Y115-I180 HydrophobicContact CE1-CB 4.34Å; Y115-I180 HydrophobicContact CE1-CG2 3.87Å; Y115-A182 HydrophobicContact CD1-CB 3.81Å; Y115-A182 HydrophobicContact CE1-CB 4.35Å; Y115-A182 HydrophobicContact CG-CB 4.24Å
116	G	91.9	Very high	90.9	Very high	7 Å²	7	57.9 Å²	57.9	7%	0.072	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-69.5	136.3	176.3	0	0	0	0	0	111.1	D174 I180 T185	G116-D174 CarbonylContact C-O 3.59Å; G116-D174 WeakPolarHBondContact CA-O 3.33Å; G116-I180 PolarHBondContact N-O 3.48Å; G116-T185 WeakPolarHBondContact O-CB 3.49Å; G116-T185 WeakPolarHBondContact O-CG2 3.43Å; G116-T185 PolarHBondContact O-OG1 2.75Å
117	K	93.8	Very high	90.4	Very high	149 Å²	149	56.9 Å²	56.9	65%	0.648	28%	0.281	S	S	*	.	S	Bend	trans	-80.6	-44	165.1	-65	-179.3	179.4	178.9	0	110.6	D174 V186	K117-D174 PolarHBondContact N-O 3.33Å; K117-V186 PolarHBondContact O-N 3.44Å
118	R	93.6	Very high	89.7	Confident	131 Å²	131	58.1 Å²	58.1	49%	0.494	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	148.4	179.7	55.3	179	169	163.9	5	111.9	D174 V186	R118-D174 HydrophobicContact CG-CB 3.45Å; R118-D174 VanDerWaalsContact CG-CB 3.45Å; R118-D174 IonicContact CZ-OD2 2.82Å; R118-D174 PolarHBondContact N-O 3.37Å; R118-D174 IonicContact NE-OD2 3.21Å; R118-D174 PolarHBondContact NE-OD2 2.91Å; R118-D174 IonicContact NH2-OD2 2.6Å; R118-D174 PolarHBondContact NH2-OD2 3.27Å; R118-D174 PolarHBondContact O-N 3.06Å; R118-V186 CarbonylContact C-O 3.56Å; R118-V186 WeakPolarHBondContact CA-O 3.42Å; R118-V186 HydrophobicContact CB-CB 4.38Å
119	I	95.2	Very high	88.9	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.5	169.6	64	174.4	0	0	0	109.3	V121 F144 V151 E172 T173 V181 T185 V186 I187 H188	I119-V121 HydrophobicContact CD1-CG2 3.89Å; I119-V121 HydrophobicContact CG1-CG2 4.09Å; I119-F144 HydrophobicContact CD1-CE1 4.48Å; I119-F144 HydrophobicContact CD1-CE2 4.17Å; I119-F144 HydrophobicContact CD1-CZ 4.07Å; I119-V151 HydrophobicContact CG2-CG2 4.16Å; I119-E172 WeakPolarHBondContact CA-O 3.41Å; I119-T173 HydrophobicContact CG2-CG2 4.26Å; I119-V181 HydrophobicContact CD1-CG1 4.24Å; I119-V181 HydrophobicContact CD1-CG2 3.81Å; I119-V181 HydrophobicContact CG2-CG2 4.39Å; I119-T185 HydrophobicContact CG1-CG2 4.5Å; I119-T185 HydrophobicContact CG2-CG2 4.15Å; I119-V186 PolarHBondContact N-O 3.27Å; I119-I187 HydrophobicContact CD1-CB 4.46Å; I119-I187 HydrophobicContact CD1-CD1 4.33Å; I119-I187 HydrophobicContact CD1-CG1 3.87Å; I119-I187 HydrophobicContact CD1-CG2 4.17Å; I119-I187 HydrophobicContact CG1-CB 4.16Å; I119-I187 HydrophobicContact CG1-CG1 3.89Å; I119-I187 HydrophobicContact CG1-CG2 4.08Å; I119-H188 PolarHBondContact O-N 2.78Å
120	H	94.5	Very high	87.8	Confident	47 Å²	47	59 Å²	59	22%	0.218	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.5	173.3	-173.2	-149.9	0	0	0	109.1	V171 E172 H188 D190	H120-V171 HydrophobicContact CB-CB 4.42Å; H120-V171 PolarHBondContact O-N 3.4Å; H120-E172 HydrophobicContact CB-CB 4.1Å; H120-E172 PolarHBondContact N-O 3.27Å; H120-E172 PolarHBondContact O-N 3.44Å; H120-H188 WeakPolarHBondContact CA-O 3.43Å; H120-H188 PolarHBondContact CD2-O 2.82Å; H120-D190 PolarHBondContact NE2-O 2.68Å
121	V	94.5	Very high	86.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.8	-172.4	-176.6	0	0	0	0	108.3	I119 L140 F157 F168 K169 H188 C189	I119-V121 HydrophobicContact CD1-CG2 3.89Å; I119-V121 HydrophobicContact CG1-CG2 4.09Å; V121-L140 HydrophobicContact CB-CD1 4.46Å; V121-L140 HydrophobicContact CG1-CD1 4.38Å; V121-L140 HydrophobicContact CG1-CD2 4.14Å; V121-F157 HydrophobicContact CG1-CE1 3.98Å; V121-F157 HydrophobicContact CG1-CZ 3.82Å; V121-F168 HydrophobicContact CG1-CB 3.63Å; V121-F168 HydrophobicContact CG1-CD1 3.87Å; V121-F168 HydrophobicContact CG1-CG 4.04Å; V121-K169 WeakPolarHBondContact CA-O 3.27Å; V121-H188 PolarHBondContact N-O 2.82Å; V121-C189 WeakPolarHBondContact O-CA 3.35Å
122	L	93.3	Very high	86.2	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144	177.4	-66.7	176.1	0	0	0	110.5	F168 K169 V171 I194	L122-F168 WeakPolarHBondContact O-CA 3.33Å; L122-K169 PolarHBondContact N-O 2.81Å; L122-K169 VanDerWaalsContact N-O 3.11Å; L122-K169 PolarHBondContact O-N 3.47Å; L122-V171 HydrophobicContact CB-CG2 4.12Å; L122-V171 HydrophobicContact CD1-CG2 3.81Å; L122-V171 HydrophobicContact CG-CG2 3.94Å; L122-I194 HydrophobicContact CB-CD1 3.65Å; L122-I194 HydrophobicContact CB-CG1 3.91Å; L122-I194 HydrophobicContact CD1-CD1 4.08Å; L122-I194 HydrophobicContact CD1-CG1 4.09Å; L122-I194 HydrophobicContact CG-CD1 4.45Å
123	P	91.6	Very high	85.6	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	155.2	175.9	30.4	-34.6	0	0	0	111.8	I128 L135 V166 E167 F168 P193 I194	P123-I128 HydrophobicContact CB-CD1 4.3Å; P123-I128 HydrophobicContact CB-CG2 3.53Å; P123-I128 HydrophobicContact CG-CD1 3.98Å; P123-I128 HydrophobicContact CG-CG2 4.23Å; P123-L135 HydrophobicContact CB-CD1 4.36Å; P123-L135 HydrophobicContact CG-CD1 3.96Å; P123-V166 HydrophobicContact CB-CG1 4.31Å; P123-E167 CarbonylContact C-O 3.55Å; P123-E167 WeakPolarHBondContact CA-O 3.39Å; P123-F168 HydrophobicContact CB-CD1 4.07Å; P123-F168 HydrophobicContact CB-CE1 3.94Å; P123-P193 HydrophobicContact CG-CB 4.37Å; P123-P193 HydrophobicContact CG-CG 4.46Å; P123-P193 WeakPolarHBondContact O-CA 3.27Å; P123-I194 PolarHBondContact O-N 3.18Å
124	I	90.3	Very high	85.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-82.5	130.1	167.3	-53.3	-173.5	0	0	0	109	D126 T127 T156 E167 I194 R196	I124-D126 VanDerWaalsContact C-N 3.31Å; I124-D126 WeakPolarHBondContact CG2-OD1 2.98Å; I124-D126 PolarHBondContact O-N 3.43Å; I124-T127 PolarHBondContact O-N 3.27Å; I124-T127 PolarHBondContact O-OG1 3.02Å; I124-T156 HydrophobicContact CD1-CG2 4.41Å; I124-E167 HydrophobicContact CB-CB 4.2Å; I124-E167 HydrophobicContact CD1-CB 3.64Å; I124-E167 WeakPolarHBondContact CD1-OE2 3.23Å; I124-E167 HydrophobicContact CG1-CB 3.9Å; I124-E167 PolarHBondContact N-O 3.08Å; I124-I194 WeakPolarHBondContact CA-O 3.47Å; I124-I194 WeakPolarHBondContact CG2-O 3.44Å; I124-R196 HydrophobicContact CG2-CB 3.99Å
125	D	87.6	Confident	84.7	Confident	59 Å²	59	53.3 Å²	53.3	32%	0.316	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-55.7	-40.5	-170.8	69.6	-19.8	0	0	0	114	T127 I128 P193 I194 K195	D125-T127 PolarHBondContact O-N 3.34Å; D125-I128 WeakPolarHBondContact O-CG1 3.35Å; D125-I128 PolarHBondContact O-N 3.41Å; D125-P193 HydrophobicContact CB-CB 3.76Å; D125-I194 PolarHBondContact N-O 3.47Å; D125-K195 WeakPolarHBondContact OD2-CG 3.34Å
126	D	84.1	Confident	84.3	Confident	45 Å²	45	48.6 Å²	48.6	24%	0.241	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.9	-16	-179.2	73.1	-16	0	0	0	114.3	I124 R196 R202	I124-D126 VanDerWaalsContact C-N 3.31Å; I124-D126 WeakPolarHBondContact CG2-OD1 2.98Å; I124-D126 PolarHBondContact O-N 3.43Å; D126-R196 IonicContact OD1-CZ 2.78Å; D126-R196 IonicContact OD1-NE 3.45Å; D126-R196 IonicContact OD1-NH2 3.54Å; D126-R196 PolarHBondContact OD1-NH2 3.25Å; D126-R196 IonicContact OD2-CZ 2.7Å; D126-R196 IonicContact OD2-NE 2.88Å; D126-R196 PolarHBondContact OD2-NE 3.09Å; D126-R196 VanDerWaalsContact OD2-NE 3.15Å; D126-R196 IonicContact OD2-NH2 3.62Å; D126-R196 PolarHBondContact OD2-NH2 3.05Å; D126-R202 IonicContact OD2-CZ 2.76Å; D126-R202 IonicContact OD2-NE 3.47Å; D126-R202 PolarHBondContact OD2-NE 2.88Å; D126-R202 VanDerWaalsContact OD2-NE 3.17Å; D126-R202 IonicContact OD2-NH2 3.79Å; D126-R202 PolarHBondContact OD2-NH2 3.42Å
127	T	82.9	Confident	83.9	Confident	14 Å²	14	52.2 Å²	52.2	9%	0.086	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-98.5	-11	-178.7	67.4	0	0	0	0	114.7	I124 D125 E167	I124-T127 PolarHBondContact O-N 3.27Å; I124-T127 PolarHBondContact O-OG1 3.02Å; D125-T127 PolarHBondContact O-N 3.34Å; T127-E167 HydrophobicContact CG2-CB 3.84Å; T127-E167 HydrophobicContact CG2-CG 3.88Å; T127-E167 PolarHBondContact OG1-N 3.36Å
128	I	80.1	Confident	83.4	Confident	29 Å²	29	46.6 Å²	46.6	15%	0.149	27%	0.268	C	S	.	.			trans	-109.3	6.7	-177.4	58	162.8	0	0	0	113.8	P123 D125 G130 I131 V166 P193	P123-I128 HydrophobicContact CB-CD1 4.3Å; P123-I128 HydrophobicContact CB-CG2 3.53Å; P123-I128 HydrophobicContact CG-CD1 3.98Å; P123-I128 HydrophobicContact CG-CG2 4.23Å; D125-I128 WeakPolarHBondContact O-CG1 3.35Å; D125-I128 PolarHBondContact O-N 3.41Å; I128-G130 PolarHBondContact O-N 3.15Å; I128-I131 PolarHBondContact O-N 3.09Å; I128-V166 HydrophobicContact CG2-CG1 3.6Å; I128-V166 HydrophobicContact CG2-CG2 4.5Å; I128-P193 HydrophobicContact CD1-CB 3.63Å; I128-P193 HydrophobicContact CD1-CG 3.28Å
129	V	76	Confident	83.1	Confident	110 Å²	110	40.6 Å²	40.6	67%	0.667	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	115.7	-180	-176.4	0	0	0	0	109.9	R164	V129-R164 PolarHBondContact O-NH1 2.92Å
130	G	67.7	Low	82.9	Confident	56 Å²	56	40.4 Å²	40.4	58%	0.577	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	13.8	-179.1	0	0	0	0	0	115.6	I128	I128-G130 PolarHBondContact O-N 3.15Å
131	I	70.8	Confident	82.6	Confident	32 Å²	32	45 Å²	45	16%	0.164	26%	0.26	C	S	.	.			trans	-104	127.4	168.6	-53.1	-180	0	0	0	107.9	I128 L135 F139 R164 V166	I128-I131 PolarHBondContact O-N 3.09Å; I131-L135 HydrophobicContact CG2-CD2 3.86Å; I131-F139 HydrophobicContact CD1-CZ 4.37Å; I131-F139 HydrophobicContact CG2-CE2 4.4Å; I131-R164 HydrophobicContact CD1-CB 4.27Å; I131-V166 HydrophobicContact CD1-CG2 3.61Å
132	T	65.4	Low	82.2	Confident	77 Å²	77	49.3 Å²	49.3	47%	0.472	29%	0.288	S	S	.	.			trans	-125.4	171.7	169.6	68.6	0	0	0	0	110.6	V441	T132-V441 HydrophobicContact CG2-CB 4.38Å; T132-V441 HydrophobicContact CG2-CG1 3.66Å; T132-V441 HydrophobicContact CG2-CG2 4.09Å; T132-V441 WeakPolarHBondContact OG1-CG1 3.39Å
133	G	69.9	Low	82.1	Confident	61 Å²	61	50 Å²	50	63%	0.629	29%	0.29	S	S	*	.	S	Bend	trans	96.9	-168	-178.5	0	0	0	0	0	113.1	L135	G133-L135 PolarHBondContact O-N 3.29Å; G133-L135 VanDerWaalsContact O-N 3.08Å
134	N	78.9	Confident	82.1	Confident	89 Å²	89	50.2 Å²	50.2	48%	0.476	29%	0.29	S	S	.	.			trans	-81.5	91.1	-172.6	-168.5	-12.2	0	0	0	111.1	F136 E137 V138	N134-F136 PolarHBondContact O-N 3.17Å; N134-F136 VanDerWaalsContact O-N 3.08Å; N134-F136 VanDerWaalsContact OD1-CB 3.25Å; N134-F136 WeakPolarHBondContact OD1-CB 3.46Å; N134-F136 PolarHBondContact OD1-N 3.46Å; N134-F136 VanDerWaalsContact OD1-N 3.14Å; N134-E137 HydrophobicContact CB-CB 4.43Å; N134-E137 HydrophobicContact CB-CG 4.42Å; N134-E137 PolarHBondContact O-N 3.36Å; N134-E137 VanDerWaalsContact O-N 3.15Å; N134-V138 PolarHBondContact O-N 3.04Å
135	L	83.2	Confident	81.8	Confident	39 Å²	39	52.4 Å²	52.4	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-53.7	-28.8	176.9	-64.9	176.6	0	0	0	112.8	P123 I131 G133 F139 L140	P123-L135 HydrophobicContact CB-CD1 4.36Å; P123-L135 HydrophobicContact CG-CD1 3.96Å; I131-L135 HydrophobicContact CG2-CD2 3.86Å; G133-L135 PolarHBondContact O-N 3.29Å; G133-L135 VanDerWaalsContact O-N 3.08Å; L135-F139 HydrophobicContact CD2-CD2 4.07Å; L135-F139 HydrophobicContact CD2-CE2 4.02Å; L135-F139 WeakPolarHBondContact O-CB 3.46Å; L135-F139 PolarHBondContact O-N 2.94Å; L135-L140 PolarHBondContact O-N 3.36Å
136	F	85.6	Confident	81.5	Confident	52 Å²	52	57.5 Å²	57.5	23%	0.228	34%	0.335	C	S	.	.	I	π-helix	trans	-65.4	-49.9	178.5	175.9	-97.3	0	0	0	111.9	N134 V138 L140 R141 I187	N134-F136 PolarHBondContact O-N 3.17Å; N134-F136 VanDerWaalsContact O-N 3.08Å; N134-F136 VanDerWaalsContact OD1-CB 3.25Å; N134-F136 WeakPolarHBondContact OD1-CB 3.46Å; N134-F136 PolarHBondContact OD1-N 3.46Å; N134-F136 VanDerWaalsContact OD1-N 3.14Å; F136-V138 VanDerWaalsContact C-N 3.35Å; F136-V138 PolarHBondContact O-N 2.82Å; F136-L140 HydrophobicContact CD2-CB 3.81Å; F136-L140 HydrophobicContact CD2-CD1 4.15Å; F136-L140 HydrophobicContact CE2-CB 4.29Å; F136-L140 PolarHBondContact O-N 3.23Å; F136-L140 VanDerWaalsContact O-N 3.15Å; F136-R141 HydrophobicContact CD1-CB 4.39Å; F136-R141 HydrophobicContact CE1-CB 4.01Å; F136-R141 HydrophobicContact CE1-CG 4.48Å; F136-R141 HydrophobicContact CZ-CB 4.14Å; F136-R141 WeakPolarHBondContact O-CB 3.19Å; F136-R141 PolarHBondContact O-N 3.2Å; F136-I187 HydrophobicContact CD2-CB 4.25Å; F136-I187 HydrophobicContact CD2-CG2 4.02Å; F136-I187 HydrophobicContact CE2-CB 3.64Å; F136-I187 HydrophobicContact CE2-CD1 3.9Å; F136-I187 HydrophobicContact CE2-CG1 4.24Å; F136-I187 HydrophobicContact CE2-CG2 3.84Å
137	E	83.6	Confident	81.7	Confident	82 Å²	82	57 Å²	57	38%	0.383	34%	0.337	S	S	.	.	I	π-helix	trans	-66.2	-37.8	-177.6	-73.4	-66.9	157.5	0	0	112.3	N134 R141 P142	N134-E137 HydrophobicContact CB-CB 4.43Å; N134-E137 HydrophobicContact CB-CG 4.42Å; N134-E137 PolarHBondContact O-N 3.36Å; N134-E137 VanDerWaalsContact O-N 3.15Å; E137-R141 IonicContact OE1-NH1 3.61Å; E137-R141 WeakPolarHBondContact OE2-CD 3.47Å; E137-R141 IonicContact OE2-CZ 3.96Å; E137-R141 IonicContact OE2-NE 2.72Å; E137-R141 IonicContact OE2-NH1 2.88Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; E137-P142 WeakPolarHBondContact O-CD 3.33Å
138	V	82.5	Confident	82.1	Confident	32 Å²	32	61.8 Å²	61.8	19%	0.194	35%	0.354	C	S	.	.	I	π-helix	trans	-80.4	-43	-174.1	-178.4	0	0	0	0	112	N134 F136 A162 A444	N134-V138 PolarHBondContact O-N 3.04Å; F136-V138 VanDerWaalsContact C-N 3.35Å; F136-V138 PolarHBondContact O-N 2.82Å; V138-A162 HydrophobicContact CG1-CB 4.2Å; V138-A444 HydrophobicContact CG2-CB 3.59Å
139	F	87.2	Confident	82.7	Confident	4 Å²	4	62 Å²	62	2%	0.018	35%	0.353	C	S	.	.	I	π-helix	trans	-110.9	-56.7	-171.6	-61.9	-85.2	0	0	0	112.1	I131 L135 Y143 V159 G161 V166 F168	I131-F139 HydrophobicContact CD1-CZ 4.37Å; I131-F139 HydrophobicContact CG2-CE2 4.4Å; L135-F139 HydrophobicContact CD2-CD2 4.07Å; L135-F139 HydrophobicContact CD2-CE2 4.02Å; L135-F139 WeakPolarHBondContact O-CB 3.46Å; L135-F139 PolarHBondContact O-N 2.94Å; F139-Y143 WeakPolarHBondContact O-CB 3.16Å; F139-Y143 PolarHBondContact O-N 3.45Å; F139-V159 HydrophobicContact CB-CB 4.22Å; F139-V159 HydrophobicContact CB-CG1 3.94Å; F139-V159 HydrophobicContact CD1-CB 4.24Å; F139-V159 HydrophobicContact CD1-CG1 4.06Å; F139-V159 WeakPolarHBondContact O-CG1 3.3Å; F139-G161 WeakPolarHBondContact CE1-O 3.48Å; F139-V166 HydrophobicContact CD1-CB 4.44Å; F139-V166 HydrophobicContact CD1-CG2 4.24Å; F139-V166 HydrophobicContact CE1-CB 4.38Å; F139-V166 HydrophobicContact CE1-CG2 3.74Å; F139-V166 HydrophobicContact CE2-CG2 4.11Å; F139-V166 HydrophobicContact CZ-CG2 3.68Å; F139-F168 HydrophobicContact CB-CE2 3.85Å; F139-F168 HydrophobicContact CB-CZ 3.94Å; F139-F168 HydrophobicContact CG-CE2 4.32Å; F139-F168 HydrophobicContact CG-CZ 4.34Å
140	L	90.5	Very high	83.6	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-73.4	-39.2	-167.9	-58.7	178.5	0	0	0	113	V121 L135 F136 Y143 F144 F157 F168 I187 C189	V121-L140 HydrophobicContact CB-CD1 4.46Å; V121-L140 HydrophobicContact CG1-CD1 4.38Å; V121-L140 HydrophobicContact CG1-CD2 4.14Å; L135-L140 PolarHBondContact O-N 3.36Å; F136-L140 HydrophobicContact CD2-CB 3.81Å; F136-L140 HydrophobicContact CD2-CD1 4.15Å; F136-L140 HydrophobicContact CE2-CB 4.29Å; F136-L140 PolarHBondContact O-N 3.23Å; F136-L140 VanDerWaalsContact O-N 3.15Å; L140-Y143 PolarHBondContact O-N 3.04Å; L140-F144 HydrophobicContact CB-CD2 4.35Å; L140-F144 HydrophobicContact CD2-CE2 4.17Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 3.44Å; L140-F157 HydrophobicContact CD2-CE2 4.17Å; L140-F157 HydrophobicContact CD2-CZ 4.01Å; L140-F168 HydrophobicContact CD1-CE1 4.45Å; L140-F168 HydrophobicContact CD2-CD1 4Å; L140-F168 HydrophobicContact CD2-CD2 3.93Å; L140-F168 HydrophobicContact CD2-CE1 4.01Å; L140-F168 HydrophobicContact CD2-CE2 3.94Å; L140-F168 HydrophobicContact CD2-CG 3.96Å; L140-F168 HydrophobicContact CD2-CZ 3.97Å; L140-F168 HydrophobicContact CG-CE1 4.33Å; L140-F168 HydrophobicContact CG-CZ 4.29Å; L140-I187 HydrophobicContact CD1-CG2 4.19Å; L140-C189 HydrophobicContact CD1-CB 4.02Å
141	R	88	Confident	84.9	Confident	144 Å²	144	54.7 Å²	54.7	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-49.6	-178.1	179	-176.7	-171.4	-168.5	1.2	112	F136 E137 Y143 G145	F136-R141 HydrophobicContact CD1-CB 4.39Å; F136-R141 HydrophobicContact CE1-CB 4.01Å; F136-R141 HydrophobicContact CE1-CG 4.48Å; F136-R141 HydrophobicContact CZ-CB 4.14Å; F136-R141 WeakPolarHBondContact O-CB 3.19Å; F136-R141 PolarHBondContact O-N 3.2Å; E137-R141 IonicContact OE1-NH1 3.61Å; E137-R141 WeakPolarHBondContact OE2-CD 3.47Å; E137-R141 IonicContact OE2-CZ 3.96Å; E137-R141 IonicContact OE2-NE 2.72Å; E137-R141 IonicContact OE2-NH1 2.88Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; R141-Y143 VanDerWaalsContact C-N 3.29Å; R141-Y143 PolarHBondContact O-N 3.44Å; R141-G145 WeakPolarHBondContact O-CA 3.33Å; R141-G145 PolarHBondContact O-N 2.82Å
142	P	87.5	Confident	86	Confident	90 Å²	90	55.4 Å²	55.4	58%	0.584	30%	0.298	S	S	*	.	H	α-helix	trans	-62	-36.5	172.7	-23.9	34.6	0	0	0	112.9	E137	E137-P142 WeakPolarHBondContact O-CD 3.33Å
143	Y	90.3	Very high	87.4	Confident	29 Å²	29	56.1 Å²	56.1	11%	0.114	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-41.8	-176.7	-179.2	-105.2	0	0	0	113.6	N41 F139 L140 R141 R149 F157 V159	N41-Y143 HydrophobicContact CB-CE2 4.49Å; N41-Y143 WeakPolarHBondContact CB-OH 3.29Å; N41-Y143 WeakPolarHBondContact ND2-CE2 3.41Å; N41-Y143 PolarHBondContact ND2-OH 3.39Å; F139-Y143 WeakPolarHBondContact O-CB 3.16Å; F139-Y143 PolarHBondContact O-N 3.45Å; L140-Y143 PolarHBondContact O-N 3.04Å; R141-Y143 VanDerWaalsContact C-N 3.29Å; R141-Y143 PolarHBondContact O-N 3.44Å; Y143-R149 WeakPolarHBondContact O-CD 3.35Å; Y143-R149 PolarHBondContact O-NE 3.26Å; Y143-F157 HydrophobicContact CD1-CD2 4.05Å; Y143-F157 AromaticContact CD1-CE2 3.65Å; Y143-F157 HydrophobicContact CD1-CE2 3.65Å; Y143-F157 HydrophobicContact CD1-CZ 4.48Å; Y143-F157 AromaticContact CE1-CD2 3.39Å; Y143-F157 HydrophobicContact CE1-CD2 3.39Å; Y143-F157 AromaticContact CE1-CE2 3.39Å; Y143-F157 HydrophobicContact CE1-CE2 3.39Å; Y143-F157 HydrophobicContact CE1-CG 4.19Å; Y143-F157 HydrophobicContact CE1-CZ 4.21Å; Y143-F157 HydrophobicContact CE2-CD2 4.34Å; Y143-F157 HydrophobicContact CG-CE2 4.46Å; Y143-F157 AromaticContact CZ-CD2 3.55Å; Y143-V159 HydrophobicContact CD1-CG2 4.12Å; Y143-V159 HydrophobicContact CD2-CG1 4.31Å; Y143-V159 HydrophobicContact CD2-CG2 3.77Å; Y143-V159 HydrophobicContact CE2-CG2 4.23Å; Y143-V159 HydrophobicContact CG-CG1 4.4Å; Y143-V159 HydrophobicContact CG-CG2 3.7Å
144	F	92	Very high	88.5	Confident	9 Å²	9	54.6 Å²	54.6	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-93.2	-14.8	180	-69.4	-65.4	0	0	0	114	I119 L140 E146 A147 R149 V151 F157 V181 I187	I119-F144 HydrophobicContact CD1-CE1 4.48Å; I119-F144 HydrophobicContact CD1-CE2 4.17Å; I119-F144 HydrophobicContact CD1-CZ 4.07Å; L140-F144 HydrophobicContact CB-CD2 4.35Å; L140-F144 HydrophobicContact CD2-CE2 4.17Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 3.44Å; F144-E146 PolarHBondContact O-N 2.82Å; F144-E146 VanDerWaalsContact O-N 3.14Å; F144-A147 PolarHBondContact O-N 3.27Å; F144-R149 HydrophobicContact CD1-CB 4.31Å; F144-R149 HydrophobicContact CE1-CB 4.42Å; F144-V151 HydrophobicContact CE1-CG1 3.86Å; F144-V151 HydrophobicContact CZ-CG1 4.38Å; F144-F157 HydrophobicContact CE2-CE2 4.38Å; F144-F157 AromaticContact CE2-CZ 3.98Å; F144-F157 HydrophobicContact CE2-CZ 3.98Å; F144-F157 HydrophobicContact CZ-CE1 4.33Å; F144-F157 HydrophobicContact CZ-CE2 4.23Å; F144-F157 AromaticContact CZ-CZ 3.77Å; F144-F157 HydrophobicContact CZ-CZ 3.77Å; F144-V181 HydrophobicContact CB-CG1 4Å; F144-V181 HydrophobicContact CD1-CB 3.82Å; F144-V181 HydrophobicContact CD1-CG1 3.72Å; F144-V181 HydrophobicContact CD1-CG2 3.89Å; F144-V181 HydrophobicContact CE1-CB 4.26Å; F144-V181 HydrophobicContact CE1-CG1 4.39Å; F144-V181 HydrophobicContact CE1-CG2 3.81Å; F144-V181 HydrophobicContact CG-CG1 3.93Å; F144-I187 HydrophobicContact CB-CD1 3.94Å; F144-I187 HydrophobicContact CD2-CD1 3.61Å; F144-I187 HydrophobicContact CE2-CD1 4.38Å; F144-I187 HydrophobicContact CG-CD1 3.96Å
145	G	84.3	Confident	89.2	Confident	47 Å²	47	51 Å²	51	49%	0.485	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	115.5	-178	0	0	0	0	0	112.4	R141 A147	R141-G145 WeakPolarHBondContact O-CA 3.33Å; R141-G145 PolarHBondContact O-N 2.82Å; G145-A147 PolarHBondContact O-N 2.97Å
146	E	81.9	Confident	89.7	Confident	166 Å²	166	49.6 Å²	49.6	78%	0.776	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	13.7	177.2	-57.3	-172.2	167.3	0	0	116	F144 Y148	F144-E146 PolarHBondContact O-N 2.82Å; F144-E146 VanDerWaalsContact O-N 3.14Å; E146-Y148 WeakPolarHBondContact O-CD2 3.48Å
147	A	86.4	Confident	90	Very high	34 Å²	34	47.6 Å²	47.6	28%	0.281	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.7	-172.8	0	0	0	0	0	113.7	F144 G145 R149	F144-A147 PolarHBondContact O-N 3.27Å; G145-A147 PolarHBondContact O-N 2.97Å; A147-R149 HydrophobicContact CB-CG 3.7Å; A147-R149 PolarHBondContact O-N 2.89Å; A147-R149 VanDerWaalsContact O-N 3.16Å
148	Y	92.1	Very high	90.3	Very high	115 Å²	115	44.8 Å²	44.8	45%	0.451	23%	0.233	S	C	.	.			trans	49.6	40.5	-179.1	-65.9	-88.8	0	0	0	113.3	Y115 E146 I180 V181 A182	Y115-Y148 HydrophobicContact CE1-CD1 4.02Å; Y115-Y148 HydrophobicContact CE1-CE1 4.23Å; E146-Y148 WeakPolarHBondContact O-CD2 3.48Å; Y148-I180 HydrophobicContact CD1-CG2 4.2Å; Y148-I180 WeakPolarHBondContact O-CG2 3.37Å; Y148-V181 WeakPolarHBondContact CA-O 3.46Å; Y148-A182 HydrophobicContact CD1-CB 4.4Å; Y148-A182 HydrophobicContact CE1-CB 4.2Å
149	R	93.1	Very high	90.6	Very high	34 Å²	34	43.7 Å²	43.7	13%	0.128	23%	0.226	C	C	.	.			trans	-69.2	127	-172.7	-66.3	179.8	176.8	-71.5	-7.9	110.9	D40 Y143 F144 A147 V181	D40-R149 VanDerWaalsContact CG-NH1 3.27Å; D40-R149 IonicContact OD1-CZ 3.62Å; D40-R149 IonicContact OD1-NH1 3.56Å; D40-R149 PolarHBondContact OD1-NH1 3.15Å; D40-R149 IonicContact OD1-NH2 3.62Å; D40-R149 IonicContact OD2-CZ 2.84Å; D40-R149 IonicContact OD2-NH1 2.83Å; D40-R149 PolarHBondContact OD2-NH1 2.72Å; D40-R149 VanDerWaalsContact OD2-NH1 3.1Å; D40-R149 IonicContact OD2-NH2 3.57Å; D40-R149 PolarHBondContact OD2-NH2 2.96Å; Y143-R149 WeakPolarHBondContact O-CD 3.35Å; Y143-R149 PolarHBondContact O-NE 3.26Å; F144-R149 HydrophobicContact CD1-CB 4.31Å; F144-R149 HydrophobicContact CE1-CB 4.42Å; A147-R149 HydrophobicContact CB-CG 3.7Å; A147-R149 PolarHBondContact O-N 2.89Å; A147-R149 VanDerWaalsContact O-N 3.16Å; R149-V181 PolarHBondContact O-N 2.95Å
150	P	94.4	Very high	90.4	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.8	167.7	29.4	-33.6	0	0	0	109.7	T61 V73 I75	T61-P150 HydrophobicContact CG2-CB 4.46Å; V73-P150 HydrophobicContact CB-CB 4.06Å; V73-P150 HydrophobicContact CG1-CB 3.62Å; V73-P150 HydrophobicContact CG1-CG 4.35Å; I75-P150 HydrophobicContact CD1-CG 4.46Å; I75-P150 HydrophobicContact CG1-CG 3.8Å
151	V	94.8	Very high	89.6	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.6	179.5	-66.8	0	0	0	0	110.4	I119 F144 I170 T173 Y178 C179 V181	I119-V151 HydrophobicContact CG2-CG2 4.16Å; F144-V151 HydrophobicContact CE1-CG1 3.86Å; F144-V151 HydrophobicContact CZ-CG1 4.38Å; V151-I170 HydrophobicContact CB-CD1 3.63Å; V151-I170 HydrophobicContact CG1-CD1 3.9Å; V151-T173 HydrophobicContact CG2-CG2 4.24Å; V151-Y178 WeakPolarHBondContact O-CA 3.45Å; V151-Y178 VanDerWaalsContact O-CB 3.24Å; V151-Y178 WeakPolarHBondContact O-CB 3.21Å; V151-C179 WeakPolarHBondContact CG2-O 3.36Å; V151-C179 PolarHBondContact N-O 3.42Å; V151-C179 PolarHBondContact O-N 2.99Å; V151-V181 HydrophobicContact CB-CG2 4.32Å; V151-V181 HydrophobicContact CG1-CG2 3.78Å; V151-V181 HydrophobicContact CG2-CG2 3.55Å
152	R	94.9	Very high	88.7	Confident	47 Å²	47	41 Å²	41	18%	0.177	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.8	178.4	-171.6	-171.8	175.6	-70.6	-0.9	110.8	D71 V73 G154 D155	D71-R152 WeakPolarHBondContact O-CD 3.4Å; D71-R152 PolarHBondContact O-NE 3.15Å; D71-R152 IonicContact OD1-CZ 3.84Å; D71-R152 IonicContact OD1-NE 3.99Å; D71-R152 PolarHBondContact OD1-NE 3.11Å; D71-R152 IonicContact OD1-NH2 2.75Å; D71-R152 PolarHBondContact OD1-NH2 3.04Å; V73-R152 HydrophobicContact CG2-CB 4.49Å; R152-G154 PolarHBondContact O-N 3.09Å; R152-D155 WeakPolarHBondContact CB-OD2 3.45Å; R152-D155 WeakPolarHBondContact O-CB 3.45Å; R152-D155 PolarHBondContact O-N 3.3Å
153	K	94.7	Very high	87.8	Confident	91 Å²	91	39.4 Å²	39.4	40%	0.396	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	124.4	175.2	-180	171.5	178.6	161.7	0	111.2	V171 P177	K153-V171 WeakPolarHBondContact CE-O 3.06Å; K153-V171 WeakPolarHBondContact CG-O 3.45Å; K153-P177 PolarHBondContact N-O 3.34Å
154	G	91.9	Very high	87	Confident	30 Å²	30	43.2 Å²	43.2	31%	0.309	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-3.2	178	0	0	0	0	0	115.1	R152 I170	R152-G154 PolarHBondContact O-N 3.09Å; G154-I170 WeakPolarHBondContact CA-O 3.43Å; G154-I170 PolarHBondContact N-O 2.7Å
155	D	94	Very high	86.6	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.07	24%	0.236	C	C	.	.			trans	-75.9	146.2	175.9	-72.1	7.6	0	0	0	110.5	T72 R152 I170	T72-D155 WeakPolarHBondContact CB-OD2 3.47Å; T72-D155 PolarHBondContact OG1-OD2 3.31Å; R152-D155 WeakPolarHBondContact CB-OD2 3.45Å; R152-D155 WeakPolarHBondContact O-CB 3.45Å; R152-D155 PolarHBondContact O-N 3.3Å; D155-I170 HydrophobicContact CB-CD1 4.1Å; D155-I170 PolarHBondContact O-N 3.06Å
156	T	93.1	Very high	86.8	Confident	10 Å²	10	41.7 Å²	41.7	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150.6	169.3	60.7	0	0	0	0	110.5	V92 N96 I124 F168 K169	V92-T156 WeakPolarHBondContact CG1-O 3.24Å; N96-T156 PolarHBondContact ND2-O 3.45Å; N96-T156 PolarHBondContact OD1-N 3.48Å; N96-T156 PolarHBondContact OD1-O 3.03Å; N96-T156 PolarHBondContact OD1-OG1 3.04Å; I124-T156 HydrophobicContact CD1-CG2 4.41Å; T156-F168 CarbonylContact C-O 3.52Å; T156-F168 WeakPolarHBondContact CA-O 3.49Å; T156-K169 HydrophobicContact CG2-CB 4.07Å; T156-K169 HydrophobicContact CG2-CD 4.1Å; T156-K169 HydrophobicContact CG2-CG 3.99Å
157	F	93.1	Very high	87.2	Confident	9 Å²	9	33.8 Å²	33.8	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.8	175.5	64.9	-84.5	0	0	0	110.7	V92 V121 L140 Y143 F144 V159 E167 F168 I170	V92-F157 HydrophobicContact CG1-CB 4.22Å; V121-F157 HydrophobicContact CG1-CE1 3.98Å; V121-F157 HydrophobicContact CG1-CZ 3.82Å; L140-F157 HydrophobicContact CD2-CE2 4.17Å; L140-F157 HydrophobicContact CD2-CZ 4.01Å; Y143-F157 HydrophobicContact CD1-CD2 4.05Å; Y143-F157 AromaticContact CD1-CE2 3.65Å; Y143-F157 HydrophobicContact CD1-CE2 3.65Å; Y143-F157 HydrophobicContact CD1-CZ 4.48Å; Y143-F157 AromaticContact CE1-CD2 3.39Å; Y143-F157 HydrophobicContact CE1-CD2 3.39Å; Y143-F157 AromaticContact CE1-CE2 3.39Å; Y143-F157 HydrophobicContact CE1-CE2 3.39Å; Y143-F157 HydrophobicContact CE1-CG 4.19Å; Y143-F157 HydrophobicContact CE1-CZ 4.21Å; Y143-F157 HydrophobicContact CE2-CD2 4.34Å; Y143-F157 HydrophobicContact CG-CE2 4.46Å; Y143-F157 AromaticContact CZ-CD2 3.55Å; F144-F157 HydrophobicContact CE2-CE2 4.38Å; F144-F157 AromaticContact CE2-CZ 3.98Å; F144-F157 HydrophobicContact CE2-CZ 3.98Å; F144-F157 HydrophobicContact CZ-CE1 4.33Å; F144-F157 HydrophobicContact CZ-CE2 4.23Å; F144-F157 AromaticContact CZ-CZ 3.77Å; F144-F157 HydrophobicContact CZ-CZ 3.77Å; F157-V159 HydrophobicContact CD2-CG2 3.7Å; F157-V159 HydrophobicContact CE2-CG2 3.54Å; F157-E167 WeakPolarHBondContact O-CA 3.25Å; F157-F168 HydrophobicContact CD1-CB 4.18Å; F157-F168 HydrophobicContact CD2-CB 4.36Å; F157-F168 HydrophobicContact CE1-CB 3.62Å; F157-F168 HydrophobicContact CE2-CB 3.84Å; F157-F168 HydrophobicContact CE2-CD2 4.03Å; F157-F168 HydrophobicContact CE2-CG 4.25Å; F157-F168 HydrophobicContact CZ-CB 3.45Å; F157-F168 VanDerWaalsContact CZ-CB 3.45Å; F157-F168 HydrophobicContact CZ-CD2 4.35Å; F157-F168 HydrophobicContact CZ-CG 4.11Å; F157-F168 PolarHBondContact N-O 2.97Å; F157-F168 PolarHBondContact O-N 3.04Å; F157-I170 HydrophobicContact CD1-CD1 4.16Å; F157-I170 HydrophobicContact CD1-CG1 4.2Å; F157-I170 HydrophobicContact CE1-CD1 4.21Å; F157-I170 HydrophobicContact CE1-CG1 3.84Å
158	T	90.5	Very high	87.6	Confident	23 Å²	23	32.3 Å²	32.3	14%	0.141	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.3	-179.7	42.3	0	0	0	0	110.7	N41 V92 T165 V166 E167 L203	N41-T158 PolarHBondContact ND2-O 3.36Å; V92-T158 WeakPolarHBondContact CG2-OG1 3.37Å; T158-T165 HydrophobicContact CG2-CG2 4.01Å; T158-V166 WeakPolarHBondContact CA-O 3.33Å; T158-E167 HydrophobicContact CG2-CG 3.66Å; T158-L203 HydrophobicContact CG2-CB 4.05Å; T158-L203 HydrophobicContact CG2-CD1 3.61Å; T158-L203 HydrophobicContact CG2-CG 4.39Å
159	V	89.1	Confident	87.6	Confident	10 Å²	10	27.9 Å²	27.9	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	171	-171.7	0	0	0	0	109.1	F139 Y143 F157 T165 V166 F168	F139-V159 HydrophobicContact CB-CB 4.22Å; F139-V159 HydrophobicContact CB-CG1 3.94Å; F139-V159 HydrophobicContact CD1-CB 4.24Å; F139-V159 HydrophobicContact CD1-CG1 4.06Å; F139-V159 WeakPolarHBondContact O-CG1 3.3Å; Y143-V159 HydrophobicContact CD1-CG2 4.12Å; Y143-V159 HydrophobicContact CD2-CG1 4.31Å; Y143-V159 HydrophobicContact CD2-CG2 3.77Å; Y143-V159 HydrophobicContact CE2-CG2 4.23Å; Y143-V159 HydrophobicContact CG-CG1 4.4Å; Y143-V159 HydrophobicContact CG-CG2 3.7Å; F157-V159 HydrophobicContact CD2-CG2 3.7Å; F157-V159 HydrophobicContact CE2-CG2 3.54Å; V159-T165 WeakPolarHBondContact O-CA 3.18Å; V159-V166 PolarHBondContact N-O 3.02Å; V159-V166 PolarHBondContact O-N 2.83Å; V159-F168 HydrophobicContact CB-CD2 4.43Å; V159-F168 HydrophobicContact CB-CE2 4.2Å; V159-F168 HydrophobicContact CG2-CD2 3.97Å; V159-F168 HydrophobicContact CG2-CE2 4.13Å
160	T	82.6	Confident	87.7	Confident	58 Å²	58	26.4 Å²	26.4	36%	0.356	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.5	178.3	-56.9	0	0	0	0	109.7	R164 T165 R392	T160-R164 WeakPolarHBondContact CA-O 3.39Å; T160-T165 PolarHBondContact OG1-OG1 2.82Å; T160-R392 HydrophobicContact CG2-CB 4.17Å; T160-R392 HydrophobicContact CG2-CG 4.18Å
161	G	73.9	Confident	87.7	Confident	17 Å²	17	28.7 Å²	28.7	18%	0.175	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	154.6	-178.1	0	0	0	0	0	110.4	F139 M163 R164	F139-G161 WeakPolarHBondContact CE1-O 3.48Å; G161-M163 VanDerWaalsContact C-N 3.28Å; G161-M163 PolarHBondContact O-N 2.58Å; G161-R164 PolarHBondContact N-O 2.95Å; G161-R164 CarbonylContact O-C 3.47Å; G161-R164 PolarHBondContact O-N 3.22Å
162	A	69.2	Low	87.7	Confident	17 Å²	17	33.2 Å²	33.2	14%	0.14	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.3	179.3	0	0	0	0	0	114.1	V138 R164 L447	V138-A162 HydrophobicContact CG1-CB 4.2Å; A162-R164 PolarHBondContact O-N 3.3Å; A162-R164 VanDerWaalsContact O-N 3.11Å; A162-L447 HydrophobicContact CB-CB 3.88Å; A162-L447 HydrophobicContact CB-CD1 4.35Å
163	M	67.4	Low	87.6	Confident	56 Å²	56	31.2 Å²	31.2	28%	0.276	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	13.1	-176.8	-57.1	-174.2	-178.8	0	0	115.9	G161 R392 L450	G161-M163 VanDerWaalsContact C-N 3.28Å; G161-M163 PolarHBondContact O-N 2.58Å; M163-R392 VanDerWaalsContact CA-O 3.31Å; M163-R392 WeakPolarHBondContact CA-O 3.37Å; M163-L450 HydrophobicContact CE-CB 3.69Å; M163-L450 HydrophobicContact CE-CD1 4.3Å
164	R	74.3	Confident	87.6	Confident	109 Å²	109	29 Å²	29	41%	0.411	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.9	-179.6	-65.9	-171.9	179.5	-161.2	4.2	111.5	V129 I131 T160 G161 A162	V129-R164 PolarHBondContact O-NH1 2.92Å; I131-R164 HydrophobicContact CD1-CB 4.27Å; T160-R164 WeakPolarHBondContact CA-O 3.39Å; G161-R164 PolarHBondContact N-O 2.95Å; G161-R164 CarbonylContact O-C 3.47Å; G161-R164 PolarHBondContact O-N 3.22Å; A162-R164 PolarHBondContact O-N 3.3Å; A162-R164 VanDerWaalsContact O-N 3.11Å
165	T	83.2	Confident	87.7	Confident	23 Å²	23	29.3 Å²	29.3	14%	0.141	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127	171.2	-59.4	0	0	0	0	107.9	T158 V159 T160	T158-T165 HydrophobicContact CG2-CG2 4.01Å; V159-T165 WeakPolarHBondContact O-CA 3.18Å; T160-T165 PolarHBondContact OG1-OG1 2.82Å
166	V	87.7	Confident	87.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	-179.5	-179.5	0	0	0	0	108.6	P123 I128 I131 F139 T158 V159 F168	P123-V166 HydrophobicContact CB-CG1 4.31Å; I128-V166 HydrophobicContact CG2-CG1 3.6Å; I128-V166 HydrophobicContact CG2-CG2 4.5Å; I131-V166 HydrophobicContact CD1-CG2 3.61Å; F139-V166 HydrophobicContact CD1-CB 4.44Å; F139-V166 HydrophobicContact CD1-CG2 4.24Å; F139-V166 HydrophobicContact CE1-CB 4.38Å; F139-V166 HydrophobicContact CE1-CG2 3.74Å; F139-V166 HydrophobicContact CE2-CG2 4.11Å; F139-V166 HydrophobicContact CZ-CG2 3.68Å; T158-V166 WeakPolarHBondContact CA-O 3.33Å; V159-V166 PolarHBondContact N-O 3.02Å; V159-V166 PolarHBondContact O-N 2.83Å; V166-F168 HydrophobicContact CB-CD2 4.47Å; V166-F168 HydrophobicContact CB-CE2 3.78Å; V166-F168 HydrophobicContact CB-CZ 4.13Å; V166-F168 HydrophobicContact CG1-CD2 4.13Å; V166-F168 HydrophobicContact CG1-CE1 4.11Å; V166-F168 HydrophobicContact CG1-CE2 3.56Å; V166-F168 HydrophobicContact CG1-CZ 3.56Å
167	E	91.1	Very high	87.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.2	173.2	-69.6	-173.3	-137.2	0	0	110.1	P123 I124 T127 F157 T158 R196 L203	P123-E167 CarbonylContact C-O 3.55Å; P123-E167 WeakPolarHBondContact CA-O 3.39Å; I124-E167 HydrophobicContact CB-CB 4.2Å; I124-E167 HydrophobicContact CD1-CB 3.64Å; I124-E167 WeakPolarHBondContact CD1-OE2 3.23Å; I124-E167 HydrophobicContact CG1-CB 3.9Å; I124-E167 PolarHBondContact N-O 3.08Å; T127-E167 HydrophobicContact CG2-CB 3.84Å; T127-E167 HydrophobicContact CG2-CG 3.88Å; T127-E167 PolarHBondContact OG1-N 3.36Å; F157-E167 WeakPolarHBondContact O-CA 3.25Å; T158-E167 HydrophobicContact CG2-CG 3.66Å; E167-R196 VanDerWaalsContact CD-NH1 3.28Å; E167-R196 IonicContact OE1-CZ 2.82Å; E167-R196 IonicContact OE1-NH1 2.71Å; E167-R196 PolarHBondContact OE1-NH1 3.38Å; E167-R196 IonicContact OE1-NH2 3.76Å; E167-R196 PolarHBondContact OE1-NH2 3.18Å; E167-R196 IonicContact OE2-CZ 3.72Å; E167-R196 IonicContact OE2-NH1 3.1Å; E167-R196 PolarHBondContact OE2-NH1 3.33Å; E167-R196 IonicContact OE2-NH2 3.9Å; E167-R196 PolarHBondContact OE2-NH2 3.1Å; E167-L203 HydrophobicContact CG-CD1 4.11Å; E167-L203 WeakPolarHBondContact OE1-CB 3.19Å; E167-L203 PolarHBondContact OE1-N 3.16Å
168	F	93.8	Very high	87.5	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.3	176.9	-68.4	-81.4	0	0	0	110.3	V121 L122 P123 F139 L140 T156 F157 V159 V166	V121-F168 HydrophobicContact CG1-CB 3.63Å; V121-F168 HydrophobicContact CG1-CD1 3.87Å; V121-F168 HydrophobicContact CG1-CG 4.04Å; L122-F168 WeakPolarHBondContact O-CA 3.33Å; P123-F168 HydrophobicContact CB-CD1 4.07Å; P123-F168 HydrophobicContact CB-CE1 3.94Å; F139-F168 HydrophobicContact CB-CE2 3.85Å; F139-F168 HydrophobicContact CB-CZ 3.94Å; F139-F168 HydrophobicContact CG-CE2 4.32Å; F139-F168 HydrophobicContact CG-CZ 4.34Å; L140-F168 HydrophobicContact CD1-CE1 4.45Å; L140-F168 HydrophobicContact CD2-CD1 4Å; L140-F168 HydrophobicContact CD2-CD2 3.93Å; L140-F168 HydrophobicContact CD2-CE1 4.01Å; L140-F168 HydrophobicContact CD2-CE2 3.94Å; L140-F168 HydrophobicContact CD2-CG 3.96Å; L140-F168 HydrophobicContact CD2-CZ 3.97Å; L140-F168 HydrophobicContact CG-CE1 4.33Å; L140-F168 HydrophobicContact CG-CZ 4.29Å; T156-F168 CarbonylContact C-O 3.52Å; T156-F168 WeakPolarHBondContact CA-O 3.49Å; F157-F168 HydrophobicContact CD1-CB 4.18Å; F157-F168 HydrophobicContact CD2-CB 4.36Å; F157-F168 HydrophobicContact CE1-CB 3.62Å; F157-F168 HydrophobicContact CE2-CB 3.84Å; F157-F168 HydrophobicContact CE2-CD2 4.03Å; F157-F168 HydrophobicContact CE2-CG 4.25Å; F157-F168 HydrophobicContact CZ-CB 3.45Å; F157-F168 VanDerWaalsContact CZ-CB 3.45Å; F157-F168 HydrophobicContact CZ-CD2 4.35Å; F157-F168 HydrophobicContact CZ-CG 4.11Å; F157-F168 PolarHBondContact N-O 2.97Å; F157-F168 PolarHBondContact O-N 3.04Å; V159-F168 HydrophobicContact CB-CD2 4.43Å; V159-F168 HydrophobicContact CB-CE2 4.2Å; V159-F168 HydrophobicContact CG2-CD2 3.97Å; V159-F168 HydrophobicContact CG2-CE2 4.13Å; V166-F168 HydrophobicContact CB-CD2 4.47Å; V166-F168 HydrophobicContact CB-CE2 3.78Å; V166-F168 HydrophobicContact CB-CZ 4.13Å; V166-F168 HydrophobicContact CG1-CD2 4.13Å; V166-F168 HydrophobicContact CG1-CE1 4.11Å; V166-F168 HydrophobicContact CG1-CE2 3.56Å; V166-F168 HydrophobicContact CG1-CZ 3.56Å
169	K	93.8	Very high	87.7	Confident	22 Å²	22	35.8 Å²	35.8	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	175.3	-171.3	163.4	179.4	163.9	0	110	V121 L122 T156 V171 I194 E197 E200	V121-K169 WeakPolarHBondContact CA-O 3.27Å; L122-K169 PolarHBondContact N-O 2.81Å; L122-K169 VanDerWaalsContact N-O 3.11Å; L122-K169 PolarHBondContact O-N 3.47Å; T156-K169 HydrophobicContact CG2-CB 4.07Å; T156-K169 HydrophobicContact CG2-CD 4.1Å; T156-K169 HydrophobicContact CG2-CG 3.99Å; K169-V171 PolarHBondContact O-N 2.72Å; K169-I194 HydrophobicContact CB-CD1 4.04Å; K169-I194 HydrophobicContact CD-CD1 4.3Å; K169-I194 HydrophobicContact CG-CD1 4.42Å; K169-E197 IonicContact NZ-OE1 3.58Å; K169-E197 PolarHBondContact NZ-OE1 2.82Å; K169-E200 IonicContact NZ-OE1 3.83Å; K169-E200 PolarHBondContact NZ-OE1 2.84Å; K169-E200 IonicContact NZ-OE2 3.9Å
170	I	94.8	Very high	88	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	103.4	175.6	-61.8	153.3	0	0	0	108	V151 G154 D155 F157 T173	V151-I170 HydrophobicContact CB-CD1 3.63Å; V151-I170 HydrophobicContact CG1-CD1 3.9Å; G154-I170 WeakPolarHBondContact CA-O 3.43Å; G154-I170 PolarHBondContact N-O 2.7Å; D155-I170 HydrophobicContact CB-CD1 4.1Å; D155-I170 PolarHBondContact O-N 3.06Å; F157-I170 HydrophobicContact CD1-CD1 4.16Å; F157-I170 HydrophobicContact CD1-CG1 4.2Å; F157-I170 HydrophobicContact CE1-CD1 4.21Å; F157-I170 HydrophobicContact CE1-CG1 3.84Å; I170-T173 HydrophobicContact CG2-CG2 3.48Å; I170-T173 VanDerWaalsContact CG2-CG2 3.48Å
171	V	93.8	Very high	88.5	Confident	52 Å²	52	33.8 Å²	33.8	32%	0.315	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-42.3	-177	178.3	0	0	0	0	110.5	H120 L122 K153 K169 I194	H120-V171 HydrophobicContact CB-CB 4.42Å; H120-V171 PolarHBondContact O-N 3.4Å; L122-V171 HydrophobicContact CB-CG2 4.12Å; L122-V171 HydrophobicContact CD1-CG2 3.81Å; L122-V171 HydrophobicContact CG-CG2 3.94Å; K153-V171 WeakPolarHBondContact CE-O 3.06Å; K153-V171 WeakPolarHBondContact CG-O 3.45Å; K169-V171 PolarHBondContact O-N 2.72Å; V171-I194 HydrophobicContact CG2-CD1 3.65Å
172	E	94	Very high	89.4	Confident	103 Å²	103	33.7 Å²	33.7	48%	0.481	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.9	-176.9	-166.5	162.5	-145.5	0	0	112.3	I119 H120	I119-E172 WeakPolarHBondContact CA-O 3.41Å; H120-E172 HydrophobicContact CB-CB 4.1Å; H120-E172 PolarHBondContact N-O 3.27Å; H120-E172 PolarHBondContact O-N 3.44Å
173	T	94.5	Very high	90.4	Very high	5 Å²	5	37 Å²	37	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.2	177.1	54.2	0	0	0	0	109.8	I119 V151 I170 P175 A176 P177	I119-T173 HydrophobicContact CG2-CG2 4.26Å; V151-T173 HydrophobicContact CG2-CG2 4.24Å; I170-T173 HydrophobicContact CG2-CG2 3.48Å; I170-T173 VanDerWaalsContact CG2-CG2 3.48Å; T173-P175 CarbonylContact O-C 3.6Å; T173-A176 PolarHBondContact O-N 3.32Å; T173-P177 PolarHBondContact OG1-O 2.9Å
174	D	94.4	Very high	91.5	Very high	44 Å²	44	43.2 Å²	43.2	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	110.5	172.3	-173.9	-5.8	0	0	0	108.8	G116 K117 R118	G116-D174 CarbonylContact C-O 3.59Å; G116-D174 WeakPolarHBondContact CA-O 3.33Å; K117-D174 PolarHBondContact N-O 3.33Å; R118-D174 HydrophobicContact CG-CB 3.45Å; R118-D174 VanDerWaalsContact CG-CB 3.45Å; R118-D174 IonicContact CZ-OD2 2.82Å; R118-D174 PolarHBondContact N-O 3.37Å; R118-D174 IonicContact NE-OD2 3.21Å; R118-D174 PolarHBondContact NE-OD2 2.91Å; R118-D174 IonicContact NH2-OD2 2.6Å; R118-D174 PolarHBondContact NH2-OD2 3.27Å; R118-D174 PolarHBondContact O-N 3.06Å
175	P	93.5	Very high	92.4	Very high	37 Å²	37	38.5 Å²	38.5	24%	0.24	22%	0.217	C	C	.	.	S	Bend	cis	-73.1	149.3	2.6	29	-33.3	0	0	0	113.6	K114 T173 Y178 C179	K114-P175 HydrophobicContact CB-CG 3.92Å; K114-P175 HydrophobicContact CD-CG 4.46Å; T173-P175 CarbonylContact O-C 3.6Å; P175-Y178 CarbonylContact O-C 3.58Å; P175-C179 HydrophobicContact CG-CB 4.26Å
176	A	90.5	Very high	92.8	Very high	72 Å²	72	41.1 Å²	41.1	60%	0.595	23%	0.233	S	C	*	.	S	Bend	trans	-86.5	152.5	170.2	0	0	0	0	0	111	T173	T173-A176 PolarHBondContact O-N 3.32Å
177	P	92.2	Very high	93.1	Very high	64 Å²	64	42.5 Å²	42.5	42%	0.416	24%	0.24	S	C	.	.	S	Bend	cis	-89.2	-9.3	1.9	32.2	-30.1	0	0	0	114.7	K153 T173	K153-P177 PolarHBondContact N-O 3.34Å; T173-P177 PolarHBondContact OG1-O 2.9Å
178	Y	94.1	Very high	93.1	Very high	55 Å²	55	46.6 Å²	46.6	22%	0.216	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.8	-179	49.2	-105.5	0	0	0	111.3	V73 I110 V113 V151 P175	V73-Y178 HydrophobicContact CG2-CD1 3.82Å; V73-Y178 HydrophobicContact CG2-CD2 4.33Å; V73-Y178 HydrophobicContact CG2-CG 3.69Å; I110-Y178 HydrophobicContact CD1-CE1 4.38Å; I110-Y178 HydrophobicContact CD1-CE2 4.46Å; I110-Y178 HydrophobicContact CG2-CE2 4.43Å; V113-Y178 HydrophobicContact CG1-CD2 4.08Å; V113-Y178 HydrophobicContact CG2-CD2 4.3Å; V113-Y178 HydrophobicContact CG2-CE2 4.14Å; V151-Y178 WeakPolarHBondContact O-CA 3.45Å; V151-Y178 VanDerWaalsContact O-CB 3.24Å; V151-Y178 WeakPolarHBondContact O-CB 3.21Å; P175-Y178 CarbonylContact O-C 3.58Å
179	C	94.7	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.4	176.6	63.2	0	0	0	0	110.9	K114 V151 P175	K114-C179 WeakPolarHBondContact O-CA 3.49Å; V151-C179 WeakPolarHBondContact CG2-O 3.36Å; V151-C179 PolarHBondContact N-O 3.42Å; V151-C179 PolarHBondContact O-N 2.99Å; P175-C179 HydrophobicContact CG-CB 4.26Å
180	I	94.4	Very high	92.1	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	169.3	-71.8	158	0	0	0	108.8	T61 V113 K114 Y115 G116 Y148 A182	T61-I180 HydrophobicContact CG2-CD1 4.28Å; V113-I180 HydrophobicContact CB-CD1 3.92Å; V113-I180 HydrophobicContact CB-CG1 4.31Å; V113-I180 HydrophobicContact CG1-CD1 3.8Å; V113-I180 HydrophobicContact CG1-CG1 3.64Å; K114-I180 PolarHBondContact O-N 3.47Å; Y115-I180 WeakPolarHBondContact CA-O 3.47Å; Y115-I180 HydrophobicContact CD1-CB 3.93Å; Y115-I180 HydrophobicContact CD1-CG2 3.77Å; Y115-I180 HydrophobicContact CE1-CB 4.34Å; Y115-I180 HydrophobicContact CE1-CG2 3.87Å; G116-I180 PolarHBondContact N-O 3.48Å; Y148-I180 HydrophobicContact CD1-CG2 4.2Å; Y148-I180 WeakPolarHBondContact O-CG2 3.37Å; I180-A182 PolarHBondContact O-N 3.3Å
181	V	94	Very high	91.3	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.018	33%	0.325	C	S	.	.			trans	-78.1	106.3	174.2	-172.2	0	0	0	0	108.7	I119 F144 Y148 R149 V151 T185 I187	I119-V181 HydrophobicContact CD1-CG1 4.24Å; I119-V181 HydrophobicContact CD1-CG2 3.81Å; I119-V181 HydrophobicContact CG2-CG2 4.39Å; F144-V181 HydrophobicContact CB-CG1 4Å; F144-V181 HydrophobicContact CD1-CB 3.82Å; F144-V181 HydrophobicContact CD1-CG1 3.72Å; F144-V181 HydrophobicContact CD1-CG2 3.89Å; F144-V181 HydrophobicContact CE1-CB 4.26Å; F144-V181 HydrophobicContact CE1-CG1 4.39Å; F144-V181 HydrophobicContact CE1-CG2 3.81Å; F144-V181 HydrophobicContact CG-CG1 3.93Å; Y148-V181 WeakPolarHBondContact CA-O 3.46Å; R149-V181 PolarHBondContact O-N 2.95Å; V151-V181 HydrophobicContact CB-CG2 4.32Å; V151-V181 HydrophobicContact CG1-CG2 3.78Å; V151-V181 HydrophobicContact CG2-CG2 3.55Å; V181-T185 HydrophobicContact CG1-CG2 4.19Å; V181-I187 HydrophobicContact CG1-CD1 4.22Å
182	A	92.2	Very high	90.8	Very high	15 Å²	15	60.3 Å²	60.3	12%	0.124	35%	0.347	C	S	.	.			trans	-97.4	166.8	175	0	0	0	0	0	110.2	Y115 Y148 I180 E184 T185	Y115-A182 HydrophobicContact CD1-CB 3.81Å; Y115-A182 HydrophobicContact CE1-CB 4.35Å; Y115-A182 HydrophobicContact CG-CB 4.24Å; Y148-A182 HydrophobicContact CD1-CB 4.4Å; Y148-A182 HydrophobicContact CE1-CB 4.2Å; I180-A182 PolarHBondContact O-N 3.3Å; A182-E184 PolarHBondContact O-N 2.99Å; A182-T185 PolarHBondContact N-OG1 3.34Å; A182-T185 VanDerWaalsContact O-CB 3.29Å; A182-T185 WeakPolarHBondContact O-CB 3.3Å; A182-T185 PolarHBondContact O-N 3.33Å; A182-T185 PolarHBondContact O-OG1 3.21Å
183	P	90	Very high	90.5	Very high	88 Å²	88	58.1 Å²	58.1	57%	0.571	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.4	176.2	-28.2	36.2	0	0	0	114.9
184	E	90.6	Very high	90.2	Very high	185 Å²	185	59.6 Å²	59.6	86%	0.864	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.4	178.1	-57.6	-150.8	-145.5	0	0	114.1	A182 V186	A182-E184 PolarHBondContact O-N 2.99Å; E184-V186 PolarHBondContact O-N 2.88Å
185	T	93	Very high	89.9	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.067	37%	0.371	C	S	.	.	S	Bend	trans	-71.6	124.7	177.8	-58.9	0	0	0	0	110	G116 I119 V181 A182 I187	G116-T185 WeakPolarHBondContact O-CB 3.49Å; G116-T185 WeakPolarHBondContact O-CG2 3.43Å; G116-T185 PolarHBondContact O-OG1 2.75Å; I119-T185 HydrophobicContact CG1-CG2 4.5Å; I119-T185 HydrophobicContact CG2-CG2 4.15Å; V181-T185 HydrophobicContact CG1-CG2 4.19Å; A182-T185 PolarHBondContact N-OG1 3.34Å; A182-T185 VanDerWaalsContact O-CB 3.29Å; A182-T185 WeakPolarHBondContact O-CB 3.3Å; A182-T185 PolarHBondContact O-N 3.33Å; A182-T185 PolarHBondContact O-OG1 3.21Å; T185-I187 PolarHBondContact O-N 2.82Å
186	V	92.7	Very high	89.4	Confident	77 Å²	77	65.4 Å²	65.4	47%	0.467	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.6	178.4	-171.7	0	0	0	0	110	K117 R118 I119 E184 H188	K117-V186 PolarHBondContact O-N 3.44Å; R118-V186 CarbonylContact C-O 3.56Å; R118-V186 WeakPolarHBondContact CA-O 3.42Å; R118-V186 HydrophobicContact CB-CB 4.38Å; I119-V186 PolarHBondContact N-O 3.27Å; E184-V186 PolarHBondContact O-N 2.88Å; V186-H188 WeakPolarHBondContact CG1-NE2 3.37Å
187	I	92.7	Very high	89	Confident	30 Å²	30	66.7 Å²	66.7	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.4	-179.7	-55.3	177.9	0	0	0	108.3	I119 F136 L140 F144 V181 T185	I119-I187 HydrophobicContact CD1-CB 4.46Å; I119-I187 HydrophobicContact CD1-CD1 4.33Å; I119-I187 HydrophobicContact CD1-CG1 3.87Å; I119-I187 HydrophobicContact CD1-CG2 4.17Å; I119-I187 HydrophobicContact CG1-CB 4.16Å; I119-I187 HydrophobicContact CG1-CG1 3.89Å; I119-I187 HydrophobicContact CG1-CG2 4.08Å; F136-I187 HydrophobicContact CD2-CB 4.25Å; F136-I187 HydrophobicContact CD2-CG2 4.02Å; F136-I187 HydrophobicContact CE2-CB 3.64Å; F136-I187 HydrophobicContact CE2-CD1 3.9Å; F136-I187 HydrophobicContact CE2-CG1 4.24Å; F136-I187 HydrophobicContact CE2-CG2 3.84Å; L140-I187 HydrophobicContact CD1-CG2 4.19Å; F144-I187 HydrophobicContact CB-CD1 3.94Å; F144-I187 HydrophobicContact CD2-CD1 3.61Å; F144-I187 HydrophobicContact CE2-CD1 4.38Å; F144-I187 HydrophobicContact CG-CD1 3.96Å; V181-I187 HydrophobicContact CG1-CD1 4.22Å; T185-I187 PolarHBondContact O-N 2.82Å
188	H	91.2	Very high	87.8	Confident	86 Å²	86	72.1 Å²	72.1	40%	0.398	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.8	173.6	-68.5	-169.1	0	0	0	109.3	I119 H120 V121 V186	I119-H188 PolarHBondContact O-N 2.78Å; H120-H188 WeakPolarHBondContact CA-O 3.43Å; H120-H188 PolarHBondContact CD2-O 2.82Å; V121-H188 PolarHBondContact N-O 2.82Å; V186-H188 WeakPolarHBondContact CG1-NE2 3.37Å
189	C	86.5	Confident	86.3	Confident	40 Å²	40	75.2 Å²	75.2	27%	0.27	40%	0.403	S	S	.	.			trans	-119.5	8.6	175.3	57.8	0	0	0	0	113.3	V121 L140	V121-C189 WeakPolarHBondContact O-CA 3.35Å; L140-C189 HydrophobicContact CD1-CB 4.02Å
190	D	79.6	Confident	84.8	Confident	131 Å²	131	76.1 Å²	76.1	70%	0.701	41%	0.407	S	S	*	.			trans	-77.6	127.2	-179.9	-60	-34.1	0	0	0	110.8	H120	H120-D190 PolarHBondContact NE2-O 2.68Å
191	G	78.3	Confident	83.5	Confident	52 Å²	52	78.3 Å²	78.3	54%	0.536	42%	0.417	S	S	.	.	S	Bend	trans	150.3	168	173.8	0	0	0	0	0	112.8
192	D	84.6	Confident	82.1	Confident	146 Å²	146	83.9 Å²	83.9	78%	0.781	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-70.3	143.1	176.5	-66.2	-45.9	0	0	0	110.8
193	P	86.4	Confident	80.8	Confident	56 Å²	56	84 Å²	84	36%	0.364	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-55	142.3	173.6	-24.4	33.9	0	0	0	112.5	P123 D125 I128	P123-P193 HydrophobicContact CG-CB 4.37Å; P123-P193 HydrophobicContact CG-CG 4.46Å; P123-P193 WeakPolarHBondContact O-CA 3.27Å; D125-P193 HydrophobicContact CB-CB 3.76Å; I128-P193 HydrophobicContact CD1-CB 3.63Å; I128-P193 HydrophobicContact CD1-CG 3.28Å
194	I	89.5	Confident	79.6	Confident	37 Å²	37	83 Å²	83	19%	0.19	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-87.3	135.1	-176.8	-62.5	171.2	0	0	0	109.6	L122 P123 I124 D125 K169 V171	L122-I194 HydrophobicContact CB-CD1 3.65Å; L122-I194 HydrophobicContact CB-CG1 3.91Å; L122-I194 HydrophobicContact CD1-CD1 4.08Å; L122-I194 HydrophobicContact CD1-CG1 4.09Å; L122-I194 HydrophobicContact CG-CD1 4.45Å; P123-I194 PolarHBondContact O-N 3.18Å; I124-I194 WeakPolarHBondContact CA-O 3.47Å; I124-I194 WeakPolarHBondContact CG2-O 3.44Å; D125-I194 PolarHBondContact N-O 3.47Å; K169-I194 HydrophobicContact CB-CD1 4.04Å; K169-I194 HydrophobicContact CD-CD1 4.3Å; K169-I194 HydrophobicContact CG-CD1 4.42Å; V171-I194 HydrophobicContact CG2-CD1 3.65Å
195	K	87.7	Confident	78.9	Confident	163 Å²	163	77.2 Å²	77.2	71%	0.709	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-73.5	131.2	168.4	-68.6	-173.9	174.6	-174.8	0	110.6	D125	D125-K195 WeakPolarHBondContact OD2-CG 3.34Å
196	R	83.5	Confident	78.4	Confident	40 Å²	40	78.3 Å²	78.3	15%	0.151	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-58.4	135.3	174.8	-166.5	178.3	-62.8	-98.5	0.8	110.9	I124 D126 E167 E200 E201	I124-R196 HydrophobicContact CG2-CB 3.99Å; D126-R196 IonicContact OD1-CZ 2.78Å; D126-R196 IonicContact OD1-NE 3.45Å; D126-R196 IonicContact OD1-NH2 3.54Å; D126-R196 PolarHBondContact OD1-NH2 3.25Å; D126-R196 IonicContact OD2-CZ 2.7Å; D126-R196 IonicContact OD2-NE 2.88Å; D126-R196 PolarHBondContact OD2-NE 3.09Å; D126-R196 VanDerWaalsContact OD2-NE 3.15Å; D126-R196 IonicContact OD2-NH2 3.62Å; D126-R196 PolarHBondContact OD2-NH2 3.05Å; E167-R196 VanDerWaalsContact CD-NH1 3.28Å; E167-R196 IonicContact OE1-CZ 2.82Å; E167-R196 IonicContact OE1-NH1 2.71Å; E167-R196 PolarHBondContact OE1-NH1 3.38Å; E167-R196 IonicContact OE1-NH2 3.76Å; E167-R196 PolarHBondContact OE1-NH2 3.18Å; E167-R196 IonicContact OE2-CZ 3.72Å; E167-R196 IonicContact OE2-NH1 3.1Å; E167-R196 PolarHBondContact OE2-NH1 3.33Å; E167-R196 IonicContact OE2-NH2 3.9Å; E167-R196 PolarHBondContact OE2-NH2 3.1Å; R196-E200 HydrophobicContact CG-CB 3.96Å; R196-E201 PolarHBondContact NH1-O 3.25Å
197	E	80.4	Confident	77.9	Confident	98 Å²	98	74.7 Å²	74.7	46%	0.458	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-78.8	144	175.9	-65.4	171.5	-155.8	0	0	110.2	K169 E199 E200	K169-E197 IonicContact NZ-OE1 3.58Å; K169-E197 PolarHBondContact NZ-OE1 2.82Å; E197-E199 PolarHBondContact O-N 2.77Å; E197-E200 HydrophobicContact CB-CG 4.21Å; E197-E200 PolarHBondContact N-OE2 3.33Å; E197-E200 WeakPolarHBondContact O-CB 3.21Å; E197-E200 PolarHBondContact O-N 2.91Å
198	D	68.3	Low	77.6	Confident	179 Å²	179	73.8 Å²	73.8	96%	0.957	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23	-178.3	-64.1	-32.9	0	0	0	113.9
199	E	62.4	Low	77.1	Confident	120 Å²	120	71.9 Å²	71.9	56%	0.561	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8	176	-61.9	-163.7	167.9	0	0	114	R68 E197	R68-E199 IonicContact CZ-OE2 2.66Å; R68-E199 IonicContact NH1-OE1 3.25Å; R68-E199 PolarHBondContact NH1-OE1 2.9Å; R68-E199 IonicContact NH1-OE2 2.74Å; R68-E199 PolarHBondContact NH1-OE2 2.94Å; E197-E199 PolarHBondContact O-N 2.77Å
200	E	63.7	Low	77.1	Confident	18 Å²	18	72 Å²	72	8%	0.084	37%	0.371	C	S	.	.	S	Bend	trans	-91.4	109.2	177.2	-73.8	173.5	170.5	0	0	109.3	R98 K169 R196 E197	R98-E200 IonicContact NH2-OE1 2.82Å; K169-E200 IonicContact NZ-OE1 3.83Å; K169-E200 PolarHBondContact NZ-OE1 2.84Å; K169-E200 IonicContact NZ-OE2 3.9Å; R196-E200 HydrophobicContact CG-CB 3.96Å; E197-E200 HydrophobicContact CB-CG 4.21Å; E197-E200 PolarHBondContact N-OE2 3.33Å; E197-E200 WeakPolarHBondContact O-CB 3.21Å; E197-E200 PolarHBondContact O-N 2.91Å
201	E	65.5	Low	77.5	Confident	70 Å²	70	66.8 Å²	66.8	33%	0.327	34%	0.343	S	S	.	.			trans	-61.3	146	170.4	-71.6	177.3	163.2	0	0	110.5	R100 R196 L203	R100-E201 IonicContact CZ-OE1 3.48Å; R100-E201 IonicContact CZ-OE2 2.82Å; R100-E201 IonicContact NE-OE1 2.74Å; R100-E201 IonicContact NE-OE2 3.43Å; R100-E201 IonicContact NH1-OE1 3.67Å; R100-E201 IonicContact NH1-OE2 2.8Å; R100-E201 PolarHBondContact NH1-OE2 2.88Å; R100-E201 IonicContact NH2-OE1 3.18Å; R100-E201 PolarHBondContact NH2-OE1 2.71Å; R100-E201 IonicContact NH2-OE2 2.61Å; R100-E201 PolarHBondContact NH2-OE2 2.88Å; R196-E201 PolarHBondContact NH1-O 3.25Å; E201-L203 PolarHBondContact O-N 3.1Å
202	R	65.2	Low	77.8	Confident	119 Å²	119	64.8 Å²	64.8	45%	0.449	32%	0.322	S	S	.	.			trans	-68	126.8	173.3	-68.3	-178.7	127.6	-172.6	-4.9	108.5	R91 D126 D204 D205	R91-R202 PolarHBondContact NH2-O 3.37Å; D126-R202 IonicContact OD2-CZ 2.76Å; D126-R202 IonicContact OD2-NE 3.47Å; D126-R202 PolarHBondContact OD2-NE 2.88Å; D126-R202 VanDerWaalsContact OD2-NE 3.17Å; D126-R202 IonicContact OD2-NH2 3.79Å; D126-R202 PolarHBondContact OD2-NH2 3.42Å; R202-D204 PolarHBondContact O-N 2.93Å; R202-D205 PolarHBondContact O-N 2.91Å
203	L	64.4	Low	77.6	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.089	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.5	172.7	-72.6	162.8	0	0	0	110.5	R91 V92 N95 T158 E167 E201 D205	R91-L203 HydrophobicContact CG-CD2 4.12Å; R91-L203 PolarHBondContact NH1-O 3.27Å; R91-L203 PolarHBondContact NH2-O 3.22Å; V92-L203 HydrophobicContact CG2-CD1 4.36Å; V92-L203 HydrophobicContact CG2-CD2 4.25Å; N95-L203 HydrophobicContact CB-CD2 4.13Å; N95-L203 WeakPolarHBondContact ND2-CD2 3.44Å; T158-L203 HydrophobicContact CG2-CB 4.05Å; T158-L203 HydrophobicContact CG2-CD1 3.61Å; T158-L203 HydrophobicContact CG2-CG 4.39Å; E167-L203 HydrophobicContact CG-CD1 4.11Å; E167-L203 WeakPolarHBondContact OE1-CB 3.19Å; E167-L203 PolarHBondContact OE1-N 3.16Å; E201-L203 PolarHBondContact O-N 3.1Å; L203-D205 VanDerWaalsContact C-N 3.34Å
204	D	66	Low	77.4	Confident	67 Å²	67	56.7 Å²	56.7	36%	0.358	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.5	175.8	-53.2	-29.4	0	0	0	114.9	R202	R202-D204 PolarHBondContact O-N 2.93Å
205	D	75.2	Confident	76.8	Confident	64 Å²	64	62.9 Å²	62.9	34%	0.342	30%	0.302	S	S	.	.	S	Bend	trans	-62.6	151.8	175.6	-74.1	-27.6	0	0	0	109.6	R91 R202 L203 G207	R91-D205 PolarHBondContact NH1-O 2.94Å; R91-D205 PolarHBondContact NH2-O 2.85Å; R202-D205 PolarHBondContact O-N 2.91Å; L203-D205 VanDerWaalsContact C-N 3.34Å; D205-G207 PolarHBondContact O-N 2.87Å
206	V	83	Confident	76.3	Confident	35 Å²	35	63.3 Å²	63.3	21%	0.212	30%	0.304	C	S	.	.			trans	-72.1	128.8	-178.1	-177.5	0	0	0	0	110.4	D210 L258 R261 A262 N265	V206-D210 WeakPolarHBondContact CA-OD2 3.4Å; V206-D210 HydrophobicContact CG1-CB 3.98Å; V206-L258 HydrophobicContact CG1-CD2 3.45Å; V206-L258 VanDerWaalsContact CG1-CD2 3.45Å; V206-L258 HydrophobicContact CG1-CG 3.76Å; V206-R261 HydrophobicContact CB-CG 4.43Å; V206-A262 HydrophobicContact CG1-CB 4.06Å; V206-A262 WeakPolarHBondContact O-CA 3.13Å; V206-N265 PolarHBondContact N-ND2 2.79Å; V206-N265 WeakPolarHBondContact O-CB 3.32Å; V206-N265 PolarHBondContact O-ND2 2.81Å
207	G	82.4	Confident	76.4	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.01	31%	0.308	C	S	.	.			trans	-114.4	-173.1	174.8	0	0	0	0	0	113.4	D205 D209 D210 A262	D205-G207 PolarHBondContact O-N 2.87Å; G207-D209 VanDerWaalsContact C-N 3.28Å; G207-D209 WeakPolarHBondContact CA-OD1 3.45Å; G207-D210 PolarHBondContact N-OD2 2.91Å; G207-D210 PolarHBondContact O-N 3.29Å; G207-A262 WeakPolarHBondContact O-CB 3.39Å
208	Y	84.8	Confident	76.6	Confident	10 Å²	10	59.8 Å²	59.8	4%	0.039	29%	0.29	C	S	.	.	S	Bend	trans	-71.5	-26.1	174.7	-66.6	-44.9	0	0	0	113.1	I101 D210 I211 L218 K222 A262 V263 E266	I101-Y208 HydrophobicContact CD1-CD2 3.57Å; I101-Y208 HydrophobicContact CD1-CE2 3.97Å; Y208-D210 PolarHBondContact O-N 3.37Å; Y208-I211 HydrophobicContact CD1-CD1 4.49Å; Y208-I211 PolarHBondContact O-N 3.02Å; Y208-L218 HydrophobicContact CD1-CD2 4.15Å; Y208-L218 HydrophobicContact CE1-CD2 4.33Å; Y208-K222 VanDerWaalsContact CD2-CE 3.43Å; Y208-K222 VanDerWaalsContact CD2-NZ 3.34Å; Y208-K222 HydrophobicContact CE2-CD 4.33Å; Y208-K222 HydrophobicContact CE2-CG 4.47Å; Y208-K222 VanDerWaalsContact CZ-CE 3.44Å; Y208-A262 HydrophobicContact CD1-CB 4.24Å; Y208-V263 HydrophobicContact CE1-CB 4.4Å; Y208-V263 HydrophobicContact CE1-CG2 3.75Å; Y208-E266 HydrophobicContact CD1-CG 4.35Å; Y208-E266 HydrophobicContact CD2-CB 3.91Å; Y208-E266 HydrophobicContact CD2-CG 3.47Å; Y208-E266 VanDerWaalsContact CD2-CG 3.47Å; Y208-E266 HydrophobicContact CE1-CB 4.39Å; Y208-E266 HydrophobicContact CE1-CG 4.37Å; Y208-E266 HydrophobicContact CE2-CB 3.35Å; Y208-E266 HydrophobicContact CE2-CG 3.5Å; Y208-E266 HydrophobicContact CG-CG 3.92Å
209	D	81.9	Confident	77.3	Confident	47 Å²	47	54 Å²	54	25%	0.251	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.8	174.5	51.7	-29.7	0	0	0	112.9	R91 G207 I211	R91-D209 IonicContact NH1-OD1 2.88Å; G207-D209 VanDerWaalsContact C-N 3.28Å; G207-D209 WeakPolarHBondContact CA-OD1 3.45Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 PolarHBondContact O-N 2.97Å
210	D	85.8	Confident	78.4	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.23	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.3	176.1	-58.5	-52	0	0	0	113.3	R91 V206 G207 Y208	R91-D210 IonicContact NH1-OD2 3.55Å; V206-D210 WeakPolarHBondContact CA-OD2 3.4Å; V206-D210 HydrophobicContact CG1-CB 3.98Å; G207-D210 PolarHBondContact N-OD2 2.91Å; G207-D210 PolarHBondContact O-N 3.29Å; Y208-D210 PolarHBondContact O-N 3.37Å
211	I	87.7	Confident	79.5	Confident	20 Å²	20	52.1 Å²	52.1	10%	0.103	26%	0.258	C	S	.	.			trans	-115.2	110.2	-178.6	-55.5	177.4	0	0	0	111.5	Y208 D209 C214 L218 L258 I259 A262	Y208-I211 HydrophobicContact CD1-CD1 4.49Å; Y208-I211 PolarHBondContact O-N 3.02Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 PolarHBondContact O-N 2.97Å; I211-C214 HydrophobicContact CG2-CB 4.08Å; I211-L218 HydrophobicContact CB-CD1 3.97Å; I211-L218 HydrophobicContact CD1-CD1 4.32Å; I211-L218 HydrophobicContact CD1-CD2 3.85Å; I211-L218 HydrophobicContact CG2-CD1 3.77Å; I211-L218 HydrophobicContact CG2-CG 4.36Å; I211-L258 HydrophobicContact CD1-CD2 3.98Å; I211-L258 HydrophobicContact CG1-CD2 3.38Å; I211-I259 HydrophobicContact CD1-CB 4.38Å; I211-I259 HydrophobicContact CD1-CG1 4.04Å; I211-I259 HydrophobicContact CG2-CG1 4.23Å; I211-A262 HydrophobicContact CD1-CB 3.43Å; I211-A262 VanDerWaalsContact CD1-CB 3.43Å; I211-A262 HydrophobicContact CG1-CB 4.32Å
212	G	85.6	Confident	80.4	Confident	10 Å²	10	51.3 Å²	51.3	10%	0.103	25%	0.254	C	S	.	.			trans	-95	149.7	174	0	0	0	0	0	113.8	C214	G212-C214 VanDerWaalsContact C-N 3.25Å; G212-C214 PolarHBondContact O-N 3Å; G212-C214 VanDerWaalsContact O-N 3.11Å
213	G	81.2	Confident	81.2	Confident	19 Å²	19	51.8 Å²	51.8	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	75.1	-4.4	166.5	0	0	0	0	0	117.3	E384	G213-E384 PolarHBondContact N-OE2 3.43Å
214	C	82.1	Confident	82.2	Confident	14 Å²	14	52.1 Å²	52.1	10%	0.095	26%	0.262	C	S	.	.			trans	-111.8	29	-173.7	-63.9	0	0	0	0	113.8	I211 G212 K216 Q217 L218 I259	I211-C214 HydrophobicContact CG2-CB 4.08Å; G212-C214 VanDerWaalsContact C-N 3.25Å; G212-C214 PolarHBondContact O-N 3Å; G212-C214 VanDerWaalsContact O-N 3.11Å; C214-K216 PolarHBondContact O-N 3.19Å; C214-Q217 HydrophobicContact CB-CB 4.45Å; C214-Q217 PolarHBondContact O-N 2.72Å; C214-Q217 PolarHBondContact O-OE1 3.4Å; C214-L218 HydrophobicContact CB-CG 4.47Å; C214-L218 WeakPolarHBondContact O-CB 3.46Å; C214-L218 WeakPolarHBondContact O-CG 3.4Å; C214-L218 PolarHBondContact O-N 3.02Å; C214-I259 HydrophobicContact CB-CD1 4.42Å
215	R	75.9	Confident	83.2	Confident	166 Å²	166	48.9 Å²	48.9	63%	0.626	25%	0.245	S	C	*	.	H	α-helix	trans	-55.2	-44.6	-171.8	-64.4	-175.9	-174.5	-157.1	-7.7	114	A219 E384	R215-A219 PolarHBondContact O-N 3.5Å; R215-E384 IonicContact CZ-OE1 2.73Å; R215-E384 IonicContact NE-OE1 3.07Å; R215-E384 PolarHBondContact NE-OE1 3.26Å; R215-E384 IonicContact NE-OE2 2.97Å; R215-E384 IonicContact NH2-OE1 2.77Å; R215-E384 PolarHBondContact NH2-OE1 2.86Å
216	K	77.2	Confident	83.3	Confident	172 Å²	172	47.4 Å²	47.4	75%	0.748	24%	0.236	S	C	*	.	H	α-helix	trans	-67.4	-43.4	-178.6	-69	178.5	-178.2	169.7	0	111.4	C214 A219 Q220	C214-K216 PolarHBondContact O-N 3.19Å; K216-A219 PolarHBondContact O-N 3.41Å; K216-Q220 PolarHBondContact O-N 3.18Å
217	Q	84.6	Confident	83.1	Confident	50 Å²	50	49 Å²	49	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-44.6	178.7	-66.5	78.6	-2.3	0	0	110.4	C214 A219 Q220 I221 I372 D373 I374	C214-Q217 HydrophobicContact CB-CB 4.45Å; C214-Q217 PolarHBondContact O-N 2.72Å; C214-Q217 PolarHBondContact O-OE1 3.4Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 2.93Å; Q217-Q220 PolarHBondContact O-N 3.47Å; Q217-I221 WeakPolarHBondContact O-CG1 3.4Å; Q217-I221 PolarHBondContact O-N 3.44Å; Q217-I372 HydrophobicContact CB-CG2 4.01Å; Q217-I372 HydrophobicContact CG-CG2 3.9Å; Q217-D373 WeakPolarHBondContact CG-O 3.32Å; Q217-D373 PolarHBondContact NE2-O 2.95Å; Q217-I374 HydrophobicContact CB-CD1 3.82Å; Q217-I374 HydrophobicContact CG-CD1 3.83Å
218	L	85.8	Confident	83	Confident	15 Å²	15	49.3 Å²	49.3	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-41.6	174.4	-78.2	177.1	0	0	0	112.2	Y208 I211 C214 Q220 I221 K222 I259	Y208-L218 HydrophobicContact CD1-CD2 4.15Å; Y208-L218 HydrophobicContact CE1-CD2 4.33Å; I211-L218 HydrophobicContact CB-CD1 3.97Å; I211-L218 HydrophobicContact CD1-CD1 4.32Å; I211-L218 HydrophobicContact CD1-CD2 3.85Å; I211-L218 HydrophobicContact CG2-CD1 3.77Å; I211-L218 HydrophobicContact CG2-CG 4.36Å; C214-L218 HydrophobicContact CB-CG 4.47Å; C214-L218 WeakPolarHBondContact O-CB 3.46Å; C214-L218 WeakPolarHBondContact O-CG 3.4Å; C214-L218 PolarHBondContact O-N 3.02Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.02Å; L218-I221 PolarHBondContact O-N 3.22Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 VanDerWaalsContact O-CG 3.27Å; L218-K222 WeakPolarHBondContact O-CG 3.16Å; L218-K222 PolarHBondContact O-N 3.22Å; L218-I259 HydrophobicContact CD2-CG2 3.96Å
219	A	82.5	Confident	82.7	Confident	56 Å²	56	50 Å²	50	46%	0.463	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-43.4	176.6	0	0	0	0	0	112.2	R215 K216 Q217 K222 E223	R215-A219 PolarHBondContact O-N 3.5Å; K216-A219 PolarHBondContact O-N 3.41Å; Q217-A219 VanDerWaalsContact C-N 3.33Å; Q217-A219 PolarHBondContact O-N 2.93Å; A219-K222 PolarHBondContact O-N 2.83Å; A219-E223 PolarHBondContact O-N 3.11Å
220	Q	85.5	Confident	82.3	Confident	98 Å²	98	50.8 Å²	50.8	46%	0.458	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-43.8	175.6	-68.3	178.9	0.4	0	0	111.7	K216 Q217 L218 E223 M224	K216-Q220 PolarHBondContact O-N 3.18Å; Q217-Q220 PolarHBondContact O-N 3.47Å; L218-Q220 VanDerWaalsContact C-N 3.34Å; L218-Q220 PolarHBondContact O-N 3.02Å; Q220-E223 PolarHBondContact O-N 2.94Å; Q220-M224 HydrophobicContact CB-CE 4.01Å; Q220-M224 VanDerWaalsContact O-CE 3.25Å; Q220-M224 WeakPolarHBondContact O-CE 3.47Å; Q220-M224 WeakPolarHBondContact O-CG 3.2Å; Q220-M224 PolarHBondContact O-N 3.04Å
221	I	88	Confident	81.7	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-42.4	179	-63.9	167.4	0	0	0	110.8	Q217 L218 E223 M224 V225 L248 I259 V263 I372	Q217-I221 WeakPolarHBondContact O-CG1 3.4Å; Q217-I221 PolarHBondContact O-N 3.44Å; L218-I221 PolarHBondContact O-N 3.22Å; I221-E223 VanDerWaalsContact C-N 3.34Å; I221-E223 PolarHBondContact O-N 2.97Å; I221-M224 PolarHBondContact O-N 3.16Å; I221-V225 HydrophobicContact CG2-CB 4.48Å; I221-V225 HydrophobicContact CG2-CG2 3.86Å; I221-V225 VanDerWaalsContact O-CB 3.3Å; I221-V225 WeakPolarHBondContact O-CB 3.48Å; I221-V225 WeakPolarHBondContact O-CG2 3.09Å; I221-V225 PolarHBondContact O-N 3.27Å; I221-L248 HydrophobicContact CD1-CD2 3.95Å; I221-I259 HydrophobicContact CD1-CG2 3.42Å; I221-I259 VanDerWaalsContact CD1-CG2 3.42Å; I221-V263 HydrophobicContact CG2-CG1 4.23Å; I221-V263 HydrophobicContact CG2-CG2 3.62Å; I221-I372 HydrophobicContact CD1-CD1 3.97Å; I221-I372 HydrophobicContact CG1-CD1 3.28Å
222	K	83.6	Confident	81.1	Confident	53 Å²	53	54.6 Å²	54.6	23%	0.23	27%	0.269	C	S	.	.	I	π-helix	trans	-56	-48.4	174.1	-75.5	178.7	-179.1	-167.3	0	110.8	Y208 L218 A219 M224 V225 E226	Y208-K222 VanDerWaalsContact CD2-CE 3.43Å; Y208-K222 VanDerWaalsContact CD2-NZ 3.34Å; Y208-K222 HydrophobicContact CE2-CD 4.33Å; Y208-K222 HydrophobicContact CE2-CG 4.47Å; Y208-K222 VanDerWaalsContact CZ-CE 3.44Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 VanDerWaalsContact O-CG 3.27Å; L218-K222 WeakPolarHBondContact O-CG 3.16Å; L218-K222 PolarHBondContact O-N 3.22Å; A219-K222 PolarHBondContact O-N 2.83Å; K222-M224 VanDerWaalsContact C-N 3.32Å; K222-M224 PolarHBondContact O-N 3.44Å; K222-V225 PolarHBondContact O-N 3.47Å; K222-E226 WeakPolarHBondContact O-CA 3.16Å; K222-E226 WeakPolarHBondContact O-CB 3.48Å; K222-E226 PolarHBondContact O-N 3.02Å
223	E	82.3	Confident	80.5	Confident	129 Å²	129	61.8 Å²	61.8	60%	0.603	30%	0.3	S	S	*	.	I	π-helix	trans	-59.3	-43.1	177.1	-169.4	-174.6	164.2	0	0	112.4	A219 Q220 I221 L227	A219-E223 PolarHBondContact O-N 3.11Å; Q220-E223 PolarHBondContact O-N 2.94Å; I221-E223 VanDerWaalsContact C-N 3.34Å; I221-E223 PolarHBondContact O-N 2.97Å; E223-L227 HydrophobicContact CB-CD1 4.45Å; E223-L227 HydrophobicContact CG-CD1 3.71Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 WeakPolarHBondContact O-CD1 3.49Å
224	M	85.2	Confident	80.4	Confident	23 Å²	23	65.5 Å²	65.5	11%	0.113	31%	0.314	C	S	.	.	I	π-helix	trans	-80.2	-23.3	-175.1	-68.8	-174.2	-71.5	0	0	114.4	Q220 I221 K222 P228 P243 I246 R370 I372	Q220-M224 HydrophobicContact CB-CE 4.01Å; Q220-M224 VanDerWaalsContact O-CE 3.25Å; Q220-M224 WeakPolarHBondContact O-CE 3.47Å; Q220-M224 WeakPolarHBondContact O-CG 3.2Å; Q220-M224 PolarHBondContact O-N 3.04Å; I221-M224 PolarHBondContact O-N 3.16Å; K222-M224 VanDerWaalsContact C-N 3.32Å; K222-M224 PolarHBondContact O-N 3.44Å; M224-P228 WeakPolarHBondContact O-CD 3.36Å; M224-P228 VanDerWaalsContact O-CG 3.26Å; M224-P228 WeakPolarHBondContact O-CG 3.18Å; M224-P243 HydrophobicContact CB-CG 4Å; M224-P243 HydrophobicContact CG-CG 4.37Å; M224-P243 WeakPolarHBondContact O-CG 3.2Å; M224-I246 HydrophobicContact CB-CD1 3.89Å; M224-I246 HydrophobicContact CE-CD1 4.4Å; M224-R370 HydrophobicContact CE-CB 4.45Å; M224-R370 HydrophobicContact SD-CB 3.72Å; M224-R370 HydrophobicContact SD-CG 3.45Å; M224-R370 WeakPolarHBondContact SD-CG 3.48Å; M224-I372 HydrophobicContact CE-CD1 3.36Å; M224-I372 HydrophobicContact CE-CG1 4.05Å
225	V	85.8	Confident	80.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-112.9	-49	-174.4	-178.1	0	0	0	0	111.8	I221 K222 P228 L229 I246 V263 I305 I347 I349	I221-V225 HydrophobicContact CG2-CB 4.48Å; I221-V225 HydrophobicContact CG2-CG2 3.86Å; I221-V225 VanDerWaalsContact O-CB 3.3Å; I221-V225 WeakPolarHBondContact O-CB 3.48Å; I221-V225 WeakPolarHBondContact O-CG2 3.09Å; I221-V225 PolarHBondContact O-N 3.27Å; K222-V225 PolarHBondContact O-N 3.47Å; V225-P228 WeakPolarHBondContact O-CD 3.38Å; V225-L229 HydrophobicContact CG1-CD1 3.68Å; V225-L229 WeakPolarHBondContact O-CB 3.49Å; V225-L229 WeakPolarHBondContact O-CG 3.47Å; V225-L229 PolarHBondContact O-N 3Å; V225-I246 HydrophobicContact CG2-CD1 3.46Å; V225-I246 VanDerWaalsContact CG2-CD1 3.46Å; V225-V263 HydrophobicContact CB-CG1 3.94Å; V225-V263 HydrophobicContact CG1-CG1 3.52Å; V225-V263 HydrophobicContact CG2-CG1 4.41Å; V225-I305 HydrophobicContact CG1-CD1 3.72Å; V225-I305 HydrophobicContact CG1-CG1 4.46Å; V225-I347 HydrophobicContact CB-CD1 4.29Å; V225-I347 HydrophobicContact CG1-CD1 4Å; V225-I347 HydrophobicContact CG2-CD1 4.42Å; V225-I347 HydrophobicContact CG2-CG2 4.38Å; V225-I349 HydrophobicContact CG2-CD1 4.37Å
226	E	78.2	Confident	80.2	Confident	32 Å²	32	67.8 Å²	67.8	15%	0.15	33%	0.327	C	S	.	.	I	π-helix	trans	-67.4	-45.4	-176.5	-165.8	177.9	153.4	0	0	111.1	K222 L229 R230 T267	K222-E226 WeakPolarHBondContact O-CA 3.16Å; K222-E226 WeakPolarHBondContact O-CB 3.48Å; K222-E226 PolarHBondContact O-N 3.02Å; E226-L229 PolarHBondContact O-N 3.48Å; E226-R230 HydrophobicContact CG-CG 4Å; E226-R230 VanDerWaalsContact O-CB 3.22Å; E226-R230 WeakPolarHBondContact O-CB 3.32Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.33Å; E226-T267 HydrophobicContact CB-CG2 4.3Å; E226-T267 HydrophobicContact CG-CG2 4.23Å
227	L	78.6	Confident	80.3	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-48.5	-178.5	-64.5	174.7	0	0	0	112.8	E223 L229 H231 F235	E223-L227 HydrophobicContact CB-CD1 4.45Å; E223-L227 HydrophobicContact CG-CD1 3.71Å; E223-L227 WeakPolarHBondContact O-CB 3.42Å; E223-L227 WeakPolarHBondContact O-CD1 3.49Å; L227-L229 PolarHBondContact O-N 3.43Å; L227-H231 CarbonylContact O-C 3.44Å; L227-H231 WeakPolarHBondContact O-CA 3.45Å; L227-H231 PolarHBondContact O-N 2.88Å; L227-F235 HydrophobicContact CB-CE2 4.07Å; L227-F235 HydrophobicContact CB-CZ 4.43Å
228	P	80.4	Confident	80.3	Confident	8 Å²	8	66.3 Å²	66.3	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-36.7	176.8	-25.6	35.5	0	0	0	114.4	M224 V225 F235 P242 I347	M224-P228 WeakPolarHBondContact O-CD 3.36Å; M224-P228 VanDerWaalsContact O-CG 3.26Å; M224-P228 WeakPolarHBondContact O-CG 3.18Å; V225-P228 WeakPolarHBondContact O-CD 3.38Å; P228-F235 HydrophobicContact CB-CD2 4.44Å; P228-F235 HydrophobicContact CB-CE2 4.07Å; P228-F235 HydrophobicContact CB-CZ 4.44Å; P228-F235 HydrophobicContact CG-CD2 4.47Å; P228-F235 HydrophobicContact CG-CE1 4.4Å; P228-F235 HydrophobicContact CG-CE2 3.68Å; P228-F235 HydrophobicContact CG-CZ 3.64Å; P228-P242 HydrophobicContact CB-CB 3.71Å; P228-P242 HydrophobicContact CG-CB 3.75Å; P228-I347 HydrophobicContact CB-CD1 4.41Å
229	L	78.7	Confident	80.1	Confident	24 Å²	24	68.8 Å²	68.8	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-78.3	-39.5	-176.4	-65	179.9	0	0	0	112	V225 E226 L227 A269 P303 I305 I347	V225-L229 HydrophobicContact CG1-CD1 3.68Å; V225-L229 WeakPolarHBondContact O-CB 3.49Å; V225-L229 WeakPolarHBondContact O-CG 3.47Å; V225-L229 PolarHBondContact O-N 3Å; E226-L229 PolarHBondContact O-N 3.48Å; L227-L229 PolarHBondContact O-N 3.43Å; L229-A269 HydrophobicContact CD1-CB 4.05Å; L229-P303 HydrophobicContact CD2-CB 3.82Å; L229-I305 HydrophobicContact CD1-CD1 4.36Å; L229-I305 HydrophobicContact CD1-CG1 4.32Å; L229-I347 HydrophobicContact CD1-CD1 4.24Å; L229-I347 HydrophobicContact CD2-CD1 4.11Å; L229-I347 HydrophobicContact CG-CD1 3.94Å
230	R	72.7	Confident	80.1	Confident	65 Å²	65	71.1 Å²	71.1	25%	0.245	38%	0.378	C	S	.	.	H	α-helix	trans	-84.6	-38.1	-179.2	-71.1	-78.3	170.7	151.6	-6.7	113.3	R100 D103 E226 P232 T267	R100-R230 VanDerWaalsContact CB-NH2 3.32Å; D103-R230 VanDerWaalsContact CG-NH1 3.33Å; D103-R230 IonicContact OD1-NH1 3.55Å; D103-R230 PolarHBondContact OD1-NH1 2.57Å; D103-R230 IonicContact OD2-NH1 2.97Å; D103-R230 PolarHBondContact OD2-NH1 3.28Å; E226-R230 HydrophobicContact CG-CG 4Å; E226-R230 VanDerWaalsContact O-CB 3.22Å; E226-R230 WeakPolarHBondContact O-CB 3.32Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 3.33Å; R230-P232 WeakPolarHBondContact O-CD 3.49Å; R230-T267 PolarHBondContact NH2-O 2.78Å
231	H	74.9	Confident	79.8	Confident	92 Å²	92	74 Å²	74	43%	0.426	39%	0.389	S	S	.	.			trans	-127.1	58.3	-173.4	-58.4	-69.3	0	0	0	112.9	L227 Q233 L234	L227-H231 CarbonylContact O-C 3.44Å; L227-H231 WeakPolarHBondContact O-CA 3.45Å; L227-H231 PolarHBondContact O-N 2.88Å; H231-Q233 PolarHBondContact O-N 2.97Å; H231-L234 HydrophobicContact CB-CD1 3.53Å; H231-L234 HydrophobicContact CB-CG 3.88Å; H231-L234 WeakPolarHBondContact O-CB 3.2Å; H231-L234 PolarHBondContact O-N 2.68Å
232	P	73.6	Confident	79.5	Confident	51 Å²	51	75.7 Å²	75.7	33%	0.331	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-22.3	-178.2	24.1	-34.2	0	0	0	113.7	R230 L234 K236 H345	R230-P232 WeakPolarHBondContact O-CD 3.49Å; P232-L234 VanDerWaalsContact C-N 3.31Å; P232-L234 PolarHBondContact O-N 2.92Å; P232-K236 PolarHBondContact O-N 3.21Å; P232-H345 VanDerWaalsContact CB-CE1 3.49Å; P232-H345 WeakPolarHBondContact CB-CE1 3.35Å
233	Q	74	Confident	79.5	Confident	161 Å²	161	74.2 Å²	74.2	75%	0.752	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-31	176.6	-59.9	-174.7	11.4	0	0	112.8	H231 K236 A237	H231-Q233 PolarHBondContact O-N 2.97Å; Q233-K236 PolarHBondContact O-N 3.09Å; Q233-A237 WeakPolarHBondContact O-CB 3.35Å; Q233-A237 PolarHBondContact O-N 2.81Å
234	L	77.9	Confident	79.7	Confident	96 Å²	96	70.7 Å²	70.7	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-47.8	178.2	-68.3	175.8	0	0	0	110.8	H231 P232 K236 A237 V238	H231-L234 HydrophobicContact CB-CD1 3.53Å; H231-L234 HydrophobicContact CB-CG 3.88Å; H231-L234 WeakPolarHBondContact O-CB 3.2Å; H231-L234 PolarHBondContact O-N 2.68Å; P232-L234 VanDerWaalsContact C-N 3.31Å; P232-L234 PolarHBondContact O-N 2.92Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 3.36Å; L234-A237 PolarHBondContact O-N 3.21Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 3.25Å
235	F	77.4	Confident	80	Confident	44 Å²	44	69.6 Å²	69.6	19%	0.193	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-38.4	176.9	-72.5	-89.9	0	0	0	111.9	L227 P228 G239 I240 P242	L227-F235 HydrophobicContact CB-CE2 4.07Å; L227-F235 HydrophobicContact CB-CZ 4.43Å; P228-F235 HydrophobicContact CB-CD2 4.44Å; P228-F235 HydrophobicContact CB-CE2 4.07Å; P228-F235 HydrophobicContact CB-CZ 4.44Å; P228-F235 HydrophobicContact CG-CD2 4.47Å; P228-F235 HydrophobicContact CG-CE1 4.4Å; P228-F235 HydrophobicContact CG-CE2 3.68Å; P228-F235 HydrophobicContact CG-CZ 3.64Å; F235-G239 PolarHBondContact O-N 3.43Å; F235-I240 PolarHBondContact O-N 3.05Å; F235-P242 HydrophobicContact CD1-CB 3.94Å; F235-P242 HydrophobicContact CE1-CB 4.01Å; F235-P242 HydrophobicContact CG-CB 4.33Å; F235-P242 HydrophobicContact CZ-CB 4.48Å
236	K	76.6	Confident	80.4	Confident	184 Å²	184	69.7 Å²	69.7	80%	0.8	37%	0.372	S	S	*	.	H	α-helix	trans	-66.3	-38.3	175.9	-168.3	179.6	178.6	-174.8	0	112.5	P232 Q233 L234	P232-K236 PolarHBondContact O-N 3.21Å; Q233-K236 PolarHBondContact O-N 3.09Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 3.36Å
237	A	79.9	Confident	81.1	Confident	88 Å²	88	68.1 Å²	68.1	73%	0.727	37%	0.365	S	S	*	.	H	α-helix	trans	-73.3	-41.5	-179.3	0	0	0	0	0	112.4	Q233 L234 G239	Q233-A237 WeakPolarHBondContact O-CB 3.35Å; Q233-A237 PolarHBondContact O-N 2.81Å; L234-A237 PolarHBondContact O-N 3.21Å; A237-G239 VanDerWaalsContact C-N 3.34Å
238	V	85.4	Confident	81.9	Confident	104 Å²	104	65 Å²	65	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-78.9	-20.7	179.1	-173.9	0	0	0	0	111.7	L234 I240	L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 3.25Å; V238-I240 VanDerWaalsContact C-N 3.34Å; V238-I240 HydrophobicContact CB-CG1 4.49Å; V238-I240 HydrophobicContact CG1-CD1 3.52Å; V238-I240 HydrophobicContact CG1-CG1 3.82Å
239	G	80.6	Confident	82.4	Confident	66 Å²	66	67.4 Å²	67.4	68%	0.68	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	17.9	179.9	0	0	0	0	0	113.7	F235 A237	F235-G239 PolarHBondContact O-N 3.43Å; A237-G239 VanDerWaalsContact C-N 3.34Å
240	I	82.4	Confident	82.6	Confident	106 Å²	106	66.7 Å²	66.7	54%	0.544	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-96.1	139.5	177.1	-60.9	173.4	0	0	0	108.8	F235 V238	F235-I240 PolarHBondContact O-N 3.05Å; V238-I240 VanDerWaalsContact C-N 3.34Å; V238-I240 HydrophobicContact CB-CG1 4.49Å; V238-I240 HydrophobicContact CG1-CD1 3.52Å; V238-I240 HydrophobicContact CG1-CG1 3.82Å
241	K	79.2	Confident	83.1	Confident	158 Å²	158	64.7 Å²	64.7	69%	0.687	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-80	132.9	173.2	-66.9	179.2	-177.8	174.8	0	109.3
242	P	81.2	Confident	83.6	Confident	38 Å²	38	63.4 Å²	63.4	25%	0.247	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.9	154.7	172.4	29.1	-34.8	0	0	0	110.6	P228 F235	P228-P242 HydrophobicContact CB-CB 3.71Å; P228-P242 HydrophobicContact CG-CB 3.75Å; F235-P242 HydrophobicContact CD1-CB 3.94Å; F235-P242 HydrophobicContact CE1-CB 4.01Å; F235-P242 HydrophobicContact CG-CB 4.33Å; F235-P242 HydrophobicContact CZ-CB 4.48Å
243	P	84.1	Confident	84.3	Confident	22 Å²	22	62.5 Å²	62.5	14%	0.143	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-61.3	141	174.1	27.7	-33.8	0	0	0	109.9	M224 R370	M224-P243 HydrophobicContact CB-CG 4Å; M224-P243 HydrophobicContact CG-CG 4.37Å; M224-P243 WeakPolarHBondContact O-CG 3.2Å; P243-R370 HydrophobicContact CB-CG 4.26Å
244	R	86	Confident	85	Confident	55 Å²	55	55.3 Å²	55.3	21%	0.208	32%	0.317	C	S	.	.			trans	-96.6	-36.8	-179.5	-69	179.7	176.4	-167.5	-3.7	112.5	M337 D338 L340 V348 G366	R244-M337 PolarHBondContact NH1-O 3.44Å; R244-D338 PolarHBondContact NH1-O 3.46Å; R244-L340 PolarHBondContact NH1-O 3.12Å; R244-L340 PolarHBondContact NH2-O 3.37Å; R244-V348 PolarHBondContact O-N 3.44Å; R244-G366 WeakPolarHBondContact CD-O 3.35Å
245	G	91.7	Very high	85.6	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.7	-174.1	0	0	0	0	0	112.2	V348 R367	G245-V348 CarbonylContact C-O 3.45Å; G245-V348 WeakPolarHBondContact CA-O 3.45Å; G245-R367 WeakPolarHBondContact CA-O 3.44Å; G245-R367 PolarHBondContact N-O 2.97Å
246	I	93.9	Very high	86.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.6	172.5	-57.1	172.7	0	0	0	108.3	M224 V225 L248 I347 V348 I349 A350 R370 I372	M224-I246 HydrophobicContact CB-CD1 3.89Å; M224-I246 HydrophobicContact CE-CD1 4.4Å; V225-I246 HydrophobicContact CG2-CD1 3.46Å; V225-I246 VanDerWaalsContact CG2-CD1 3.46Å; I246-L248 HydrophobicContact CG2-CD2 3.94Å; I246-I347 HydrophobicContact CD1-CG2 4.48Å; I246-V348 PolarHBondContact N-O 3.2Å; I246-I349 HydrophobicContact CB-CG1 4.35Å; I246-I349 CarbonylContact O-C 3.49Å; I246-I349 WeakPolarHBondContact O-CA 3.44Å; I246-A350 PolarHBondContact O-N 2.83Å; I246-R370 CarbonylContact C-O 3.56Å; I246-R370 WeakPolarHBondContact CA-O 3.25Å; I246-R370 HydrophobicContact CG1-CB 4.35Å; I246-I372 HydrophobicContact CG2-CD1 3.63Å; I246-I372 HydrophobicContact CG2-CG1 4.03Å
247	L	94.6	Very high	87	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.3	174.3	-176.9	69.4	0	0	0	109.7	I311 A350 T352 I358 F368 R370 E371 I372	L247-I311 HydrophobicContact CD1-CG2 4.08Å; L247-A350 CarbonylContact C-O 3.57Å; L247-A350 WeakPolarHBondContact CA-O 3.41Å; L247-A350 HydrophobicContact CD1-CB 3.96Å; L247-T352 HydrophobicContact CD1-CG2 4.09Å; L247-I358 HydrophobicContact CD2-CD1 3.52Å; L247-F368 HydrophobicContact CB-CB 4.06Å; L247-F368 HydrophobicContact CB-CD1 4.28Å; L247-F368 HydrophobicContact CB-CG 4.33Å; L247-R370 PolarHBondContact N-O 3.47Å; L247-E371 HydrophobicContact CB-CG 4.35Å; L247-E371 HydrophobicContact CD2-CG 4.24Å; L247-E371 CarbonylContact O-C 3.46Å; L247-E371 WeakPolarHBondContact O-CA 3.42Å; L247-I372 PolarHBondContact O-N 3.31Å
248	L	94.6	Very high	87.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.9	169.7	-53	-175.5	0	0	0	108.7	I221 I246 K256 F307 I349 A350 A351 T352 I372 I374	I221-L248 HydrophobicContact CD1-CD2 3.95Å; I246-L248 HydrophobicContact CG2-CD2 3.94Å; L248-K256 HydrophobicContact CB-CB 4.43Å; L248-K256 HydrophobicContact CB-CD 4.24Å; L248-K256 HydrophobicContact CB-CG 4.3Å; L248-K256 HydrophobicContact CD1-CB 4.47Å; L248-F307 HydrophobicContact CD1-CE2 4.4Å; L248-I349 HydrophobicContact CD1-CG2 3.8Å; L248-I349 HydrophobicContact CG-CG2 3.87Å; L248-A350 PolarHBondContact N-O 3.03Å; L248-A351 CarbonylContact O-C 3.5Å; L248-A351 VanDerWaalsContact O-CA 3.27Å; L248-A351 WeakPolarHBondContact O-CA 3.46Å; L248-T352 PolarHBondContact O-N 3.36Å; L248-I372 WeakPolarHBondContact CA-O 3.47Å; L248-I372 HydrophobicContact CD2-CB 3.9Å; L248-I372 HydrophobicContact CD2-CD1 4Å; L248-I372 HydrophobicContact CD2-CG1 4.33Å; L248-I374 HydrophobicContact CB-CG1 4.26Å; L248-I374 HydrophobicContact CD2-CD1 4.43Å; L248-I374 HydrophobicContact CD2-CG1 4.47Å
249	Y	90	Very high	87.9	Confident	60 Å²	60	37.9 Å²	37.9	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.9	175.5	69.7	-86.6	0	0	0	111.4	T352 P355 E371 I372 D373 I374	Y249-T352 VanDerWaalsContact CA-O 3.3Å; Y249-T352 WeakPolarHBondContact CA-O 3.44Å; Y249-P355 HydrophobicContact CD2-CB 4.38Å; Y249-P355 HydrophobicContact CD2-CG 3.96Å; Y249-P355 HydrophobicContact CG-CB 4.3Å; Y249-P355 HydrophobicContact CG-CG 4.33Å; Y249-E371 HydrophobicContact CD1-CB 4.3Å; Y249-E371 HydrophobicContact CE1-CB 3.89Å; Y249-I372 WeakPolarHBondContact CD1-O 3.35Å; Y249-I372 PolarHBondContact N-O 2.9Å; Y249-D373 HydrophobicContact CE1-CB 4.16Å; Y249-D373 HydrophobicContact CE2-CB 3.79Å; Y249-I374 PolarHBondContact O-N 3.22Å
250	G	84.8	Confident	88.5	Confident	8 Å²	8	34.8 Å²	34.8	8%	0.082	20%	0.195	C	C	.	.	S	Bend	trans	147.1	177.6	179.5	0	0	0	0	0	111.4	K256 T352 N353	G250-K256 PolarHBondContact O-NZ 2.92Å; G250-T352 PolarHBondContact N-O 2.74Å; G250-N353 WeakPolarHBondContact O-CA 3.34Å; G250-N353 PolarHBondContact O-OD1 3.47Å
251	P	81.9	Confident	88.9	Confident	23 Å²	23	34.1 Å²	34.1	15%	0.149	19%	0.185	C	C	.	.	S	Bend	trans	-57.3	157.6	-179.1	-23.7	34.2	0	0	0	113.6	K256 I376 A468	P251-K256 PolarHBondContact O-NZ 3.02Å; P251-I376 HydrophobicContact CG-CG1 4.1Å; P251-A468 HydrophobicContact CB-CB 3.96Å; P251-A468 HydrophobicContact CG-CB 4.37Å
252	P	85.9	Confident	89.4	Confident	65 Å²	65	26.6 Å²	26.6	42%	0.422	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	145.7	172.3	28.2	-34.5	0	0	0	110.3	C254 N353	P252-C254 PolarHBondContact O-N 3.41Å; P252-N353 WeakPolarHBondContact CA-OD1 3.42Å
253	G	88.1	Confident	89.7	Confident	32 Å²	32	24.8 Å²	24.8	33%	0.33	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	1.6	176.4	0	0	0	0	0	116.4	G255 G413 A414	G253-G255 PolarHBondContact O-N 2.84Å; G253-G413 PolarHBondContact O-N 3.19Å; G253-A414 PolarHBondContact O-N 3.29Å
254	C	87.9	Confident	90	Very high	11 Å²	11	23.7 Å²	23.7	7%	0.074	13%	0.134	C	C	.	.	S	Bend	trans	-78.3	1.9	174.2	-57.3	0	0	0	0	114.8	P252 I374 V412	P252-C254 PolarHBondContact O-N 3.41Å; C254-I374 HydrophobicContact CB-CG2 3.78Å; C254-V412 VanDerWaalsContact SG-CG1 3.52Å
255	G	90.7	Very high	89.9	Confident	26 Å²	26	23.2 Å²	23.2	27%	0.268	14%	0.135	S	C	.	.			trans	89.5	21.5	174.6	0	0	0	0	0	116.4	G253 T257 L258 I259	G253-G255 PolarHBondContact O-N 2.84Å; G255-T257 VanDerWaalsContact C-N 3.34Å; G255-T257 PolarHBondContact O-N 3.32Å; G255-L258 WeakPolarHBondContact O-CB 3.46Å; G255-L258 PolarHBondContact O-N 3.49Å; G255-I259 WeakPolarHBondContact O-CG1 3.49Å; G255-I259 PolarHBondContact O-N 3.23Å
256	K	92.3	Very high	89.4	Confident	11 Å²	11	23.9 Å²	23.9	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-50.6	-48.9	177.6	-64.9	-174.3	-72.7	-86.3	0	113.1	L248 G250 P251 A260 A351 N353 I374	L248-K256 HydrophobicContact CB-CB 4.43Å; L248-K256 HydrophobicContact CB-CD 4.24Å; L248-K256 HydrophobicContact CB-CG 4.3Å; L248-K256 HydrophobicContact CD1-CB 4.47Å; G250-K256 PolarHBondContact O-NZ 2.92Å; P251-K256 PolarHBondContact O-NZ 3.02Å; K256-A260 PolarHBondContact O-N 3.27Å; K256-A351 HydrophobicContact CB-CB 3.97Å; K256-A351 HydrophobicContact CD-CB 4.08Å; K256-N353 WeakPolarHBondContact CE-OD1 3.35Å; K256-N353 PolarHBondContact NZ-OD1 3.37Å; K256-I374 HydrophobicContact CG-CB 4.02Å; K256-I374 HydrophobicContact CG-CG1 4.06Å; K256-I374 HydrophobicContact CG-CG2 4.29Å
257	T	91.5	Very high	88.9	Confident	44 Å²	44	24.3 Å²	24.3	27%	0.27	14%	0.141	S	C	.	.	H	α-helix	trans	-67.3	-36.3	178.2	-41.9	0	0	0	0	112.2	G255 A260 R261 F307 D309	G255-T257 VanDerWaalsContact C-N 3.34Å; G255-T257 PolarHBondContact O-N 3.32Å; T257-A260 PolarHBondContact O-N 3.41Å; T257-R261 PolarHBondContact O-N 2.66Å; T257-R261 VanDerWaalsContact O-N 3.15Å; T257-F307 HydrophobicContact CG2-CD1 4.37Å; T257-F307 HydrophobicContact CG2-CE1 3.72Å; T257-F307 HydrophobicContact CG2-CZ 4.37Å; T257-D309 PolarHBondContact OG1-OD2 3.31Å
258	L	92.6	Very high	88.3	Confident	67 Å²	67	26.7 Å²	26.7	35%	0.351	17%	0.165	S	C	.	.	H	α-helix	trans	-67.5	-43	179.4	-165.4	159.3	0	0	0	110.5	V206 I211 G255 A260 R261 A262	V206-L258 HydrophobicContact CG1-CD2 3.45Å; V206-L258 VanDerWaalsContact CG1-CD2 3.45Å; V206-L258 HydrophobicContact CG1-CG 3.76Å; I211-L258 HydrophobicContact CD1-CD2 3.98Å; I211-L258 HydrophobicContact CG1-CD2 3.38Å; G255-L258 WeakPolarHBondContact O-CB 3.46Å; G255-L258 PolarHBondContact O-N 3.49Å; L258-A260 PolarHBondContact O-N 3.22Å; L258-R261 PolarHBondContact O-N 3.36Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 3.2Å
259	I	92.5	Very high	87.9	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-49.3	174.7	-68.1	165.3	0	0	0	111.4	I211 C214 L218 I221 G255 R261 A262 V263 I374	I211-I259 HydrophobicContact CD1-CB 4.38Å; I211-I259 HydrophobicContact CD1-CG1 4.04Å; I211-I259 HydrophobicContact CG2-CG1 4.23Å; C214-I259 HydrophobicContact CB-CD1 4.42Å; L218-I259 HydrophobicContact CD2-CG2 3.96Å; I221-I259 HydrophobicContact CD1-CG2 3.42Å; I221-I259 VanDerWaalsContact CD1-CG2 3.42Å; G255-I259 WeakPolarHBondContact O-CG1 3.49Å; G255-I259 PolarHBondContact O-N 3.23Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 3.19Å; I259-A262 PolarHBondContact O-N 3.17Å; I259-V263 HydrophobicContact CG2-CG2 4.41Å; I259-V263 WeakPolarHBondContact O-CG2 3.41Å; I259-V263 PolarHBondContact O-N 2.67Å; I259-I374 HydrophobicContact CD1-CD1 3.76Å; I259-I374 HydrophobicContact CD1-CG1 4.14Å; I259-I374 HydrophobicContact CD1-CG2 3.93Å
260	A	91.9	Very high	87.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-39.6	-178.8	0	0	0	0	0	112.5	K256 T257 L258 A264 F271 F307 I349	K256-A260 PolarHBondContact O-N 3.27Å; T257-A260 PolarHBondContact O-N 3.41Å; L258-A260 PolarHBondContact O-N 3.22Å; A260-A264 PolarHBondContact O-N 3.35Å; A260-F271 HydrophobicContact CB-CE2 4.15Å; A260-F307 HydrophobicContact CB-CB 4.39Å; A260-F307 HydrophobicContact CB-CD2 3.16Å; A260-F307 HydrophobicContact CB-CE2 3.4Å; A260-F307 VanDerWaalsContact CB-CE2 3.4Å; A260-F307 HydrophobicContact CB-CG 3.78Å; A260-F307 HydrophobicContact CB-CZ 4.19Å; A260-I349 HydrophobicContact CB-CG2 4.39Å
261	R	91.2	Very high	88.2	Confident	91 Å²	91	29 Å²	29	34%	0.343	18%	0.177	S	C	.	.	H	α-helix	trans	-64.8	-46.2	176.5	-172	-179.9	-61.8	-82.9	0.2	111.8	V206 T257 L258 I259 V263 A264 N265 F271	V206-R261 HydrophobicContact CB-CG 4.43Å; T257-R261 PolarHBondContact O-N 2.66Å; T257-R261 VanDerWaalsContact O-N 3.15Å; L258-R261 PolarHBondContact O-N 3.36Å; I259-R261 VanDerWaalsContact C-N 3.32Å; I259-R261 PolarHBondContact O-N 3.19Å; R261-V263 VanDerWaalsContact C-N 3.35Å; R261-V263 PolarHBondContact O-N 3.46Å; R261-A264 PolarHBondContact O-N 2.86Å; R261-N265 PolarHBondContact O-N 2.63Å; R261-F271 HydrophobicContact CB-CZ 4.34Å
262	A	89	Confident	88.8	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-44	177.9	0	0	0	0	0	112.5	V206 G207 Y208 I211 L258 I259 A264 N265 E266	V206-A262 HydrophobicContact CG1-CB 4.06Å; V206-A262 WeakPolarHBondContact O-CA 3.13Å; G207-A262 WeakPolarHBondContact O-CB 3.39Å; Y208-A262 HydrophobicContact CD1-CB 4.24Å; I211-A262 HydrophobicContact CD1-CB 3.43Å; I211-A262 VanDerWaalsContact CD1-CB 3.43Å; I211-A262 HydrophobicContact CG1-CB 4.32Å; L258-A262 WeakPolarHBondContact O-CB 3.37Å; L258-A262 PolarHBondContact O-N 3.2Å; I259-A262 PolarHBondContact O-N 3.17Å; A262-A264 VanDerWaalsContact C-N 3.3Å; A262-A264 PolarHBondContact O-N 3.45Å; A262-N265 PolarHBondContact O-N 2.76Å; A262-E266 WeakPolarHBondContact O-CB 2.75Å; A262-E266 WeakPolarHBondContact O-CG 3.21Å; A262-E266 PolarHBondContact O-N 2.76Å
263	V	89.3	Confident	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-40.6	178	175.1	0	0	0	0	111.1	Y208 I221 V225 I259 R261 T267 I305	Y208-V263 HydrophobicContact CE1-CB 4.4Å; Y208-V263 HydrophobicContact CE1-CG2 3.75Å; I221-V263 HydrophobicContact CG2-CG1 4.23Å; I221-V263 HydrophobicContact CG2-CG2 3.62Å; V225-V263 HydrophobicContact CB-CG1 3.94Å; V225-V263 HydrophobicContact CG1-CG1 3.52Å; V225-V263 HydrophobicContact CG2-CG1 4.41Å; I259-V263 HydrophobicContact CG2-CG2 4.41Å; I259-V263 WeakPolarHBondContact O-CG2 3.41Å; I259-V263 PolarHBondContact O-N 2.67Å; R261-V263 VanDerWaalsContact C-N 3.35Å; R261-V263 PolarHBondContact O-N 3.46Å; V263-T267 HydrophobicContact CG1-CG2 4.38Å; V263-T267 WeakPolarHBondContact O-CB 3.46Å; V263-T267 VanDerWaalsContact O-CG2 3.23Å; V263-T267 WeakPolarHBondContact O-CG2 3.48Å; V263-T267 PolarHBondContact O-N 3.07Å; V263-T267 PolarHBondContact O-OG1 2.86Å; V263-I305 HydrophobicContact CG1-CD1 4.01Å
264	A	88.6	Confident	89.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-46.5	178.2	0	0	0	0	0	112.2	A260 R261 A262 T267 G268 A269 F271 I305	A260-A264 PolarHBondContact O-N 3.35Å; R261-A264 PolarHBondContact O-N 2.86Å; A262-A264 VanDerWaalsContact C-N 3.3Å; A262-A264 PolarHBondContact O-N 3.45Å; A264-T267 PolarHBondContact O-N 2.89Å; A264-T267 PolarHBondContact O-OG1 3.11Å; A264-G268 WeakPolarHBondContact O-CA 3.5Å; A264-G268 PolarHBondContact O-N 2.86Å; A264-A269 PolarHBondContact O-N 2.83Å; A264-A269 VanDerWaalsContact O-N 3.09Å; A264-F271 HydrophobicContact CB-CB 3.7Å; A264-F271 HydrophobicContact CB-CD2 3.47Å; A264-F271 VanDerWaalsContact CB-CD2 3.47Å; A264-F271 HydrophobicContact CB-CE2 4.4Å; A264-F271 HydrophobicContact CB-CG 3.9Å; A264-I305 HydrophobicContact CB-CD1 3.95Å
265	N	85.7	Confident	89.4	Confident	44 Å²	44	31.1 Å²	31.1	24%	0.235	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-44.8	178.9	-68.6	-14	0	0	0	111.8	V206 R261 A262 G268	V206-N265 PolarHBondContact N-ND2 2.79Å; V206-N265 WeakPolarHBondContact O-CB 3.32Å; V206-N265 PolarHBondContact O-ND2 2.81Å; R261-N265 PolarHBondContact O-N 2.63Å; A262-N265 PolarHBondContact O-N 2.76Å; N265-G268 PolarHBondContact O-N 2.91Å
266	E	81.4	Confident	89.2	Confident	14 Å²	14	29.9 Å²	29.9	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-70.5	-35.3	-179.6	-74.5	-77	-176	0	0	112.7	R94 R100 Y208 A262 G268	R94-E266 IonicContact NH2-OE1 3.72Å; R94-E266 PolarHBondContact NH2-OE1 3.47Å; R94-E266 IonicContact NH2-OE2 3.12Å; R100-E266 WeakPolarHBondContact CB-O 3.22Å; R100-E266 WeakPolarHBondContact CD-O 3.4Å; R100-E266 WeakPolarHBondContact CG-O 3.41Å; Y208-E266 HydrophobicContact CD1-CG 4.35Å; Y208-E266 HydrophobicContact CD2-CB 3.91Å; Y208-E266 HydrophobicContact CD2-CG 3.47Å; Y208-E266 VanDerWaalsContact CD2-CG 3.47Å; Y208-E266 HydrophobicContact CE1-CB 4.39Å; Y208-E266 HydrophobicContact CE1-CG 4.37Å; Y208-E266 HydrophobicContact CE2-CB 3.35Å; Y208-E266 HydrophobicContact CE2-CG 3.5Å; Y208-E266 HydrophobicContact CG-CG 3.92Å; A262-E266 WeakPolarHBondContact O-CB 2.75Å; A262-E266 WeakPolarHBondContact O-CG 3.21Å; A262-E266 PolarHBondContact O-N 2.76Å; E266-G268 VanDerWaalsContact C-N 3.33Å
267	T	82.7	Confident	88.8	Confident	11 Å²	11	32.2 Å²	32.2	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-76.8	-21.7	174.4	57.2	0	0	0	0	112.7	E226 R230 V263 A264 A269	E226-T267 HydrophobicContact CB-CG2 4.3Å; E226-T267 HydrophobicContact CG-CG2 4.23Å; R230-T267 PolarHBondContact NH2-O 2.78Å; V263-T267 HydrophobicContact CG1-CG2 4.38Å; V263-T267 WeakPolarHBondContact O-CB 3.46Å; V263-T267 VanDerWaalsContact O-CG2 3.23Å; V263-T267 WeakPolarHBondContact O-CG2 3.48Å; V263-T267 PolarHBondContact O-N 3.07Å; V263-T267 PolarHBondContact O-OG1 2.86Å; A264-T267 PolarHBondContact O-N 2.89Å; A264-T267 PolarHBondContact O-OG1 3.11Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 WeakPolarHBondContact OG1-CB 3.48Å
268	G	81.1	Confident	88.3	Confident	49 Å²	49	36.4 Å²	36.4	51%	0.505	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	21	-171.7	0	0	0	0	0	113.1	A264 N265 E266	A264-G268 WeakPolarHBondContact O-CA 3.5Å; A264-G268 PolarHBondContact O-N 2.86Å; N265-G268 PolarHBondContact O-N 2.91Å; E266-G268 VanDerWaalsContact C-N 3.33Å
269	A	86.1	Confident	87.8	Confident	11 Å²	11	33.5 Å²	33.5	9%	0.091	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-82	147.7	178.1	0	0	0	0	0	110.7	L229 A264 T267 F271 P303 I305	L229-A269 HydrophobicContact CD1-CB 4.05Å; A264-A269 PolarHBondContact O-N 2.83Å; A264-A269 VanDerWaalsContact O-N 3.09Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 WeakPolarHBondContact OG1-CB 3.48Å; A269-F271 PolarHBondContact O-N 3.42Å; A269-P303 WeakPolarHBondContact CA-O 3.48Å; A269-I305 HydrophobicContact CB-CD1 4.37Å; A269-I305 HydrophobicContact CB-CG1 4.15Å
270	F	90.2	Very high	86.9	Confident	71 Å²	71	37 Å²	37	31%	0.311	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	122.6	174.5	175.8	-102.6	0	0	0	110.3	F272 E297 N301 P303 S304 I305	F270-F272 HydrophobicContact CE1-CB 3.96Å; F270-F272 AromaticContact CE1-CD2 3.88Å; F270-F272 HydrophobicContact CE1-CD2 3.88Å; F270-F272 HydrophobicContact CE1-CG 4.39Å; F270-F272 HydrophobicContact CZ-CD2 4.07Å; F270-E297 HydrophobicContact CE1-CG 4.37Å; F270-E297 HydrophobicContact CZ-CG 4.46Å; F270-N301 HydrophobicContact CB-CB 3.77Å; F270-N301 WeakPolarHBondContact CB-O 3.32Å; F270-N301 HydrophobicContact CD1-CB 3.54Å; F270-N301 HydrophobicContact CD2-CB 3.99Å; F270-N301 HydrophobicContact CE1-CB 4.06Å; F270-N301 HydrophobicContact CE2-CB 4.47Å; F270-N301 HydrophobicContact CG-CB 3.48Å; F270-N301 VanDerWaalsContact CG-CB 3.48Å; F270-N301 HydrophobicContact CZ-CB 4.49Å; F270-N301 WeakPolarHBondContact CZ-ND2 3.22Å; F270-P303 PolarHBondContact N-O 3.48Å; F270-S304 CarbonylContact O-C 3.6Å; F270-S304 WeakPolarHBondContact O-CA 3.28Å; F270-S304 WeakPolarHBondContact O-CB 3.36Å; F270-I305 PolarHBondContact O-N 2.75Å
271	F	92.1	Very high	85.8	Confident	36 Å²	36	38.7 Å²	38.7	16%	0.158	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122	-179.5	-173	-108.5	0	0	0	111	A260 R261 A264 A269 L273 I305 F307	A260-F271 HydrophobicContact CB-CE2 4.15Å; R261-F271 HydrophobicContact CB-CZ 4.34Å; A264-F271 HydrophobicContact CB-CB 3.7Å; A264-F271 HydrophobicContact CB-CD2 3.47Å; A264-F271 VanDerWaalsContact CB-CD2 3.47Å; A264-F271 HydrophobicContact CB-CE2 4.4Å; A264-F271 HydrophobicContact CB-CG 3.9Å; A269-F271 PolarHBondContact O-N 3.42Å; F271-L273 HydrophobicContact CE1-CB 4.02Å; F271-I305 HydrophobicContact CD2-CB 4.4Å; F271-I305 HydrophobicContact CD2-CG2 4.33Å; F271-I305 HydrophobicContact CE2-CG2 4.48Å; F271-F307 HydrophobicContact CE2-CB 3.59Å; F271-F307 HydrophobicContact CE2-CG 4.29Å; F271-F307 HydrophobicContact CZ-CB 3.66Å; F271-F307 HydrophobicContact CZ-CD1 4.31Å; F271-F307 HydrophobicContact CZ-CG 4.13Å
272	F	93.2	Very high	84.4	Confident	43 Å²	43	44.8 Å²	44.8	19%	0.189	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.6	174.3	-162.9	-89.8	0	0	0	110.2	F270 L274 A294 E297 C298 I305 L306 F307	F270-F272 HydrophobicContact CE1-CB 3.96Å; F270-F272 AromaticContact CE1-CD2 3.88Å; F270-F272 HydrophobicContact CE1-CD2 3.88Å; F270-F272 HydrophobicContact CE1-CG 4.39Å; F270-F272 HydrophobicContact CZ-CD2 4.07Å; F272-L274 HydrophobicContact CE1-CD1 4.34Å; F272-A294 HydrophobicContact CD1-CB 4.04Å; F272-A294 HydrophobicContact CE1-CB 3.47Å; F272-A294 VanDerWaalsContact CE1-CB 3.47Å; F272-A294 HydrophobicContact CZ-CB 4.18Å; F272-E297 HydrophobicContact CD2-CG 4.36Å; F272-E297 HydrophobicContact CE2-CG 4.19Å; F272-E297 VanDerWaalsContact CE2-OE2 3.28Å; F272-E297 WeakPolarHBondContact CE2-OE2 3.2Å; F272-C298 WeakPolarHBondContact CB-SG 3.48Å; F272-I305 PolarHBondContact N-O 2.96Å; F272-L306 HydrophobicContact CB-CD1 4.25Å; F272-L306 HydrophobicContact CD1-CD1 3.65Å; F272-L306 HydrophobicContact CG-CD1 4.39Å; F272-F307 PolarHBondContact O-N 2.99Å
273	L	93.2	Very high	83.4	Confident	72 Å²	72	50.4 Å²	50.4	38%	0.377	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.3	178.6	175.3	62.4	0	0	0	109.9	F271 F307	F271-L273 HydrophobicContact CE1-CB 4.02Å; L273-F307 HydrophobicContact CD1-CD1 3.53Å; L273-F307 HydrophobicContact CD1-CE1 4.17Å
274	L	92.2	Very high	82.5	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.063	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.6	173.4	-166.1	75.2	0	0	0	109.1	F272 I279 L291 A294 L306 F307 I308 D309	F272-L274 HydrophobicContact CE1-CD1 4.34Å; L274-I279 HydrophobicContact CD1-CD1 3.44Å; L274-I279 VanDerWaalsContact CD1-CD1 3.44Å; L274-I279 HydrophobicContact CD1-CG1 3.81Å; L274-I279 HydrophobicContact CD2-CD1 4.19Å; L274-I279 HydrophobicContact CD2-CG1 3.98Å; L274-I279 HydrophobicContact CG-CD1 4.02Å; L274-I279 HydrophobicContact CG-CG1 3.81Å; L274-L291 HydrophobicContact CD2-CD1 3.51Å; L274-A294 HydrophobicContact CD1-CB 4.11Å; L274-L306 HydrophobicContact CB-CD1 4.3Å; L274-F307 PolarHBondContact N-O 2.86Å; L274-I308 HydrophobicContact CB-CG1 4.42Å; L274-I308 HydrophobicContact CD2-CG1 4.19Å; L274-I308 CarbonylContact O-C 3.56Å; L274-I308 WeakPolarHBondContact O-CA 3.32Å; L274-D309 PolarHBondContact O-N 3.46Å
275	N	90.7	Very high	82	Confident	48 Å²	48	55.1 Å²	55.1	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.7	177.8	-157.1	-8	0	0	0	110.2	P277 E278 I279	N275-P277 WeakPolarHBondContact OD1-CD 3.5Å; N275-E278 HydrophobicContact CB-CB 4.14Å; N275-E278 VanDerWaalsContact CB-CD 3.42Å; N275-E278 HydrophobicContact CB-CG 3.8Å; N275-E278 WeakPolarHBondContact CB-OE1 3.29Å; N275-E278 PolarHBondContact ND2-OE1 3.14Å; N275-E278 WeakPolarHBondContact O-CB 3.01Å; N275-E278 PolarHBondContact O-N 2.89Å; N275-I279 PolarHBondContact O-N 2.94Å
276	G	85.4	Confident	82	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-50.9	-52.8	-177.1	0	0	0	0	0	113.7	E278 I279 D309 I314	G276-E278 VanDerWaalsContact C-N 3.29Å; G276-E278 PolarHBondContact O-N 2.98Å; G276-I279 PolarHBondContact O-N 2.83Å; G276-D309 WeakPolarHBondContact CA-O 3.46Å; G276-D309 PolarHBondContact N-O 3.32Å; G276-I314 WeakPolarHBondContact O-CG2 3.41Å
277	P	84.1	Confident	82.2	Confident	61 Å²	61	56.5 Å²	56.5	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-30.8	177	-26.8	35.6	0	0	0	114.9	N275 I279 M280 E310	N275-P277 WeakPolarHBondContact OD1-CD 3.5Å; P277-I279 VanDerWaalsContact C-N 3.26Å; P277-I279 PolarHBondContact O-N 3.42Å; P277-M280 PolarHBondContact O-N 2.78Å; P277-M280 VanDerWaalsContact O-N 3.17Å; P277-E310 WeakPolarHBondContact CD-OE2 3.49Å; P277-E310 WeakPolarHBondContact CG-OE2 3.44Å
278	E	82.2	Confident	82.4	Confident	132 Å²	132	57.8 Å²	57.8	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-68.9	-27.2	179.9	-71	171.5	-162.1	0	0	112.4	N275 G276 M280	N275-E278 HydrophobicContact CB-CB 4.14Å; N275-E278 VanDerWaalsContact CB-CD 3.42Å; N275-E278 HydrophobicContact CB-CG 3.8Å; N275-E278 WeakPolarHBondContact CB-OE1 3.29Å; N275-E278 PolarHBondContact ND2-OE1 3.14Å; N275-E278 WeakPolarHBondContact O-CB 3.01Å; N275-E278 PolarHBondContact O-N 2.89Å; G276-E278 VanDerWaalsContact C-N 3.29Å; G276-E278 PolarHBondContact O-N 2.98Å; E278-M280 VanDerWaalsContact C-N 3.32Å
279	I	80.9	Confident	82.8	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-75.8	-25.4	175.1	-64.8	-66	0	0	0	111.6	L274 N275 G276 P277 S281 S287 N290 I314	L274-I279 HydrophobicContact CD1-CD1 3.44Å; L274-I279 VanDerWaalsContact CD1-CD1 3.44Å; L274-I279 HydrophobicContact CD1-CG1 3.81Å; L274-I279 HydrophobicContact CD2-CD1 4.19Å; L274-I279 HydrophobicContact CD2-CG1 3.98Å; L274-I279 HydrophobicContact CG-CD1 4.02Å; L274-I279 HydrophobicContact CG-CG1 3.81Å; N275-I279 PolarHBondContact O-N 2.94Å; G276-I279 PolarHBondContact O-N 2.83Å; P277-I279 VanDerWaalsContact C-N 3.26Å; P277-I279 PolarHBondContact O-N 3.42Å; I279-S281 PolarHBondContact O-N 3.38Å; I279-S287 WeakPolarHBondContact O-CB 3.4Å; I279-S287 PolarHBondContact O-OG 3.02Å; I279-N290 HydrophobicContact CD1-CB 3.84Å; I279-I314 HydrophobicContact CB-CG2 4Å; I279-I314 HydrophobicContact CG2-CG2 4.13Å
280	M	74.5	Confident	82.9	Confident	74 Å²	74	59.5 Å²	59.5	37%	0.365	32%	0.317	S	S	.	.			trans	-77.2	64.7	177.4	-64.3	-65	-75.9	0	0	110.8	P277 E278 I314 E326 I329	P277-M280 PolarHBondContact O-N 2.78Å; P277-M280 VanDerWaalsContact O-N 3.17Å; E278-M280 VanDerWaalsContact C-N 3.32Å; M280-I314 HydrophobicContact CG-CG2 4.37Å; M280-E326 HydrophobicContact CE-CG 3.84Å; M280-I329 HydrophobicContact SD-CD1 3.72Å
281	S	67.7	Low	82.9	Confident	38 Å²	38	56.1 Å²	56.1	27%	0.266	30%	0.302	S	S	.	.			trans	-76.5	158.4	173.5	90.4	0	0	0	0	111.5	I279 L283 E286	I279-S281 PolarHBondContact O-N 3.38Å; S281-L283 PolarHBondContact O-N 3.04Å; S281-E286 PolarHBondContact OG-OE2 2.73Å
282	K	61.8	Low	82.9	Confident	219 Å²	219	59.3 Å²	59.3	95%	0.952	31%	0.313	S	S	*	.	S	Bend	trans	-67.9	-15.7	-179	-67.8	-177.9	-179.8	177.4	0	113.5
283	L	68.6	Low	82.8	Confident	117 Å²	117	62.9 Å²	62.9	61%	0.613	33%	0.328	S	S	*	.	S	Bend	trans	-102.3	115.4	-172.7	-68.3	165.6	0	0	0	110.5	S281 G285 E286	S281-L283 PolarHBondContact O-N 3.04Å; L283-G285 PolarHBondContact O-N 3.37Å; L283-E286 HydrophobicContact CB-CB 4.24Å; L283-E286 WeakPolarHBondContact O-CB 3.45Å; L283-E286 PolarHBondContact O-N 3.35Å
284	A	69.6	Low	82.7	Confident	72 Å²	72	59.5 Å²	59.5	60%	0.595	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	128.6	175	0	0	0	0	0	111.4
285	G	79	Confident	82.8	Confident	27 Å²	27	59.3 Å²	59.3	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-24.1	179	0	0	0	0	0	114.8	L283 E288 S289	L283-G285 PolarHBondContact O-N 3.37Å; G285-E288 PolarHBondContact O-N 3.25Å; G285-S289 PolarHBondContact O-N 3.32Å; G285-S289 VanDerWaalsContact O-N 3.17Å
286	E	85.2	Confident	82.8	Confident	86 Å²	86	61.1 Å²	61.1	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-68.9	-41.6	175.5	-171.6	-177.8	-154.5	0	0	111.2	S281 L283 E288 S289 N290	S281-E286 PolarHBondContact OG-OE2 2.73Å; L283-E286 HydrophobicContact CB-CB 4.24Å; L283-E286 WeakPolarHBondContact O-CB 3.45Å; L283-E286 PolarHBondContact O-N 3.35Å; E286-E288 VanDerWaalsContact C-N 3.3Å; E286-E288 PolarHBondContact O-N 3.44Å; E286-S289 WeakPolarHBondContact O-CB 3.35Å; E286-S289 PolarHBondContact O-N 2.88Å; E286-S289 VanDerWaalsContact O-N 3.13Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 VanDerWaalsContact O-CG 3.31Å; E286-N290 PolarHBondContact O-N 3.08Å
287	S	85.3	Confident	83.1	Confident	1 Å²	1	65 Å²	65	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-53.2	-45.1	174	-52.2	0	0	0	0	112.9	I279 L291	I279-S287 WeakPolarHBondContact O-CB 3.4Å; I279-S287 PolarHBondContact O-OG 3.02Å; S287-L291 WeakPolarHBondContact O-CB 3.28Å; S287-L291 PolarHBondContact O-N 3.49Å
288	E	87.6	Confident	83.5	Confident	38 Å²	38	62.1 Å²	62.1	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-69	-37.5	-179.7	-64.9	149.7	-169.7	0	0	111.3	G285 E286 R292 R328 I329 Q332	G285-E288 PolarHBondContact O-N 3.25Å; E286-E288 VanDerWaalsContact C-N 3.3Å; E286-E288 PolarHBondContact O-N 3.44Å; E288-R292 PolarHBondContact O-N 2.89Å; E288-R292 VanDerWaalsContact O-N 3.09Å; E288-R328 WeakPolarHBondContact OE1-CB 3.15Å; E288-R328 IonicContact OE1-CZ 3.62Å; E288-R328 IonicContact OE1-NE 2.79Å; E288-R328 PolarHBondContact OE1-NE 3.15Å; E288-R328 IonicContact OE1-NH2 3.62Å; E288-I329 HydrophobicContact CG-CG1 4.44Å; E288-Q332 HydrophobicContact CB-CG 4.24Å; E288-Q332 HydrophobicContact CG-CB 4.41Å; E288-Q332 HydrophobicContact CG-CG 4.48Å
289	S	89.2	Confident	83.9	Confident	50 Å²	50	59.8 Å²	59.8	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-45.3	175.7	-172.7	0	0	0	0	111.7	G285 E286 L291 R292 K293	G285-S289 PolarHBondContact O-N 3.32Å; G285-S289 VanDerWaalsContact O-N 3.17Å; E286-S289 WeakPolarHBondContact O-CB 3.35Å; E286-S289 PolarHBondContact O-N 2.88Å; E286-S289 VanDerWaalsContact O-N 3.13Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.2Å; S289-R292 PolarHBondContact O-N 3.33Å; S289-K293 WeakPolarHBondContact O-CG 3.43Å; S289-K293 PolarHBondContact O-N 3.46Å
290	N	88.5	Confident	84.4	Confident	46 Å²	46	67.1 Å²	67.1	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-42.8	177.6	-70.8	-10.2	0	0	0	111.2	I279 E286 R292 K293 A294	I279-N290 HydrophobicContact CD1-CB 3.84Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 VanDerWaalsContact O-CG 3.31Å; E286-N290 PolarHBondContact O-N 3.08Å; N290-R292 VanDerWaalsContact C-N 3.34Å; N290-R292 PolarHBondContact O-N 2.97Å; N290-K293 PolarHBondContact O-N 3.48Å; N290-A294 PolarHBondContact O-N 2.86Å
291	L	90.3	Very high	85.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-41.3	174.8	-171.3	66.1	0	0	0	112	L274 S287 S289 A294 F295 Q332 L333 L336	L274-L291 HydrophobicContact CD2-CD1 3.51Å; S287-L291 WeakPolarHBondContact O-CB 3.28Å; S287-L291 PolarHBondContact O-N 3.49Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.2Å; L291-A294 PolarHBondContact O-N 2.97Å; L291-F295 HydrophobicContact CD1-CD2 4.46Å; L291-F295 HydrophobicContact CD1-CE2 4.12Å; L291-F295 HydrophobicContact CG-CE2 4.44Å; L291-F295 WeakPolarHBondContact O-CD2 3.33Å; L291-F295 PolarHBondContact O-N 2.93Å; L291-Q332 HydrophobicContact CD2-CG 4.29Å; L291-L333 HydrophobicContact CD1-CD1 4.22Å; L291-L333 HydrophobicContact CD2-CB 3.8Å; L291-L333 HydrophobicContact CD2-CD1 4.08Å; L291-L336 HydrophobicContact CB-CD1 4.39Å; L291-L336 HydrophobicContact CD2-CD1 3.86Å; L291-L336 HydrophobicContact CG-CD1 3.64Å
292	R	91.4	Very high	86	Confident	104 Å²	104	67.3 Å²	67.3	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176.4	-167.8	-175.2	-51.2	-79.4	-6.1	112.1	E288 S289 N290 A294 F295 E296 Q332 L336	E288-R292 PolarHBondContact O-N 2.89Å; E288-R292 VanDerWaalsContact O-N 3.09Å; S289-R292 PolarHBondContact O-N 3.33Å; N290-R292 VanDerWaalsContact C-N 3.34Å; N290-R292 PolarHBondContact O-N 2.97Å; R292-A294 VanDerWaalsContact C-N 3.32Å; R292-A294 PolarHBondContact O-N 3.27Å; R292-F295 PolarHBondContact O-N 3.44Å; R292-E296 WeakPolarHBondContact O-CG 3.35Å; R292-E296 PolarHBondContact O-N 3.31Å; R292-Q332 VanDerWaalsContact NH2-NE2 3.19Å; R292-L336 HydrophobicContact CG-CD2 4.45Å
293	K	91.6	Very high	87.2	Confident	117 Å²	117	59.8 Å²	59.8	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-59.1	-42.6	177	-73.3	174.1	-175.4	173.3	0	111.7	S289 N290 F295 E296 E297	S289-K293 WeakPolarHBondContact O-CG 3.43Å; S289-K293 PolarHBondContact O-N 3.46Å; N290-K293 PolarHBondContact O-N 3.48Å; K293-F295 PolarHBondContact O-N 3.1Å; K293-E296 PolarHBondContact O-N 3Å; K293-E297 WeakPolarHBondContact O-CB 3.36Å; K293-E297 PolarHBondContact O-N 2.83Å
294	A	91.9	Very high	88.3	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-45.7	177.2	0	0	0	0	0	112.2	F272 L274 N290 L291 R292 E297 C298 L306	F272-A294 HydrophobicContact CD1-CB 4.04Å; F272-A294 HydrophobicContact CE1-CB 3.47Å; F272-A294 VanDerWaalsContact CE1-CB 3.47Å; F272-A294 HydrophobicContact CZ-CB 4.18Å; L274-A294 HydrophobicContact CD1-CB 4.11Å; N290-A294 PolarHBondContact O-N 2.86Å; L291-A294 PolarHBondContact O-N 2.97Å; R292-A294 VanDerWaalsContact C-N 3.32Å; R292-A294 PolarHBondContact O-N 3.27Å; A294-E297 PolarHBondContact O-N 2.82Å; A294-C298 PolarHBondContact O-N 3.25Å; A294-C298 VanDerWaalsContact O-N 3.1Å; A294-C298 PolarHBondContact O-SG 3.44Å; A294-L306 HydrophobicContact CB-CD1 4.42Å
295	F	92.6	Very high	89.4	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-43.9	175.7	-86.3	-105.4	0	0	0	112.2	L291 R292 K293 E297 C298 E299 L306 L333 L336 M337 L340 V348	L291-F295 HydrophobicContact CD1-CD2 4.46Å; L291-F295 HydrophobicContact CD1-CE2 4.12Å; L291-F295 HydrophobicContact CG-CE2 4.44Å; L291-F295 WeakPolarHBondContact O-CD2 3.33Å; L291-F295 PolarHBondContact O-N 2.93Å; R292-F295 PolarHBondContact O-N 3.44Å; K293-F295 PolarHBondContact O-N 3.1Å; F295-E297 VanDerWaalsContact C-N 3.32Å; F295-E297 PolarHBondContact O-N 3.19Å; F295-C298 PolarHBondContact O-N 2.99Å; F295-E299 WeakPolarHBondContact O-CG 3.23Å; F295-E299 PolarHBondContact O-N 3.12Å; F295-L306 HydrophobicContact CD1-CD2 4.33Å; F295-L306 HydrophobicContact CD2-CD2 3.58Å; F295-L306 HydrophobicContact CE1-CD2 4.12Å; F295-L306 HydrophobicContact CE2-CD2 3.34Å; F295-L306 HydrophobicContact CG-CD2 4.09Å; F295-L306 HydrophobicContact CZ-CD2 3.64Å; F295-L333 HydrophobicContact CE2-CD1 4.13Å; F295-L333 HydrophobicContact CZ-CD1 4.17Å; F295-L336 HydrophobicContact CB-CD2 4.26Å; F295-L336 HydrophobicContact CD1-CB 3.94Å; F295-L336 HydrophobicContact CD2-CB 4.15Å; F295-L336 HydrophobicContact CD2-CD1 3.78Å; F295-L336 HydrophobicContact CD2-CG 4.4Å; F295-L336 HydrophobicContact CE1-CB 3.81Å; F295-L336 HydrophobicContact CE2-CB 4.01Å; F295-L336 HydrophobicContact CE2-CD1 4.03Å; F295-L336 HydrophobicContact CG-CB 4.11Å; F295-L336 HydrophobicContact CG-CD1 4.21Å; F295-L336 HydrophobicContact CG-CD2 4.27Å; F295-L336 HydrophobicContact CG-CG 4.42Å; F295-L336 HydrophobicContact CZ-CB 3.84Å; F295-M337 HydrophobicContact CE1-SD 4.28Å; F295-M337 HydrophobicContact CZ-SD 4.03Å; F295-L340 HydrophobicContact CD1-CD2 3.89Å; F295-L340 HydrophobicContact CD1-CG 4.38Å; F295-L340 HydrophobicContact CE1-CD1 4.13Å; F295-L340 HydrophobicContact CE1-CD2 4.04Å; F295-L340 HydrophobicContact CE1-CG 4.1Å; F295-V348 HydrophobicContact CE1-CG2 4.06Å; F295-V348 HydrophobicContact CZ-CG2 4.21Å
296	E	92	Very high	90.2	Very high	87 Å²	87	49.5 Å²	49.5	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-36.9	177.8	-73.9	177.5	-166	0	0	112.8	R292 K293 E299 K300	R292-E296 WeakPolarHBondContact O-CG 3.35Å; R292-E296 PolarHBondContact O-N 3.31Å; K293-E296 PolarHBondContact O-N 3Å; E296-E299 PolarHBondContact O-N 3.43Å; E296-K300 VanDerWaalsContact O-CG 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 2.95Å; E296-K300 VanDerWaalsContact O-N 3.16Å
297	E	92	Very high	90.7	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	23%	0.225	S	C	.	.	H	α-helix	trans	-68.1	-41.7	176.6	-171.7	168	171.8	0	0	111.7	F270 F272 K293 A294 F295 E299 K300 N301	F270-E297 HydrophobicContact CE1-CG 4.37Å; F270-E297 HydrophobicContact CZ-CG 4.46Å; F272-E297 HydrophobicContact CD2-CG 4.36Å; F272-E297 HydrophobicContact CE2-CG 4.19Å; F272-E297 VanDerWaalsContact CE2-OE2 3.28Å; F272-E297 WeakPolarHBondContact CE2-OE2 3.2Å; K293-E297 WeakPolarHBondContact O-CB 3.36Å; K293-E297 PolarHBondContact O-N 2.83Å; A294-E297 PolarHBondContact O-N 2.82Å; F295-E297 VanDerWaalsContact C-N 3.32Å; F295-E297 PolarHBondContact O-N 3.19Å; E297-E299 PolarHBondContact O-N 3.28Å; E297-K300 PolarHBondContact O-N 2.99Å; E297-N301 PolarHBondContact O-N 2.8Å; E297-N301 PolarHBondContact O-ND2 2.83Å
298	C	92.2	Very high	91.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-41.6	173.2	-67.6	0	0	0	0	112.1	F272 A294 F295 K300 N301 A302 S304 V346	F272-C298 WeakPolarHBondContact CB-SG 3.48Å; A294-C298 PolarHBondContact O-N 3.25Å; A294-C298 VanDerWaalsContact O-N 3.1Å; A294-C298 PolarHBondContact O-SG 3.44Å; F295-C298 PolarHBondContact O-N 2.99Å; C298-K300 VanDerWaalsContact C-N 3.31Å; C298-K300 PolarHBondContact O-N 3.06Å; C298-N301 PolarHBondContact O-N 2.85Å; C298-A302 PolarHBondContact O-N 2.99Å; C298-S304 VanDerWaalsContact C-OG 3.32Å; C298-S304 WeakPolarHBondContact CB-OG 3.48Å; C298-S304 WeakPolarHBondContact O-CB 3.49Å; C298-S304 PolarHBondContact O-OG 2.84Å; C298-V346 HydrophobicContact CB-CG1 3.94Å; C298-V346 HydrophobicContact CB-CG2 4.36Å
299	E	90.7	Very high	91.4	Very high	84 Å²	84	45 Å²	45	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-33.5	177.4	-73.1	-164.9	157.6	0	0	112.7	F295 E296 E297 V346	F295-E299 WeakPolarHBondContact O-CG 3.23Å; F295-E299 PolarHBondContact O-N 3.12Å; E296-E299 PolarHBondContact O-N 3.43Å; E297-E299 PolarHBondContact O-N 3.28Å; E299-V346 HydrophobicContact CG-CG2 4.04Å
300	K	91.6	Very high	91.5	Very high	160 Å²	160	46.3 Å²	46.3	70%	0.696	23%	0.225	S	C	*	.	H	α-helix	trans	-70.5	-34.2	177.4	-73.1	168.1	-171.4	167.3	0	112.9	E296 E297 C298	E296-K300 VanDerWaalsContact O-CG 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 2.95Å; E296-K300 VanDerWaalsContact O-N 3.16Å; E297-K300 PolarHBondContact O-N 2.99Å; C298-K300 VanDerWaalsContact C-N 3.31Å; C298-K300 PolarHBondContact O-N 3.06Å
301	N	90.3	Very high	91.7	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	20.4	-176.2	-64.7	-47.7	0	0	0	113.3	F270 E297 C298	F270-N301 HydrophobicContact CB-CB 3.77Å; F270-N301 WeakPolarHBondContact CB-O 3.32Å; F270-N301 HydrophobicContact CD1-CB 3.54Å; F270-N301 HydrophobicContact CD2-CB 3.99Å; F270-N301 HydrophobicContact CE1-CB 4.06Å; F270-N301 HydrophobicContact CE2-CB 4.47Å; F270-N301 HydrophobicContact CG-CB 3.48Å; F270-N301 VanDerWaalsContact CG-CB 3.48Å; F270-N301 HydrophobicContact CZ-CB 4.49Å; F270-N301 WeakPolarHBondContact CZ-ND2 3.22Å; E297-N301 PolarHBondContact O-N 2.8Å; E297-N301 PolarHBondContact O-ND2 2.83Å; C298-N301 PolarHBondContact O-N 2.85Å
302	A	85.1	Confident	91.7	Very high	42 Å²	42	45.8 Å²	45.8	35%	0.347	22%	0.222	S	C	.	.			trans	-61.2	139.9	-178.2	0	0	0	0	0	112.6	C298 S344 H345	C298-A302 PolarHBondContact O-N 2.99Å; A302-S344 WeakPolarHBondContact CB-O 3.38Å; A302-H345 HydrophobicContact CB-CB 4.33Å
303	P	87.4	Confident	91.5	Very high	61 Å²	61	42.5 Å²	42.5	40%	0.396	22%	0.217	S	C	.	.	S	Bend	cis	-70.2	134.3	4.5	28.1	-34.1	0	0	0	113.5	L229 A269 F270 H345	L229-P303 HydrophobicContact CD2-CB 3.82Å; A269-P303 WeakPolarHBondContact CA-O 3.48Å; F270-P303 PolarHBondContact N-O 3.48Å; P303-H345 HydrophobicContact CB-CB 4.49Å
304	S	91.2	Very high	91.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.3	-174.4	61.7	0	0	0	0	113.9	F270 C298 H345 V346 I347	F270-S304 CarbonylContact O-C 3.6Å; F270-S304 WeakPolarHBondContact O-CA 3.28Å; F270-S304 WeakPolarHBondContact O-CB 3.36Å; C298-S304 VanDerWaalsContact C-OG 3.32Å; C298-S304 WeakPolarHBondContact CB-OG 3.48Å; C298-S304 WeakPolarHBondContact O-CB 3.49Å; C298-S304 PolarHBondContact O-OG 2.84Å; S304-H345 PolarHBondContact N-O 3.26Å; S304-H345 VanDerWaalsContact N-O 3.17Å; S304-V346 WeakPolarHBondContact O-CA 3.35Å; S304-V346 WeakPolarHBondContact OG-CG2 3.34Å; S304-I347 PolarHBondContact O-N 2.92Å; S304-I347 VanDerWaalsContact O-N 3.09Å
305	I	92.7	Very high	91.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.7	175.3	-60.7	-179.8	0	0	0	108.1	V225 L229 V263 A264 A269 F270 F271 F272 I347 I349	V225-I305 HydrophobicContact CG1-CD1 3.72Å; V225-I305 HydrophobicContact CG1-CG1 4.46Å; L229-I305 HydrophobicContact CD1-CD1 4.36Å; L229-I305 HydrophobicContact CD1-CG1 4.32Å; V263-I305 HydrophobicContact CG1-CD1 4.01Å; A264-I305 HydrophobicContact CB-CD1 3.95Å; A269-I305 HydrophobicContact CB-CD1 4.37Å; A269-I305 HydrophobicContact CB-CG1 4.15Å; F270-I305 PolarHBondContact O-N 2.75Å; F271-I305 HydrophobicContact CD2-CB 4.4Å; F271-I305 HydrophobicContact CD2-CG2 4.33Å; F271-I305 HydrophobicContact CE2-CG2 4.48Å; F272-I305 PolarHBondContact N-O 2.96Å; I305-I347 WeakPolarHBondContact CA-O 3.15Å; I305-I349 HydrophobicContact CG2-CD1 3.76Å; I305-I349 HydrophobicContact CG2-CG1 4.05Å
306	L	94.5	Very high	91	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.2	170.2	175.3	61	0	0	0	108.4	F272 L274 A294 F295 I308 I347 V348 I349	F272-L306 HydrophobicContact CB-CD1 4.25Å; F272-L306 HydrophobicContact CD1-CD1 3.65Å; F272-L306 HydrophobicContact CG-CD1 4.39Å; L274-L306 HydrophobicContact CB-CD1 4.3Å; A294-L306 HydrophobicContact CB-CD1 4.42Å; F295-L306 HydrophobicContact CD1-CD2 4.33Å; F295-L306 HydrophobicContact CD2-CD2 3.58Å; F295-L306 HydrophobicContact CE1-CD2 4.12Å; F295-L306 HydrophobicContact CE2-CD2 3.34Å; F295-L306 HydrophobicContact CG-CD2 4.09Å; F295-L306 HydrophobicContact CZ-CD2 3.64Å; L306-I308 HydrophobicContact CG-CG1 4.27Å; L306-I347 PolarHBondContact N-O 3.09Å; L306-V348 HydrophobicContact CB-CG2 4.32Å; L306-V348 HydrophobicContact CD2-CG1 4.33Å; L306-V348 HydrophobicContact CD2-CG2 4.24Å; L306-V348 HydrophobicContact CG-CG1 4.41Å; L306-V348 CarbonylContact O-C 3.45Å; L306-V348 WeakPolarHBondContact O-CA 3.14Å; L306-I349 PolarHBondContact O-N 3.03Å
307	F	95.8	Very high	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.8	176.7	-175.8	-102	0	0	0	111.2	L248 T257 A260 F271 F272 L273 L274 D309 I349 A351	L248-F307 HydrophobicContact CD1-CE2 4.4Å; T257-F307 HydrophobicContact CG2-CD1 4.37Å; T257-F307 HydrophobicContact CG2-CE1 3.72Å; T257-F307 HydrophobicContact CG2-CZ 4.37Å; A260-F307 HydrophobicContact CB-CB 4.39Å; A260-F307 HydrophobicContact CB-CD2 3.16Å; A260-F307 HydrophobicContact CB-CE2 3.4Å; A260-F307 VanDerWaalsContact CB-CE2 3.4Å; A260-F307 HydrophobicContact CB-CG 3.78Å; A260-F307 HydrophobicContact CB-CZ 4.19Å; F271-F307 HydrophobicContact CE2-CB 3.59Å; F271-F307 HydrophobicContact CE2-CG 4.29Å; F271-F307 HydrophobicContact CZ-CB 3.66Å; F271-F307 HydrophobicContact CZ-CD1 4.31Å; F271-F307 HydrophobicContact CZ-CG 4.13Å; F272-F307 PolarHBondContact O-N 2.99Å; L273-F307 HydrophobicContact CD1-CD1 3.53Å; L273-F307 HydrophobicContact CD1-CE1 4.17Å; L274-F307 PolarHBondContact N-O 2.86Å; F307-D309 HydrophobicContact CD1-CB 4.34Å; F307-D309 HydrophobicContact CE1-CB 3.72Å; F307-I349 CarbonylContact C-O 3.53Å; F307-I349 VanDerWaalsContact CA-O 3.22Å; F307-I349 WeakPolarHBondContact CA-O 3.41Å; F307-I349 HydrophobicContact CD2-CB 3.86Å; F307-I349 HydrophobicContact CD2-CG2 3.66Å; F307-I349 HydrophobicContact CE2-CG2 3.84Å; F307-A351 HydrophobicContact CE1-CB 4.49Å; F307-A351 HydrophobicContact CE2-CB 3.99Å; F307-A351 HydrophobicContact CZ-CB 3.55Å
308	I	95.1	Very high	89.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	104.7	176.9	-53.9	179.4	0	0	0	108.6	L274 L306 I311 I314 L333 V348 I349 A350 A351	L274-I308 HydrophobicContact CB-CG1 4.42Å; L274-I308 HydrophobicContact CD2-CG1 4.19Å; L274-I308 CarbonylContact O-C 3.56Å; L274-I308 WeakPolarHBondContact O-CA 3.32Å; L306-I308 HydrophobicContact CG-CG1 4.27Å; I308-I311 HydrophobicContact CG2-CB 4.07Å; I308-I311 HydrophobicContact CG2-CG1 4.22Å; I308-I314 HydrophobicContact CG2-CD1 3.76Å; I308-L333 HydrophobicContact CD1-CD1 3.99Å; I308-V348 HydrophobicContact CD1-CG1 3.96Å; I308-V348 HydrophobicContact CG1-CG1 4.32Å; I308-I349 PolarHBondContact N-O 3.48Å; I308-A350 HydrophobicContact CB-CB 4.25Å; I308-A350 CarbonylContact O-C 3.53Å; I308-A350 VanDerWaalsContact O-CA 3.23Å; I308-A350 WeakPolarHBondContact O-CA 3.39Å; I308-A351 PolarHBondContact O-N 3.21Å
309	D	93.8	Very high	89.2	Confident	31 Å²	31	46.7 Å²	46.7	17%	0.166	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	150.5	174	-143.7	-16.9	0	0	0	110.9	T257 L274 G276 F307 I311	T257-D309 PolarHBondContact OG1-OD2 3.31Å; L274-D309 PolarHBondContact O-N 3.46Å; G276-D309 WeakPolarHBondContact CA-O 3.46Å; G276-D309 PolarHBondContact N-O 3.32Å; F307-D309 HydrophobicContact CD1-CB 4.34Å; F307-D309 HydrophobicContact CE1-CB 3.72Å; D309-I311 VanDerWaalsContact C-N 3.33Å; D309-I311 PolarHBondContact O-N 3.41Å
310	E	90.8	Very high	88.3	Confident	78 Å²	78	48.6 Å²	48.6	36%	0.364	24%	0.243	S	C	.	.	S	Bend	trans	47.8	49.8	-178.4	-58.9	-171.3	163.4	0	0	113.6	P277 D312 A313 A351	P277-E310 WeakPolarHBondContact CD-OE2 3.49Å; P277-E310 WeakPolarHBondContact CG-OE2 3.44Å; E310-D312 PolarHBondContact O-N 3.15Å; E310-A313 VanDerWaalsContact O-CB 3.28Å; E310-A313 WeakPolarHBondContact O-CB 3.33Å; E310-A313 PolarHBondContact O-N 3.31Å; E310-A351 PolarHBondContact N-O 3.13Å
311	I	93.5	Very high	87.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-24.9	-176.5	-171.6	166.7	0	0	0	113.1	L247 I308 D309 A313 I314 A315 L333 A350 A351 I358 L362 F368	L247-I311 HydrophobicContact CD1-CG2 4.08Å; I308-I311 HydrophobicContact CG2-CB 4.07Å; I308-I311 HydrophobicContact CG2-CG1 4.22Å; D309-I311 VanDerWaalsContact C-N 3.33Å; D309-I311 PolarHBondContact O-N 3.41Å; I311-A313 PolarHBondContact O-N 3.48Å; I311-I314 HydrophobicContact CG1-CD1 4.38Å; I311-I314 HydrophobicContact CG1-CG1 4.14Å; I311-I314 VanDerWaalsContact O-CG1 3.31Å; I311-I314 WeakPolarHBondContact O-CG1 3.4Å; I311-I314 PolarHBondContact O-N 3.47Å; I311-I314 VanDerWaalsContact O-N 3.16Å; I311-A315 HydrophobicContact CG1-CB 4.32Å; I311-A315 PolarHBondContact O-N 3.35Å; I311-L333 HydrophobicContact CD1-CD2 4.14Å; I311-L333 HydrophobicContact CG1-CD2 4.43Å; I311-A350 HydrophobicContact CB-CB 4.11Å; I311-A350 HydrophobicContact CD1-CB 3.56Å; I311-A350 HydrophobicContact CG1-CB 4.42Å; I311-A350 HydrophobicContact CG2-CB 4.13Å; I311-A351 PolarHBondContact N-O 2.94Å; I311-A351 VanDerWaalsContact N-O 3.07Å; I311-I358 HydrophobicContact CG2-CG2 3.98Å; I311-L362 HydrophobicContact CD1-CD1 4.02Å; I311-L362 HydrophobicContact CG1-CD1 4.41Å; I311-F368 HydrophobicContact CD1-CD2 4.34Å; I311-F368 HydrophobicContact CD1-CE2 3.46Å; I311-F368 VanDerWaalsContact CD1-CE2 3.46Å; I311-F368 HydrophobicContact CD1-CZ 3.79Å
312	D	89.6	Confident	86.7	Confident	34 Å²	34	46.8 Å²	46.8	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-20.1	174.7	49.3	-54.3	0	0	0	113.9	E310 T352 S357 I358	E310-D312 PolarHBondContact O-N 3.15Å; D312-T352 VanDerWaalsContact CG-OG1 3.22Å; D312-T352 PolarHBondContact OD1-OG1 3Å; D312-S357 WeakPolarHBondContact CB-OG 3.4Å; D312-I358 HydrophobicContact CB-CG2 3.94Å
313	A	88	Confident	86.3	Confident	35 Å²	35	46.1 Å²	46.1	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-71.2	-34.5	172	0	0	0	0	0	112.7	E310 I311	E310-A313 VanDerWaalsContact O-CB 3.28Å; E310-A313 WeakPolarHBondContact O-CB 3.33Å; E310-A313 PolarHBondContact O-N 3.31Å; I311-A313 PolarHBondContact O-N 3.48Å
314	I	88.1	Confident	86.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-100.4	-20.3	-177.7	62	169.2	0	0	0	113.6	G276 I279 M280 I308 I311 P316 I329 L333	G276-I314 WeakPolarHBondContact O-CG2 3.41Å; I279-I314 HydrophobicContact CB-CG2 4Å; I279-I314 HydrophobicContact CG2-CG2 4.13Å; M280-I314 HydrophobicContact CG-CG2 4.37Å; I308-I314 HydrophobicContact CG2-CD1 3.76Å; I311-I314 HydrophobicContact CG1-CD1 4.38Å; I311-I314 HydrophobicContact CG1-CG1 4.14Å; I311-I314 VanDerWaalsContact O-CG1 3.31Å; I311-I314 WeakPolarHBondContact O-CG1 3.4Å; I311-I314 PolarHBondContact O-N 3.47Å; I311-I314 VanDerWaalsContact O-N 3.16Å; I314-P316 VanDerWaalsContact C-CD 3.42Å; I314-I329 HydrophobicContact CB-CG2 4.07Å; I314-L333 HydrophobicContact CD1-CD2 4.02Å
315	A	89.6	Confident	85.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-132.9	55.9	-178.6	0	0	0	0	0	114	I311 V330 L333 I358 D359 L362	I311-A315 HydrophobicContact CG1-CB 4.32Å; I311-A315 PolarHBondContact O-N 3.35Å; A315-V330 HydrophobicContact CB-CG1 4.46Å; A315-V330 HydrophobicContact CB-CG2 4.25Å; A315-L333 HydrophobicContact CB-CD2 4.27Å; A315-I358 WeakPolarHBondContact O-CA 3.45Å; A315-D359 PolarHBondContact O-N 3.09Å; A315-L362 HydrophobicContact CB-CD1 3.31Å
316	P	87.3	Confident	85.3	Confident	25 Å²	25	55.9 Å²	55.9	16%	0.162	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-66.9	161.8	173.2	30.6	-36	0	0	0	111.7	I314 R318 T321 S357	I314-P316 VanDerWaalsContact C-CD 3.42Å; P316-R318 PolarHBondContact O-N 3.48Å; P316-R318 VanDerWaalsContact O-N 3.15Å; P316-T321 WeakPolarHBondContact CG-OG1 3.46Å; P316-S357 CarbonylContact C-O 3.49Å; P316-S357 WeakPolarHBondContact CA-O 3.42Å
317	K	83.7	Confident	84.9	Confident	81 Å²	81	61.8 Å²	61.8	35%	0.352	30%	0.298	S	S	.	.			trans	-54.4	117.8	172.2	-82.2	177.8	170.1	167.1	0	111.4	E319 K320 T321 N356 S357	K317-E319 PolarHBondContact O-N 2.78Å; K317-K320 PolarHBondContact O-N 2.92Å; K317-T321 PolarHBondContact O-N 2.95Å; K317-T321 PolarHBondContact O-OG1 2.88Å; K317-N356 WeakPolarHBondContact CD-O 3.43Å; K317-N356 WeakPolarHBondContact CE-O 3.04Å; K317-N356 PolarHBondContact NZ-O 2.63Å; K317-S357 PolarHBondContact N-O 3.04Å
318	R	77.5	Confident	84.5	Confident	88 Å²	88	66.8 Å²	66.8	33%	0.332	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.1	179.2	-71.5	164.5	-173.2	-131.6	-11.4	114.9	P316 T321 R327 S331 D359	P316-R318 PolarHBondContact O-N 3.48Å; P316-R318 VanDerWaalsContact O-N 3.15Å; R318-T321 PolarHBondContact O-N 3.29Å; R318-R327 PolarHBondContact O-NH2 3.08Å; R318-S331 PolarHBondContact NH2-OG 3.01Å; R318-S331 VanDerWaalsContact NH2-OG 3.12Å; R318-D359 WeakPolarHBondContact CD-OD2 3.5Å; R318-D359 WeakPolarHBondContact CG-OD2 3.48Å; R318-D359 IonicContact NE-OD2 2.91Å; R318-D359 PolarHBondContact NE-OD2 2.87Å
319	E	76.5	Confident	84.2	Confident	188 Å²	188	66.9 Å²	66.9	88%	0.879	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-34.1	179.1	-67	178.5	178	0	0	112.7	K317	K317-E319 PolarHBondContact O-N 2.78Å
320	K	71.4	Confident	84	Confident	124 Å²	124	65.4 Å²	65.4	54%	0.539	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-15.5	176.3	-64.9	-160.5	176	-158	0	112.6	K317 E559	K317-K320 PolarHBondContact O-N 2.92Å; K320-E559 IonicContact NZ-OE1 3.17Å; K320-E559 PolarHBondContact NZ-OE1 3.11Å; K320-E559 IonicContact NZ-OE2 2.83Å
321	T	73.6	Confident	84	Confident	6 Å²	6	64 Å²	64	4%	0.037	31%	0.308	C	S	.	.			trans	-80.2	119	-178.7	-66.1	0	0	0	0	112.4	P316 K317 R318 G323 E326 R327	P316-T321 WeakPolarHBondContact CG-OG1 3.46Å; K317-T321 PolarHBondContact O-N 2.95Å; K317-T321 PolarHBondContact O-OG1 2.88Å; R318-T321 PolarHBondContact O-N 3.29Å; T321-G323 VanDerWaalsContact CG2-O 3.3Å; T321-G323 WeakPolarHBondContact CG2-O 3.32Å; T321-E326 HydrophobicContact CG2-CB 3.61Å; T321-E326 HydrophobicContact CG2-CG 4.4Å; T321-E326 WeakPolarHBondContact CG2-OE2 3.44Å; T321-E326 PolarHBondContact OG1-OE2 2.79Å; T321-R327 HydrophobicContact CG2-CG 3.92Å; T321-R327 PolarHBondContact O-NE 3.21Å; T321-R327 PolarHBondContact O-NH2 3.25Å
322	H	75.1	Confident	83.9	Confident	189 Å²	189	65.3 Å²	65.3	88%	0.875	31%	0.314	S	S	*	.			trans	-86.1	-23	171.7	-65.2	-66.1	0	0	0	113.5
323	G	77.8	Confident	84.1	Confident	28 Å²	28	63.7 Å²	63.7	29%	0.289	31%	0.305	S	S	.	.			trans	-84.9	131.5	-174.8	0	0	0	0	0	114.5	T321 V325 R327	T321-G323 VanDerWaalsContact CG2-O 3.3Å; T321-G323 WeakPolarHBondContact CG2-O 3.32Å; G323-V325 VanDerWaalsContact C-N 3.32Å; G323-V325 PolarHBondContact O-N 3.48Å; G323-R327 PolarHBondContact O-N 3.43Å
324	E	82.6	Confident	84.3	Confident	155 Å²	155	62.7 Å²	62.7	72%	0.724	30%	0.295	S	S	*	.	H	α-helix	trans	-64.7	-35.7	172.5	-69.6	-170.5	162.8	0	0	112.6	R327 R328	E324-R327 PolarHBondContact O-N 2.86Å; E324-R328 WeakPolarHBondContact O-CG 3.5Å; E324-R328 PolarHBondContact O-N 3.33Å; E324-R328 VanDerWaalsContact O-N 3.08Å
325	V	83.7	Confident	84.5	Confident	53 Å²	53	66.9 Å²	66.9	32%	0.321	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-49.2	-178.7	179.7	0	0	0	0	110.9	G323 R327 R328 I329	G323-V325 VanDerWaalsContact C-N 3.32Å; G323-V325 PolarHBondContact O-N 3.48Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.38Å; V325-R328 PolarHBondContact O-N 3.17Å; V325-R328 VanDerWaalsContact O-N 3.15Å; V325-I329 HydrophobicContact CG1-CD1 3.95Å; V325-I329 WeakPolarHBondContact O-CG1 3.38Å; V325-I329 PolarHBondContact O-N 2.94Å
326	E	83.1	Confident	84.7	Confident	58 Å²	58	68 Å²	68	27%	0.271	33%	0.327	S	S	.	.	H	α-helix	trans	-57.4	-45.3	176.7	-72.4	170.5	-150.5	0	0	111.6	M280 T321 R328 I329 V330	M280-E326 HydrophobicContact CE-CG 3.84Å; T321-E326 HydrophobicContact CG2-CB 3.61Å; T321-E326 HydrophobicContact CG2-CG 4.4Å; T321-E326 WeakPolarHBondContact CG2-OE2 3.44Å; T321-E326 PolarHBondContact OG1-OE2 2.79Å; E326-R328 VanDerWaalsContact C-N 3.28Å; E326-R328 PolarHBondContact O-N 2.77Å; E326-I329 PolarHBondContact O-N 3.46Å; E326-V330 WeakPolarHBondContact O-CG2 3.36Å; E326-V330 PolarHBondContact O-N 3.32Å
327	R	85.7	Confident	84.9	Confident	124 Å²	124	66.8 Å²	66.8	47%	0.468	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-35.8	178.2	-67.6	-179.2	-179.2	-168	0.6	112.7	R318 T321 G323 E324 V325 S331	R318-R327 PolarHBondContact O-NH2 3.08Å; T321-R327 HydrophobicContact CG2-CG 3.92Å; T321-R327 PolarHBondContact O-NE 3.21Å; T321-R327 PolarHBondContact O-NH2 3.25Å; G323-R327 PolarHBondContact O-N 3.43Å; E324-R327 PolarHBondContact O-N 2.86Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.38Å; R327-S331 WeakPolarHBondContact O-CB 3.32Å; R327-S331 PolarHBondContact O-N 3.45Å; R327-S331 VanDerWaalsContact O-N 3.12Å; R327-S331 PolarHBondContact O-OG 3.5Å
328	R	87.3	Confident	85.2	Confident	106 Å²	106	66.7 Å²	66.7	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-70.9	-42.7	175	-66.9	-164.6	-49.2	-138.6	-10.5	111.8	E288 E324 V325 E326 V330 S331 Q332	E288-R328 WeakPolarHBondContact OE1-CB 3.15Å; E288-R328 IonicContact OE1-CZ 3.62Å; E288-R328 IonicContact OE1-NE 2.79Å; E288-R328 PolarHBondContact OE1-NE 3.15Å; E288-R328 IonicContact OE1-NH2 3.62Å; E324-R328 WeakPolarHBondContact O-CG 3.5Å; E324-R328 PolarHBondContact O-N 3.33Å; E324-R328 VanDerWaalsContact O-N 3.08Å; V325-R328 PolarHBondContact O-N 3.17Å; V325-R328 VanDerWaalsContact O-N 3.15Å; E326-R328 VanDerWaalsContact C-N 3.28Å; E326-R328 PolarHBondContact O-N 2.77Å; R328-V330 PolarHBondContact O-N 3.04Å; R328-S331 PolarHBondContact O-N 3.03Å; R328-S331 VanDerWaalsContact O-N 3.15Å; R328-Q332 WeakPolarHBondContact O-CB 3.38Å; R328-Q332 PolarHBondContact O-N 3.29Å
329	I	89.3	Confident	85.6	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-47.4	175.9	-65.5	167.7	0	0	0	110.3	M280 E288 I314 V325 E326 S331 Q332 L333	M280-I329 HydrophobicContact SD-CD1 3.72Å; E288-I329 HydrophobicContact CG-CG1 4.44Å; I314-I329 HydrophobicContact CB-CG2 4.07Å; V325-I329 HydrophobicContact CG1-CD1 3.95Å; V325-I329 WeakPolarHBondContact O-CG1 3.38Å; V325-I329 PolarHBondContact O-N 2.94Å; E326-I329 PolarHBondContact O-N 3.46Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.3Å; I329-Q332 PolarHBondContact O-N 3.25Å; I329-L333 PolarHBondContact O-N 2.92Å
330	V	90.1	Very high	86	Confident	1 Å²	1	56 Å²	56	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-49.4	175.2	-175.9	0	0	0	0	109.9	A315 E326 R328 Q332 L333 L334 D359	A315-V330 HydrophobicContact CB-CG1 4.46Å; A315-V330 HydrophobicContact CB-CG2 4.25Å; E326-V330 WeakPolarHBondContact O-CG2 3.36Å; E326-V330 PolarHBondContact O-N 3.32Å; R328-V330 PolarHBondContact O-N 3.04Å; V330-Q332 VanDerWaalsContact C-N 3.32Å; V330-Q332 PolarHBondContact O-N 2.77Å; V330-L333 PolarHBondContact O-N 3.03Å; V330-L334 HydrophobicContact CG1-CD1 4.46Å; V330-L334 HydrophobicContact CG1-CG 4.42Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.44Å; V330-L334 PolarHBondContact O-N 2.92Å; V330-D359 HydrophobicContact CG1-CB 4.09Å
331	S	90.9	Very high	86.3	Confident	47 Å²	47	57.3 Å²	57.3	33%	0.329	29%	0.294	S	S	.	.	H	α-helix	trans	-64.3	-36	-178.1	-58.2	0	0	0	0	112.8	R318 R327 R328 I329 T335	R318-S331 PolarHBondContact NH2-OG 3.01Å; R318-S331 VanDerWaalsContact NH2-OG 3.12Å; R327-S331 WeakPolarHBondContact O-CB 3.32Å; R327-S331 PolarHBondContact O-N 3.45Å; R327-S331 VanDerWaalsContact O-N 3.12Å; R327-S331 PolarHBondContact O-OG 3.5Å; R328-S331 PolarHBondContact O-N 3.03Å; R328-S331 VanDerWaalsContact O-N 3.15Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.3Å; S331-T335 WeakPolarHBondContact O-CB 3.5Å; S331-T335 PolarHBondContact O-N 2.9Å; S331-T335 PolarHBondContact O-OG1 2.87Å
332	Q	91.9	Very high	86	Confident	28 Å²	28	60.6 Å²	60.6	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-43.5	174.9	-178.4	55.4	47.2	0	0	111.3	E288 L291 R292 R328 I329 V330 T335 L336	E288-Q332 HydrophobicContact CB-CG 4.24Å; E288-Q332 HydrophobicContact CG-CB 4.41Å; E288-Q332 HydrophobicContact CG-CG 4.48Å; L291-Q332 HydrophobicContact CD2-CG 4.29Å; R292-Q332 VanDerWaalsContact NH2-NE2 3.19Å; R328-Q332 WeakPolarHBondContact O-CB 3.38Å; R328-Q332 PolarHBondContact O-N 3.29Å; I329-Q332 PolarHBondContact O-N 3.25Å; V330-Q332 VanDerWaalsContact C-N 3.32Å; V330-Q332 PolarHBondContact O-N 2.77Å; Q332-T335 PolarHBondContact O-N 2.92Å; Q332-L336 HydrophobicContact CG-CD1 4.23Å; Q332-L336 WeakPolarHBondContact O-CG 3.46Å; Q332-L336 PolarHBondContact O-N 3.24Å
333	L	93.2	Very high	85.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.6	-178.6	60.2	0	0	0	111.7	L291 F295 I308 I311 I314 A315 I329 V330 T335 L336 M337 L362	L291-L333 HydrophobicContact CD1-CD1 4.22Å; L291-L333 HydrophobicContact CD2-CB 3.8Å; L291-L333 HydrophobicContact CD2-CD1 4.08Å; F295-L333 HydrophobicContact CE2-CD1 4.13Å; F295-L333 HydrophobicContact CZ-CD1 4.17Å; I308-L333 HydrophobicContact CD1-CD1 3.99Å; I311-L333 HydrophobicContact CD1-CD2 4.14Å; I311-L333 HydrophobicContact CG1-CD2 4.43Å; I314-L333 HydrophobicContact CD1-CD2 4.02Å; A315-L333 HydrophobicContact CB-CD2 4.27Å; I329-L333 PolarHBondContact O-N 2.92Å; V330-L333 PolarHBondContact O-N 3.03Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 2.87Å; L333-L336 PolarHBondContact O-N 3.43Å; L333-M337 HydrophobicContact CD1-CG 4.37Å; L333-M337 WeakPolarHBondContact O-CG 3.4Å; L333-M337 PolarHBondContact O-N 3.31Å; L333-L362 HydrophobicContact CD2-CD1 4.34Å; L333-L362 HydrophobicContact CD2-CD2 4Å; L333-L362 HydrophobicContact CG-CD2 4.21Å
334	L	92.7	Very high	85.2	Confident	15 Å²	15	61.4 Å²	61.4	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-43.7	175.4	-67	-173.9	0	0	0	111.7	V330 L336 M337 D338 A361 L362 R367	V330-L334 HydrophobicContact CG1-CD1 4.46Å; V330-L334 HydrophobicContact CG1-CG 4.42Å; V330-L334 VanDerWaalsContact O-CG 3.29Å; V330-L334 WeakPolarHBondContact O-CG 3.44Å; V330-L334 PolarHBondContact O-N 2.92Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 PolarHBondContact O-N 3.03Å; L334-M337 PolarHBondContact O-N 2.78Å; L334-D338 WeakPolarHBondContact O-CB 3.47Å; L334-D338 VanDerWaalsContact O-CG 3.27Å; L334-D338 PolarHBondContact O-N 3.15Å; L334-A361 HydrophobicContact CD1-CB 3.89Å; L334-A361 HydrophobicContact CD2-CB 4.36Å; L334-L362 HydrophobicContact CD2-CD2 3.42Å; L334-L362 VanDerWaalsContact CD2-CD2 3.42Å; L334-L362 HydrophobicContact CD2-CG 3.81Å; L334-R367 VanDerWaalsContact CD2-NH1 3.32Å
335	T	92.2	Very high	85.2	Confident	87 Å²	87	57.9 Å²	57.9	53%	0.534	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-39.7	178.9	-56.3	0	0	0	0	111.7	S331 Q332 L333 G339	S331-T335 WeakPolarHBondContact O-CB 3.5Å; S331-T335 PolarHBondContact O-N 2.9Å; S331-T335 PolarHBondContact O-OG1 2.87Å; Q332-T335 PolarHBondContact O-N 2.92Å; L333-T335 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 2.87Å; T335-G339 PolarHBondContact O-N 3.17Å
336	L	92.9	Very high	85.5	Confident	24 Å²	24	55.8 Å²	55.8	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-43.9	177.6	-70.5	167.2	0	0	0	111.9	L291 R292 F295 Q332 L333 L334 D338 G339 L340	L291-L336 HydrophobicContact CB-CD1 4.39Å; L291-L336 HydrophobicContact CD2-CD1 3.86Å; L291-L336 HydrophobicContact CG-CD1 3.64Å; R292-L336 HydrophobicContact CG-CD2 4.45Å; F295-L336 HydrophobicContact CB-CD2 4.26Å; F295-L336 HydrophobicContact CD1-CB 3.94Å; F295-L336 HydrophobicContact CD2-CB 4.15Å; F295-L336 HydrophobicContact CD2-CD1 3.78Å; F295-L336 HydrophobicContact CD2-CG 4.4Å; F295-L336 HydrophobicContact CE1-CB 3.81Å; F295-L336 HydrophobicContact CE2-CB 4.01Å; F295-L336 HydrophobicContact CE2-CD1 4.03Å; F295-L336 HydrophobicContact CG-CB 4.11Å; F295-L336 HydrophobicContact CG-CD1 4.21Å; F295-L336 HydrophobicContact CG-CD2 4.27Å; F295-L336 HydrophobicContact CG-CG 4.42Å; F295-L336 HydrophobicContact CZ-CB 3.84Å; Q332-L336 HydrophobicContact CG-CD1 4.23Å; Q332-L336 WeakPolarHBondContact O-CG 3.46Å; Q332-L336 PolarHBondContact O-N 3.24Å; L333-L336 PolarHBondContact O-N 3.43Å; L334-L336 VanDerWaalsContact C-N 3.35Å; L334-L336 PolarHBondContact O-N 3.03Å; L336-D338 PolarHBondContact O-N 3.44Å; L336-G339 PolarHBondContact O-N 3.12Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-L340 VanDerWaalsContact O-N 3.11Å
337	M	91.9	Very high	85.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-43.6	176	-71.8	-61.2	-67	0	0	112.5	R244 F295 L333 L334 G339 L340 V348 R367 F368	R244-M337 PolarHBondContact NH1-O 3.44Å; F295-M337 HydrophobicContact CE1-SD 4.28Å; F295-M337 HydrophobicContact CZ-SD 4.03Å; L333-M337 HydrophobicContact CD1-CG 4.37Å; L333-M337 WeakPolarHBondContact O-CG 3.4Å; L333-M337 PolarHBondContact O-N 3.31Å; L334-M337 PolarHBondContact O-N 2.78Å; M337-G339 VanDerWaalsContact C-N 3.32Å; M337-L340 HydrophobicContact SD-CD1 4.25Å; M337-V348 HydrophobicContact CE-CB 4.07Å; M337-V348 HydrophobicContact CE-CG1 4.46Å; M337-V348 HydrophobicContact CE-CG2 4.32Å; M337-V348 HydrophobicContact SD-CB 3.88Å; M337-V348 HydrophobicContact SD-CG1 3.92Å; M337-V348 HydrophobicContact SD-CG2 3.72Å; M337-R367 HydrophobicContact CB-CB 4.49Å; M337-R367 HydrophobicContact CB-CG 4.12Å; M337-R367 HydrophobicContact CE-CB 4.44Å; M337-F368 HydrophobicContact CE-CE1 4.28Å; M337-F368 HydrophobicContact CE-CE2 4.3Å; M337-F368 HydrophobicContact CE-CZ 4.14Å; M337-F368 HydrophobicContact SD-CZ 4.37Å
338	D	89	Confident	86.3	Confident	79 Å²	79	47.4 Å²	47.4	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-68.2	-36.4	176.7	-67.3	-16.4	0	0	0	111.1	R244 L334 L336 L340 R367	R244-D338 PolarHBondContact NH1-O 3.46Å; L334-D338 WeakPolarHBondContact O-CB 3.47Å; L334-D338 VanDerWaalsContact O-CG 3.27Å; L334-D338 PolarHBondContact O-N 3.15Å; L336-D338 PolarHBondContact O-N 3.44Å; D338-L340 VanDerWaalsContact C-N 3.32Å; D338-L340 PolarHBondContact O-N 3.22Å; D338-R367 WeakPolarHBondContact OD1-CG 3.5Å; D338-R367 IonicContact OD1-CZ 3.01Å; D338-R367 IonicContact OD1-NE 3.97Å; D338-R367 PolarHBondContact OD1-NE 3.19Å; D338-R367 IonicContact OD1-NH2 3.64Å; D338-R367 IonicContact OD2-CZ 3.86Å; D338-R367 IonicContact OD2-NE 2.73Å; D338-R367 IonicContact OD2-NH2 2.58Å; D338-R367 PolarHBondContact OD2-NH2 3.13Å
339	G	86.9	Confident	86.7	Confident	47 Å²	47	42.5 Å²	42.5	49%	0.485	23%	0.225	S	C	.	.	H	α-helix	trans	-70.4	-16.5	-179.3	0	0	0	0	0	115.7	T335 L336 M337 K341	T335-G339 PolarHBondContact O-N 3.17Å; L336-G339 PolarHBondContact O-N 3.12Å; M337-G339 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 3.15Å
340	L	85.3	Confident	87	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.016	23%	0.225	C	C	.	.			trans	-56.6	112.3	175.7	-74.7	172.5	0	0	0	110.5	R244 F295 L336 M337 D338 V346 V348	R244-L340 PolarHBondContact NH1-O 3.12Å; R244-L340 PolarHBondContact NH2-O 3.37Å; F295-L340 HydrophobicContact CD1-CD2 3.89Å; F295-L340 HydrophobicContact CD1-CG 4.38Å; F295-L340 HydrophobicContact CE1-CD1 4.13Å; F295-L340 HydrophobicContact CE1-CD2 4.04Å; F295-L340 HydrophobicContact CE1-CG 4.1Å; L336-L340 PolarHBondContact O-N 2.81Å; L336-L340 VanDerWaalsContact O-N 3.11Å; M337-L340 HydrophobicContact SD-CD1 4.25Å; D338-L340 VanDerWaalsContact C-N 3.32Å; D338-L340 PolarHBondContact O-N 3.22Å; L340-V346 HydrophobicContact CD2-CB 4.22Å; L340-V346 HydrophobicContact CD2-CG1 4.37Å; L340-V348 HydrophobicContact CD1-CG2 3.74Å
341	K	76.6	Confident	87.3	Confident	153 Å²	153	42.4 Å²	42.4	67%	0.665	23%	0.225	S	C	*	.			trans	-71.1	140.6	177	-66.4	174.5	-174.5	165.1	0	108.5	G339 R343 S344	G339-K341 PolarHBondContact O-N 3.15Å; K341-R343 PolarHBondContact O-N 2.81Å; K341-S344 PolarHBondContact O-N 3.47Å; K341-S344 PolarHBondContact O-OG 3.36Å
342	S	68.3	Low	87.3	Confident	74 Å²	74	40.2 Å²	40.2	52%	0.517	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-9	177.5	62.1	0	0	0	0	114.4
343	R	67.9	Low	87.1	Confident	217 Å²	217	41.7 Å²	41.7	82%	0.819	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-7.1	177.6	-61.2	-176	-177.5	-180	1.1	113.5	K341 H345	K341-R343 PolarHBondContact O-N 2.81Å; R343-H345 PolarHBondContact O-CD2 3.39Å; R343-H345 VanDerWaalsContact O-CD2 3.22Å; R343-H345 PolarHBondContact O-N 3.21Å
344	S	68.2	Low	86.5	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.119	24%	0.243	C	C	.	.	S	Bend	trans	-75	-12.6	-174.1	62	0	0	0	0	113.3	A302 K341 V346	A302-S344 WeakPolarHBondContact CB-O 3.38Å; K341-S344 PolarHBondContact O-N 3.47Å; K341-S344 PolarHBondContact O-OG 3.36Å; S344-V346 WeakPolarHBondContact O-CG2 3.25Å; S344-V346 PolarHBondContact O-N 2.89Å; S344-V346 VanDerWaalsContact O-N 3.09Å
345	H	83	Confident	86.1	Confident	81 Å²	81	48.8 Å²	48.8	38%	0.375	25%	0.247	S	C	.	.			trans	49.5	33.8	-177.1	-60.8	-74.8	0	0	0	113.1	P232 A302 P303 S304 R343	P232-H345 VanDerWaalsContact CB-CE1 3.49Å; P232-H345 WeakPolarHBondContact CB-CE1 3.35Å; A302-H345 HydrophobicContact CB-CB 4.33Å; P303-H345 HydrophobicContact CB-CB 4.49Å; S304-H345 PolarHBondContact N-O 3.26Å; S304-H345 VanDerWaalsContact N-O 3.17Å; R343-H345 PolarHBondContact O-CD2 3.39Å; R343-H345 VanDerWaalsContact O-CD2 3.22Å; R343-H345 PolarHBondContact O-N 3.21Å
346	V	89.7	Confident	85.6	Confident	10 Å²	10	48.3 Å²	48.3	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.8	174.7	-174.6	0	0	0	0	108.5	C298 E299 S304 L340 S344	C298-V346 HydrophobicContact CB-CG1 3.94Å; C298-V346 HydrophobicContact CB-CG2 4.36Å; E299-V346 HydrophobicContact CG-CG2 4.04Å; S304-V346 WeakPolarHBondContact O-CA 3.35Å; S304-V346 WeakPolarHBondContact OG-CG2 3.34Å; L340-V346 HydrophobicContact CD2-CB 4.22Å; L340-V346 HydrophobicContact CD2-CG1 4.37Å; S344-V346 WeakPolarHBondContact O-CG2 3.25Å; S344-V346 PolarHBondContact O-N 2.89Å; S344-V346 VanDerWaalsContact O-N 3.09Å
347	I	91.5	Very high	85.2	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132	171.8	-63.6	174.8	0	0	0	108.1	V225 P228 L229 I246 S304 I305 L306 I349	V225-I347 HydrophobicContact CB-CD1 4.29Å; V225-I347 HydrophobicContact CG1-CD1 4Å; V225-I347 HydrophobicContact CG2-CD1 4.42Å; V225-I347 HydrophobicContact CG2-CG2 4.38Å; P228-I347 HydrophobicContact CB-CD1 4.41Å; L229-I347 HydrophobicContact CD1-CD1 4.24Å; L229-I347 HydrophobicContact CD2-CD1 4.11Å; L229-I347 HydrophobicContact CG-CD1 3.94Å; I246-I347 HydrophobicContact CD1-CG2 4.48Å; S304-I347 PolarHBondContact O-N 2.92Å; S304-I347 VanDerWaalsContact O-N 3.09Å; I305-I347 WeakPolarHBondContact CA-O 3.15Å; L306-I347 PolarHBondContact N-O 3.09Å; I347-I349 HydrophobicContact CG2-CG1 4.25Å
348	V	94.3	Very high	85.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.7	176.8	-173.6	0	0	0	0	108.8	R244 G245 I246 F295 L306 I308 M337 L340 F368	R244-V348 PolarHBondContact O-N 3.44Å; G245-V348 CarbonylContact C-O 3.45Å; G245-V348 WeakPolarHBondContact CA-O 3.45Å; I246-V348 PolarHBondContact N-O 3.2Å; F295-V348 HydrophobicContact CE1-CG2 4.06Å; F295-V348 HydrophobicContact CZ-CG2 4.21Å; L306-V348 HydrophobicContact CB-CG2 4.32Å; L306-V348 HydrophobicContact CD2-CG1 4.33Å; L306-V348 HydrophobicContact CD2-CG2 4.24Å; L306-V348 HydrophobicContact CG-CG1 4.41Å; L306-V348 CarbonylContact O-C 3.45Å; L306-V348 WeakPolarHBondContact O-CA 3.14Å; I308-V348 HydrophobicContact CD1-CG1 3.96Å; I308-V348 HydrophobicContact CG1-CG1 4.32Å; M337-V348 HydrophobicContact CE-CB 4.07Å; M337-V348 HydrophobicContact CE-CG1 4.46Å; M337-V348 HydrophobicContact CE-CG2 4.32Å; M337-V348 HydrophobicContact SD-CB 3.88Å; M337-V348 HydrophobicContact SD-CG1 3.92Å; M337-V348 HydrophobicContact SD-CG2 3.72Å; L340-V348 HydrophobicContact CD1-CG2 3.74Å; V348-F368 HydrophobicContact CB-CE1 4.43Å; V348-F368 HydrophobicContact CG1-CE1 3.97Å; V348-F368 HydrophobicContact CG1-CZ 3.84Å
349	I	95.1	Very high	85.1	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.5	172.9	-57.5	-179.8	0	0	0	106.8	V225 I246 L248 A260 I305 L306 F307 I308 I347	V225-I349 HydrophobicContact CG2-CD1 4.37Å; I246-I349 HydrophobicContact CB-CG1 4.35Å; I246-I349 CarbonylContact O-C 3.49Å; I246-I349 WeakPolarHBondContact O-CA 3.44Å; L248-I349 HydrophobicContact CD1-CG2 3.8Å; L248-I349 HydrophobicContact CG-CG2 3.87Å; A260-I349 HydrophobicContact CB-CG2 4.39Å; I305-I349 HydrophobicContact CG2-CD1 3.76Å; I305-I349 HydrophobicContact CG2-CG1 4.05Å; L306-I349 PolarHBondContact O-N 3.03Å; F307-I349 CarbonylContact C-O 3.53Å; F307-I349 VanDerWaalsContact CA-O 3.22Å; F307-I349 WeakPolarHBondContact CA-O 3.41Å; F307-I349 HydrophobicContact CD2-CB 3.86Å; F307-I349 HydrophobicContact CD2-CG2 3.66Å; F307-I349 HydrophobicContact CE2-CG2 3.84Å; I308-I349 PolarHBondContact N-O 3.48Å; I347-I349 HydrophobicContact CG2-CG1 4.25Å
350	A	95.7	Very high	85.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.9	175.4	0	0	0	0	0	110.7	I246 L247 L248 I308 I311 F368	I246-A350 PolarHBondContact O-N 2.83Å; L247-A350 CarbonylContact C-O 3.57Å; L247-A350 WeakPolarHBondContact CA-O 3.41Å; L247-A350 HydrophobicContact CD1-CB 3.96Å; L248-A350 PolarHBondContact N-O 3.03Å; I308-A350 HydrophobicContact CB-CB 4.25Å; I308-A350 CarbonylContact O-C 3.53Å; I308-A350 VanDerWaalsContact O-CA 3.23Å; I308-A350 WeakPolarHBondContact O-CA 3.39Å; I311-A350 HydrophobicContact CB-CB 4.11Å; I311-A350 HydrophobicContact CD1-CB 3.56Å; I311-A350 HydrophobicContact CG1-CB 4.42Å; I311-A350 HydrophobicContact CG2-CB 4.13Å; A350-F368 HydrophobicContact CB-CD1 4.21Å; A350-F368 HydrophobicContact CB-CE1 3.43Å; A350-F368 VanDerWaalsContact CB-CE1 3.43Å; A350-F368 HydrophobicContact CB-CE2 4.18Å; A350-F368 HydrophobicContact CB-CZ 3.41Å; A350-F368 VanDerWaalsContact CB-CZ 3.41Å
351	A	95.4	Very high	85.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.7	174.9	0	0	0	0	0	111.4	L248 K256 F307 I308 E310 I311	L248-A351 CarbonylContact O-C 3.5Å; L248-A351 VanDerWaalsContact O-CA 3.27Å; L248-A351 WeakPolarHBondContact O-CA 3.46Å; K256-A351 HydrophobicContact CB-CB 3.97Å; K256-A351 HydrophobicContact CD-CB 4.08Å; F307-A351 HydrophobicContact CE1-CB 4.49Å; F307-A351 HydrophobicContact CE2-CB 3.99Å; F307-A351 HydrophobicContact CZ-CB 3.55Å; I308-A351 PolarHBondContact O-N 3.21Å; E310-A351 PolarHBondContact N-O 3.13Å; I311-A351 PolarHBondContact N-O 2.94Å; I311-A351 VanDerWaalsContact N-O 3.07Å
352	T	91.6	Very high	86.2	Confident	1 Å²	1	41 Å²	41	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.2	170.8	-175.3	0	0	0	0	111.6	L247 L248 Y249 G250 D312 R354 I358	L247-T352 HydrophobicContact CD1-CG2 4.09Å; L248-T352 PolarHBondContact O-N 3.36Å; Y249-T352 VanDerWaalsContact CA-O 3.3Å; Y249-T352 WeakPolarHBondContact CA-O 3.44Å; G250-T352 PolarHBondContact N-O 2.74Å; D312-T352 VanDerWaalsContact CG-OG1 3.22Å; D312-T352 PolarHBondContact OD1-OG1 3Å; T352-R354 PolarHBondContact OG1-N 2.95Å; T352-R354 PolarHBondContact OG1-O 2.96Å; T352-I358 HydrophobicContact CG2-CG2 4.37Å
353	N	87	Confident	87.2	Confident	59 Å²	59	41 Å²	41	32%	0.316	21%	0.205	S	C	.	.	S	Bend	trans	-86	-17.9	169.5	-62.2	-41.2	0	0	0	112.2	G250 P252 K256	G250-N353 WeakPolarHBondContact O-CA 3.34Å; G250-N353 PolarHBondContact O-OD1 3.47Å; P252-N353 WeakPolarHBondContact CA-OD1 3.42Å; K256-N353 WeakPolarHBondContact CE-OD1 3.35Å; K256-N353 PolarHBondContact NZ-OD1 3.37Å
354	R	82.1	Confident	88.1	Confident	139 Å²	139	39.4 Å²	39.4	53%	0.525	20%	0.199	S	C	.	.			trans	-132.9	83.7	-170.3	-67.8	177.7	179.9	167.1	-1.4	109	T352 N356 S357 E471	T352-R354 PolarHBondContact OG1-N 2.95Å; T352-R354 PolarHBondContact OG1-O 2.96Å; R354-N356 PolarHBondContact O-N 3.3Å; R354-N356 VanDerWaalsContact O-N 3.12Å; R354-S357 WeakPolarHBondContact CB-OG 3.34Å; R354-S357 PolarHBondContact O-N 3.18Å; R354-S357 PolarHBondContact O-OG 2.85Å; R354-E471 IonicContact NH2-OE1 3.73Å; R354-E471 PolarHBondContact NH2-OE1 3.48Å
355	P	83.5	Confident	88.9	Confident	26 Å²	26	47.5 Å²	47.5	17%	0.169	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55.6	-37.5	179.3	23.1	-33.1	0	0	0	111.1	Y249 S357 I358 R363	Y249-P355 HydrophobicContact CD2-CB 4.38Å; Y249-P355 HydrophobicContact CD2-CG 3.96Å; Y249-P355 HydrophobicContact CG-CB 4.3Å; Y249-P355 HydrophobicContact CG-CG 4.33Å; P355-S357 PolarHBondContact O-N 2.9Å; P355-S357 VanDerWaalsContact O-N 3.15Å; P355-I358 WeakPolarHBondContact O-CG1 3.41Å; P355-I358 PolarHBondContact O-N 2.8Å; P355-R363 PolarHBondContact O-NH2 2.76Å
356	N	82.7	Confident	89	Confident	76 Å²	76	44.5 Å²	44.5	41%	0.406	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70.2	-9.8	-177.7	-64.1	-32.9	0	0	0	115	K317 R354 D569	K317-N356 WeakPolarHBondContact CD-O 3.43Å; K317-N356 WeakPolarHBondContact CE-O 3.04Å; K317-N356 PolarHBondContact NZ-O 2.63Å; R354-N356 PolarHBondContact O-N 3.3Å; R354-N356 VanDerWaalsContact O-N 3.12Å; N356-D569 PolarHBondContact ND2-OD2 3.07Å
357	S	84.1	Confident	89	Confident	35 Å²	35	45.6 Å²	45.6	25%	0.245	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-88.1	-20.7	176.4	63.7	0	0	0	0	113.3	D312 P316 K317 R354 P355	D312-S357 WeakPolarHBondContact CB-OG 3.4Å; P316-S357 CarbonylContact C-O 3.49Å; P316-S357 WeakPolarHBondContact CA-O 3.42Å; K317-S357 PolarHBondContact N-O 3.04Å; R354-S357 WeakPolarHBondContact CB-OG 3.34Å; R354-S357 PolarHBondContact O-N 3.18Å; R354-S357 PolarHBondContact O-OG 2.85Å; P355-S357 PolarHBondContact O-N 2.9Å; P355-S357 VanDerWaalsContact O-N 3.15Å
358	I	88.9	Confident	89	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-73.8	148.2	-177.8	63.9	149.5	0	0	0	112.6	L247 I311 D312 A315 T352 P355 A360 R363	L247-I358 HydrophobicContact CD2-CD1 3.52Å; I311-I358 HydrophobicContact CG2-CG2 3.98Å; D312-I358 HydrophobicContact CB-CG2 3.94Å; A315-I358 WeakPolarHBondContact O-CA 3.45Å; T352-I358 HydrophobicContact CG2-CG2 4.37Å; P355-I358 WeakPolarHBondContact O-CG1 3.41Å; P355-I358 PolarHBondContact O-N 2.8Å; I358-A360 PolarHBondContact O-N 3.42Å; I358-R363 HydrophobicContact CD1-CG 3.7Å; I358-R363 VanDerWaalsContact CD1-NE 3.34Å
359	D	90	Very high	88.6	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.064	24%	0.236	C	C	.	.			trans	-59.8	127.2	176.2	-171.3	-86.8	0	0	0	111.6	A315 R318 V330 A361 L362	A315-D359 PolarHBondContact O-N 3.09Å; R318-D359 WeakPolarHBondContact CD-OD2 3.5Å; R318-D359 WeakPolarHBondContact CG-OD2 3.48Å; R318-D359 IonicContact NE-OD2 2.91Å; R318-D359 PolarHBondContact NE-OD2 2.87Å; V330-D359 HydrophobicContact CG1-CB 4.09Å; D359-A361 PolarHBondContact O-N 2.95Å; D359-A361 VanDerWaalsContact O-N 3.08Å; D359-A361 WeakPolarHBondContact OD1-CA 3.3Å; D359-A361 WeakPolarHBondContact OD1-CB 3.27Å; D359-A361 PolarHBondContact OD1-N 2.82Å; D359-L362 WeakPolarHBondContact O-CB 3.3Å; D359-L362 PolarHBondContact O-N 3.4Å
360	A	88.2	Confident	88.3	Confident	73 Å²	73	53.9 Å²	53.9	60%	0.603	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.1	-23.8	-176	0	0	0	0	0	113.1	I358 L362 R363	I358-A360 PolarHBondContact O-N 3.42Å; A360-L362 PolarHBondContact O-N 3.04Å; A360-R363 PolarHBondContact O-N 3.46Å
361	A	91.1	Very high	88	Confident	33 Å²	33	57.5 Å²	57.5	27%	0.273	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.3	-24.5	178.3	0	0	0	0	0	112.1	L334 D359 R363 R364 R367	L334-A361 HydrophobicContact CD1-CB 3.89Å; L334-A361 HydrophobicContact CD2-CB 4.36Å; D359-A361 PolarHBondContact O-N 2.95Å; D359-A361 VanDerWaalsContact O-N 3.08Å; D359-A361 WeakPolarHBondContact OD1-CA 3.3Å; D359-A361 WeakPolarHBondContact OD1-CB 3.27Å; D359-A361 PolarHBondContact OD1-N 2.82Å; A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 2.61Å; A361-R364 PolarHBondContact O-N 2.97Å; A361-R367 WeakPolarHBondContact O-CD 3.27Å; A361-R367 PolarHBondContact O-NH1 3.31Å
362	L	91.7	Very high	87.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.5	-27.9	177.3	-80.7	174.4	0	0	0	113.3	I311 A315 L333 L334 D359 A360 R364 R367 F368	I311-L362 HydrophobicContact CD1-CD1 4.02Å; I311-L362 HydrophobicContact CG1-CD1 4.41Å; A315-L362 HydrophobicContact CB-CD1 3.31Å; L333-L362 HydrophobicContact CD2-CD1 4.34Å; L333-L362 HydrophobicContact CD2-CD2 4Å; L333-L362 HydrophobicContact CG-CD2 4.21Å; L334-L362 HydrophobicContact CD2-CD2 3.42Å; L334-L362 VanDerWaalsContact CD2-CD2 3.42Å; L334-L362 HydrophobicContact CD2-CG 3.81Å; D359-L362 WeakPolarHBondContact O-CB 3.3Å; D359-L362 PolarHBondContact O-N 3.4Å; A360-L362 PolarHBondContact O-N 3.04Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.4Å; L362-R367 WeakPolarHBondContact O-CB 3.36Å; L362-F368 HydrophobicContact CB-CD2 4.09Å; L362-F368 HydrophobicContact CD2-CD2 4.03Å; L362-F368 HydrophobicContact CD2-CE2 3.94Å; L362-F368 WeakPolarHBondContact O-CB 3.31Å; L362-F368 PolarHBondContact O-N 2.8Å
363	R	88.4	Confident	87.4	Confident	72 Å²	72	60.6 Å²	60.6	27%	0.272	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-84.3	2.2	-177.2	-59.4	171.7	176.9	-126.1	17.1	114.2	P355 I358 A360 A361 F368 E371	P355-R363 PolarHBondContact O-NH2 2.76Å; I358-R363 HydrophobicContact CD1-CG 3.7Å; I358-R363 VanDerWaalsContact CD1-NE 3.34Å; A360-R363 PolarHBondContact O-N 3.46Å; A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 2.61Å; R363-F368 WeakPolarHBondContact CA-O 3.46Å; R363-E371 VanDerWaalsContact CD-OE1 3.28Å; R363-E371 WeakPolarHBondContact CD-OE1 3.38Å; R363-E371 WeakPolarHBondContact CG-OE1 3.42Å; R363-E371 IonicContact CZ-OE1 2.72Å; R363-E371 IonicContact NE-OE1 3.52Å; R363-E371 VanDerWaalsContact NH1-CD 3.3Å; R363-E371 IonicContact NH1-OE1 3.36Å; R363-E371 PolarHBondContact NH1-OE1 2.82Å; R363-E371 IonicContact NH1-OE2 2.74Å; R363-E371 PolarHBondContact NH1-OE2 2.73Å
364	R	88.1	Confident	87.4	Confident	185 Å²	185	57.8 Å²	57.8	70%	0.698	28%	0.279	S	S	*	.	S	Bend	trans	-73.3	148.2	-178.2	-169.5	174.4	-179	173.5	0.9	110.9	A361 L362 G366 R367	A361-R364 PolarHBondContact O-N 2.97Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.4Å; R364-G366 PolarHBondContact O-N 3.11Å; R364-R367 WeakPolarHBondContact O-CB 3.27Å; R364-R367 PolarHBondContact O-N 2.99Å
365	F	85.4	Confident	87.2	Confident	186 Å²	186	52.1 Å²	52.1	82%	0.816	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	129.1	174.5	-173	-98.9	0	0	0	112.5	D369	F365-D369 HydrophobicContact CD2-CB 4.25Å
366	G	83.6	Confident	87	Confident	19 Å²	19	52.5 Å²	52.5	20%	0.196	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-4.6	-175	0	0	0	0	0	115.8	R244 R364 D369	R244-G366 WeakPolarHBondContact CD-O 3.35Å; R364-G366 PolarHBondContact O-N 3.11Å; G366-D369 PolarHBondContact N-OD2 2.91Å
367	R	91.2	Very high	86.9	Confident	32 Å²	32	49.7 Å²	49.7	12%	0.121	25%	0.25	C	C	.	.	S	Bend	trans	-113.4	-115.2	173.1	-61.9	171.6	179.8	176.7	-5.1	108.9	G245 L334 M337 D338 A361 L362 R364 D369	G245-R367 WeakPolarHBondContact CA-O 3.44Å; G245-R367 PolarHBondContact N-O 2.97Å; L334-R367 VanDerWaalsContact CD2-NH1 3.32Å; M337-R367 HydrophobicContact CB-CB 4.49Å; M337-R367 HydrophobicContact CB-CG 4.12Å; M337-R367 HydrophobicContact CE-CB 4.44Å; D338-R367 WeakPolarHBondContact OD1-CG 3.5Å; D338-R367 IonicContact OD1-CZ 3.01Å; D338-R367 IonicContact OD1-NE 3.97Å; D338-R367 PolarHBondContact OD1-NE 3.19Å; D338-R367 IonicContact OD1-NH2 3.64Å; D338-R367 IonicContact OD2-CZ 3.86Å; D338-R367 IonicContact OD2-NE 2.73Å; D338-R367 IonicContact OD2-NH2 2.58Å; D338-R367 PolarHBondContact OD2-NH2 3.13Å; A361-R367 WeakPolarHBondContact O-CD 3.27Å; A361-R367 PolarHBondContact O-NH1 3.31Å; L362-R367 WeakPolarHBondContact O-CB 3.36Å; R364-R367 WeakPolarHBondContact O-CB 3.27Å; R364-R367 PolarHBondContact O-N 2.99Å; R367-D369 VanDerWaalsContact C-N 3.3Å; R367-D369 PolarHBondContact O-N 3.08Å
368	F	91.5	Very high	86.3	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	74.3	167.5	-64.7	-69.5	0	0	0	109.6	L247 I311 M337 V348 A350 L362 R363 R370	L247-F368 HydrophobicContact CB-CB 4.06Å; L247-F368 HydrophobicContact CB-CD1 4.28Å; L247-F368 HydrophobicContact CB-CG 4.33Å; I311-F368 HydrophobicContact CD1-CD2 4.34Å; I311-F368 HydrophobicContact CD1-CE2 3.46Å; I311-F368 VanDerWaalsContact CD1-CE2 3.46Å; I311-F368 HydrophobicContact CD1-CZ 3.79Å; M337-F368 HydrophobicContact CE-CE1 4.28Å; M337-F368 HydrophobicContact CE-CE2 4.3Å; M337-F368 HydrophobicContact CE-CZ 4.14Å; M337-F368 HydrophobicContact SD-CZ 4.37Å; V348-F368 HydrophobicContact CB-CE1 4.43Å; V348-F368 HydrophobicContact CG1-CE1 3.97Å; V348-F368 HydrophobicContact CG1-CZ 3.84Å; A350-F368 HydrophobicContact CB-CD1 4.21Å; A350-F368 HydrophobicContact CB-CE1 3.43Å; A350-F368 VanDerWaalsContact CB-CE1 3.43Å; A350-F368 HydrophobicContact CB-CE2 4.18Å; A350-F368 HydrophobicContact CB-CZ 3.41Å; A350-F368 VanDerWaalsContact CB-CZ 3.41Å; L362-F368 HydrophobicContact CB-CD2 4.09Å; L362-F368 HydrophobicContact CD2-CD2 4.03Å; L362-F368 HydrophobicContact CD2-CE2 3.94Å; L362-F368 WeakPolarHBondContact O-CB 3.31Å; L362-F368 PolarHBondContact O-N 2.8Å; R363-F368 WeakPolarHBondContact CA-O 3.46Å; F368-R370 VanDerWaalsContact C-N 3.31Å
369	D	85.6	Confident	85.8	Confident	42 Å²	42	54.6 Å²	54.6	23%	0.225	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-3.5	-177.2	58.8	2.3	0	0	0	113.6	F365 G366 R367	F365-D369 HydrophobicContact CD2-CB 4.25Å; G366-D369 PolarHBondContact N-OD2 2.91Å; R367-D369 VanDerWaalsContact C-N 3.3Å; R367-D369 PolarHBondContact O-N 3.08Å
370	R	88.8	Confident	85.3	Confident	140 Å²	140	59 Å²	59	53%	0.528	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.8	174.6	-62.8	-64.3	-173.2	176.5	3.6	109.4	M224 P243 I246 L247 F368	M224-R370 HydrophobicContact CE-CB 4.45Å; M224-R370 HydrophobicContact SD-CB 3.72Å; M224-R370 HydrophobicContact SD-CG 3.45Å; M224-R370 WeakPolarHBondContact SD-CG 3.48Å; P243-R370 HydrophobicContact CB-CG 4.26Å; I246-R370 CarbonylContact C-O 3.56Å; I246-R370 WeakPolarHBondContact CA-O 3.25Å; I246-R370 HydrophobicContact CG1-CB 4.35Å; L247-R370 PolarHBondContact N-O 3.47Å; F368-R370 VanDerWaalsContact C-N 3.31Å
371	E	90.2	Very high	85.1	Confident	75 Å²	75	55.6 Å²	55.6	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.6	175.7	-55.4	-171.9	-177.6	0	0	109.1	L247 Y249 R363	L247-E371 HydrophobicContact CB-CG 4.35Å; L247-E371 HydrophobicContact CD2-CG 4.24Å; L247-E371 CarbonylContact O-C 3.46Å; L247-E371 WeakPolarHBondContact O-CA 3.42Å; Y249-E371 HydrophobicContact CD1-CB 4.3Å; Y249-E371 HydrophobicContact CE1-CB 3.89Å; R363-E371 VanDerWaalsContact CD-OE1 3.28Å; R363-E371 WeakPolarHBondContact CD-OE1 3.38Å; R363-E371 WeakPolarHBondContact CG-OE1 3.42Å; R363-E371 IonicContact CZ-OE1 2.72Å; R363-E371 IonicContact NE-OE1 3.52Å; R363-E371 VanDerWaalsContact NH1-CD 3.3Å; R363-E371 IonicContact NH1-OE1 3.36Å; R363-E371 PolarHBondContact NH1-OE1 2.82Å; R363-E371 IonicContact NH1-OE2 2.74Å; R363-E371 PolarHBondContact NH1-OE2 2.73Å
372	I	88.4	Confident	85	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.3	-178.8	-49.9	178.6	0	0	0	109.1	Q217 I221 M224 I246 L247 L248 Y249 I374	Q217-I372 HydrophobicContact CB-CG2 4.01Å; Q217-I372 HydrophobicContact CG-CG2 3.9Å; I221-I372 HydrophobicContact CD1-CD1 3.97Å; I221-I372 HydrophobicContact CG1-CD1 3.28Å; M224-I372 HydrophobicContact CE-CD1 3.36Å; M224-I372 HydrophobicContact CE-CG1 4.05Å; I246-I372 HydrophobicContact CG2-CD1 3.63Å; I246-I372 HydrophobicContact CG2-CG1 4.03Å; L247-I372 PolarHBondContact O-N 3.31Å; L248-I372 WeakPolarHBondContact CA-O 3.47Å; L248-I372 HydrophobicContact CD2-CB 3.9Å; L248-I372 HydrophobicContact CD2-CD1 4Å; L248-I372 HydrophobicContact CD2-CG1 4.33Å; Y249-I372 WeakPolarHBondContact CD1-O 3.35Å; Y249-I372 PolarHBondContact N-O 2.9Å; I372-I374 HydrophobicContact CG2-CD1 3.92Å; I372-I374 PolarHBondContact O-N 3.06Å
373	D	85	Confident	84.9	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	110.9	175.8	-169.5	6.2	0	0	0	110.5	Q217 Y249 G375	Q217-D373 WeakPolarHBondContact CG-O 3.32Å; Q217-D373 PolarHBondContact NE2-O 2.95Å; Y249-D373 HydrophobicContact CE1-CB 4.16Å; Y249-D373 HydrophobicContact CE2-CB 3.79Å; D373-G375 PolarHBondContact O-N 3.35Å; D373-G375 PolarHBondContact OD1-N 3.36Å
374	I	86.8	Confident	84.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.			trans	-95.9	75.9	169.2	-47.9	-54.4	0	0	0	107.5	Q217 L248 Y249 C254 K256 I259 I372	Q217-I374 HydrophobicContact CB-CD1 3.82Å; Q217-I374 HydrophobicContact CG-CD1 3.83Å; L248-I374 HydrophobicContact CB-CG1 4.26Å; L248-I374 HydrophobicContact CD2-CD1 4.43Å; L248-I374 HydrophobicContact CD2-CG1 4.47Å; Y249-I374 PolarHBondContact O-N 3.22Å; C254-I374 HydrophobicContact CB-CG2 3.78Å; K256-I374 HydrophobicContact CG-CB 4.02Å; K256-I374 HydrophobicContact CG-CG1 4.06Å; K256-I374 HydrophobicContact CG-CG2 4.29Å; I259-I374 HydrophobicContact CD1-CD1 3.76Å; I259-I374 HydrophobicContact CD1-CG1 4.14Å; I259-I374 HydrophobicContact CD1-CG2 3.93Å; I372-I374 HydrophobicContact CG2-CD1 3.92Å; I372-I374 PolarHBondContact O-N 3.06Å
375	G	77.8	Confident	85.1	Confident	21 Å²	21	45.1 Å²	45.1	22%	0.216	23%	0.228	C	C	.	.			trans	-73.6	-174.5	-178.9	0	0	0	0	0	114	D373	D373-G375 PolarHBondContact O-N 3.35Å; D373-G375 PolarHBondContact OD1-N 3.36Å
376	I	80.7	Confident	85.5	Confident	33 Å²	33	36.2 Å²	36.2	17%	0.169	19%	0.189	C	C	.	.			trans	-69.8	135.8	174	-54.1	178.6	0	0	0	108.5	P251 V412 A468 A573	P251-I376 HydrophobicContact CG-CG1 4.1Å; I376-V412 HydrophobicContact CG1-CG1 4.34Å; I376-A468 HydrophobicContact CD1-CB 3.68Å; I376-A468 HydrophobicContact CG1-CB 4.17Å; I376-A573 WeakPolarHBondContact CD1-O 3.46Å
377	P	78.8	Confident	85.9	Confident	17 Å²	17	42.5 Å²	42.5	11%	0.11	21%	0.207	C	C	.	.			trans	-64.7	143.1	177.8	25.9	-34.5	0	0	0	112.5	R382 Y411	P377-R382 HydrophobicContact CB-CG 4Å; P377-R382 HydrophobicContact CG-CG 3.75Å; P377-R382 PolarHBondContact O-NH1 3.38Å; P377-Y411 WeakPolarHBondContact CG-O 3.35Å
378	D	73.1	Confident	85.9	Confident	103 Å²	103	42.9 Å²	42.9	55%	0.551	21%	0.211	S	C	*	.			trans	-73	177.4	169.1	63.5	3.7	0	0	0	111.3	L380 G381 R382	D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 3.01Å; D378-G381 PolarHBondContact O-N 3.34Å; D378-G381 VanDerWaalsContact O-N 3.12Å; D378-G381 WeakPolarHBondContact OD1-CA 3.49Å; D378-G381 PolarHBondContact OD1-N 2.96Å; D378-R382 WeakPolarHBondContact O-CG 3.34Å; D378-R382 PolarHBondContact O-N 2.89Å
379	S	77.4	Confident	85.9	Confident	36 Å²	36	46.4 Å²	46.4	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-57	-43.8	-176.8	-174.1	0	0	0	0	112.4	G381 R382 L383 N406	S379-G381 PolarHBondContact O-N 3.12Å; S379-R382 PolarHBondContact O-N 2.8Å; S379-L383 PolarHBondContact O-N 3.5Å; S379-N406 PolarHBondContact OG-OD1 2.97Å
380	L	80.1	Confident	86.1	Confident	105 Å²	105	44.8 Å²	44.8	55%	0.55	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-42.3	176.7	-173.9	67.5	0	0	0	111.6	D378 L383 E384	D378-L380 VanDerWaalsContact C-N 3.3Å; D378-L380 PolarHBondContact O-N 3.01Å; L380-L383 WeakPolarHBondContact O-CB 3.47Å; L380-L383 PolarHBondContact O-N 2.82Å; L380-E384 WeakPolarHBondContact O-CG 3.33Å; L380-E384 PolarHBondContact O-N 2.8Å
381	G	83.3	Confident	85.9	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-37	175.9	0	0	0	0	0	113.2	D378 S379 E384 V385	D378-G381 PolarHBondContact O-N 3.34Å; D378-G381 VanDerWaalsContact O-N 3.12Å; D378-G381 WeakPolarHBondContact OD1-CA 3.49Å; D378-G381 PolarHBondContact OD1-N 2.96Å; S379-G381 PolarHBondContact O-N 3.12Å; G381-E384 WeakPolarHBondContact O-CB 3.44Å; G381-E384 PolarHBondContact O-N 3.15Å; G381-V385 WeakPolarHBondContact O-CG2 3.49Å; G381-V385 PolarHBondContact O-N 3.32Å
382	R	88.7	Confident	85.4	Confident	17 Å²	17	44.6 Å²	44.6	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-41	173.5	-68.8	-167.3	-60.7	-90.6	7.3	111.4	P377 D378 S379 E384 V385 L386 A405 S408 L416	P377-R382 HydrophobicContact CB-CG 4Å; P377-R382 HydrophobicContact CG-CG 3.75Å; P377-R382 PolarHBondContact O-NH1 3.38Å; D378-R382 WeakPolarHBondContact O-CG 3.34Å; D378-R382 PolarHBondContact O-N 2.89Å; S379-R382 PolarHBondContact O-N 2.8Å; R382-E384 VanDerWaalsContact C-N 3.33Å; R382-E384 PolarHBondContact O-N 3.42Å; R382-V385 PolarHBondContact O-N 3.3Å; R382-L386 WeakPolarHBondContact O-CB 3.12Å; R382-L386 WeakPolarHBondContact O-CG 3.33Å; R382-L386 PolarHBondContact O-N 3.48Å; R382-A405 HydrophobicContact CB-CB 4.18Å; R382-A405 VanDerWaalsContact CZ-O 3.25Å; R382-A405 PolarHBondContact NE-O 2.85Å; R382-A405 PolarHBondContact NH2-O 2.84Å; R382-S408 WeakPolarHBondContact CD-O 3.37Å; R382-S408 WeakPolarHBondContact CD-OG 3.15Å; R382-S408 PolarHBondContact NE-O 3.18Å; R382-S408 VanDerWaalsContact NE-O 3.13Å; R382-S408 PolarHBondContact NE-OG 2.99Å; R382-L416 HydrophobicContact CB-CD1 3.82Å; R382-L416 HydrophobicContact CG-CD1 3.86Å
383	L	89.5	Confident	85.2	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-42.6	173.7	178.4	61	0	0	0	111.9	S379 L380 L386 R387 L401 E402 A405	S379-L383 PolarHBondContact O-N 3.5Å; L380-L383 WeakPolarHBondContact O-CB 3.47Å; L380-L383 PolarHBondContact O-N 2.82Å; L383-L386 PolarHBondContact O-N 3.01Å; L383-R387 HydrophobicContact CD1-CG 4.48Å; L383-R387 WeakPolarHBondContact O-CG 3.34Å; L383-R387 PolarHBondContact O-N 2.65Å; L383-L401 HydrophobicContact CD1-CB 3.68Å; L383-E402 HydrophobicContact CD1-CB 4.44Å; L383-A405 HydrophobicContact CB-CB 3.8Å
384	E	89.5	Confident	85.2	Confident	28 Å²	28	49.1 Å²	49.1	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-46.4	175	-70.8	177.5	175.4	0	0	112	G213 R215 L380 G381 R382 L386 R387 I388	G213-E384 PolarHBondContact N-OE2 3.43Å; R215-E384 IonicContact CZ-OE1 2.73Å; R215-E384 IonicContact NE-OE1 3.07Å; R215-E384 PolarHBondContact NE-OE1 3.26Å; R215-E384 IonicContact NE-OE2 2.97Å; R215-E384 IonicContact NH2-OE1 2.77Å; R215-E384 PolarHBondContact NH2-OE1 2.86Å; L380-E384 WeakPolarHBondContact O-CG 3.33Å; L380-E384 PolarHBondContact O-N 2.8Å; G381-E384 WeakPolarHBondContact O-CB 3.44Å; G381-E384 PolarHBondContact O-N 3.15Å; R382-E384 VanDerWaalsContact C-N 3.33Å; R382-E384 PolarHBondContact O-N 3.42Å; E384-L386 PolarHBondContact O-N 3.13Å; E384-R387 PolarHBondContact O-N 3.26Å; E384-I388 VanDerWaalsContact O-CG1 3.32Å; E384-I388 WeakPolarHBondContact O-CG1 3.4Å; E384-I388 PolarHBondContact O-N 2.97Å
385	V	92.4	Very high	85.4	Confident	11 Å²	11	51.4 Å²	51.4	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-43	177.7	173.3	0	0	0	0	111.5	G381 R382 I388 H389 L416	G381-V385 WeakPolarHBondContact O-CG2 3.49Å; G381-V385 PolarHBondContact O-N 3.32Å; R382-V385 PolarHBondContact O-N 3.3Å; V385-I388 PolarHBondContact O-N 3.28Å; V385-H389 PolarHBondContact O-CD2 3.25Å; V385-H389 VanDerWaalsContact O-CD2 3.3Å; V385-H389 PolarHBondContact O-N 3.26Å; V385-L416 HydrophobicContact CB-CD1 3.75Å; V385-L416 HydrophobicContact CG1-CB 3.76Å; V385-L416 HydrophobicContact CG1-CD1 3.65Å; V385-L416 HydrophobicContact CG1-CG 4.36Å
386	L	94.1	Very high	86.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-49.6	174.8	-74.7	169.6	0	0	0	110.5	R382 L383 E384 I388 H389 T390 L401 I404 A405 L416 L419	R382-L386 WeakPolarHBondContact O-CB 3.12Å; R382-L386 WeakPolarHBondContact O-CG 3.33Å; R382-L386 PolarHBondContact O-N 3.48Å; L383-L386 PolarHBondContact O-N 3.01Å; E384-L386 PolarHBondContact O-N 3.13Å; L386-I388 VanDerWaalsContact C-N 3.27Å; L386-I388 PolarHBondContact O-N 3.42Å; L386-H389 PolarHBondContact O-N 3.05Å; L386-H389 VanDerWaalsContact O-N 3.15Å; L386-T390 WeakPolarHBondContact O-CB 3.46Å; L386-T390 WeakPolarHBondContact O-CG2 3.05Å; L386-T390 PolarHBondContact O-N 3.15Å; L386-T390 PolarHBondContact O-OG1 3.45Å; L386-L401 HydrophobicContact CB-CD2 4.49Å; L386-L401 WeakPolarHBondContact CD1-O 3.36Å; L386-I404 HydrophobicContact CD1-CB 3.99Å; L386-I404 HydrophobicContact CD1-CG2 3.77Å; L386-I404 HydrophobicContact CD2-CG2 4.18Å; L386-A405 HydrophobicContact CD1-CB 3.98Å; L386-L416 HydrophobicContact CD2-CB 4.45Å; L386-L416 HydrophobicContact CD2-CD2 4.05Å; L386-L416 HydrophobicContact CG-CD2 4.27Å; L386-L419 HydrophobicContact CD2-CD2 4.39Å
387	R	92.1	Very high	86.5	Confident	150 Å²	150	58.5 Å²	58.5	57%	0.566	28%	0.281	S	S	*	.	H	α-helix	trans	-56.8	-39.6	177.3	-74.7	175.5	178.4	-175.2	1	112.6	L383 E384 K391 L401	L383-R387 HydrophobicContact CD1-CG 4.48Å; L383-R387 WeakPolarHBondContact O-CG 3.34Å; L383-R387 PolarHBondContact O-N 2.65Å; E384-R387 PolarHBondContact O-N 3.26Å; R387-K391 WeakPolarHBondContact O-CA 3.48Å; R387-K391 WeakPolarHBondContact O-CB 3.33Å; R387-K391 PolarHBondContact O-N 3.25Å; R387-L401 HydrophobicContact CG-CD1 3.99Å
388	I	89.7	Confident	87.3	Confident	41 Å²	41	61.6 Å²	61.6	21%	0.21	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-49.6	176.8	-68.4	160.9	0	0	0	110.4	E384 V385 L386 T390 K391	E384-I388 VanDerWaalsContact O-CG1 3.32Å; E384-I388 WeakPolarHBondContact O-CG1 3.4Å; E384-I388 PolarHBondContact O-N 2.97Å; V385-I388 PolarHBondContact O-N 3.28Å; L386-I388 VanDerWaalsContact C-N 3.27Å; L386-I388 PolarHBondContact O-N 3.42Å; I388-T390 VanDerWaalsContact C-N 3.34Å; I388-T390 PolarHBondContact O-N 3.36Å; I388-K391 WeakPolarHBondContact O-CB 3.34Å; I388-K391 PolarHBondContact O-N 3.45Å
389	H	91.2	Very high	88.2	Confident	74 Å²	74	57.8 Å²	57.8	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-72.8	-24.6	-178.1	-74.9	-63.9	0	0	0	113.9	V385 L386 A417 C420	V385-H389 PolarHBondContact O-CD2 3.25Å; V385-H389 VanDerWaalsContact O-CD2 3.3Å; V385-H389 PolarHBondContact O-N 3.26Å; L386-H389 PolarHBondContact O-N 3.05Å; L386-H389 VanDerWaalsContact O-N 3.15Å; H389-A417 VanDerWaalsContact CE1-CB 3.46Å; H389-A417 WeakPolarHBondContact CE1-CB 3.27Å; H389-A417 WeakPolarHBondContact NE2-CB 3.47Å; H389-C420 HydrophobicContact CB-CB 4.1Å
390	T	90	Very high	89	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-94.1	-6.1	175.3	65	0	0	0	0	113.5	L386 I388 R392 M393 L395 L401 F457	L386-T390 WeakPolarHBondContact O-CB 3.46Å; L386-T390 WeakPolarHBondContact O-CG2 3.05Å; L386-T390 PolarHBondContact O-N 3.15Å; L386-T390 PolarHBondContact O-OG1 3.45Å; I388-T390 VanDerWaalsContact C-N 3.34Å; I388-T390 PolarHBondContact O-N 3.36Å; T390-R392 PolarHBondContact O-N 2.83Å; T390-R392 VanDerWaalsContact O-N 3.07Å; T390-M393 HydrophobicContact CG2-SD 4.19Å; T390-M393 PolarHBondContact O-N 2.8Å; T390-L395 HydrophobicContact CG2-CD1 4.38Å; T390-L395 HydrophobicContact CG2-CD2 4.2Å; T390-L401 HydrophobicContact CG2-CD2 4.12Å; T390-F457 HydrophobicContact CG2-CZ 3.95Å
391	K	85	Confident	89.6	Confident	91 Å²	91	55.6 Å²	55.6	40%	0.396	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.3	178.8	-176.8	179.2	177.7	176.3	0	112.7	D39 R387 I388	D39-K391 VanDerWaalsContact CG-CE 3.48Å; D39-K391 IonicContact OD1-NZ 3.27Å; D39-K391 PolarHBondContact OD1-NZ 3.38Å; D39-K391 WeakPolarHBondContact OD2-CE 3.42Å; D39-K391 IonicContact OD2-NZ 2.96Å; D39-K391 PolarHBondContact OD2-NZ 3.03Å; R387-K391 WeakPolarHBondContact O-CA 3.48Å; R387-K391 WeakPolarHBondContact O-CB 3.33Å; R387-K391 PolarHBondContact O-N 3.25Å; I388-K391 WeakPolarHBondContact O-CB 3.34Å; I388-K391 PolarHBondContact O-N 3.45Å
392	R	79.3	Confident	89.9	Confident	120 Å²	120	61 Å²	61	45%	0.453	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.3	179.3	-59.1	-179.5	-175.3	-174.3	-0.5	113.9	T160 M163 T390	T160-R392 HydrophobicContact CG2-CB 4.17Å; T160-R392 HydrophobicContact CG2-CG 4.18Å; M163-R392 VanDerWaalsContact CA-O 3.31Å; M163-R392 WeakPolarHBondContact CA-O 3.37Å; T390-R392 PolarHBondContact O-N 2.83Å; T390-R392 VanDerWaalsContact O-N 3.07Å
393	M	85.5	Confident	90	Very high	40 Å²	40	63.2 Å²	63.2	20%	0.197	30%	0.298	C	S	.	.	S	Bend	trans	-95.1	138.8	-177.3	-61.3	178.6	177	0	0	109.9	T390 L395 C420 A424	T390-M393 HydrophobicContact CG2-SD 4.19Å; T390-M393 PolarHBondContact O-N 2.8Å; M393-L395 HydrophobicContact CB-CD2 4.25Å; M393-L395 PolarHBondContact O-N 3.09Å; M393-C420 HydrophobicContact CE-CB 3.84Å; M393-C420 HydrophobicContact SD-CB 4.16Å; M393-A424 HydrophobicContact CE-CB 4Å; M393-A424 HydrophobicContact SD-CB 4.31Å
394	R	85.5	Confident	90.1	Very high	121 Å²	121	62.6 Å²	62.6	46%	0.457	30%	0.295	S	S	.	.			trans	-76.3	109.8	165.3	-174.4	177.7	-177.8	159.7	4.6	107.5	D448 A451 V452	R394-D448 WeakPolarHBondContact CD-O 3.36Å; R394-D448 PolarHBondContact NH1-O 3.43Å; R394-D448 IonicContact NH1-OD1 2.7Å; R394-D448 PolarHBondContact NH1-OD1 2.68Å; R394-D448 IonicContact NH1-OD2 3Å; R394-D448 PolarHBondContact NH1-OD2 3.45Å; R394-A451 HydrophobicContact CG-CB 4.09Å; R394-A451 CarbonylContact O-C 3.52Å; R394-A451 WeakPolarHBondContact O-CA 3.49Å; R394-V452 PolarHBondContact O-N 2.98Å
395	L	90.7	Very high	90.1	Very high	49 Å²	49	61.3 Å²	61.3	26%	0.257	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-88.8	144.6	173.9	-59.6	-178	0	0	0	109.5	T390 M393 V399 L401 V452 F457	T390-L395 HydrophobicContact CG2-CD1 4.38Å; T390-L395 HydrophobicContact CG2-CD2 4.2Å; M393-L395 HydrophobicContact CB-CD2 4.25Å; M393-L395 PolarHBondContact O-N 3.09Å; L395-V399 HydrophobicContact CB-CB 4.32Å; L395-V399 HydrophobicContact CB-CG2 4.35Å; L395-V399 HydrophobicContact CD1-CG1 4.15Å; L395-V399 HydrophobicContact CD2-CG1 4.36Å; L395-L401 HydrophobicContact CD1-CD1 4.06Å; L395-L401 HydrophobicContact CD1-CD2 4.12Å; L395-L401 HydrophobicContact CD1-CG 4.26Å; L395-V452 HydrophobicContact CD2-CB 4.3Å; L395-F457 HydrophobicContact CD2-CE2 3.91Å; L395-F457 HydrophobicContact CD2-CZ 4.19Å
396	A	91.5	Very high	89.7	Confident	25 Å²	25	63.9 Å²	63.9	21%	0.207	30%	0.303	C	S	.	.			trans	-77.8	158.1	167.9	0	0	0	0	0	110.8	D398 V399 A451 V452 T453	A396-D398 WeakPolarHBondContact CB-OD1 3.36Å; A396-D398 PolarHBondContact O-N 3.2Å; A396-D398 VanDerWaalsContact O-N 3.16Å; A396-V399 HydrophobicContact CB-CG2 4.49Å; A396-V399 WeakPolarHBondContact O-CB 3.35Å; A396-V399 WeakPolarHBondContact O-CG2 3.3Å; A396-V399 PolarHBondContact O-N 3.33Å; A396-V399 VanDerWaalsContact O-N 3.11Å; A396-A451 HydrophobicContact CB-CB 4.31Å; A396-V452 WeakPolarHBondContact CB-O 3.33Å; A396-V452 PolarHBondContact N-O 3.07Å; A396-T453 HydrophobicContact CB-CG2 4.17Å
397	D	90.4	Very high	89.2	Confident	178 Å²	178	68.3 Å²	68.3	95%	0.952	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.6	-173.8	-62.5	-33.7	0	0	0	113.6	V399	D397-V399 VanDerWaalsContact C-N 3.32Å
398	D	93.9	Very high	88.9	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.2	177.6	67.3	-49.1	0	0	0	113.5	A396 D400 M454	A396-D398 WeakPolarHBondContact CB-OD1 3.36Å; A396-D398 PolarHBondContact O-N 3.2Å; A396-D398 VanDerWaalsContact O-N 3.16Å; D398-D400 PolarHBondContact O-N 2.92Å; D398-M454 WeakPolarHBondContact OD2-CB 3.2Å; D398-M454 PolarHBondContact OD2-N 2.95Å
399	V	93.6	Very high	88.2	Confident	22 Å²	22	61.3 Å²	61.3	13%	0.133	30%	0.296	C	S	.	.			trans	-75.9	112.5	-176	179.5	0	0	0	0	111	L395 A396 D397 L401 I404 V452 F457	L395-V399 HydrophobicContact CB-CB 4.32Å; L395-V399 HydrophobicContact CB-CG2 4.35Å; L395-V399 HydrophobicContact CD1-CG1 4.15Å; L395-V399 HydrophobicContact CD2-CG1 4.36Å; A396-V399 HydrophobicContact CB-CG2 4.49Å; A396-V399 WeakPolarHBondContact O-CB 3.35Å; A396-V399 WeakPolarHBondContact O-CG2 3.3Å; A396-V399 PolarHBondContact O-N 3.33Å; A396-V399 VanDerWaalsContact O-N 3.11Å; D397-V399 VanDerWaalsContact C-N 3.32Å; V399-L401 HydrophobicContact CG1-CD2 3.83Å; V399-L401 HydrophobicContact CG1-CG 4.34Å; V399-I404 HydrophobicContact CG1-CD1 4.47Å; V399-V452 VanDerWaalsContact CG2-O 3.26Å; V399-V452 WeakPolarHBondContact CG2-O 3.48Å; V399-F457 HydrophobicContact CG1-CD2 4.04Å; V399-F457 HydrophobicContact CG1-CE2 3.88Å; V399-F457 HydrophobicContact CG2-CD2 4.41Å; V399-F457 HydrophobicContact CG2-CE2 4.43Å
400	D	92.6	Very high	87.4	Confident	72 Å²	72	57.9 Å²	57.9	39%	0.385	28%	0.281	S	S	.	.			trans	-101.8	99.2	170.9	-171.7	-14.6	0	0	0	110.9	D398 E402 Q403 I404	D398-D400 PolarHBondContact O-N 2.92Å; D400-E402 VanDerWaalsContact C-N 3.25Å; D400-E402 PolarHBondContact O-N 2.97Å; D400-E402 WeakPolarHBondContact OD1-CA 3.49Å; D400-E402 VanDerWaalsContact OD1-CB 3.3Å; D400-E402 WeakPolarHBondContact OD1-CB 3.16Å; D400-E402 PolarHBondContact OD1-N 2.93Å; D400-Q403 HydrophobicContact CB-CB 3.9Å; D400-Q403 PolarHBondContact O-N 2.87Å; D400-Q403 PolarHBondContact OD1-N 3.07Å; D400-I404 WeakPolarHBondContact O-CG1 3.39Å; D400-I404 PolarHBondContact O-N 3.05Å
401	L	92.9	Very high	87.2	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-26.8	176.8	-61.3	-179.2	0	0	0	112.8	L383 L386 R387 T390 L395 V399 I404 A405	L383-L401 HydrophobicContact CD1-CB 3.68Å; L386-L401 HydrophobicContact CB-CD2 4.49Å; L386-L401 WeakPolarHBondContact CD1-O 3.36Å; R387-L401 HydrophobicContact CG-CD1 3.99Å; T390-L401 HydrophobicContact CG2-CD2 4.12Å; L395-L401 HydrophobicContact CD1-CD1 4.06Å; L395-L401 HydrophobicContact CD1-CD2 4.12Å; L395-L401 HydrophobicContact CD1-CG 4.26Å; V399-L401 HydrophobicContact CG1-CD2 3.83Å; V399-L401 HydrophobicContact CG1-CG 4.34Å; L401-I404 HydrophobicContact CD2-CD1 4.28Å; L401-I404 PolarHBondContact O-N 3.49Å; L401-A405 WeakPolarHBondContact O-CB 3.45Å; L401-A405 PolarHBondContact O-N 2.96Å
402	E	90.6	Very high	87.4	Confident	115 Å²	115	54 Å²	54	54%	0.537	26%	0.263	S	S	.	.	H	α-helix	trans	-72.2	-39	178	-172.2	170.6	-176.7	0	0	110.4	L383 D400 A405 N406	L383-E402 HydrophobicContact CD1-CB 4.44Å; D400-E402 VanDerWaalsContact C-N 3.25Å; D400-E402 PolarHBondContact O-N 2.97Å; D400-E402 WeakPolarHBondContact OD1-CA 3.49Å; D400-E402 VanDerWaalsContact OD1-CB 3.3Å; D400-E402 WeakPolarHBondContact OD1-CB 3.16Å; D400-E402 PolarHBondContact OD1-N 2.93Å; E402-A405 PolarHBondContact O-N 2.82Å; E402-N406 PolarHBondContact O-N 3.27Å; E402-N406 PolarHBondContact O-ND2 3.38Å; E402-N406 VanDerWaalsContact O-ND2 3.09Å
403	Q	90.1	Very high	88	Confident	64 Å²	64	49.1 Å²	49.1	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-58.3	-49.3	170.1	-177.8	174	1.9	0	0	111.5	D400 A405 N406 E407 M454	D400-Q403 HydrophobicContact CB-CB 3.9Å; D400-Q403 PolarHBondContact O-N 2.87Å; D400-Q403 PolarHBondContact OD1-N 3.07Å; Q403-A405 VanDerWaalsContact C-N 3.32Å; Q403-A405 PolarHBondContact O-N 3.36Å; Q403-N406 PolarHBondContact O-N 3.2Å; Q403-E407 VanDerWaalsContact CG-OE1 3.32Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.19Å; Q403-E407 PolarHBondContact NE2-OE1 2.93Å; Q403-E407 WeakPolarHBondContact O-CG 3.12Å; Q403-E407 PolarHBondContact O-N 3.15Å; Q403-M454 HydrophobicContact CB-CE 4.16Å; Q403-M454 HydrophobicContact CG-CE 4Å
404	I	92.7	Very high	88.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-40.8	178.7	-61.3	164.9	0	0	0	110.9	L386 V399 D400 L401 N406 E407 S408 L419 M454 F457 M461	L386-I404 HydrophobicContact CD1-CB 3.99Å; L386-I404 HydrophobicContact CD1-CG2 3.77Å; L386-I404 HydrophobicContact CD2-CG2 4.18Å; V399-I404 HydrophobicContact CG1-CD1 4.47Å; D400-I404 WeakPolarHBondContact O-CG1 3.39Å; D400-I404 PolarHBondContact O-N 3.05Å; L401-I404 HydrophobicContact CD2-CD1 4.28Å; L401-I404 PolarHBondContact O-N 3.49Å; I404-N406 VanDerWaalsContact C-N 3.32Å; I404-N406 PolarHBondContact O-N 3.04Å; I404-E407 PolarHBondContact O-N 3.08Å; I404-S408 VanDerWaalsContact O-CB 3.22Å; I404-S408 WeakPolarHBondContact O-CB 3.45Å; I404-S408 PolarHBondContact O-N 3.14Å; I404-S408 PolarHBondContact O-OG 3.08Å; I404-L419 HydrophobicContact CG2-CD2 3.67Å; I404-M454 HydrophobicContact CD1-CE 4.46Å; I404-M454 HydrophobicContact CD1-SD 3.97Å; I404-M454 HydrophobicContact CG1-CE 3.94Å; I404-M454 HydrophobicContact CG1-SD 4.11Å; I404-F457 HydrophobicContact CD1-CB 3.64Å; I404-F457 HydrophobicContact CD1-CD1 3.65Å; I404-F457 HydrophobicContact CD1-CD2 3.95Å; I404-F457 HydrophobicContact CD1-CE1 4.25Å; I404-F457 HydrophobicContact CD1-CG 3.47Å; I404-F457 VanDerWaalsContact CD1-CG 3.47Å; I404-F457 HydrophobicContact CG1-CB 4.4Å; I404-M461 HydrophobicContact CG1-CE 4.49Å; I404-M461 HydrophobicContact CG2-SD 4.11Å
405	A	88.6	Confident	88.6	Confident	1 Å²	1	44 Å²	44	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-40.4	177.1	0	0	0	0	0	112	R382 L383 L386 L401 E402 Q403 S408	R382-A405 HydrophobicContact CB-CB 4.18Å; R382-A405 VanDerWaalsContact CZ-O 3.25Å; R382-A405 PolarHBondContact NE-O 2.85Å; R382-A405 PolarHBondContact NH2-O 2.84Å; L383-A405 HydrophobicContact CB-CB 3.8Å; L386-A405 HydrophobicContact CD1-CB 3.98Å; L401-A405 WeakPolarHBondContact O-CB 3.45Å; L401-A405 PolarHBondContact O-N 2.96Å; E402-A405 PolarHBondContact O-N 2.82Å; Q403-A405 VanDerWaalsContact C-N 3.32Å; Q403-A405 PolarHBondContact O-N 3.36Å; A405-S408 WeakPolarHBondContact CA-OG 3.09Å; A405-S408 PolarHBondContact O-OG 3.39Å
406	N	83.9	Confident	88.8	Confident	65 Å²	65	41.7 Å²	41.7	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-43.1	177	-73.1	-38.4	0	0	0	111.6	S379 E402 Q403 I404 H409	S379-N406 PolarHBondContact OG-OD1 2.97Å; E402-N406 PolarHBondContact O-N 3.27Å; E402-N406 PolarHBondContact O-ND2 3.38Å; E402-N406 VanDerWaalsContact O-ND2 3.09Å; Q403-N406 PolarHBondContact O-N 3.2Å; I404-N406 VanDerWaalsContact C-N 3.32Å; I404-N406 PolarHBondContact O-N 3.04Å; N406-H409 PolarHBondContact O-CD2 3.03Å; N406-H409 VanDerWaalsContact O-CD2 3.31Å; N406-H409 PolarHBondContact O-CE1 3.4Å; N406-H409 PolarHBondContact O-NE2 3.49Å
407	E	84.5	Confident	88.9	Confident	94 Å²	94	41.5 Å²	41.5	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-75.7	-23.4	-177.7	-67.4	176.2	-168.4	0	0	113.9	Q403 I404 H409 M461	Q403-E407 VanDerWaalsContact CG-OE1 3.32Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.19Å; Q403-E407 PolarHBondContact NE2-OE1 2.93Å; Q403-E407 WeakPolarHBondContact O-CG 3.12Å; Q403-E407 PolarHBondContact O-N 3.15Å; I404-E407 PolarHBondContact O-N 3.08Å; E407-H409 VanDerWaalsContact C-N 3.25Å; E407-H409 PolarHBondContact O-CD2 3.34Å; E407-H409 PolarHBondContact O-N 2.74Å; E407-M461 HydrophobicContact CB-SD 4.31Å; E407-M461 WeakPolarHBondContact OE2-CE 3.48Å
408	S	83.9	Confident	89	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.007	20%	0.197	C	C	.	.			trans	-82.1	46.6	-177.2	53.7	0	0	0	0	114.6	R382 I404 A405 G410 Y411	R382-S408 WeakPolarHBondContact CD-O 3.37Å; R382-S408 WeakPolarHBondContact CD-OG 3.15Å; R382-S408 PolarHBondContact NE-O 3.18Å; R382-S408 VanDerWaalsContact NE-O 3.13Å; R382-S408 PolarHBondContact NE-OG 2.99Å; I404-S408 VanDerWaalsContact O-CB 3.22Å; I404-S408 WeakPolarHBondContact O-CB 3.45Å; I404-S408 PolarHBondContact O-N 3.14Å; I404-S408 PolarHBondContact O-OG 3.08Å; A405-S408 WeakPolarHBondContact CA-OG 3.09Å; A405-S408 PolarHBondContact O-OG 3.39Å; S408-G410 PolarHBondContact O-N 3.4Å; S408-Y411 WeakPolarHBondContact O-CB 3.46Å; S408-Y411 WeakPolarHBondContact O-CD2 2.97Å; S408-Y411 PolarHBondContact O-N 3.27Å
409	H	75.5	Confident	89	Confident	42 Å²	42	31.5 Å²	31.5	19%	0.194	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.1	179.9	-57	-88	0	0	0	112.5	N406 E407 Y411 T476 N543	N406-H409 PolarHBondContact O-CD2 3.03Å; N406-H409 VanDerWaalsContact O-CD2 3.31Å; N406-H409 PolarHBondContact O-CE1 3.4Å; N406-H409 PolarHBondContact O-NE2 3.49Å; E407-H409 VanDerWaalsContact C-N 3.25Å; E407-H409 PolarHBondContact O-CD2 3.34Å; E407-H409 PolarHBondContact O-N 2.74Å; H409-Y411 WeakPolarHBondContact O-CD2 3.48Å; H409-Y411 PolarHBondContact O-N 2.98Å; H409-T476 HydrophobicContact CB-CG2 3.71Å; H409-N543 WeakPolarHBondContact CB-OD1 3.24Å
410	G	74.2	Confident	89	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.021	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-4.1	177.7	0	0	0	0	0	115.1	S408	S408-G410 PolarHBondContact O-N 3.4Å
411	Y	86.4	Confident	89	Confident	19 Å²	19	30 Å²	30	8%	0.075	17%	0.172	C	C	.	.			trans	-68.3	134	177.2	-79.3	-129.7	0	0	0	110	P377 S408 H409 D415 L416 T464 P466	P377-Y411 WeakPolarHBondContact CG-O 3.35Å; S408-Y411 WeakPolarHBondContact O-CB 3.46Å; S408-Y411 WeakPolarHBondContact O-CD2 2.97Å; S408-Y411 PolarHBondContact O-N 3.27Å; H409-Y411 WeakPolarHBondContact O-CD2 3.48Å; H409-Y411 PolarHBondContact O-N 2.98Å; Y411-D415 HydrophobicContact CD1-CB 3.55Å; Y411-D415 HydrophobicContact CE1-CB 4.32Å; Y411-D415 HydrophobicContact CG-CB 3.96Å; Y411-L416 HydrophobicContact CD1-CD2 3.97Å; Y411-L416 HydrophobicContact CG-CD2 4.29Å; Y411-T464 HydrophobicContact CE1-CG2 3.72Å; Y411-T464 PolarHBondContact OH-O 3.18Å; Y411-P466 HydrophobicContact CD2-CB 3.9Å; Y411-P466 HydrophobicContact CD2-CG 4.43Å; Y411-P466 HydrophobicContact CE2-CB 4.12Å; Y411-P466 HydrophobicContact CE2-CG 4.23Å
412	V	89.4	Confident	89	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.			trans	-90.5	172.2	170	-56.7	0	0	0	0	111	C254 I376 A414 D415 L416 A468	C254-V412 VanDerWaalsContact SG-CG1 3.52Å; I376-V412 HydrophobicContact CG1-CG1 4.34Å; V412-A414 VanDerWaalsContact C-N 3.26Å; V412-A414 HydrophobicContact CG2-CB 4.2Å; V412-A414 PolarHBondContact O-N 3.15Å; V412-D415 HydrophobicContact CG2-CB 4.36Å; V412-D415 WeakPolarHBondContact CG2-OD2 3.31Å; V412-D415 PolarHBondContact N-OD2 2.84Å; V412-D415 WeakPolarHBondContact O-CB 3.4Å; V412-D415 PolarHBondContact O-N 3.08Å; V412-L416 PolarHBondContact O-N 3.49Å; V412-A468 HydrophobicContact CG1-CB 3.65Å
413	G	91.4	Very high	89.1	Confident	17 Å²	17	26 Å²	26	18%	0.175	15%	0.153	C	C	.	.	H	α-helix	trans	-53.5	-42	179.5	0	0	0	0	0	113.5	G253 D415 L416 A417	G253-G413 PolarHBondContact O-N 3.19Å; G413-D415 PolarHBondContact O-N 3.31Å; G413-L416 PolarHBondContact O-N 3.15Å; G413-A417 WeakPolarHBondContact O-CB 3.21Å; G413-A417 PolarHBondContact O-N 2.94Å
414	A	92.1	Very high	89.2	Confident	49 Å²	49	23.5 Å²	23.5	41%	0.405	14%	0.143	S	C	.	.	H	α-helix	trans	-65.4	-34.5	175.5	0	0	0	0	0	113.8	G253 V412 S418	G253-A414 PolarHBondContact O-N 3.29Å; V412-A414 VanDerWaalsContact C-N 3.26Å; V412-A414 HydrophobicContact CG2-CB 4.2Å; V412-A414 PolarHBondContact O-N 3.15Å; A414-S418 WeakPolarHBondContact O-CB 3.41Å; A414-S418 PolarHBondContact O-N 2.94Å
415	D	92.5	Very high	89.1	Confident	4 Å²	4	27 Å²	27	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-40.8	177.2	-61.5	-35.1	0	0	0	110.6	Y411 V412 G413 S418 L419 P466 S467	Y411-D415 HydrophobicContact CD1-CB 3.55Å; Y411-D415 HydrophobicContact CE1-CB 4.32Å; Y411-D415 HydrophobicContact CG-CB 3.96Å; V412-D415 HydrophobicContact CG2-CB 4.36Å; V412-D415 WeakPolarHBondContact CG2-OD2 3.31Å; V412-D415 PolarHBondContact N-OD2 2.84Å; V412-D415 WeakPolarHBondContact O-CB 3.4Å; V412-D415 PolarHBondContact O-N 3.08Å; G413-D415 PolarHBondContact O-N 3.31Å; D415-S418 WeakPolarHBondContact O-CB 3.18Å; D415-S418 PolarHBondContact O-N 3.23Å; D415-L419 WeakPolarHBondContact O-CB 3.16Å; D415-L419 PolarHBondContact O-N 3.17Å; D415-P466 WeakPolarHBondContact OD2-CA 3.48Å; D415-S467 VanDerWaalsContact CG-N 3.25Å; D415-S467 WeakPolarHBondContact OD1-CB 3.46Å; D415-S467 PolarHBondContact OD1-N 3.06Å; D415-S467 PolarHBondContact OD1-OG 3.22Å; D415-S467 PolarHBondContact OD2-N 3.38Å
416	L	94	Very high	89.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-39.4	175.9	-65.4	174.2	0	0	0	111.9	R382 V385 L386 Y411 V412 G413 S418 L419 C420	R382-L416 HydrophobicContact CB-CD1 3.82Å; R382-L416 HydrophobicContact CG-CD1 3.86Å; V385-L416 HydrophobicContact CB-CD1 3.75Å; V385-L416 HydrophobicContact CG1-CB 3.76Å; V385-L416 HydrophobicContact CG1-CD1 3.65Å; V385-L416 HydrophobicContact CG1-CG 4.36Å; L386-L416 HydrophobicContact CD2-CB 4.45Å; L386-L416 HydrophobicContact CD2-CD2 4.05Å; L386-L416 HydrophobicContact CG-CD2 4.27Å; Y411-L416 HydrophobicContact CD1-CD2 3.97Å; Y411-L416 HydrophobicContact CG-CD2 4.29Å; V412-L416 PolarHBondContact O-N 3.49Å; G413-L416 PolarHBondContact O-N 3.15Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 2.76Å; L416-L419 HydrophobicContact CD2-CD2 4.3Å; L416-L419 WeakPolarHBondContact O-CB 3.15Å; L416-L419 PolarHBondContact O-N 3.25Å; L416-C420 PolarHBondContact O-N 3.19Å; L416-C420 PolarHBondContact O-SG 3.3Å; L416-C420 VanDerWaalsContact O-SG 3.34Å
417	A	93.1	Very high	89.7	Confident	21 Å²	21	25.8 Å²	25.8	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-45.2	171.4	0	0	0	0	0	111.4	H389 G413 S421	H389-A417 VanDerWaalsContact CE1-CB 3.46Å; H389-A417 WeakPolarHBondContact CE1-CB 3.27Å; H389-A417 WeakPolarHBondContact NE2-CB 3.47Å; G413-A417 WeakPolarHBondContact O-CB 3.21Å; G413-A417 PolarHBondContact O-N 2.94Å; A417-S421 WeakPolarHBondContact O-CB 3.47Å; A417-S421 PolarHBondContact O-N 2.88Å; A417-S421 PolarHBondContact O-OG 3.32Å
418	S	93.1	Very high	89.8	Confident	51 Å²	51	24.1 Å²	24.1	36%	0.357	15%	0.147	S	C	.	.	H	α-helix	trans	-63.3	-40.8	174.9	-171.8	0	0	0	0	111.9	A414 D415 L416 S421 E422	A414-S418 WeakPolarHBondContact O-CB 3.41Å; A414-S418 PolarHBondContact O-N 2.94Å; D415-S418 WeakPolarHBondContact O-CB 3.18Å; D415-S418 PolarHBondContact O-N 3.23Å; L416-S418 VanDerWaalsContact C-N 3.32Å; L416-S418 PolarHBondContact O-N 2.76Å; S418-S421 PolarHBondContact O-N 3.15Å; S418-E422 WeakPolarHBondContact O-CB 3.45Å; S418-E422 WeakPolarHBondContact O-CG 3.39Å; S418-E422 PolarHBondContact O-N 3.16Å
419	L	94.4	Very high	90	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-50	177.3	179.1	72.5	0	0	0	111.2	L386 I404 D415 L416 S421 E422 G423 F457 A460 M461	L386-L419 HydrophobicContact CD2-CD2 4.39Å; I404-L419 HydrophobicContact CG2-CD2 3.67Å; D415-L419 WeakPolarHBondContact O-CB 3.16Å; D415-L419 PolarHBondContact O-N 3.17Å; L416-L419 HydrophobicContact CD2-CD2 4.3Å; L416-L419 WeakPolarHBondContact O-CB 3.15Å; L416-L419 PolarHBondContact O-N 3.25Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 3.05Å; L419-E422 PolarHBondContact O-N 3.28Å; L419-G423 PolarHBondContact O-N 2.77Å; L419-F457 HydrophobicContact CG-CD1 4.48Å; L419-A460 VanDerWaalsContact CD1-C 3.45Å; L419-A460 HydrophobicContact CD1-CB 3.59Å; L419-A460 HydrophobicContact CG-CB 4.44Å; L419-M461 HydrophobicContact CD1-CB 4.17Å; L419-M461 HydrophobicContact CD1-CG 3.51Å; L419-M461 VanDerWaalsContact CD1-N 3.3Å; L419-M461 HydrophobicContact CD2-CG 4.08Å; L419-M461 HydrophobicContact CG-CG 4.42Å
420	C	94.2	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-39.7	176.7	-63.5	0	0	0	0	111.7	H389 M393 L416 G423 A424 F457	H389-C420 HydrophobicContact CB-CB 4.1Å; M393-C420 HydrophobicContact CE-CB 3.84Å; M393-C420 HydrophobicContact SD-CB 4.16Å; L416-C420 PolarHBondContact O-N 3.19Å; L416-C420 PolarHBondContact O-SG 3.3Å; L416-C420 VanDerWaalsContact O-SG 3.34Å; C420-G423 PolarHBondContact O-N 3.22Å; C420-A424 WeakPolarHBondContact O-CB 3.11Å; C420-A424 PolarHBondContact O-N 3.45Å; C420-F457 HydrophobicContact CB-CE1 4.48Å
421	S	92.4	Very high	90.9	Very high	61 Å²	61	37.3 Å²	37.3	43%	0.427	20%	0.2	S	C	.	.	H	α-helix	trans	-65.1	-44.3	178.3	-56.4	0	0	0	0	112	A417 S418 L419 A424 L425	A417-S421 WeakPolarHBondContact O-CB 3.47Å; A417-S421 PolarHBondContact O-N 2.88Å; A417-S421 PolarHBondContact O-OG 3.32Å; S418-S421 PolarHBondContact O-N 3.15Å; L419-S421 VanDerWaalsContact C-N 3.3Å; L419-S421 PolarHBondContact O-N 3.05Å; S421-A424 PolarHBondContact O-N 2.83Å; S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 VanDerWaalsContact O-CG 3.3Å; S421-L425 WeakPolarHBondContact O-CG 3.41Å; S421-L425 PolarHBondContact O-N 2.86Å
422	E	92.6	Very high	90.4	Very high	56 Å²	56	41.2 Å²	41.2	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-39	176.1	-73.4	-62.8	150.6	0	0	111.8	S418 L419 L425 Q426 W459 A460	S418-E422 WeakPolarHBondContact O-CB 3.45Å; S418-E422 WeakPolarHBondContact O-CG 3.39Å; S418-E422 PolarHBondContact O-N 3.16Å; L419-E422 PolarHBondContact O-N 3.28Å; E422-L425 PolarHBondContact O-N 2.91Å; E422-Q426 WeakPolarHBondContact O-CB 3.46Å; E422-Q426 PolarHBondContact O-N 3.3Å; E422-W459 HydrophobicContact CB-CZ3 4.44Å; E422-A460 HydrophobicContact CB-CB 3.85Å
423	G	93.1	Very high	89.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.9	0	0	0	0	0	112.3	L419 C420 Q426 Q427 N456	L419-G423 PolarHBondContact O-N 2.77Å; C420-G423 PolarHBondContact O-N 3.22Å; G423-Q426 PolarHBondContact O-N 2.85Å; G423-Q427 PolarHBondContact O-N 3.39Å; G423-Q427 VanDerWaalsContact O-N 3.17Å; G423-N456 WeakPolarHBondContact O-CB 3.39Å
424	A	91.5	Very high	88.5	Confident	10 Å²	10	55.3 Å²	55.3	8%	0.083	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-42.3	175.5	0	0	0	0	0	112.3	M393 C420 S421 Q426 Q427 I428 V452	M393-A424 HydrophobicContact CE-CB 4Å; M393-A424 HydrophobicContact SD-CB 4.31Å; C420-A424 WeakPolarHBondContact O-CB 3.11Å; C420-A424 PolarHBondContact O-N 3.45Å; S421-A424 PolarHBondContact O-N 2.83Å; A424-Q426 VanDerWaalsContact C-N 3.32Å; A424-Q426 PolarHBondContact O-N 2.97Å; A424-Q427 PolarHBondContact O-N 3Å; A424-I428 WeakPolarHBondContact O-CG1 3.28Å; A424-I428 PolarHBondContact O-N 3.26Å; A424-V452 HydrophobicContact CB-CG2 4.27Å
425	L	91.1	Very high	87.4	Confident	74 Å²	74	54 Å²	54	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-38.2	175.8	-78.2	170	0	0	0	112.3	S421 E422 Q427 I428 R429	S421-L425 WeakPolarHBondContact O-CB 3.46Å; S421-L425 VanDerWaalsContact O-CG 3.3Å; S421-L425 WeakPolarHBondContact O-CG 3.41Å; S421-L425 PolarHBondContact O-N 2.86Å; E422-L425 PolarHBondContact O-N 2.91Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-I428 PolarHBondContact O-N 3.36Å; L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 2.72Å
426	Q	92.8	Very high	86.3	Confident	29 Å²	29	58.2 Å²	58.2	14%	0.136	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-42.2	175.6	180	57.5	22.4	0	0	111	E422 G423 A424 I428 R429 E430 N456 W459	E422-Q426 WeakPolarHBondContact O-CB 3.46Å; E422-Q426 PolarHBondContact O-N 3.3Å; G423-Q426 PolarHBondContact O-N 2.85Å; A424-Q426 VanDerWaalsContact C-N 3.32Å; A424-Q426 PolarHBondContact O-N 2.97Å; Q426-I428 VanDerWaalsContact C-N 3.34Å; Q426-I428 PolarHBondContact O-N 2.89Å; Q426-R429 WeakPolarHBondContact O-CB 3.47Å; Q426-R429 PolarHBondContact O-N 2.91Å; Q426-E430 PolarHBondContact NE2-OE1 3.24Å; Q426-E430 WeakPolarHBondContact O-CG 3.42Å; Q426-E430 PolarHBondContact O-N 3.43Å; Q426-N456 HydrophobicContact CB-CB 4.33Å; Q426-N456 HydrophobicContact CG-CB 4.3Å; Q426-W459 HydrophobicContact CB-CD2 4.48Å; Q426-W459 HydrophobicContact CB-CE3 3.9Å; Q426-W459 HydrophobicContact CB-CZ3 4.19Å; Q426-W459 HydrophobicContact CG-CD2 4.1Å; Q426-W459 HydrophobicContact CG-CE3 4.02Å; Q426-W459 HydrophobicContact CG-CG 4.32Å
427	Q	90.8	Very high	85.1	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-64.7	-38.5	175.8	-177.1	59.8	-7.2	0	0	112.7	G423 A424 L425 R429 E430 K431 A451 V452 N456	G423-Q427 PolarHBondContact O-N 3.39Å; G423-Q427 VanDerWaalsContact O-N 3.17Å; A424-Q427 PolarHBondContact O-N 3Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; Q427-R429 VanDerWaalsContact C-N 3.33Å; Q427-E430 PolarHBondContact O-N 3.43Å; Q427-E430 PolarHBondContact OE1-OE2 3.12Å; Q427-K431 PolarHBondContact O-N 3.16Å; Q427-A451 WeakPolarHBondContact CG-O 3.25Å; Q427-A451 PolarHBondContact NE2-O 3.37Å; Q427-V452 HydrophobicContact CB-CG2 4.35Å; Q427-N456 PolarHBondContact OE1-OD1 2.92Å
428	I	87.6	Confident	83.8	Confident	60 Å²	60	71.8 Å²	71.8	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-62.1	-42.9	174	-67.2	165.6	0	0	0	110.4	A424 L425 Q426 E430 K431 M432 I435	A424-I428 WeakPolarHBondContact O-CG1 3.28Å; A424-I428 PolarHBondContact O-N 3.26Å; L425-I428 PolarHBondContact O-N 3.36Å; Q426-I428 VanDerWaalsContact C-N 3.34Å; Q426-I428 PolarHBondContact O-N 2.89Å; I428-E430 PolarHBondContact O-N 3.41Å; I428-K431 CarbonylContact O-C 3.57Å; I428-K431 PolarHBondContact O-N 2.87Å; I428-M432 PolarHBondContact O-N 3.24Å; I428-I435 HydrophobicContact CG2-CD1 4.39Å
429	R	88	Confident	82.7	Confident	138 Å²	138	74.4 Å²	74.4	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-41.6	178.1	-72	176.1	-168.1	-176.6	8	112.4	L425 Q426 Q427 K431 M432	L425-R429 WeakPolarHBondContact O-CG 3.45Å; L425-R429 PolarHBondContact O-N 2.72Å; Q426-R429 WeakPolarHBondContact O-CB 3.47Å; Q426-R429 PolarHBondContact O-N 2.91Å; Q427-R429 VanDerWaalsContact C-N 3.33Å; R429-K431 PolarHBondContact O-N 2.98Å; R429-M432 WeakPolarHBondContact O-CB 3.33Å; R429-M432 PolarHBondContact O-N 2.73Å
430	E	87	Confident	81.3	Confident	104 Å²	104	82.6 Å²	82.6	49%	0.486	41%	0.411	S	S	.	.	H	α-helix	trans	-65.6	-25.3	178	-74.1	171.5	-165	0	0	113	Q426 Q427 I428 N456	Q426-E430 PolarHBondContact NE2-OE1 3.24Å; Q426-E430 WeakPolarHBondContact O-CG 3.42Å; Q426-E430 PolarHBondContact O-N 3.43Å; Q427-E430 PolarHBondContact O-N 3.43Å; Q427-E430 PolarHBondContact OE1-OE2 3.12Å; I428-E430 PolarHBondContact O-N 3.41Å; E430-N456 VanDerWaalsContact CD-ND2 3.33Å; E430-N456 PolarHBondContact OE1-ND2 3.46Å; E430-N456 VanDerWaalsContact OE1-ND2 3.13Å; E430-N456 PolarHBondContact OE2-ND2 3.46Å
431	K	81.4	Confident	79.9	Confident	79 Å²	79	85.4 Å²	85.4	34%	0.343	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	6.1	179	-62.5	-67.8	179.4	-178.1	0	113.5	Q427 I428 R429 E433 L434 L450	Q427-K431 PolarHBondContact O-N 3.16Å; I428-K431 CarbonylContact O-C 3.57Å; I428-K431 PolarHBondContact O-N 2.87Å; R429-K431 PolarHBondContact O-N 2.98Å; K431-E433 PolarHBondContact O-N 3.39Å; K431-L434 HydrophobicContact CD-CD1 3.88Å; K431-L434 WeakPolarHBondContact O-CB 3.25Å; K431-L434 PolarHBondContact O-N 2.75Å; K431-L450 HydrophobicContact CB-CD2 3.67Å; K431-L450 HydrophobicContact CG-CD2 3.85Å
432	M	76.1	Confident	78.7	Confident	101 Å²	101	85.8 Å²	85.8	50%	0.498	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-61.7	-30.8	-174.5	-170.8	174.5	136.9	0	0	112.7	I428 R429 L434 I435 L437	I428-M432 PolarHBondContact O-N 3.24Å; R429-M432 WeakPolarHBondContact O-CB 3.33Å; R429-M432 PolarHBondContact O-N 2.73Å; M432-L434 PolarHBondContact O-N 3.07Å; M432-I435 PolarHBondContact O-N 2.78Å; M432-I435 VanDerWaalsContact O-N 3.08Å; M432-L437 HydrophobicContact CE-CD1 3.96Å
433	E	72.2	Confident	77.5	Confident	200 Å²	200	87.5 Å²	87.5	94%	0.935	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-64.3	-18.2	175.6	-64.4	-175.7	172.1	0	0	113.8	K431	K431-E433 PolarHBondContact O-N 3.39Å
434	L	69.8	Low	76.3	Confident	114 Å²	114	88.2 Å²	88.2	60%	0.597	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-94.5	-8.9	176.8	-60.6	169	0	0	0	112.7	K431 M432	K431-L434 HydrophobicContact CD-CD1 3.88Å; K431-L434 WeakPolarHBondContact O-CB 3.25Å; K431-L434 PolarHBondContact O-N 2.75Å; M432-L434 PolarHBondContact O-N 3.07Å
435	I	68.8	Low	75.2	Confident	20 Å²	20	95.3 Å²	95.3	10%	0.103	47%	0.472	C	S	.	.	S	Bend	trans	-102.6	111.2	-177.2	-57.9	171.4	0	0	0	107.3	I428 M432 L437 I442 V446	I428-I435 HydrophobicContact CG2-CD1 4.39Å; M432-I435 PolarHBondContact O-N 2.78Å; M432-I435 VanDerWaalsContact O-N 3.08Å; I435-L437 HydrophobicContact CG2-CD2 4.22Å; I435-L437 PolarHBondContact O-N 3.05Å; I435-I442 HydrophobicContact CG2-CD1 4.12Å; I435-I442 HydrophobicContact CG2-CG1 4.28Å; I435-V446 HydrophobicContact CG1-CG1 4.03Å
436	D	68.5	Low	74.3	Confident	94 Å²	94	93.6 Å²	93.6	50%	0.503	47%	0.465	S	S	.	.			trans	-73.5	109.9	168.3	-163	-19.5	0	0	0	108.9	E438	D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 WeakPolarHBondContact OD1-CB 3.32Å; D436-E438 PolarHBondContact OD1-N 3.3Å
437	L	68.4	Low	73.3	Confident	127 Å²	127	94.2 Å²	94.2	67%	0.665	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.2	179.7	-68.5	170.4	0	0	0	112.6	M432 I435 D439	M432-L437 HydrophobicContact CE-CD1 3.96Å; I435-L437 HydrophobicContact CG2-CD2 4.22Å; I435-L437 PolarHBondContact O-N 3.05Å; L437-D439 VanDerWaalsContact C-N 3.34Å
438	E	67	Low	72.3	Confident	178 Å²	178	97.4 Å²	97.4	83%	0.832	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.4	177.2	-60.5	-170.3	171.2	0	0	112.2	D436	D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 WeakPolarHBondContact OD1-CB 3.32Å; D436-E438 PolarHBondContact OD1-N 3.3Å
439	D	68.2	Low	71.9	Confident	106 Å²	106	97.6 Å²	97.6	57%	0.567	49%	0.493	S	S	*	.	S	Bend	trans	-81.8	127	172.9	-81.1	-27.4	0	0	0	110.7	L437 V441	L437-D439 VanDerWaalsContact C-N 3.34Å; D439-V441 PolarHBondContact O-N 2.89Å
440	D	66.6	Low	71.6	Confident	173 Å²	173	91.2 Å²	91.2	93%	0.925	47%	0.469	S	S	*	.	S	Bend	trans	-61.4	-9.9	175.9	-75.4	-34.8	0	0	0	112.9
441	V	64.1	Low	71.7	Confident	58 Å²	58	87.3 Å²	87.3	35%	0.352	46%	0.455	S	S	.	.	S	Bend	trans	-142.3	130.5	-177.5	-156.3	0	0	0	0	112.7	T132 D439	T132-V441 HydrophobicContact CG2-CB 4.38Å; T132-V441 HydrophobicContact CG2-CG1 3.66Å; T132-V441 HydrophobicContact CG2-CG2 4.09Å; T132-V441 WeakPolarHBondContact OG1-CG1 3.39Å; D439-V441 PolarHBondContact O-N 2.89Å
442	I	68	Low	72.2	Confident	70 Å²	70	83.5 Å²	83.5	36%	0.359	44%	0.438	S	S	.	.			trans	-89.5	133.1	-179.9	-54.4	171.7	0	0	0	109.5	I435 A444 V446 L447	I435-I442 HydrophobicContact CG2-CD1 4.12Å; I435-I442 HydrophobicContact CG2-CG1 4.28Å; I442-A444 PolarHBondContact O-N 3.07Å; I442-V446 HydrophobicContact CG2-CB 4.27Å; I442-V446 HydrophobicContact CG2-CG1 4.27Å; I442-L447 HydrophobicContact CB-CD2 4.36Å; I442-L447 HydrophobicContact CB-CG 4.4Å; I442-L447 HydrophobicContact CG2-CD2 3.88Å; I442-L447 HydrophobicContact CG2-CG 3.91Å
443	D	67.4	Low	73.1	Confident	91 Å²	91	80.5 Å²	80.5	49%	0.487	43%	0.425	S	S	.	.			trans	-59.1	132.9	176.1	-170.8	-62.4	0	0	0	111.4	Q445 V446 L447	D443-Q445 PolarHBondContact O-N 3.1Å; D443-Q445 WeakPolarHBondContact OD1-CA 2.9Å; D443-Q445 WeakPolarHBondContact OD1-CB 3.49Å; D443-Q445 WeakPolarHBondContact OD1-CG 3.36Å; D443-Q445 PolarHBondContact OD1-N 2.79Å; D443-V446 HydrophobicContact CB-CG2 4.08Å; D443-V446 WeakPolarHBondContact O-CB 3.44Å; D443-V446 PolarHBondContact O-N 3.44Å; D443-L447 PolarHBondContact O-N 2.91Å; D443-L447 VanDerWaalsContact O-N 3.1Å
444	A	67.8	Low	74.2	Confident	15 Å²	15	71.3 Å²	71.3	12%	0.124	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-25.6	-177.9	0	0	0	0	0	113.9	V138 I442 L447 D448	V138-A444 HydrophobicContact CG2-CB 3.59Å; I442-A444 PolarHBondContact O-N 3.07Å; A444-L447 PolarHBondContact O-N 3.44Å; A444-D448 WeakPolarHBondContact O-CB 3.49Å; A444-D448 PolarHBondContact O-N 3.4Å
445	Q	67.3	Low	75.3	Confident	159 Å²	159	70.7 Å²	70.7	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-69.3	-37.3	172.7	-60.8	-177.9	4.6	0	0	111.6	D443 L447 D448 S449	D443-Q445 PolarHBondContact O-N 3.1Å; D443-Q445 WeakPolarHBondContact OD1-CA 2.9Å; D443-Q445 WeakPolarHBondContact OD1-CB 3.49Å; D443-Q445 WeakPolarHBondContact OD1-CG 3.36Å; D443-Q445 PolarHBondContact OD1-N 2.79Å; Q445-L447 VanDerWaalsContact C-N 3.35Å; Q445-D448 PolarHBondContact O-N 3.23Å; Q445-S449 PolarHBondContact O-N 2.7Å
446	V	72	Confident	76.6	Confident	39 Å²	39	69.8 Å²	69.8	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-45.7	173.3	177.7	0	0	0	0	109.1	I435 I442 D443 D448 S449	I435-V446 HydrophobicContact CG1-CG1 4.03Å; I442-V446 HydrophobicContact CG2-CB 4.27Å; I442-V446 HydrophobicContact CG2-CG1 4.27Å; D443-V446 HydrophobicContact CB-CG2 4.08Å; D443-V446 WeakPolarHBondContact O-CB 3.44Å; D443-V446 PolarHBondContact O-N 3.44Å; V446-D448 VanDerWaalsContact C-N 3.33Å; V446-D448 PolarHBondContact O-N 3.07Å; V446-S449 PolarHBondContact O-N 3.44Å; V446-S449 PolarHBondContact O-OG 3.2Å
447	L	72.3	Confident	77.8	Confident	42 Å²	42	65.3 Å²	65.3	22%	0.22	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-39.3	175.2	-64.6	175	0	0	0	112.6	A162 I442 D443 A444 Q445 S449 L450	A162-L447 HydrophobicContact CB-CB 3.88Å; A162-L447 HydrophobicContact CB-CD1 4.35Å; I442-L447 HydrophobicContact CB-CD2 4.36Å; I442-L447 HydrophobicContact CB-CG 4.4Å; I442-L447 HydrophobicContact CG2-CD2 3.88Å; I442-L447 HydrophobicContact CG2-CG 3.91Å; D443-L447 PolarHBondContact O-N 2.91Å; D443-L447 VanDerWaalsContact O-N 3.1Å; A444-L447 PolarHBondContact O-N 3.44Å; Q445-L447 VanDerWaalsContact C-N 3.35Å; L447-S449 VanDerWaalsContact C-N 3.27Å; L447-S449 PolarHBondContact O-N 3.35Å; L447-L450 HydrophobicContact CD2-CD1 4.16Å; L447-L450 WeakPolarHBondContact O-CB 3.26Å; L447-L450 PolarHBondContact O-N 3.21Å
448	D	70.9	Confident	79	Confident	77 Å²	77	65.3 Å²	65.3	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-35.5	177.4	-166.7	54.3	0	0	0	111.2	R394 A444 Q445 V446 L450	R394-D448 WeakPolarHBondContact CD-O 3.36Å; R394-D448 PolarHBondContact NH1-O 3.43Å; R394-D448 IonicContact NH1-OD1 2.7Å; R394-D448 PolarHBondContact NH1-OD1 2.68Å; R394-D448 IonicContact NH1-OD2 3Å; R394-D448 PolarHBondContact NH1-OD2 3.45Å; A444-D448 WeakPolarHBondContact O-CB 3.49Å; A444-D448 PolarHBondContact O-N 3.4Å; Q445-D448 PolarHBondContact O-N 3.23Å; V446-D448 VanDerWaalsContact C-N 3.33Å; V446-D448 PolarHBondContact O-N 3.07Å; D448-L450 PolarHBondContact O-N 3.35Å
449	S	77.5	Confident	80.2	Confident	64 Å²	64	60.5 Å²	60.5	45%	0.448	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.8	178.5	79.8	0	0	0	0	115	Q445 V446 L447 A451	Q445-S449 PolarHBondContact O-N 2.7Å; V446-S449 PolarHBondContact O-N 3.44Å; V446-S449 PolarHBondContact O-OG 3.2Å; L447-S449 VanDerWaalsContact C-N 3.27Å; L447-S449 PolarHBondContact O-N 3.35Å; S449-A451 PolarHBondContact O-N 3.5Å; S449-A451 VanDerWaalsContact O-N 3.09Å
450	L	82.7	Confident	81.4	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.29	C	S	.	.			trans	-80.3	87.8	-179.3	-62.5	174.2	0	0	0	111.1	M163 K431 L447 D448	M163-L450 HydrophobicContact CE-CB 3.69Å; M163-L450 HydrophobicContact CE-CD1 4.3Å; K431-L450 HydrophobicContact CB-CD2 3.67Å; K431-L450 HydrophobicContact CG-CD2 3.85Å; L447-L450 HydrophobicContact CD2-CD1 4.16Å; L447-L450 WeakPolarHBondContact O-CB 3.26Å; L447-L450 PolarHBondContact O-N 3.21Å; D448-L450 PolarHBondContact O-N 3.35Å
451	A	88.7	Confident	82.4	Confident	21 Å²	21	48.7 Å²	48.7	17%	0.174	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-101	125	169.5	0	0	0	0	0	111.1	R394 A396 Q427 S449	R394-A451 HydrophobicContact CG-CB 4.09Å; R394-A451 CarbonylContact O-C 3.52Å; R394-A451 WeakPolarHBondContact O-CA 3.49Å; A396-A451 HydrophobicContact CB-CB 4.31Å; Q427-A451 WeakPolarHBondContact CG-O 3.25Å; Q427-A451 PolarHBondContact NE2-O 3.37Å; S449-A451 PolarHBondContact O-N 3.5Å; S449-A451 VanDerWaalsContact O-N 3.09Å
452	V	92.2	Very high	83.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-76.7	128.2	178.4	-174	0	0	0	0	109.5	R394 L395 A396 V399 A424 Q427 N456 F457	R394-V452 PolarHBondContact O-N 2.98Å; L395-V452 HydrophobicContact CD2-CB 4.3Å; A396-V452 WeakPolarHBondContact CB-O 3.33Å; A396-V452 PolarHBondContact N-O 3.07Å; V399-V452 VanDerWaalsContact CG2-O 3.26Å; V399-V452 WeakPolarHBondContact CG2-O 3.48Å; A424-V452 HydrophobicContact CB-CG2 4.27Å; Q427-V452 HydrophobicContact CB-CG2 4.35Å; V452-N456 HydrophobicContact CG1-CB 4.04Å; V452-F457 HydrophobicContact CB-CE2 4.48Å; V452-F457 HydrophobicContact CG1-CD2 4.07Å; V452-F457 HydrophobicContact CG1-CE2 3.67Å; V452-F457 HydrophobicContact CG1-CZ 4.34Å
453	T	94.4	Very high	84.2	Confident	37 Å²	37	52.8 Å²	52.8	23%	0.227	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-99.4	166.3	-175.7	67.4	0	0	0	0	112.7	A396 D455 N456 F457	A396-T453 HydrophobicContact CB-CG2 4.17Å; T453-D455 VanDerWaalsContact C-N 3.26Å; T453-D455 PolarHBondContact O-N 3.04Å; T453-N456 PolarHBondContact N-OD1 3.33Å; T453-N456 PolarHBondContact O-N 3.39Å; T453-N456 PolarHBondContact OG1-N 2.68Å; T453-N456 PolarHBondContact OG1-OD1 3.31Å; T453-F457 WeakPolarHBondContact O-CD2 3.33Å; T453-F457 PolarHBondContact O-N 3.34Å
454	M	94.7	Very high	84.9	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-32.6	177	-172.2	58.4	173.8	0	0	112.1	D398 Q403 I404 N456 F457 R458	D398-M454 WeakPolarHBondContact OD2-CB 3.2Å; D398-M454 PolarHBondContact OD2-N 2.95Å; Q403-M454 HydrophobicContact CB-CE 4.16Å; Q403-M454 HydrophobicContact CG-CE 4Å; I404-M454 HydrophobicContact CD1-CE 4.46Å; I404-M454 HydrophobicContact CD1-SD 3.97Å; I404-M454 HydrophobicContact CG1-CE 3.94Å; I404-M454 HydrophobicContact CG1-SD 4.11Å; M454-N456 VanDerWaalsContact C-N 3.34Å; M454-N456 PolarHBondContact O-N 3.27Å; M454-F457 PolarHBondContact O-N 3.25Å; M454-R458 WeakPolarHBondContact O-CG 3.48Å; M454-R458 PolarHBondContact O-N 2.85Å
455	D	94.5	Very high	85.3	Confident	101 Å²	101	52.3 Å²	52.3	54%	0.54	27%	0.274	S	S	.	.	H	α-helix	trans	-67.7	-33.6	176.9	-75.5	-24.7	0	0	0	112.2	T453 F457 R458 W459	T453-D455 VanDerWaalsContact C-N 3.26Å; T453-D455 PolarHBondContact O-N 3.04Å; D455-F457 VanDerWaalsContact C-N 3.34Å; D455-F457 PolarHBondContact O-N 2.89Å; D455-R458 PolarHBondContact O-N 2.9Å; D455-R458 IonicContact OD1-NH1 3.4Å; D455-R458 PolarHBondContact OD1-NH1 2.77Å; D455-W459 WeakPolarHBondContact O-CB 3.43Å; D455-W459 PolarHBondContact O-N 3.37Å
456	N	94.3	Very high	85.6	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-40.6	171.7	-51.9	132.8	0	0	0	111.2	G423 Q426 Q427 E430 V452 T453 M454 W459 A460	G423-N456 WeakPolarHBondContact O-CB 3.39Å; Q426-N456 HydrophobicContact CB-CB 4.33Å; Q426-N456 HydrophobicContact CG-CB 4.3Å; Q427-N456 PolarHBondContact OE1-OD1 2.92Å; E430-N456 VanDerWaalsContact CD-ND2 3.33Å; E430-N456 PolarHBondContact OE1-ND2 3.46Å; E430-N456 VanDerWaalsContact OE1-ND2 3.13Å; E430-N456 PolarHBondContact OE2-ND2 3.46Å; V452-N456 HydrophobicContact CG1-CB 4.04Å; T453-N456 PolarHBondContact N-OD1 3.33Å; T453-N456 PolarHBondContact O-N 3.39Å; T453-N456 PolarHBondContact OG1-N 2.68Å; T453-N456 PolarHBondContact OG1-OD1 3.31Å; M454-N456 VanDerWaalsContact C-N 3.34Å; M454-N456 PolarHBondContact O-N 3.27Å; N456-W459 PolarHBondContact O-N 2.76Å; N456-A460 WeakPolarHBondContact O-CB 3.4Å; N456-A460 PolarHBondContact O-N 3.28Å
457	F	95	Very high	85.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-41.1	174.9	-82.2	-77.2	0	0	0	112.9	T390 L395 V399 I404 L419 C420 V452 T453 M454 D455 W459 A460 M461	T390-F457 HydrophobicContact CG2-CZ 3.95Å; L395-F457 HydrophobicContact CD2-CE2 3.91Å; L395-F457 HydrophobicContact CD2-CZ 4.19Å; V399-F457 HydrophobicContact CG1-CD2 4.04Å; V399-F457 HydrophobicContact CG1-CE2 3.88Å; V399-F457 HydrophobicContact CG2-CD2 4.41Å; V399-F457 HydrophobicContact CG2-CE2 4.43Å; I404-F457 HydrophobicContact CD1-CB 3.64Å; I404-F457 HydrophobicContact CD1-CD1 3.65Å; I404-F457 HydrophobicContact CD1-CD2 3.95Å; I404-F457 HydrophobicContact CD1-CE1 4.25Å; I404-F457 HydrophobicContact CD1-CG 3.47Å; I404-F457 VanDerWaalsContact CD1-CG 3.47Å; I404-F457 HydrophobicContact CG1-CB 4.4Å; L419-F457 HydrophobicContact CG-CD1 4.48Å; C420-F457 HydrophobicContact CB-CE1 4.48Å; V452-F457 HydrophobicContact CB-CE2 4.48Å; V452-F457 HydrophobicContact CG1-CD2 4.07Å; V452-F457 HydrophobicContact CG1-CE2 3.67Å; V452-F457 HydrophobicContact CG1-CZ 4.34Å; T453-F457 WeakPolarHBondContact O-CD2 3.33Å; T453-F457 PolarHBondContact O-N 3.34Å; M454-F457 PolarHBondContact O-N 3.25Å; D455-F457 VanDerWaalsContact C-N 3.34Å; D455-F457 PolarHBondContact O-N 2.89Å; F457-W459 VanDerWaalsContact C-N 3.32Å; F457-W459 PolarHBondContact O-N 3.39Å; F457-A460 PolarHBondContact O-N 2.85Å; F457-M461 WeakPolarHBondContact O-CG 3.4Å; F457-M461 PolarHBondContact O-N 3.5Å
458	R	92.3	Very high	84.9	Confident	128 Å²	128	44.8 Å²	44.8	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-42.5	174.1	-74	176.7	175.3	162.6	-0.1	112	M454 D455 M461 S462	M454-R458 WeakPolarHBondContact O-CG 3.48Å; M454-R458 PolarHBondContact O-N 2.85Å; D455-R458 PolarHBondContact O-N 2.9Å; D455-R458 IonicContact OD1-NH1 3.4Å; D455-R458 PolarHBondContact OD1-NH1 2.77Å; R458-M461 HydrophobicContact CG-CE 4.14Å; R458-M461 PolarHBondContact O-N 3.34Å; R458-S462 PolarHBondContact O-N 2.86Å
459	W	92.6	Very high	84.3	Confident	76 Å²	76	41.8 Å²	41.8	29%	0.288	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-46.7	173.3	-177.6	93.8	0	0	0	111	E422 Q426 D455 N456 F457 M461 S462 K463	E422-W459 HydrophobicContact CB-CZ3 4.44Å; Q426-W459 HydrophobicContact CB-CD2 4.48Å; Q426-W459 HydrophobicContact CB-CE3 3.9Å; Q426-W459 HydrophobicContact CB-CZ3 4.19Å; Q426-W459 HydrophobicContact CG-CD2 4.1Å; Q426-W459 HydrophobicContact CG-CE3 4.02Å; Q426-W459 HydrophobicContact CG-CG 4.32Å; D455-W459 WeakPolarHBondContact O-CB 3.43Å; D455-W459 PolarHBondContact O-N 3.37Å; N456-W459 PolarHBondContact O-N 2.76Å; F457-W459 VanDerWaalsContact C-N 3.32Å; F457-W459 PolarHBondContact O-N 3.39Å; W459-M461 PolarHBondContact O-N 3.32Å; W459-S462 WeakPolarHBondContact O-CB 3.39Å; W459-S462 PolarHBondContact O-N 2.88Å; W459-S462 VanDerWaalsContact O-N 3.1Å; W459-S462 PolarHBondContact O-OG 2.95Å; W459-K463 HydrophobicContact CD2-CG 4.28Å; W459-K463 HydrophobicContact CE3-CG 4.27Å; W459-K463 HydrophobicContact CH2-CG 3.92Å; W459-K463 HydrophobicContact CZ2-CD 4.42Å; W459-K463 HydrophobicContact CZ2-CG 3.95Å; W459-K463 HydrophobicContact CZ3-CG 4.09Å; W459-K463 PolarHBondContact O-N 3.13Å
460	A	93.2	Very high	83.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-42.5	178.6	0	0	0	0	0	112.1	L419 E422 N456 F457 S462 K463 T464	L419-A460 VanDerWaalsContact CD1-C 3.45Å; L419-A460 HydrophobicContact CD1-CB 3.59Å; L419-A460 HydrophobicContact CG-CB 4.44Å; E422-A460 HydrophobicContact CB-CB 3.85Å; N456-A460 WeakPolarHBondContact O-CB 3.4Å; N456-A460 PolarHBondContact O-N 3.28Å; F457-A460 PolarHBondContact O-N 2.85Å; A460-S462 PolarHBondContact O-N 2.96Å; A460-K463 PolarHBondContact O-N 3.25Å; A460-T464 PolarHBondContact O-N 3.27Å; A460-T464 PolarHBondContact O-OG1 3.41Å; A460-T464 VanDerWaalsContact O-OG1 3.13Å
461	M	88.2	Confident	81.9	Confident	31 Å²	31	52.5 Å²	52.5	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-32	175.7	-72.7	-169.9	-68.8	0	0	112.4	I404 E407 L419 F457 R458 W459 K463	I404-M461 HydrophobicContact CG1-CE 4.49Å; I404-M461 HydrophobicContact CG2-SD 4.11Å; E407-M461 HydrophobicContact CB-SD 4.31Å; E407-M461 WeakPolarHBondContact OE2-CE 3.48Å; L419-M461 HydrophobicContact CD1-CB 4.17Å; L419-M461 HydrophobicContact CD1-CG 3.51Å; L419-M461 VanDerWaalsContact CD1-N 3.3Å; L419-M461 HydrophobicContact CD2-CG 4.08Å; L419-M461 HydrophobicContact CG-CG 4.42Å; F457-M461 WeakPolarHBondContact O-CG 3.4Å; F457-M461 PolarHBondContact O-N 3.5Å; R458-M461 HydrophobicContact CG-CE 4.14Å; R458-M461 PolarHBondContact O-N 3.34Å; W459-M461 PolarHBondContact O-N 3.32Å; M461-K463 PolarHBondContact O-N 3.3Å
462	S	85.8	Confident	80.3	Confident	88 Å²	88	52.4 Å²	52.4	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-71.3	-15.2	174.9	82.6	0	0	0	0	114.1	R458 W459 A460	R458-S462 PolarHBondContact O-N 2.86Å; W459-S462 WeakPolarHBondContact O-CB 3.39Å; W459-S462 PolarHBondContact O-N 2.88Å; W459-S462 VanDerWaalsContact O-N 3.1Å; W459-S462 PolarHBondContact O-OG 2.95Å; A460-S462 PolarHBondContact O-N 2.96Å
463	K	85	Confident	78.6	Confident	127 Å²	127	57.3 Å²	57.3	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-107.4	-37.5	-177.6	-63.3	-59.1	-177.8	-174.2	0	113.2	W459 A460 M461	W459-K463 HydrophobicContact CD2-CG 4.28Å; W459-K463 HydrophobicContact CE3-CG 4.27Å; W459-K463 HydrophobicContact CH2-CG 3.92Å; W459-K463 HydrophobicContact CZ2-CD 4.42Å; W459-K463 HydrophobicContact CZ2-CG 3.95Å; W459-K463 HydrophobicContact CZ3-CG 4.09Å; W459-K463 PolarHBondContact O-N 3.13Å; A460-K463 PolarHBondContact O-N 3.25Å; M461-K463 PolarHBondContact O-N 3.3Å
464	T	81	Confident	77.2	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.092	28%	0.284	C	S	.	.			trans	-76.3	133.2	-179.1	-50.9	0	0	0	0	110.1	Y411 A460	Y411-T464 HydrophobicContact CE1-CG2 3.72Å; Y411-T464 PolarHBondContact OH-O 3.18Å; A460-T464 PolarHBondContact O-N 3.27Å; A460-T464 PolarHBondContact O-OG1 3.41Å; A460-T464 VanDerWaalsContact O-OG1 3.13Å
465	T	75.6	Confident	75.9	Confident	81 Å²	81	59.3 Å²	59.3	50%	0.497	30%	0.298	S	S	.	.			trans	-116.1	137.1	173.7	49.4	0	0	0	0	109.9	S467	T465-S467 PolarHBondContact O-N 2.96Å
466	P	73.7	Confident	74.8	Confident	26 Å²	26	58 Å²	58	17%	0.169	29%	0.294	C	S	.	.			trans	-64.1	123.4	-175.5	23.6	-32.6	0	0	0	111.8	Y411 D415 A468 L469	Y411-P466 HydrophobicContact CD2-CB 3.9Å; Y411-P466 HydrophobicContact CD2-CG 4.43Å; Y411-P466 HydrophobicContact CE2-CB 4.12Å; Y411-P466 HydrophobicContact CE2-CG 4.23Å; D415-P466 WeakPolarHBondContact OD2-CA 3.48Å; P466-A468 PolarHBondContact O-N 2.99Å; P466-L469 HydrophobicContact CB-CB 4.45Å; P466-L469 HydrophobicContact CB-CD1 3.74Å; P466-L469 HydrophobicContact CB-CG 3.99Å; P466-L469 HydrophobicContact CG-CB 4.17Å; P466-L469 HydrophobicContact CG-CD1 3.4Å; P466-L469 HydrophobicContact CG-CG 3.99Å; P466-L469 PolarHBondContact O-N 2.94Å
467	S	70.8	Confident	74	Confident	35 Å²	35	58.4 Å²	58.4	25%	0.245	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-69.2	-33.9	-174.6	-66.7	0	0	0	0	112.9	D415 T465 L469 R470	D415-S467 VanDerWaalsContact CG-N 3.25Å; D415-S467 WeakPolarHBondContact OD1-CB 3.46Å; D415-S467 PolarHBondContact OD1-N 3.06Å; D415-S467 PolarHBondContact OD1-OG 3.22Å; D415-S467 PolarHBondContact OD2-N 3.38Å; T465-S467 PolarHBondContact O-N 2.96Å; S467-L469 PolarHBondContact O-N 3.01Å; S467-L469 VanDerWaalsContact O-N 3.1Å; S467-R470 PolarHBondContact O-N 3.48Å
468	A	59.5	Low	73.2	Confident	21 Å²	21	64.1 Å²	64.1	17%	0.174	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-61.7	-18.9	177.4	0	0	0	0	0	113.2	P251 I376 V412 P466	P251-A468 HydrophobicContact CB-CB 3.96Å; P251-A468 HydrophobicContact CG-CB 4.37Å; I376-A468 HydrophobicContact CD1-CB 3.68Å; I376-A468 HydrophobicContact CG1-CB 4.17Å; V412-A468 HydrophobicContact CG1-CB 3.65Å; P466-A468 PolarHBondContact O-N 2.99Å
469	L	58	Low	72.9	Confident	14 Å²	14	59 Å²	59	7%	0.073	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-108.4	5.4	-169.9	-49.2	179.9	0	0	0	113	P466 S467 E471 T472 V474 A574	P466-L469 HydrophobicContact CB-CB 4.45Å; P466-L469 HydrophobicContact CB-CD1 3.74Å; P466-L469 HydrophobicContact CB-CG 3.99Å; P466-L469 HydrophobicContact CG-CB 4.17Å; P466-L469 HydrophobicContact CG-CD1 3.4Å; P466-L469 HydrophobicContact CG-CG 3.99Å; P466-L469 PolarHBondContact O-N 2.94Å; S467-L469 PolarHBondContact O-N 3.01Å; S467-L469 VanDerWaalsContact O-N 3.1Å; L469-E471 PolarHBondContact O-N 3.35Å; L469-T472 CarbonylContact O-C 3.54Å; L469-V474 HydrophobicContact CB-CB 3.75Å; L469-V474 HydrophobicContact CB-CG2 3.9Å; L469-V474 HydrophobicContact CD1-CB 3.6Å; L469-V474 HydrophobicContact CD1-CG1 3.89Å; L469-V474 HydrophobicContact CD1-CG2 4.43Å; L469-V474 HydrophobicContact CD2-CB 3.56Å; L469-V474 HydrophobicContact CD2-CG1 3.94Å; L469-V474 HydrophobicContact CD2-CG2 3.46Å; L469-V474 VanDerWaalsContact CD2-CG2 3.46Å; L469-V474 HydrophobicContact CG-CB 3.75Å; L469-V474 HydrophobicContact CG-CG1 4.37Å; L469-V474 HydrophobicContact CG-CG2 4.04Å; L469-A574 HydrophobicContact CD2-CB 4.41Å
470	R	57.3	Low	72.8	Confident	169 Å²	169	57.2 Å²	57.2	64%	0.638	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.6	-171.9	-73.6	-174.9	-174.9	179	6.1	115.6	S467	S467-R470 PolarHBondContact O-N 3.48Å
471	E	53.5	Low	72.8	Confident	125 Å²	125	58.7 Å²	58.7	58%	0.584	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.6	-176.3	-73	-174.9	173.2	0	0	114	R354 L469 K570	R354-E471 IonicContact NH2-OE1 3.73Å; R354-E471 PolarHBondContact NH2-OE1 3.48Å; L469-E471 PolarHBondContact O-N 3.35Å; E471-K570 WeakPolarHBondContact OE2-CE 3.49Å; E471-K570 IonicContact OE2-NZ 3.75Å; E471-K570 PolarHBondContact OE2-NZ 3.37Å
472	T	54.3	Low	72.9	Confident	19 Å²	19	62.6 Å²	62.6	12%	0.117	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	120.8	172	45.6	0	0	0	0	106	L469 V474 V567 K570	L469-T472 CarbonylContact O-C 3.54Å; T472-V474 WeakPolarHBondContact O-CG2 3.46Å; T472-V474 PolarHBondContact O-N 3.1Å; T472-V567 HydrophobicContact CG2-CG2 4.47Å; T472-K570 VanDerWaalsContact OG1-CD 3.31Å; T472-K570 WeakPolarHBondContact OG1-CD 3.37Å
473	V	57.4	Low	73.1	Confident	103 Å²	103	61.3 Å²	61.3	62%	0.624	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	99.4	-170	-167.1	0	0	0	0	109.5	E475	V473-E475 HydrophobicContact CG1-CG 3.6Å
474	V	64.1	Low	73.4	Confident	13 Å²	13	55.8 Å²	55.8	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.8	168.1	-174.4	0	0	0	0	105.7	L469 T472 N543 F544 I545 A574	L469-V474 HydrophobicContact CB-CB 3.75Å; L469-V474 HydrophobicContact CB-CG2 3.9Å; L469-V474 HydrophobicContact CD1-CB 3.6Å; L469-V474 HydrophobicContact CD1-CG1 3.89Å; L469-V474 HydrophobicContact CD1-CG2 4.43Å; L469-V474 HydrophobicContact CD2-CB 3.56Å; L469-V474 HydrophobicContact CD2-CG1 3.94Å; L469-V474 HydrophobicContact CD2-CG2 3.46Å; L469-V474 VanDerWaalsContact CD2-CG2 3.46Å; L469-V474 HydrophobicContact CG-CB 3.75Å; L469-V474 HydrophobicContact CG-CG1 4.37Å; L469-V474 HydrophobicContact CG-CG2 4.04Å; T472-V474 WeakPolarHBondContact O-CG2 3.46Å; T472-V474 PolarHBondContact O-N 3.1Å; V474-N543 HydrophobicContact CG1-CB 3.67Å; V474-F544 WeakPolarHBondContact CA-O 3.45Å; V474-I545 HydrophobicContact CB-CG1 4.09Å; V474-I545 HydrophobicContact CG1-CD1 4.4Å; V474-I545 HydrophobicContact CG1-CG1 3.8Å; V474-I545 HydrophobicContact CG2-CD1 3.72Å; V474-I545 HydrophobicContact CG2-CG1 3.62Å; V474-A574 HydrophobicContact CG1-CB 4.41Å
475	E	68.4	Low	73.9	Confident	73 Å²	73	55.6 Å²	55.6	34%	0.341	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.7	-176.5	-60.1	179.7	177.2	0	0	108.8	V473 P477 K534 F544	V473-E475 HydrophobicContact CG1-CG 3.6Å; E475-P477 WeakPolarHBondContact O-CD 3.47Å; E475-K534 IonicContact OE2-NZ 3.35Å; E475-K534 PolarHBondContact OE2-NZ 3.44Å; E475-F544 PolarHBondContact N-O 3.49Å; E475-F544 WeakPolarHBondContact O-CA 3.31Å; E475-F544 WeakPolarHBondContact O-CB 3.38Å; E475-F544 PolarHBondContact O-N 3.29Å
476	T	70.4	Confident	74.7	Confident	75 Å²	75	52.1 Å²	52.1	46%	0.46	28%	0.283	S	S	.	.			trans	-84.2	110.5	155.7	40.2	0	0	0	0	107.2	H409 T478	H409-T476 HydrophobicContact CB-CG2 3.71Å; T476-T478 PolarHBondContact O-N 3.46Å
477	P	77.2	Confident	75.6	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.052	28%	0.282	C	S	.	.			trans	-66.4	135	-176.9	26.9	-32.4	0	0	0	109.6	E475 K534 A537 H538 F544	E475-P477 WeakPolarHBondContact O-CD 3.47Å; P477-K534 HydrophobicContact CB-CB 3.91Å; P477-K534 HydrophobicContact CB-CG 4.33Å; P477-K534 VanDerWaalsContact CB-O 3.28Å; P477-K534 WeakPolarHBondContact CB-O 3.36Å; P477-K534 WeakPolarHBondContact CG-O 3.46Å; P477-A537 HydrophobicContact CG-CB 3.69Å; P477-H538 HydrophobicContact CB-CB 4.28Å; P477-H538 HydrophobicContact CG-CB 3.95Å; P477-H538 PolarHBondContact O-ND1 3.45Å; P477-F544 HydrophobicContact CB-CB 4.47Å; P477-F544 HydrophobicContact CG-CB 4.05Å
478	T	78.4	Confident	76.6	Confident	120 Å²	120	56.4 Å²	56.4	74%	0.736	30%	0.298	S	S	*	.			trans	-100	-3	175.6	54	0	0	0	0	112.7	T476	T476-T478 PolarHBondContact O-N 3.46Å
479	T	85.5	Confident	78.2	Confident	21 Å²	21	59.3 Å²	59.3	13%	0.129	32%	0.322	C	S	.	.			trans	-74.9	125.2	179.9	-51.6	0	0	0	0	109.4	D483 L531 A535 H538	T479-D483 HydrophobicContact CG2-CB 3.97Å; T479-L531 HydrophobicContact CG2-CD2 4.1Å; T479-A535 HydrophobicContact CG2-CB 4.43Å; T479-A535 WeakPolarHBondContact O-CA 3.45Å; T479-H538 WeakPolarHBondContact O-CB 3.45Å; T479-H538 PolarHBondContact O-CD2 3.17Å
480	T	90.8	Very high	79.9	Confident	37 Å²	37	59.3 Å²	59.3	23%	0.227	32%	0.322	C	S	.	.			trans	-103.2	168.5	176.9	64.6	0	0	0	0	110.8	N482 D483	T480-N482 PolarHBondContact O-N 3.07Å; T480-N482 VanDerWaalsContact O-N 3.13Å; T480-N482 PolarHBondContact OG1-N 3.39Å; T480-D483 PolarHBondContact N-OD2 3.22Å; T480-D483 WeakPolarHBondContact O-CB 3.48Å; T480-D483 PolarHBondContact O-N 3Å; T480-D483 PolarHBondContact OG1-OD2 3.34Å
481	W	93	Very high	81.6	Confident	31 Å²	31	52 Å²	52	12%	0.117	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.7	-23.3	171.4	-63.2	117.3	0	0	0	114.1	D483 I484 K491 L494 Q495 L532 A535 I536 E539	W481-D483 PolarHBondContact O-N 3.26Å; W481-I484 HydrophobicContact CE3-CD1 4.27Å; W481-I484 HydrophobicContact CZ3-CD1 4.4Å; W481-I484 PolarHBondContact O-N 3.48Å; W481-K491 HydrophobicContact CD2-CD 4.33Å; W481-K491 HydrophobicContact CD2-CG 4.47Å; W481-K491 HydrophobicContact CE3-CB 4.09Å; W481-K491 HydrophobicContact CE3-CD 3.69Å; W481-K491 HydrophobicContact CE3-CG 3.58Å; W481-K491 HydrophobicContact CH2-CB 4.41Å; W481-K491 HydrophobicContact CZ3-CB 3.98Å; W481-K491 HydrophobicContact CZ3-CD 4.27Å; W481-K491 HydrophobicContact CZ3-CG 3.62Å; W481-K491 PolarHBondContact O-NZ 3.01Å; W481-L494 HydrophobicContact CH2-CB 4.43Å; W481-L494 HydrophobicContact CH2-CD1 4.35Å; W481-Q495 HydrophobicContact CZ2-CG 4.26Å; W481-L532 HydrophobicContact CZ3-CD2 3.88Å; W481-A535 HydrophobicContact CD2-CB 4.12Å; W481-A535 HydrophobicContact CE3-CB 3.75Å; W481-A535 HydrophobicContact CH2-CB 4.29Å; W481-A535 HydrophobicContact CZ3-CB 3.84Å; W481-I536 HydrophobicContact CH2-CB 3.93Å; W481-I536 HydrophobicContact CH2-CD1 4.24Å; W481-I536 HydrophobicContact CZ2-CB 4.05Å; W481-I536 HydrophobicContact CZ2-CD1 3.77Å; W481-E539 HydrophobicContact CZ2-CB 4.48Å; W481-E539 VanDerWaalsContact NE1-CD 3.33Å; W481-E539 PolarHBondContact NE1-OE2 2.77Å; W481-E539 VanDerWaalsContact NE1-OE2 3.13Å
482	N	91.4	Very high	83.5	Confident	114 Å²	114	52 Å²	52	61%	0.61	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-72	-20.1	177.3	-64.7	-46.1	0	0	0	112.9	T480 I484	T480-N482 PolarHBondContact O-N 3.07Å; T480-N482 VanDerWaalsContact O-N 3.13Å; T480-N482 PolarHBondContact OG1-N 3.39Å; N482-I484 VanDerWaalsContact C-N 3.26Å
483	D	89.7	Confident	85.4	Confident	61 Å²	61	54.6 Å²	54.6	33%	0.326	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-84.1	-5.8	177.6	-55.4	-53.7	0	0	0	111.9	T479 T480 W481	T479-D483 HydrophobicContact CG2-CB 3.97Å; T480-D483 PolarHBondContact N-OD2 3.22Å; T480-D483 WeakPolarHBondContact O-CB 3.48Å; T480-D483 PolarHBondContact O-N 3Å; T480-D483 PolarHBondContact OG1-OD2 3.34Å; W481-D483 PolarHBondContact O-N 3.26Å
484	I	92.3	Very high	87.1	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.056	27%	0.274	C	S	.	.	S	Bend	trans	-114.3	108.6	-178.5	-54	179.9	0	0	0	109.7	W481 N482 K491 L531 L532 A535	W481-I484 HydrophobicContact CE3-CD1 4.27Å; W481-I484 HydrophobicContact CZ3-CD1 4.4Å; W481-I484 PolarHBondContact O-N 3.48Å; N482-I484 VanDerWaalsContact C-N 3.26Å; I484-K491 WeakPolarHBondContact O-CE 3.43Å; I484-K491 PolarHBondContact O-NZ 2.68Å; I484-L531 HydrophobicContact CD1-CB 4.03Å; I484-L531 WeakPolarHBondContact CD1-O 3.38Å; I484-L531 HydrophobicContact CG1-CB 4.12Å; I484-L532 HydrophobicContact CD1-CD2 3.88Å; I484-L532 HydrophobicContact CD1-CG 4.21Å; I484-L532 HydrophobicContact CG2-CD2 4.15Å; I484-A535 HydrophobicContact CD1-CB 3.54Å
485	G	91.1	Very high	88.4	Confident	10 Å²	10	51.5 Å²	51.5	10%	0.103	28%	0.282	C	S	.	.			trans	-77.2	125.5	175.8	0	0	0	0	0	112.9	I661	G485-I661 WeakPolarHBondContact O-CG1 3.5Å
486	G	92.3	Very high	89.4	Confident	8 Å²	8	51.6 Å²	51.6	8%	0.082	28%	0.282	C	S	.	.	S	Bend	trans	77.7	-156.4	177.3	0	0	0	0	0	113.9	E488 K491 S657	G486-E488 VanDerWaalsContact C-N 3.26Å; G486-E488 PolarHBondContact O-N 3.46Å; G486-K491 WeakPolarHBondContact O-CE 3.47Å; G486-K491 PolarHBondContact O-NZ 3.07Å; G486-S657 WeakPolarHBondContact CA-OG 3.41Å
487	L	92.2	Very high	90.3	Very high	28 Å²	28	49.3 Å²	49.3	15%	0.147	27%	0.267	C	S	.	.			trans	58.9	29.7	-179.8	-57.3	175.9	0	0	0	114.7	A489 V490 K491 L532 I650 P651	L487-A489 VanDerWaalsContact C-N 3.27Å; L487-A489 PolarHBondContact O-N 2.94Å; L487-V490 HydrophobicContact CB-CB 4.29Å; L487-V490 WeakPolarHBondContact O-CA 3.44Å; L487-V490 WeakPolarHBondContact O-CB 3.22Å; L487-V490 PolarHBondContact O-N 3.18Å; L487-K491 WeakPolarHBondContact O-CG 3.5Å; L487-K491 PolarHBondContact O-N 3.31Å; L487-L532 HydrophobicContact CD1-CD1 3.95Å; L487-I650 HydrophobicContact CD1-CG2 3.92Å; L487-I650 HydrophobicContact CD2-CG2 4.44Å; L487-P651 HydrophobicContact CD2-CG 4.25Å
488	E	92.9	Very high	90.8	Very high	124 Å²	124	49.4 Å²	49.4	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-56.2	-37.1	-174.2	-59.1	-54	138.3	0	0	113.8	G486 K491 K492	G486-E488 VanDerWaalsContact C-N 3.26Å; G486-E488 PolarHBondContact O-N 3.46Å; E488-K491 PolarHBondContact O-N 3.5Å; E488-K491 IonicContact OE1-NZ 3.07Å; E488-K491 PolarHBondContact OE1-NZ 2.94Å; E488-K491 IonicContact OE2-NZ 3.9Å; E488-K492 PolarHBondContact O-N 2.97Å; E488-K492 VanDerWaalsContact O-N 3.1Å
489	A	92.1	Very high	91.1	Very high	82 Å²	82	45.2 Å²	45.2	68%	0.678	24%	0.24	S	C	*	.	H	α-helix	trans	-63.5	-42	175.1	0	0	0	0	0	112.3	L487 K492 E493	L487-A489 VanDerWaalsContact C-N 3.27Å; L487-A489 PolarHBondContact O-N 2.94Å; A489-K492 PolarHBondContact O-N 3.34Å; A489-E493 WeakPolarHBondContact O-CB 3.46Å; A489-E493 PolarHBondContact O-N 3.23Å
490	V	93.1	Very high	91.3	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-40.1	179.2	175.1	0	0	0	0	111.1	L487 K492 E493 L494 L532 I648	L487-V490 HydrophobicContact CB-CB 4.29Å; L487-V490 WeakPolarHBondContact O-CA 3.44Å; L487-V490 WeakPolarHBondContact O-CB 3.22Å; L487-V490 PolarHBondContact O-N 3.18Å; V490-K492 VanDerWaalsContact C-N 3.32Å; V490-K492 PolarHBondContact O-N 2.96Å; V490-E493 PolarHBondContact O-N 2.83Å; V490-L494 HydrophobicContact CG1-CD1 4.16Å; V490-L494 WeakPolarHBondContact O-CG 3.32Å; V490-L494 PolarHBondContact O-N 3.36Å; V490-L532 HydrophobicContact CG1-CD1 3.94Å; V490-I648 HydrophobicContact CB-CG2 4.46Å; V490-I648 HydrophobicContact CG1-CG2 3.64Å; V490-I648 HydrophobicContact CG2-CG2 4.12Å
491	K	94.2	Very high	91	Very high	16 Å²	16	47.6 Å²	47.6	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-47.5	175.1	-65.3	-178.5	-179.2	165.4	0	110.9	W481 I484 G486 L487 E488 L494 Q495 L532	W481-K491 HydrophobicContact CD2-CD 4.33Å; W481-K491 HydrophobicContact CD2-CG 4.47Å; W481-K491 HydrophobicContact CE3-CB 4.09Å; W481-K491 HydrophobicContact CE3-CD 3.69Å; W481-K491 HydrophobicContact CE3-CG 3.58Å; W481-K491 HydrophobicContact CH2-CB 4.41Å; W481-K491 HydrophobicContact CZ3-CB 3.98Å; W481-K491 HydrophobicContact CZ3-CD 4.27Å; W481-K491 HydrophobicContact CZ3-CG 3.62Å; W481-K491 PolarHBondContact O-NZ 3.01Å; I484-K491 WeakPolarHBondContact O-CE 3.43Å; I484-K491 PolarHBondContact O-NZ 2.68Å; G486-K491 WeakPolarHBondContact O-CE 3.47Å; G486-K491 PolarHBondContact O-NZ 3.07Å; L487-K491 WeakPolarHBondContact O-CG 3.5Å; L487-K491 PolarHBondContact O-N 3.31Å; E488-K491 PolarHBondContact O-N 3.5Å; E488-K491 IonicContact OE1-NZ 3.07Å; E488-K491 PolarHBondContact OE1-NZ 2.94Å; E488-K491 IonicContact OE2-NZ 3.9Å; K491-L494 PolarHBondContact O-N 3Å; K491-Q495 WeakPolarHBondContact O-CG 3.43Å; K491-Q495 PolarHBondContact O-N 3.23Å; K491-Q495 VanDerWaalsContact O-N 3.07Å; K491-L532 HydrophobicContact CG-CD2 4.26Å
492	K	93.9	Very high	90.4	Very high	125 Å²	125	50 Å²	50	54%	0.543	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-46.8	178.1	-167.6	-172.1	180	-143.5	0	111.7	E488 A489 V490 L494 Q495 E496	E488-K492 PolarHBondContact O-N 2.97Å; E488-K492 VanDerWaalsContact O-N 3.1Å; A489-K492 PolarHBondContact O-N 3.34Å; V490-K492 VanDerWaalsContact C-N 3.32Å; V490-K492 PolarHBondContact O-N 2.96Å; K492-L494 VanDerWaalsContact C-N 3.27Å; K492-L494 PolarHBondContact O-N 3.4Å; K492-Q495 WeakPolarHBondContact O-CB 3.26Å; K492-Q495 PolarHBondContact O-N 3.11Å; K492-Q495 VanDerWaalsContact O-N 3.17Å; K492-E496 WeakPolarHBondContact CE-OE1 3.38Å; K492-E496 IonicContact NZ-OE1 2.98Å; K492-E496 PolarHBondContact NZ-OE1 3.05Å; K492-E496 WeakPolarHBondContact O-CG 3.02Å; K492-E496 PolarHBondContact O-N 3Å
493	E	93.2	Very high	89.9	Confident	74 Å²	74	49.6 Å²	49.6	35%	0.346	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-40.3	177.2	-173	175.4	-170.1	0	0	111.7	A489 V490 E496 L497 I648	A489-E493 WeakPolarHBondContact O-CB 3.46Å; A489-E493 PolarHBondContact O-N 3.23Å; V490-E493 PolarHBondContact O-N 2.83Å; E493-E496 PolarHBondContact O-N 3.13Å; E493-L497 HydrophobicContact CG-CD1 4.09Å; E493-L497 VanDerWaalsContact O-CG 3.25Å; E493-L497 WeakPolarHBondContact O-CG 3.4Å; E493-L497 PolarHBondContact O-N 2.81Å; E493-I648 HydrophobicContact CG-CD1 3.99Å
494	L	92.3	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-39.8	175.8	-76.2	169.9	0	0	0	113.6	W481 V490 K491 K492 E496 L497 V498 V519 F521 L532 I536 I648	W481-L494 HydrophobicContact CH2-CB 4.43Å; W481-L494 HydrophobicContact CH2-CD1 4.35Å; V490-L494 HydrophobicContact CG1-CD1 4.16Å; V490-L494 WeakPolarHBondContact O-CG 3.32Å; V490-L494 PolarHBondContact O-N 3.36Å; K491-L494 PolarHBondContact O-N 3Å; K492-L494 VanDerWaalsContact C-N 3.27Å; K492-L494 PolarHBondContact O-N 3.4Å; L494-E496 VanDerWaalsContact C-N 3.33Å; L494-L497 PolarHBondContact O-N 3.28Å; L494-V498 WeakPolarHBondContact O-CB 3.3Å; L494-V498 WeakPolarHBondContact O-CG2 3.31Å; L494-V498 PolarHBondContact O-N 2.84Å; L494-V519 HydrophobicContact CD2-CG1 4.49Å; L494-F521 HydrophobicContact CD1-CE1 3.98Å; L494-F521 HydrophobicContact CD1-CZ 3.58Å; L494-F521 HydrophobicContact CD2-CE1 3.74Å; L494-F521 HydrophobicContact CD2-CZ 3.6Å; L494-F521 HydrophobicContact CG-CE1 4.24Å; L494-F521 HydrophobicContact CG-CZ 4.14Å; L494-L532 HydrophobicContact CD1-CB 4.22Å; L494-L532 HydrophobicContact CD1-CD2 4.35Å; L494-I536 HydrophobicContact CB-CD1 4.18Å; L494-I536 HydrophobicContact CB-CG1 4.27Å; L494-I648 HydrophobicContact CD2-CD1 4.11Å; L494-I648 HydrophobicContact CG-CD1 4.37Å
495	Q	91.3	Very high	89.4	Confident	50 Å²	50	53.4 Å²	53.4	23%	0.234	28%	0.281	C	S	.	.	I	π-helix	trans	-60.6	-45.4	173	-70.9	172.4	-33.7	0	0	110.5	W481 K491 K492 L497 V498 Q499 F500 I536	W481-Q495 HydrophobicContact CZ2-CG 4.26Å; K491-Q495 WeakPolarHBondContact O-CG 3.43Å; K491-Q495 PolarHBondContact O-N 3.23Å; K491-Q495 VanDerWaalsContact O-N 3.07Å; K492-Q495 WeakPolarHBondContact O-CB 3.26Å; K492-Q495 PolarHBondContact O-N 3.11Å; K492-Q495 VanDerWaalsContact O-N 3.17Å; Q495-L497 VanDerWaalsContact C-N 3.3Å; Q495-L497 PolarHBondContact O-N 2.89Å; Q495-V498 PolarHBondContact O-N 3.11Å; Q495-Q499 WeakPolarHBondContact O-CA 3.49Å; Q495-Q499 WeakPolarHBondContact O-CB 3.44Å; Q495-Q499 PolarHBondContact O-N 3.16Å; Q495-F500 PolarHBondContact O-N 2.95Å; Q495-I536 HydrophobicContact CG-CD1 4.35Å
496	E	90.9	Very high	89.2	Confident	76 Å²	76	57.4 Å²	57.4	36%	0.355	30%	0.298	S	S	.	.	I	π-helix	trans	-62	-37.2	178.9	-64.5	-179.5	-172.5	0	0	112.4	K492 E493 L494 F500	K492-E496 WeakPolarHBondContact CE-OE1 3.38Å; K492-E496 IonicContact NZ-OE1 2.98Å; K492-E496 PolarHBondContact NZ-OE1 3.05Å; K492-E496 WeakPolarHBondContact O-CG 3.02Å; K492-E496 PolarHBondContact O-N 3Å; E493-E496 PolarHBondContact O-N 3.13Å; L494-E496 VanDerWaalsContact C-N 3.33Å; E496-F500 HydrophobicContact CB-CD2 4.06Å; E496-F500 HydrophobicContact CB-CE2 3.97Å; E496-F500 HydrophobicContact CG-CD2 4.19Å; E496-F500 HydrophobicContact CG-CE2 3.56Å; E496-F500 HydrophobicContact CG-CZ 3.95Å; E496-F500 WeakPolarHBondContact O-CB 3.34Å
497	L	89.2	Confident	89.2	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.141	32%	0.317	C	S	.	.	I	π-helix	trans	-81.1	-32.3	-178	-68.3	174.7	0	0	0	114.5	E493 L494 Q495 P501 V519 F623 Q646 I648	E493-L497 HydrophobicContact CG-CD1 4.09Å; E493-L497 VanDerWaalsContact O-CG 3.25Å; E493-L497 WeakPolarHBondContact O-CG 3.4Å; E493-L497 PolarHBondContact O-N 2.81Å; L494-L497 PolarHBondContact O-N 3.28Å; Q495-L497 VanDerWaalsContact C-N 3.3Å; Q495-L497 PolarHBondContact O-N 2.89Å; L497-P501 WeakPolarHBondContact O-CG 3.31Å; L497-V519 HydrophobicContact CD1-CG2 3.75Å; L497-F623 HydrophobicContact CB-CZ 4.47Å; L497-Q646 HydrophobicContact CD1-CB 4.03Å; L497-Q646 HydrophobicContact CD1-CG 3.97Å; L497-Q646 HydrophobicContact CD2-CG 3.98Å; L497-I648 HydrophobicContact CD1-CD1 4.06Å
498	V	86.6	Confident	88.9	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.055	32%	0.319	C	S	.	.	I	π-helix	trans	-106.9	-47.1	-173.6	-172	0	0	0	0	112.2	L494 Q495 V502 I536 F623	L494-V498 WeakPolarHBondContact O-CB 3.3Å; L494-V498 WeakPolarHBondContact O-CG2 3.31Å; L494-V498 PolarHBondContact O-N 2.84Å; Q495-V498 PolarHBondContact O-N 3.11Å; V498-V502 WeakPolarHBondContact O-CG2 3.06Å; V498-I536 HydrophobicContact CB-CD1 4.12Å; V498-I536 HydrophobicContact CB-CG1 3.83Å; V498-I536 HydrophobicContact CG1-CG1 4.14Å; V498-I536 HydrophobicContact CG2-CD1 4.46Å; V498-I536 HydrophobicContact CG2-CG1 3.82Å; V498-F623 HydrophobicContact CG1-CB 4.45Å; V498-F623 HydrophobicContact CG1-CD1 4.41Å; V498-F623 HydrophobicContact CG1-CD2 4.49Å; V498-F623 HydrophobicContact CG1-CG 4.2Å; V498-F623 HydrophobicContact CG2-CD1 3.64Å; V498-F623 HydrophobicContact CG2-CD2 4.14Å; V498-F623 HydrophobicContact CG2-CE1 3.37Å; V498-F623 HydrophobicContact CG2-CE2 3.89Å; V498-F623 HydrophobicContact CG2-CG 4.02Å; V498-F623 HydrophobicContact CG2-CZ 3.49Å; V498-F623 VanDerWaalsContact CG2-CZ 3.49Å
499	Q	86.3	Confident	88.6	Confident	33 Å²	33	64.6 Å²	64.6	15%	0.154	33%	0.329	C	S	.	.	I	π-helix	trans	-75.7	-46.1	-173.1	-171.4	177.1	8.1	0	0	111.3	Q495 V502 E503	Q495-Q499 WeakPolarHBondContact O-CA 3.49Å; Q495-Q499 WeakPolarHBondContact O-CB 3.44Å; Q495-Q499 PolarHBondContact O-N 3.16Å; Q499-V502 PolarHBondContact O-N 2.88Å; Q499-V502 VanDerWaalsContact O-N 3.08Å; Q499-E503 VanDerWaalsContact CG-CD 3.44Å; Q499-E503 HydrophobicContact CG-CG 4.09Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.3Å; Q499-E503 PolarHBondContact NE2-OE1 2.66Å; Q499-E503 PolarHBondContact O-N 3.01Å
500	F	88.4	Confident	88.5	Confident	84 Å²	84	68.2 Å²	68.2	37%	0.368	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-40.8	-175.5	-65.4	-5.2	0	0	0	114.5	Q495 E496 V502 H504 Y508	Q495-F500 PolarHBondContact O-N 2.95Å; E496-F500 HydrophobicContact CB-CD2 4.06Å; E496-F500 HydrophobicContact CB-CE2 3.97Å; E496-F500 HydrophobicContact CG-CD2 4.19Å; E496-F500 HydrophobicContact CG-CE2 3.56Å; E496-F500 HydrophobicContact CG-CZ 3.95Å; E496-F500 WeakPolarHBondContact O-CB 3.34Å; F500-V502 PolarHBondContact O-N 2.84Å; F500-H504 WeakPolarHBondContact O-CA 3.32Å; F500-H504 WeakPolarHBondContact O-CB 3.33Å; F500-H504 PolarHBondContact O-N 3.19Å; F500-Y508 HydrophobicContact CB-CE2 4.31Å
501	P	84.3	Confident	88.4	Confident	24 Å²	24	75 Å²	75	16%	0.156	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-29.5	174.4	-25.8	34.8	0	0	0	114.1	L497 Y508 P515	L497-P501 WeakPolarHBondContact O-CG 3.31Å; P501-Y508 HydrophobicContact CB-CE2 4.17Å; P501-Y508 HydrophobicContact CG-CE1 4.39Å; P501-Y508 HydrophobicContact CG-CE2 3.97Å; P501-P515 HydrophobicContact CB-CB 3.73Å; P501-P515 HydrophobicContact CB-CG 4.19Å; P501-P515 HydrophobicContact CG-CB 3.7Å
502	V	80.2	Confident	88.1	Confident	81 Å²	81	77.4 Å²	77.4	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-83.4	-45	-178.3	179	0	0	0	0	111	V498 Q499 F500	V498-V502 WeakPolarHBondContact O-CG2 3.06Å; Q499-V502 PolarHBondContact O-N 2.88Å; Q499-V502 VanDerWaalsContact O-N 3.08Å; F500-V502 PolarHBondContact O-N 2.84Å
503	E	82.8	Confident	87.6	Confident	105 Å²	105	77.4 Å²	77.4	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-80.8	-26.9	-177.8	-67.9	-177.2	175.2	0	0	113.6	Q499 P505	Q499-E503 VanDerWaalsContact CG-CD 3.44Å; Q499-E503 HydrophobicContact CG-CG 4.09Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.3Å; Q499-E503 PolarHBondContact NE2-OE1 2.66Å; Q499-E503 PolarHBondContact O-N 3.01Å; E503-P505 VanDerWaalsContact C-CD 3.43Å
504	H	85.5	Confident	87.1	Confident	79 Å²	79	80.8 Å²	80.8	37%	0.366	41%	0.407	S	S	.	.			trans	-131.4	49.6	-173.6	-58	-46.2	0	0	0	114	F500 E506 K507	F500-H504 WeakPolarHBondContact O-CA 3.32Å; F500-H504 WeakPolarHBondContact O-CB 3.33Å; F500-H504 PolarHBondContact O-N 3.19Å; H504-E506 WeakPolarHBondContact CA-OE2 3.49Å; H504-E506 IonicContact ND1-OE1 3.94Å; H504-E506 PolarHBondContact O-N 3.43Å; H504-K507 HydrophobicContact CB-CB 4.43Å; H504-K507 HydrophobicContact CB-CG 3.88Å; H504-K507 WeakPolarHBondContact O-CB 3.5Å; H504-K507 PolarHBondContact O-N 3.34Å; H504-K507 VanDerWaalsContact O-N 3.08Å
505	P	84	Confident	86.7	Confident	73 Å²	73	83 Å²	83	47%	0.474	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-28.9	-177.5	26.7	-35.7	0	0	0	113	E503 K507 Y508 L509	E503-P505 VanDerWaalsContact C-CD 3.43Å; P505-K507 VanDerWaalsContact C-N 3.26Å; P505-K507 PolarHBondContact O-N 3.45Å; P505-Y508 PolarHBondContact O-N 2.96Å; P505-L509 PolarHBondContact O-N 3.35Å
506	E	88.1	Confident	86.3	Confident	95 Å²	95	81.7 Å²	81.7	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-28.8	178.3	77.1	-67.7	164.5	0	0	112.8	H504 K510	H504-E506 WeakPolarHBondContact CA-OE2 3.49Å; H504-E506 IonicContact ND1-OE1 3.94Å; H504-E506 PolarHBondContact O-N 3.43Å; E506-K510 VanDerWaalsContact O-CB 3.3Å; E506-K510 WeakPolarHBondContact O-CB 3.48Å; E506-K510 PolarHBondContact O-N 3.24Å
507	K	91	Very high	85.9	Confident	113 Å²	113	81 Å²	81	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-71.2	-43.5	176.5	-56.4	-62.3	-179.8	-177.6	0	110.9	H504 P505 K510 F511	H504-K507 HydrophobicContact CB-CB 4.43Å; H504-K507 HydrophobicContact CB-CG 3.88Å; H504-K507 WeakPolarHBondContact O-CB 3.5Å; H504-K507 PolarHBondContact O-N 3.34Å; H504-K507 VanDerWaalsContact O-N 3.08Å; P505-K507 VanDerWaalsContact C-N 3.26Å; P505-K507 PolarHBondContact O-N 3.45Å; K507-K510 WeakPolarHBondContact O-CB 3.26Å; K507-K510 PolarHBondContact O-N 2.78Å; K507-F511 WeakPolarHBondContact O-CD2 3.48Å; K507-F511 PolarHBondContact O-N 3.09Å
508	Y	87.8	Confident	85.9	Confident	49 Å²	49	79.8 Å²	79.8	19%	0.192	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175.3	-76.7	-92.2	0	0	0	111.1	F500 P501 P505 K510 F511 G512 M513 P515	F500-Y508 HydrophobicContact CB-CE2 4.31Å; P501-Y508 HydrophobicContact CB-CE2 4.17Å; P501-Y508 HydrophobicContact CG-CE1 4.39Å; P501-Y508 HydrophobicContact CG-CE2 3.97Å; P505-Y508 PolarHBondContact O-N 2.96Å; Y508-K510 PolarHBondContact O-N 3.45Å; Y508-F511 PolarHBondContact O-N 3.49Å; Y508-G512 PolarHBondContact O-N 3.42Å; Y508-M513 HydrophobicContact CD1-CB 4.38Å; Y508-M513 HydrophobicContact CD1-CG 4.42Å; Y508-M513 PolarHBondContact O-N 3.32Å; Y508-P515 HydrophobicContact CD1-CB 4.12Å; Y508-P515 HydrophobicContact CE1-CB 3.96Å
509	L	85	Confident	86.3	Confident	148 Å²	148	79.3 Å²	79.3	78%	0.775	40%	0.402	S	S	*	.	H	α-helix	trans	-61.7	-42.4	176	-169.2	69.7	0	0	0	112.1	P505 F511 G512	P505-L509 PolarHBondContact O-N 3.35Å; L509-F511 VanDerWaalsContact C-N 3.29Å; L509-F511 PolarHBondContact O-N 2.66Å; L509-G512 PolarHBondContact O-N 3.44Å; L509-G512 VanDerWaalsContact O-N 3.11Å
510	K	90.5	Very high	86.6	Confident	158 Å²	158	77.9 Å²	77.9	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-57.5	-40.1	178.1	178.6	-176.3	176.1	-176.1	0	112.6	E506 K507 Y508	E506-K510 VanDerWaalsContact O-CB 3.3Å; E506-K510 WeakPolarHBondContact O-CB 3.48Å; E506-K510 PolarHBondContact O-N 3.24Å; K507-K510 WeakPolarHBondContact O-CB 3.26Å; K507-K510 PolarHBondContact O-N 2.78Å; Y508-K510 PolarHBondContact O-N 3.45Å
511	F	91.7	Very high	87	Confident	155 Å²	155	73.9 Å²	73.9	68%	0.68	38%	0.378	S	S	*	.	H	α-helix	trans	-92.6	1.6	179.7	-66	-69.6	0	0	0	113.4	K507 Y508 L509 M513	K507-F511 WeakPolarHBondContact O-CD2 3.48Å; K507-F511 PolarHBondContact O-N 3.09Å; Y508-F511 PolarHBondContact O-N 3.49Å; L509-F511 VanDerWaalsContact C-N 3.29Å; L509-F511 PolarHBondContact O-N 2.66Å; F511-M513 PolarHBondContact O-N 2.97Å; F511-M513 VanDerWaalsContact O-N 3.15Å
512	G	86.6	Confident	87.4	Confident	67 Å²	67	73.3 Å²	73.3	69%	0.691	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	17.2	-176.5	0	0	0	0	0	113.8	Y508 L509	Y508-G512 PolarHBondContact O-N 3.42Å; L509-G512 PolarHBondContact O-N 3.44Å; L509-G512 VanDerWaalsContact O-N 3.11Å
513	M	84.8	Confident	88	Confident	126 Å²	126	69.4 Å²	69.4	62%	0.621	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-87.3	128.7	-177	-173.2	176	-175.3	0	0	109.3	Y508 F511	Y508-M513 HydrophobicContact CD1-CB 4.38Å; Y508-M513 HydrophobicContact CD1-CG 4.42Å; Y508-M513 PolarHBondContact O-N 3.32Å; F511-M513 PolarHBondContact O-N 2.97Å; F511-M513 VanDerWaalsContact O-N 3.15Å
514	Q	81.6	Confident	88.5	Confident	145 Å²	145	64.5 Å²	64.5	68%	0.678	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-83.7	130.9	169.2	-65.3	-172.3	0.5	0	0	109
515	P	84.2	Confident	88.8	Confident	47 Å²	47	63.2 Å²	63.2	31%	0.305	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-64.2	150	175.1	27.6	-34.1	0	0	0	110.7	P501 Y508	P501-P515 HydrophobicContact CB-CB 3.73Å; P501-P515 HydrophobicContact CB-CG 4.19Å; P501-P515 HydrophobicContact CG-CB 3.7Å; Y508-P515 HydrophobicContact CD1-CB 4.12Å; Y508-P515 HydrophobicContact CE1-CB 3.96Å
516	S	83.5	Confident	89.1	Confident	21 Å²	21	61.3 Å²	61.3	15%	0.147	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-61.3	136.5	173.8	50.6	0	0	0	0	110.3	F623	S516-F623 WeakPolarHBondContact O-CE2 3.33Å
517	R	81.8	Confident	89.3	Confident	63 Å²	63	57.3 Å²	57.3	24%	0.238	30%	0.301	C	S	.	.			trans	-83.8	-22.5	-177.7	-65.4	-168.2	-177.7	175.2	-0.7	113.4	M613 D614 M616 I624 G642	R517-M613 PolarHBondContact NH1-O 3.22Å; R517-D614 PolarHBondContact NH1-O 2.83Å; R517-D614 VanDerWaalsContact NH1-O 3.12Å; R517-M616 PolarHBondContact NH1-O 3.27Å; R517-M616 PolarHBondContact NH2-O 3.16Å; R517-I624 PolarHBondContact O-N 2.98Å; R517-I624 VanDerWaalsContact O-N 3.13Å; R517-G642 WeakPolarHBondContact CD-O 3.48Å
518	G	90.3	Very high	89.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	166.4	179.4	0	0	0	0	0	115.7	I624 R643 Q646	G518-I624 CarbonylContact C-O 3.38Å; G518-I624 WeakPolarHBondContact CA-O 3.43Å; G518-R643 PolarHBondContact N-O 3.16Å; G518-Q646 PolarHBondContact O-N 3.06Å
519	V	93.5	Very high	89.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.3	-175.2	169.9	0	0	0	0	108.9	L494 L497 F521 F623 I624 I625 G626 Q646 I648	L494-V519 HydrophobicContact CD2-CG1 4.49Å; L497-V519 HydrophobicContact CD1-CG2 3.75Å; V519-F521 HydrophobicContact CG1-CD1 3.76Å; V519-F521 HydrophobicContact CG1-CE1 3.58Å; V519-F521 HydrophobicContact CG1-CZ 4.35Å; V519-F623 HydrophobicContact CB-CE1 4.3Å; V519-F623 HydrophobicContact CB-CZ 4.45Å; V519-F623 HydrophobicContact CG2-CE1 3.88Å; V519-F623 HydrophobicContact CG2-CZ 3.61Å; V519-I624 PolarHBondContact N-O 2.95Å; V519-I625 CarbonylContact O-C 3.57Å; V519-I625 WeakPolarHBondContact O-CA 3.38Å; V519-G626 PolarHBondContact O-N 2.94Å; V519-Q646 CarbonylContact C-O 3.6Å; V519-Q646 VanDerWaalsContact CA-O 3.26Å; V519-Q646 WeakPolarHBondContact CA-O 3.43Å; V519-Q646 HydrophobicContact CB-CB 4.4Å; V519-Q646 HydrophobicContact CG2-CB 3.74Å; V519-Q646 HydrophobicContact CG2-CG 4.46Å; V519-I648 HydrophobicContact CG1-CB 4.24Å; V519-I648 HydrophobicContact CG1-CD1 3.69Å; V519-I648 HydrophobicContact CG1-CG1 3.9Å; V519-I648 HydrophobicContact CG2-CD1 4.47Å
520	L	94.3	Very high	89.9	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.2	167.3	-175.8	68.6	0	0	0	110.1	G626 T628 L639 L644 Q646 I648	L520-G626 CarbonylContact C-O 3.48Å; L520-G626 WeakPolarHBondContact CA-O 3.47Å; L520-T628 HydrophobicContact CD1-CG2 4.07Å; L520-T628 HydrophobicContact CD2-CG2 4.26Å; L520-T628 HydrophobicContact CG-CG2 4.25Å; L520-L639 HydrophobicContact CD2-CD2 3.32Å; L520-L644 HydrophobicContact CB-CB 4.08Å; L520-L644 HydrophobicContact CB-CD1 4.21Å; L520-L644 HydrophobicContact CD1-CD1 3.96Å; L520-Q646 PolarHBondContact N-O 3.09Å; L520-I648 PolarHBondContact O-N 3.4Å
521	F	95.4	Very high	90	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126	167.2	-67.2	-28.4	0	0	0	111.2	L494 V519 K529 L532 A533 F580 I625 G626 A627 T628 I648 I650	L494-F521 HydrophobicContact CD1-CE1 3.98Å; L494-F521 HydrophobicContact CD1-CZ 3.58Å; L494-F521 HydrophobicContact CD2-CE1 3.74Å; L494-F521 HydrophobicContact CD2-CZ 3.6Å; L494-F521 HydrophobicContact CG-CE1 4.24Å; L494-F521 HydrophobicContact CG-CZ 4.14Å; V519-F521 HydrophobicContact CG1-CD1 3.76Å; V519-F521 HydrophobicContact CG1-CE1 3.58Å; V519-F521 HydrophobicContact CG1-CZ 4.35Å; F521-K529 HydrophobicContact CB-CB 4.11Å; F521-K529 HydrophobicContact CB-CD 4.22Å; F521-K529 HydrophobicContact CD2-CB 4.1Å; F521-K529 HydrophobicContact CG-CB 4.44Å; F521-L532 HydrophobicContact CE2-CB 4.14Å; F521-L532 HydrophobicContact CZ-CB 4.28Å; F521-A533 HydrophobicContact CE2-CB 4.1Å; F521-F580 HydrophobicContact CD2-CE2 4.43Å; F521-I625 HydrophobicContact CD2-CG2 3.52Å; F521-I625 HydrophobicContact CE2-CD1 4.43Å; F521-I625 HydrophobicContact CE2-CG2 3.37Å; F521-I625 HydrophobicContact CG-CG2 4.25Å; F521-I625 HydrophobicContact CZ-CD1 4.47Å; F521-I625 HydrophobicContact CZ-CG2 3.98Å; F521-G626 PolarHBondContact N-O 3.26Å; F521-A627 HydrophobicContact CB-CB 4.27Å; F521-A627 WeakPolarHBondContact O-CA 3.5Å; F521-T628 PolarHBondContact O-N 2.79Å; F521-I648 HydrophobicContact CD1-CB 3.97Å; F521-I648 HydrophobicContact CD1-CG2 4.15Å; F521-I648 HydrophobicContact CE1-CB 4.23Å; F521-I648 HydrophobicContact CE1-CD1 4.23Å; F521-I648 HydrophobicContact CE1-CG2 4.24Å; F521-I650 HydrophobicContact CB-CD1 3.73Å; F521-I650 HydrophobicContact CD1-CD1 3.89Å; F521-I650 HydrophobicContact CD2-CD1 4.22Å; F521-I650 HydrophobicContact CG-CD1 3.7Å
522	Y	93.9	Very high	90.2	Very high	12 Å²	12	35 Å²	35	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.1	173.3	73.5	-84.6	0	0	0	112.2	T628 P631 L647 I648 Y649 I650 F767 A768 L771	Y522-T628 WeakPolarHBondContact CA-O 3.47Å; Y522-P631 HydrophobicContact CD2-CB 4.35Å; Y522-P631 HydrophobicContact CD2-CG 4Å; Y522-P631 HydrophobicContact CG-CB 4.28Å; Y522-P631 HydrophobicContact CG-CG 4.39Å; Y522-L647 HydrophobicContact CD1-CB 4.4Å; Y522-L647 HydrophobicContact CE1-CB 3.99Å; Y522-I648 WeakPolarHBondContact CD1-O 3.44Å; Y522-I648 PolarHBondContact N-O 2.81Å; Y522-Y649 AromaticContact CD2-CD2 3.76Å; Y522-Y649 HydrophobicContact CD2-CD2 3.76Å; Y522-Y649 AromaticContact CE2-CD2 3.44Å; Y522-Y649 HydrophobicContact CE2-CD2 3.44Å; Y522-Y649 VanDerWaalsContact CE2-CD2 3.44Å; Y522-Y649 HydrophobicContact CE2-CE2 4.34Å; Y522-Y649 AromaticContact CE2-CG 3.93Å; Y522-Y649 HydrophobicContact CE2-CG 3.93Å; Y522-I650 PolarHBondContact O-N 2.73Å; Y522-F767 HydrophobicContact CD2-CD1 4.01Å; Y522-F767 HydrophobicContact CD2-CE1 4.26Å; Y522-F767 AromaticContact CE2-CD1 3.75Å; Y522-F767 HydrophobicContact CE2-CD1 3.75Å; Y522-F767 HydrophobicContact CE2-CE1 4.2Å; Y522-A768 HydrophobicContact CE2-CB 4.2Å; Y522-A768 WeakPolarHBondContact OH-CA 3.3Å; Y522-A768 WeakPolarHBondContact OH-CB 3.37Å; Y522-L771 HydrophobicContact CE1-CD1 4.25Å
523	G	92.7	Very high	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	152.7	-165.9	-179.7	0	0	0	0	0	113.4	K529 Y764	G523-K529 VanDerWaalsContact N-NZ 3.12Å; G523-K529 PolarHBondContact O-NZ 3.09Å; G523-Y764 VanDerWaalsContact C-CE1 3.47Å; G523-Y764 VanDerWaalsContact O-CE1 3.25Å; G523-Y764 WeakPolarHBondContact O-CE1 3.35Å; G523-Y764 PolarHBondContact O-OH 3.34Å
524	P	92.9	Very high	90.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.158	C	C	.	.	S	Bend	trans	-66.4	156.7	176.4	-2.1	16.1	0	0	0	112.2	K529 I650 L652 V756 Y764	P524-K529 WeakPolarHBondContact O-CE 3.37Å; P524-K529 PolarHBondContact O-NZ 3.27Å; P524-I650 WeakPolarHBondContact CD-O 3.15Å; P524-L652 HydrophobicContact CB-CD2 4.37Å; P524-L652 HydrophobicContact CG-CD2 4.21Å; P524-L652 HydrophobicContact CG-CG 3.9Å; P524-V756 HydrophobicContact CB-CG1 4.02Å; P524-V756 HydrophobicContact CB-CG2 3.71Å; P524-Y764 HydrophobicContact CB-CD2 4.45Å; P524-Y764 HydrophobicContact CB-CE2 4.01Å; P524-Y764 HydrophobicContact CG-CD2 4.2Å; P524-Y764 HydrophobicContact CG-CE2 4.26Å
525	P	91.5	Very high	91.3	Very high	52 Å²	52	21.1 Å²	21.1	34%	0.338	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	150.1	170	29.3	-34.9	0	0	0	110.9	C527 N629 V756	P525-C527 VanDerWaalsContact C-N 3.33Å; P525-C527 PolarHBondContact O-N 3.17Å; P525-N629 WeakPolarHBondContact CA-OD1 3.48Å; P525-V756 HydrophobicContact CG-CG2 4.3Å
526	G	90.3	Very high	91.7	Very high	33 Å²	33	18.9 Å²	18.9	34%	0.34	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	12.4	174	0	0	0	0	0	116	G689 A690	G526-G689 CarbonylContact O-C 3.58Å; G526-G689 WeakPolarHBondContact O-CA 3.48Å; G526-G689 PolarHBondContact O-N 3.08Å; G526-A690 PolarHBondContact O-N 3.14Å
527	C	92.6	Very high	92	Very high	11 Å²	11	17.9 Å²	17.9	7%	0.074	11%	0.105	C	C	.	.	S	Bend	trans	-93.8	11.1	178.4	-66.3	0	0	0	0	115	P525 I650	P525-C527 VanDerWaalsContact C-N 3.33Å; P525-C527 PolarHBondContact O-N 3.17Å; C527-I650 HydrophobicContact CB-CG2 3.68Å; C527-I650 WeakPolarHBondContact O-CG2 3.49Å
528	G	90.9	Very high	92.3	Very high	18 Å²	18	18.3 Å²	18.3	19%	0.186	11%	0.109	C	C	.	.	S	Bend	trans	91.1	19.2	171.6	0	0	0	0	0	116.8	T530 L531 L532	G528-T530 PolarHBondContact O-N 2.9Å; G528-L531 PolarHBondContact O-N 3.18Å; G528-L531 VanDerWaalsContact O-N 3.15Å; G528-L532 WeakPolarHBondContact O-CG 3.2Å; G528-L532 PolarHBondContact O-N 3.47Å
529	K	93.7	Very high	92.1	Very high	9 Å²	9	22 Å²	22	4%	0.039	13%	0.127	C	C	.	.	H	α-helix	trans	-58.4	-46.1	179.3	-30.5	-169.1	-149.1	-162.7	0	112.7	F521 G523 P524 L531 L532 A533 A627 T628 N629 I650	F521-K529 HydrophobicContact CB-CB 4.11Å; F521-K529 HydrophobicContact CB-CD 4.22Å; F521-K529 HydrophobicContact CD2-CB 4.1Å; F521-K529 HydrophobicContact CG-CB 4.44Å; G523-K529 VanDerWaalsContact N-NZ 3.12Å; G523-K529 PolarHBondContact O-NZ 3.09Å; P524-K529 WeakPolarHBondContact O-CE 3.37Å; P524-K529 PolarHBondContact O-NZ 3.27Å; K529-L531 VanDerWaalsContact C-N 3.35Å; K529-L532 PolarHBondContact O-N 3.4Å; K529-A533 PolarHBondContact O-N 3.26Å; K529-A533 VanDerWaalsContact O-N 3.07Å; K529-A627 HydrophobicContact CB-CB 4.24Å; K529-A627 HydrophobicContact CD-CB 4.42Å; K529-T628 PolarHBondContact NZ-O 3.33Å; K529-N629 WeakPolarHBondContact CE-OD1 3.41Å; K529-N629 PolarHBondContact NZ-OD1 3.28Å; K529-I650 HydrophobicContact CB-CD1 3.67Å; K529-I650 HydrophobicContact CD-CD1 4.08Å; K529-I650 HydrophobicContact CG-CD1 3.54Å
530	T	91.2	Very high	91.7	Very high	49 Å²	49	23.7 Å²	23.7	30%	0.301	14%	0.138	S	C	.	.	H	α-helix	trans	-65.1	-38.2	175.9	-43.6	0	0	0	0	111.5	G528 A533 K534 F580 D582	G528-T530 PolarHBondContact O-N 2.9Å; T530-A533 PolarHBondContact O-N 3.26Å; T530-K534 WeakPolarHBondContact O-CG 3.31Å; T530-K534 PolarHBondContact O-N 2.88Å; T530-K534 VanDerWaalsContact O-N 3.08Å; T530-F580 HydrophobicContact CG2-CE1 3.78Å; T530-F580 HydrophobicContact CG2-CZ 4.38Å; T530-D582 PolarHBondContact OG1-OD2 2.94Å; T530-D582 VanDerWaalsContact OG1-OD2 3.07Å
531	L	92.8	Very high	90.9	Very high	80 Å²	80	29.8 Å²	29.8	42%	0.419	17%	0.166	S	C	.	.	H	α-helix	trans	-66.9	-42.7	176.5	-68	174.2	0	0	0	111.6	T479 I484 G528 K529 A533 K534 A535	T479-L531 HydrophobicContact CG2-CD2 4.1Å; I484-L531 HydrophobicContact CD1-CB 4.03Å; I484-L531 WeakPolarHBondContact CD1-O 3.38Å; I484-L531 HydrophobicContact CG1-CB 4.12Å; G528-L531 PolarHBondContact O-N 3.18Å; G528-L531 VanDerWaalsContact O-N 3.15Å; K529-L531 VanDerWaalsContact C-N 3.35Å; L531-A533 VanDerWaalsContact C-N 3.34Å; L531-A533 PolarHBondContact O-N 2.89Å; L531-K534 PolarHBondContact O-N 3.07Å; L531-A535 WeakPolarHBondContact O-CB 3.47Å; L531-A535 PolarHBondContact O-N 3.43Å
532	L	94.9	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-44.5	175.3	-76.3	170.2	0	0	0	111.6	W481 I484 L487 V490 K491 L494 F521 G528 K529 K534 A535 I536 I650	W481-L532 HydrophobicContact CZ3-CD2 3.88Å; I484-L532 HydrophobicContact CD1-CD2 3.88Å; I484-L532 HydrophobicContact CD1-CG 4.21Å; I484-L532 HydrophobicContact CG2-CD2 4.15Å; L487-L532 HydrophobicContact CD1-CD1 3.95Å; V490-L532 HydrophobicContact CG1-CD1 3.94Å; K491-L532 HydrophobicContact CG-CD2 4.26Å; L494-L532 HydrophobicContact CD1-CB 4.22Å; L494-L532 HydrophobicContact CD1-CD2 4.35Å; F521-L532 HydrophobicContact CE2-CB 4.14Å; F521-L532 HydrophobicContact CZ-CB 4.28Å; G528-L532 WeakPolarHBondContact O-CG 3.2Å; G528-L532 PolarHBondContact O-N 3.47Å; K529-L532 PolarHBondContact O-N 3.4Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 PolarHBondContact O-N 3.46Å; L532-A535 PolarHBondContact O-N 2.94Å; L532-I536 WeakPolarHBondContact O-CG2 3.46Å; L532-I536 PolarHBondContact O-N 3.4Å; L532-I650 HydrophobicContact CD1-CD1 3.64Å; L532-I650 HydrophobicContact CD1-CG1 4.08Å
533	A	93.2	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-41.3	176.8	0	0	0	0	0	112	F521 K529 T530 L531 I536 A537 F544 F580 I625	F521-A533 HydrophobicContact CE2-CB 4.1Å; K529-A533 PolarHBondContact O-N 3.26Å; K529-A533 VanDerWaalsContact O-N 3.07Å; T530-A533 PolarHBondContact O-N 3.26Å; L531-A533 VanDerWaalsContact C-N 3.34Å; L531-A533 PolarHBondContact O-N 2.89Å; A533-I536 VanDerWaalsContact O-CG2 3.3Å; A533-I536 WeakPolarHBondContact O-CG2 3.37Å; A533-A537 WeakPolarHBondContact O-CB 3.34Å; A533-A537 PolarHBondContact O-N 2.77Å; A533-F544 HydrophobicContact CB-CE2 3.8Å; A533-F544 HydrophobicContact CB-CZ 4.05Å; A533-F580 HydrophobicContact CB-CD2 3.51Å; A533-F580 HydrophobicContact CB-CE2 3.68Å; A533-F580 HydrophobicContact CB-CG 3.98Å; A533-F580 HydrophobicContact CB-CZ 4.29Å; A533-I625 HydrophobicContact CB-CD1 4.21Å; A533-I625 HydrophobicContact CB-CG2 4.31Å
534	K	91	Very high	89.4	Confident	46 Å²	46	30 Å²	30	20%	0.2	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-40.8	175.1	-71.8	-167.9	-178.7	-150.1	0	112.3	E475 P477 T530 L531 L532 A537 H538 F544	E475-K534 IonicContact OE2-NZ 3.35Å; E475-K534 PolarHBondContact OE2-NZ 3.44Å; P477-K534 HydrophobicContact CB-CB 3.91Å; P477-K534 HydrophobicContact CB-CG 4.33Å; P477-K534 VanDerWaalsContact CB-O 3.28Å; P477-K534 WeakPolarHBondContact CB-O 3.36Å; P477-K534 WeakPolarHBondContact CG-O 3.46Å; T530-K534 WeakPolarHBondContact O-CG 3.31Å; T530-K534 PolarHBondContact O-N 2.88Å; T530-K534 VanDerWaalsContact O-N 3.08Å; L531-K534 PolarHBondContact O-N 3.07Å; L532-K534 VanDerWaalsContact C-N 3.34Å; L532-K534 PolarHBondContact O-N 3.46Å; K534-A537 PolarHBondContact O-N 3.29Å; K534-H538 PolarHBondContact O-N 3.47Å; K534-F544 HydrophobicContact CD-CE1 4.25Å; K534-F544 HydrophobicContact CG-CD1 4.03Å; K534-F544 HydrophobicContact CG-CE1 3.6Å; K534-F544 HydrophobicContact CG-CE2 4.16Å; K534-F544 HydrophobicContact CG-CG 4.45Å; K534-F544 HydrophobicContact CG-CZ 3.68Å
535	A	93.1	Very high	89.2	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-41.6	-178.8	0	0	0	0	0	113.3	T479 W481 I484 L531 L532 A537 H538 E539	T479-A535 HydrophobicContact CG2-CB 4.43Å; T479-A535 WeakPolarHBondContact O-CA 3.45Å; W481-A535 HydrophobicContact CD2-CB 4.12Å; W481-A535 HydrophobicContact CE3-CB 3.75Å; W481-A535 HydrophobicContact CH2-CB 4.29Å; W481-A535 HydrophobicContact CZ3-CB 3.84Å; I484-A535 HydrophobicContact CD1-CB 3.54Å; L531-A535 WeakPolarHBondContact O-CB 3.47Å; L531-A535 PolarHBondContact O-N 3.43Å; L532-A535 PolarHBondContact O-N 2.94Å; A535-A537 VanDerWaalsContact C-N 3.32Å; A535-A537 PolarHBondContact O-N 2.97Å; A535-H538 PolarHBondContact O-N 3.06Å; A535-E539 WeakPolarHBondContact O-CB 3.33Å; A535-E539 PolarHBondContact O-N 2.86Å
536	I	92.3	Very high	89	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-36.5	176	-171.1	61.1	0	0	0	111.8	W481 L494 Q495 V498 L532 A533 E539 C540 I625	W481-I536 HydrophobicContact CH2-CB 3.93Å; W481-I536 HydrophobicContact CH2-CD1 4.24Å; W481-I536 HydrophobicContact CZ2-CB 4.05Å; W481-I536 HydrophobicContact CZ2-CD1 3.77Å; L494-I536 HydrophobicContact CB-CD1 4.18Å; L494-I536 HydrophobicContact CB-CG1 4.27Å; Q495-I536 HydrophobicContact CG-CD1 4.35Å; V498-I536 HydrophobicContact CB-CD1 4.12Å; V498-I536 HydrophobicContact CB-CG1 3.83Å; V498-I536 HydrophobicContact CG1-CG1 4.14Å; V498-I536 HydrophobicContact CG2-CD1 4.46Å; V498-I536 HydrophobicContact CG2-CG1 3.82Å; L532-I536 WeakPolarHBondContact O-CG2 3.46Å; L532-I536 PolarHBondContact O-N 3.4Å; A533-I536 VanDerWaalsContact O-CG2 3.3Å; A533-I536 WeakPolarHBondContact O-CG2 3.37Å; I536-E539 PolarHBondContact O-N 2.76Å; I536-C540 WeakPolarHBondContact O-CB 3.41Å; I536-C540 PolarHBondContact O-N 2.81Å; I536-C540 PolarHBondContact O-SG 3.05Å; I536-I625 HydrophobicContact CG2-CD1 3.88Å
537	A	89.7	Confident	88.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-39.1	174.9	0	0	0	0	0	111.7	P477 A533 K534 A535 C540 Q541 A542 F544 V578	P477-A537 HydrophobicContact CG-CB 3.69Å; A533-A537 WeakPolarHBondContact O-CB 3.34Å; A533-A537 PolarHBondContact O-N 2.77Å; K534-A537 PolarHBondContact O-N 3.29Å; A535-A537 VanDerWaalsContact C-N 3.32Å; A535-A537 PolarHBondContact O-N 2.97Å; A537-C540 PolarHBondContact O-N 2.8Å; A537-Q541 PolarHBondContact O-N 2.95Å; A537-A542 PolarHBondContact O-N 2.85Å; A537-F544 HydrophobicContact CB-CB 4.27Å; A537-F544 HydrophobicContact CB-CD2 3.76Å; A537-F544 HydrophobicContact CB-CG 4.45Å; A537-V578 HydrophobicContact CB-CB 3.88Å; A537-V578 HydrophobicContact CB-CG1 4.49Å; A537-V578 HydrophobicContact CB-CG2 3.68Å
538	H	87.5	Confident	88.5	Confident	71 Å²	71	31.9 Å²	31.9	33%	0.329	17%	0.165	S	C	.	.	H	α-helix	trans	-65.2	-45.8	174.7	-176.7	56.4	0	0	0	112.1	P477 T479 K534 A535 C540 Q541	P477-H538 HydrophobicContact CB-CB 4.28Å; P477-H538 HydrophobicContact CG-CB 3.95Å; P477-H538 PolarHBondContact O-ND1 3.45Å; T479-H538 WeakPolarHBondContact O-CB 3.45Å; T479-H538 PolarHBondContact O-CD2 3.17Å; K534-H538 PolarHBondContact O-N 3.47Å; A535-H538 PolarHBondContact O-N 3.06Å; H538-C540 VanDerWaalsContact C-N 3.28Å; H538-C540 PolarHBondContact O-N 2.87Å; H538-Q541 PolarHBondContact O-N 2.76Å
539	E	87.9	Confident	87.7	Confident	79 Å²	79	31 Å²	31	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-58.8	-39.7	177.9	-168.2	73.3	179.8	0	0	111.9	W481 A535 I536 Q541	W481-E539 HydrophobicContact CZ2-CB 4.48Å; W481-E539 VanDerWaalsContact NE1-CD 3.33Å; W481-E539 PolarHBondContact NE1-OE2 2.77Å; W481-E539 VanDerWaalsContact NE1-OE2 3.13Å; A535-E539 WeakPolarHBondContact O-CB 3.33Å; A535-E539 PolarHBondContact O-N 2.86Å; I536-E539 PolarHBondContact O-N 2.76Å; E539-Q541 PolarHBondContact O-N 2.94Å
540	C	83.5	Confident	86.7	Confident	34 Å²	34	33.3 Å²	33.3	23%	0.23	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.1	178.2	-59.8	0	0	0	0	113.7	I536 A537 H538 A542	I536-C540 WeakPolarHBondContact O-CB 3.41Å; I536-C540 PolarHBondContact O-N 2.81Å; I536-C540 PolarHBondContact O-SG 3.05Å; A537-C540 PolarHBondContact O-N 2.8Å; H538-C540 VanDerWaalsContact C-N 3.28Å; H538-C540 PolarHBondContact O-N 2.87Å; C540-A542 HydrophobicContact CB-CB 4.18Å; C540-A542 PolarHBondContact O-N 3.1Å; C540-A542 VanDerWaalsContact O-N 3.13Å
541	Q	79	Confident	85.8	Confident	131 Å²	131	34.4 Å²	34.4	61%	0.612	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	38.3	-171.6	-60.4	-175.5	-28.3	0	0	112.8	A537 H538 E539	A537-Q541 PolarHBondContact O-N 2.95Å; H538-Q541 PolarHBondContact O-N 2.76Å; E539-Q541 PolarHBondContact O-N 2.94Å
542	A	82.2	Confident	84.7	Confident	7 Å²	7	30.7 Å²	30.7	6%	0.058	15%	0.154	C	C	.	.			trans	-99.9	146.8	-176.5	0	0	0	0	0	111.1	A537 C540 P576 V578	A537-A542 PolarHBondContact O-N 2.85Å; C540-A542 HydrophobicContact CB-CB 4.18Å; C540-A542 PolarHBondContact O-N 3.1Å; C540-A542 VanDerWaalsContact O-N 3.13Å; A542-P576 CarbonylContact C-O 3.5Å; A542-P576 WeakPolarHBondContact CA-O 3.12Å; A542-P576 HydrophobicContact CB-CB 4.25Å; A542-V578 HydrophobicContact CB-CG2 4.32Å
543	N	81.7	Confident	83.3	Confident	8 Å²	8	34 Å²	34	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.8	171	-71.2	-44.7	0	0	0	110.4	H409 V474 A574 P576 C577 V578	H409-N543 WeakPolarHBondContact CB-OD1 3.24Å; V474-N543 HydrophobicContact CG1-CB 3.67Å; N543-A574 HydrophobicContact CB-CB 4.32Å; N543-A574 PolarHBondContact ND2-O 3.35Å; N543-P576 PolarHBondContact N-O 3.38Å; N543-C577 HydrophobicContact CB-CB 4.25Å; N543-C577 CarbonylContact O-C 3.48Å; N543-C577 WeakPolarHBondContact O-CA 3.48Å; N543-C577 PolarHBondContact O-SG 3.49Å; N543-C577 VanDerWaalsContact O-SG 3.37Å; N543-V578 PolarHBondContact O-N 2.87Å
544	F	86.4	Confident	81.7	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121	-179.1	-173.5	-102.2	0	0	0	110.6	V474 E475 P477 A533 K534 A537 V578 F580	V474-F544 WeakPolarHBondContact CA-O 3.45Å; E475-F544 PolarHBondContact N-O 3.49Å; E475-F544 WeakPolarHBondContact O-CA 3.31Å; E475-F544 WeakPolarHBondContact O-CB 3.38Å; E475-F544 PolarHBondContact O-N 3.29Å; P477-F544 HydrophobicContact CB-CB 4.47Å; P477-F544 HydrophobicContact CG-CB 4.05Å; A533-F544 HydrophobicContact CB-CE2 3.8Å; A533-F544 HydrophobicContact CB-CZ 4.05Å; K534-F544 HydrophobicContact CD-CE1 4.25Å; K534-F544 HydrophobicContact CG-CD1 4.03Å; K534-F544 HydrophobicContact CG-CE1 3.6Å; K534-F544 HydrophobicContact CG-CE2 4.16Å; K534-F544 HydrophobicContact CG-CG 4.45Å; K534-F544 HydrophobicContact CG-CZ 3.68Å; A537-F544 HydrophobicContact CB-CB 4.27Å; A537-F544 HydrophobicContact CB-CD2 3.76Å; A537-F544 HydrophobicContact CB-CG 4.45Å; F544-V578 HydrophobicContact CD2-CB 4.12Å; F544-V578 HydrophobicContact CD2-CG1 4.08Å; F544-V578 HydrophobicContact CE2-CG1 4.14Å; F544-F580 HydrophobicContact CE1-CB 4.3Å; F544-F580 HydrophobicContact CE1-CD1 4.38Å; F544-F580 HydrophobicContact CE2-CB 3.57Å; F544-F580 HydrophobicContact CE2-CG 4.11Å; F544-F580 HydrophobicContact CZ-CB 3.42Å; F544-F580 VanDerWaalsContact CZ-CB 3.42Å; F544-F580 AromaticContact CZ-CD1 3.68Å; F544-F580 HydrophobicContact CZ-CD1 3.68Å; F544-F580 AromaticContact CZ-CG 3.66Å; F544-F580 HydrophobicContact CZ-CG 3.66Å
545	I	87.5	Confident	79.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.8	174.3	-58.9	-176.7	0	0	0	107.6	V474 I547 A571 V578 L579 F580	V474-I545 HydrophobicContact CB-CG1 4.09Å; V474-I545 HydrophobicContact CG1-CD1 4.4Å; V474-I545 HydrophobicContact CG1-CG1 3.8Å; V474-I545 HydrophobicContact CG2-CD1 3.72Å; V474-I545 HydrophobicContact CG2-CG1 3.62Å; I545-I547 HydrophobicContact CG2-CD1 4.08Å; I545-I547 HydrophobicContact CG2-CG1 4.17Å; I545-A571 HydrophobicContact CD1-CB 3.92Å; I545-V578 PolarHBondContact N-O 2.82Å; I545-L579 HydrophobicContact CB-CD1 3.84Å; I545-L579 HydrophobicContact CG2-CD1 3.68Å; I545-F580 PolarHBondContact O-N 3.21Å
546	S	88.4	Confident	77.5	Confident	30 Å²	30	49.5 Å²	49.5	21%	0.21	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.5	174.9	-170.6	0	0	0	0	109.8	F580	S546-F580 WeakPolarHBondContact CA-O 3.5Å
547	I	87.5	Confident	75.5	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.4	172.3	-57.5	-62.8	0	0	0	107.8	I545 L552 V567 L579 F580 F581 D582	I545-I547 HydrophobicContact CG2-CD1 4.08Å; I545-I547 HydrophobicContact CG2-CG1 4.17Å; I547-L552 HydrophobicContact CG2-CD1 3.7Å; I547-L552 HydrophobicContact CG2-CD2 3.83Å; I547-L552 HydrophobicContact CG2-CG 3.48Å; I547-L552 VanDerWaalsContact CG2-CG 3.48Å; I547-V567 HydrophobicContact CD1-CG1 4.06Å; I547-V567 HydrophobicContact CD1-CG2 3.97Å; I547-V567 HydrophobicContact CG1-CG1 3.87Å; I547-L579 HydrophobicContact CG1-CD1 4.27Å; I547-F580 PolarHBondContact N-O 3.46Å; I547-F581 HydrophobicContact CB-CD1 4.1Å; I547-F581 HydrophobicContact CB-CE1 4.29Å; I547-F581 HydrophobicContact CG2-CD1 4.27Å; I547-F581 HydrophobicContact CG2-CE1 4.36Å; I547-F581 WeakPolarHBondContact O-CA 3.48Å; I547-D582 PolarHBondContact O-N 3.27Å
548	K	83.6	Confident	74	Confident	103 Å²	103	63.4 Å²	63.4	45%	0.448	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.5	172.6	-62.2	179.3	-179.9	174	0	108.8	P550 E551 D582	K548-P550 VanDerWaalsContact C-CD 3.45Å; K548-P550 VanDerWaalsContact C-N 3.3Å; K548-P550 VanDerWaalsContact O-N 3.12Å; K548-E551 HydrophobicContact CB-CG 4.15Å; K548-E551 PolarHBondContact N-OE2 3.41Å; K548-E551 VanDerWaalsContact O-CB 3.29Å; K548-E551 WeakPolarHBondContact O-CB 3.47Å; K548-E551 PolarHBondContact O-N 2.8Å; K548-D582 HydrophobicContact CG-CB 4.39Å
549	G	74.5	Confident	72.9	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-51.9	-37.4	-176.8	0	0	0	0	0	115.7	E551 L552 D582 S586 I587	G549-E551 VanDerWaalsContact C-N 3.3Å; G549-E551 PolarHBondContact O-N 3.06Å; G549-L552 PolarHBondContact O-N 3.32Å; G549-D582 PolarHBondContact N-O 2.56Å; G549-S586 VanDerWaalsContact CA-OG 3.23Å; G549-S586 WeakPolarHBondContact CA-OG 3.44Å; G549-I587 VanDerWaalsContact O-CG2 3.24Å; G549-I587 WeakPolarHBondContact O-CG2 3.46Å
550	P	72.6	Confident	72	Confident	57 Å²	57	61.6 Å²	61.6	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-60.7	-30.8	172.1	-26.5	36	0	0	0	115	K548 L552 L553 T554	K548-P550 VanDerWaalsContact C-CD 3.45Å; K548-P550 VanDerWaalsContact C-N 3.3Å; K548-P550 VanDerWaalsContact O-N 3.12Å; P550-L552 VanDerWaalsContact C-N 3.28Å; P550-L552 PolarHBondContact O-N 3.46Å; P550-L553 PolarHBondContact O-N 3.07Å; P550-L553 VanDerWaalsContact O-N 3.09Å; P550-T554 WeakPolarHBondContact O-CG2 3.11Å; P550-T554 PolarHBondContact O-N 3.47Å; P550-T554 PolarHBondContact O-OG1 3.31Å
551	E	72.8	Confident	71.6	Confident	71 Å²	71	63 Å²	63	33%	0.332	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-34	179.1	-64.8	167.3	177.5	0	0	111.2	K548 G549 L553 T554 M555	K548-E551 HydrophobicContact CB-CG 4.15Å; K548-E551 PolarHBondContact N-OE2 3.41Å; K548-E551 VanDerWaalsContact O-CB 3.29Å; K548-E551 WeakPolarHBondContact O-CB 3.47Å; K548-E551 PolarHBondContact O-N 2.8Å; G549-E551 VanDerWaalsContact C-N 3.3Å; G549-E551 PolarHBondContact O-N 3.06Å; E551-L553 PolarHBondContact O-N 3.46Å; E551-T554 WeakPolarHBondContact CA-OG1 3.35Å; E551-T554 PolarHBondContact O-N 3.02Å; E551-M555 HydrophobicContact CB-CE 4.23Å; E551-M555 WeakPolarHBondContact O-CB 3.47Å; E551-M555 VanDerWaalsContact O-CE 3.28Å; E551-M555 WeakPolarHBondContact O-CE 3.44Å; E551-M555 VanDerWaalsContact O-CG 3.25Å; E551-M555 WeakPolarHBondContact O-CG 3.3Å; E551-M555 PolarHBondContact O-N 3.4Å; E551-M555 VanDerWaalsContact O-N 3.14Å
552	L	69	Low	71.4	Confident	2 Å²	2	58 Å²	58	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-24	174.7	-69.6	167.3	0	0	0	112.9	I547 G549 P550 V564 F581 I587 V605 I609	I547-L552 HydrophobicContact CG2-CD1 3.7Å; I547-L552 HydrophobicContact CG2-CD2 3.83Å; I547-L552 HydrophobicContact CG2-CG 3.48Å; I547-L552 VanDerWaalsContact CG2-CG 3.48Å; G549-L552 PolarHBondContact O-N 3.32Å; P550-L552 VanDerWaalsContact C-N 3.28Å; P550-L552 PolarHBondContact O-N 3.46Å; L552-V564 HydrophobicContact CD2-CG2 4.03Å; L552-F581 HydrophobicContact CD1-CD1 4.14Å; L552-F581 HydrophobicContact CD1-CE1 4.1Å; L552-I587 HydrophobicContact CD1-CD1 3.5Å; L552-I587 VanDerWaalsContact CD1-CD1 3.5Å; L552-V605 HydrophobicContact CB-CG1 4.27Å; L552-V605 HydrophobicContact CD1-CG1 4.44Å; L552-I609 HydrophobicContact CD1-CD1 4.21Å
553	L	65.4	Low	71	Confident	70 Å²	70	58.9 Å²	58.9	37%	0.366	31%	0.307	S	S	.	.	H	α-helix	trans	-89.8	-34.3	176.8	-62.6	174.7	0	0	0	112.4	P550 E551 I587	P550-L553 PolarHBondContact O-N 3.07Å; P550-L553 VanDerWaalsContact O-N 3.09Å; E551-L553 PolarHBondContact O-N 3.46Å; L553-I587 HydrophobicContact CD1-CG2 4.17Å; L553-I587 HydrophobicContact CD2-CG2 4.23Å; L553-I587 HydrophobicContact CG-CG2 3.95Å
554	T	60.5	Low	71.1	Confident	104 Å²	104	58.6 Å²	58.6	64%	0.638	31%	0.306	S	S	*	.	H	α-helix	trans	-91.5	-19.6	-170.6	55.1	0	0	0	0	114.6	P550 E551 W556	P550-T554 WeakPolarHBondContact O-CG2 3.11Å; P550-T554 PolarHBondContact O-N 3.47Å; P550-T554 PolarHBondContact O-OG1 3.31Å; E551-T554 WeakPolarHBondContact CA-OG1 3.35Å; E551-T554 PolarHBondContact O-N 3.02Å; T554-W556 PolarHBondContact O-N 3.3Å
555	M	53.3	Low	70.9	Confident	57 Å²	57	62.9 Å²	62.9	28%	0.281	32%	0.322	S	S	.	.	S	Bend	trans	-70	59.3	176.7	-73.6	-171.7	-76.5	0	0	111.7	E551 N563	E551-M555 HydrophobicContact CB-CE 4.23Å; E551-M555 WeakPolarHBondContact O-CB 3.47Å; E551-M555 VanDerWaalsContact O-CE 3.28Å; E551-M555 WeakPolarHBondContact O-CE 3.44Å; E551-M555 VanDerWaalsContact O-CG 3.25Å; E551-M555 WeakPolarHBondContact O-CG 3.3Å; E551-M555 PolarHBondContact O-N 3.4Å; E551-M555 VanDerWaalsContact O-N 3.14Å; M555-N563 WeakPolarHBondContact CB-ND2 3.37Å; M555-N563 PolarHBondContact O-ND2 3.49Å
556	W	42.7	Very low	70.4	Confident	210 Å²	210	66 Å²	66	80%	0.795	34%	0.339	S	S	*	.			trans	88.3	107.1	174.7	-51.2	69.2	0	0	0	114.5	T554 G558 E559	T554-W556 PolarHBondContact O-N 3.3Å; W556-G558 PolarHBondContact O-N 3.48Å; W556-E559 PolarHBondContact O-N 2.8Å
557	F	49.2	Very low	70.1	Confident	219 Å²	219	64.9 Å²	64.9	96%	0.961	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	107.8	168.2	-110.7	-96.4	0	0	0	109.4
558	G	59.3	Low	70	Confident	73 Å²	73	64.7 Å²	64.7	75%	0.753	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.5	-17.9	171.7	0	0	0	0	0	116.7	W556	W556-G558 PolarHBondContact O-N 3.48Å
559	E	65.1	Low	69.8	Low	95 Å²	95	62.1 Å²	62.1	44%	0.444	32%	0.321	S	S	.	.			trans	-124.2	23.4	-178	-66.1	-159.2	143.2	0	0	114	K320 W556 E561 A562 N563	K320-E559 IonicContact NZ-OE1 3.17Å; K320-E559 PolarHBondContact NZ-OE1 3.11Å; K320-E559 IonicContact NZ-OE2 2.83Å; W556-E559 PolarHBondContact O-N 2.8Å; E559-E561 PolarHBondContact O-N 3.31Å; E559-E561 VanDerWaalsContact O-N 3.09Å; E559-A562 HydrophobicContact CB-CB 4.44Å; E559-A562 WeakPolarHBondContact O-CB 3.37Å; E559-A562 PolarHBondContact O-N 2.95Å; E559-N563 PolarHBondContact O-N 2.8Å
560	S	68	Low	69.8	Low	17 Å²	17	64.3 Å²	64.3	12%	0.119	33%	0.33	C	S	.	.	H	α-helix	trans	-56.9	-31.7	-173.5	59.4	0	0	0	0	114.5	V564 V605	S560-V564 WeakPolarHBondContact O-CG2 3.34Å; S560-V564 PolarHBondContact O-N 2.94Å; S560-V605 VanDerWaalsContact CB-CG2 3.43Å; S560-V605 VanDerWaalsContact OG-CG2 3.29Å; S560-V605 WeakPolarHBondContact OG-CG2 3.43Å
561	E	75.4	Confident	70.3	Confident	64 Å²	64	61.6 Å²	61.6	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-40	173.8	-65.2	178	-169	0	0	113	E559 N563 V564 R565 R604 Q608	E559-E561 PolarHBondContact O-N 3.31Å; E559-E561 VanDerWaalsContact O-N 3.09Å; E561-N563 VanDerWaalsContact C-N 3.29Å; E561-N563 PolarHBondContact O-N 3.47Å; E561-V564 PolarHBondContact O-N 2.94Å; E561-R565 WeakPolarHBondContact O-CG 3.47Å; E561-R565 PolarHBondContact O-N 3.29Å; E561-R565 IonicContact OE2-NH2 2.81Å; E561-R604 HydrophobicContact CG-CB 4.13Å; E561-R604 VanDerWaalsContact OE1-CB 3.31Å; E561-R604 WeakPolarHBondContact OE1-CB 3.35Å; E561-R604 VanDerWaalsContact OE1-CD 3.3Å; E561-R604 WeakPolarHBondContact OE1-CD 3.29Å; E561-R604 WeakPolarHBondContact OE1-CG 3.48Å; E561-Q608 HydrophobicContact CB-CB 4.3Å; E561-Q608 HydrophobicContact CB-CG 4.2Å; E561-Q608 HydrophobicContact CG-CB 4.24Å
562	A	74.1	Confident	70.6	Confident	26 Å²	26	60.7 Å²	60.7	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-40.5	179.5	0	0	0	0	0	110.4	E559 V564 R565 D566	E559-A562 HydrophobicContact CB-CB 4.44Å; E559-A562 WeakPolarHBondContact O-CB 3.37Å; E559-A562 PolarHBondContact O-N 2.95Å; A562-V564 VanDerWaalsContact C-N 3.32Å; A562-V564 PolarHBondContact O-N 3.17Å; A562-R565 WeakPolarHBondContact O-CB 3.41Å; A562-R565 PolarHBondContact O-N 2.85Å; A562-R565 VanDerWaalsContact O-N 3.09Å; A562-D566 PolarHBondContact O-N 2.85Å
563	N	74.4	Confident	70.8	Confident	26 Å²	26	62.5 Å²	62.5	14%	0.139	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-40.6	176.1	-61.1	-20.9	0	0	0	112.4	M555 E559 E561 R565 D566 V567	M555-N563 WeakPolarHBondContact CB-ND2 3.37Å; M555-N563 PolarHBondContact O-ND2 3.49Å; E559-N563 PolarHBondContact O-N 2.8Å; E561-N563 VanDerWaalsContact C-N 3.29Å; E561-N563 PolarHBondContact O-N 3.47Å; N563-R565 VanDerWaalsContact C-N 3.31Å; N563-R565 PolarHBondContact O-N 2.95Å; N563-D566 PolarHBondContact O-N 2.9Å; N563-V567 VanDerWaalsContact O-CG2 3.31Å; N563-V567 WeakPolarHBondContact O-CG2 3.49Å; N563-V567 PolarHBondContact O-N 2.96Å
564	V	82.9	Confident	71.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-46.1	174.4	174.9	0	0	0	0	109.9	L552 S560 E561 A562 D566 V567 F568 V605 Q608 I609 E612	L552-V564 HydrophobicContact CD2-CG2 4.03Å; S560-V564 WeakPolarHBondContact O-CG2 3.34Å; S560-V564 PolarHBondContact O-N 2.94Å; E561-V564 PolarHBondContact O-N 2.94Å; A562-V564 VanDerWaalsContact C-N 3.32Å; A562-V564 PolarHBondContact O-N 3.17Å; V564-D566 VanDerWaalsContact C-N 3.32Å; V564-D566 PolarHBondContact O-N 3.38Å; V564-V567 PolarHBondContact O-N 3.43Å; V564-F568 HydrophobicContact CG1-CD2 3.87Å; V564-F568 HydrophobicContact CG1-CE2 3.89Å; V564-F568 WeakPolarHBondContact O-CD2 3.21Å; V564-F568 PolarHBondContact O-N 2.77Å; V564-F568 VanDerWaalsContact O-N 3.07Å; V564-V605 HydrophobicContact CG2-CG1 3.88Å; V564-Q608 HydrophobicContact CB-CB 4.27Å; V564-Q608 HydrophobicContact CB-CG 3.82Å; V564-Q608 HydrophobicContact CG1-CB 4.18Å; V564-Q608 HydrophobicContact CG1-CG 3.79Å; V564-I609 HydrophobicContact CG1-CB 4.41Å; V564-I609 HydrophobicContact CG1-CG1 3.63Å; V564-I609 HydrophobicContact CG2-CG1 4.11Å; V564-E612 HydrophobicContact CG1-CG 4.18Å
565	R	82	Confident	72	Confident	90 Å²	90	56.2 Å²	56.2	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-45.4	176.5	-56.6	-165	-172.8	96.2	6.8	111.5	E561 A562 N563 V567 F568 D569 Q608 E612	E561-R565 WeakPolarHBondContact O-CG 3.47Å; E561-R565 PolarHBondContact O-N 3.29Å; E561-R565 IonicContact OE2-NH2 2.81Å; A562-R565 WeakPolarHBondContact O-CB 3.41Å; A562-R565 PolarHBondContact O-N 2.85Å; A562-R565 VanDerWaalsContact O-N 3.09Å; N563-R565 VanDerWaalsContact C-N 3.31Å; N563-R565 PolarHBondContact O-N 2.95Å; R565-V567 VanDerWaalsContact C-N 3.34Å; R565-V567 PolarHBondContact O-N 3.47Å; R565-F568 PolarHBondContact O-N 3.01Å; R565-D569 WeakPolarHBondContact O-CB 3.39Å; R565-D569 VanDerWaalsContact O-CG 3.27Å; R565-D569 PolarHBondContact O-N 2.85Å; R565-Q608 HydrophobicContact CG-CG 4.15Å; R565-Q608 VanDerWaalsContact NE-NE2 3.1Å; R565-E612 WeakPolarHBondContact CG-OE1 3.28Å
566	D	77.5	Confident	73.3	Confident	67 Å²	67	56.2 Å²	56.2	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-38.3	-179.9	-67.4	-15.8	0	0	0	112.1	A562 N563 V564 D569 K570	A562-D566 PolarHBondContact O-N 2.85Å; N563-D566 PolarHBondContact O-N 2.9Å; V564-D566 VanDerWaalsContact C-N 3.32Å; V564-D566 PolarHBondContact O-N 3.38Å; D566-D569 PolarHBondContact O-N 3.18Å; D566-K570 WeakPolarHBondContact O-CB 3.44Å; D566-K570 WeakPolarHBondContact O-CG 3.5Å; D566-K570 PolarHBondContact O-N 2.88Å
567	V	82.6	Confident	75.3	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-46.1	174.2	167.3	0	0	0	0	111	T472 I547 N563 V564 R565 K570 A571 L579	T472-V567 HydrophobicContact CG2-CG2 4.47Å; I547-V567 HydrophobicContact CD1-CG1 4.06Å; I547-V567 HydrophobicContact CD1-CG2 3.97Å; I547-V567 HydrophobicContact CG1-CG1 3.87Å; N563-V567 VanDerWaalsContact O-CG2 3.31Å; N563-V567 WeakPolarHBondContact O-CG2 3.49Å; N563-V567 PolarHBondContact O-N 2.96Å; V564-V567 PolarHBondContact O-N 3.43Å; R565-V567 VanDerWaalsContact C-N 3.34Å; R565-V567 PolarHBondContact O-N 3.47Å; V567-K570 PolarHBondContact O-N 3.29Å; V567-A571 WeakPolarHBondContact O-CB 3.44Å; V567-A571 PolarHBondContact O-N 3.17Å; V567-L579 HydrophobicContact CG1-CD1 3.81Å; V567-L579 HydrophobicContact CG1-CD2 4.45Å
568	F	85.9	Confident	77.3	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70	-37.1	178	-85.1	-93.5	0	0	0	112.4	V564 R565 K570 A571 R572 L579 F581 I609 E612 M613 M616 I624	V564-F568 HydrophobicContact CG1-CD2 3.87Å; V564-F568 HydrophobicContact CG1-CE2 3.89Å; V564-F568 WeakPolarHBondContact O-CD2 3.21Å; V564-F568 PolarHBondContact O-N 2.77Å; V564-F568 VanDerWaalsContact O-N 3.07Å; R565-F568 PolarHBondContact O-N 3.01Å; F568-K570 VanDerWaalsContact C-N 3.32Å; F568-A571 PolarHBondContact O-N 2.96Å; F568-R572 WeakPolarHBondContact O-CB 3.43Å; F568-R572 VanDerWaalsContact O-CG 3.25Å; F568-R572 WeakPolarHBondContact O-CG 3.36Å; F568-R572 PolarHBondContact O-N 3.29Å; F568-L579 HydrophobicContact CD1-CD2 4.01Å; F568-L579 HydrophobicContact CD2-CD2 4.38Å; F568-L579 HydrophobicContact CE1-CD2 3.82Å; F568-L579 HydrophobicContact CE2-CD2 4.21Å; F568-L579 HydrophobicContact CG-CD2 4.31Å; F568-L579 HydrophobicContact CZ-CD2 3.93Å; F568-F581 HydrophobicContact CE2-CE2 4.39Å; F568-F581 AromaticContact CE2-CZ 3.77Å; F568-F581 HydrophobicContact CE2-CZ 3.77Å; F568-F581 HydrophobicContact CZ-CE2 4.12Å; F568-F581 AromaticContact CZ-CZ 3.97Å; F568-F581 HydrophobicContact CZ-CZ 3.97Å; F568-I609 HydrophobicContact CE2-CG1 4.47Å; F568-I609 HydrophobicContact CE2-CG2 4.36Å; F568-I609 HydrophobicContact CZ-CG2 4.24Å; F568-E612 HydrophobicContact CB-CB 4.11Å; F568-E612 HydrophobicContact CB-CG 4.01Å; F568-E612 HydrophobicContact CD1-CB 3.61Å; F568-E612 HydrophobicContact CD1-CG 4.41Å; F568-E612 HydrophobicContact CD2-CB 3.53Å; F568-E612 HydrophobicContact CD2-CG 3.66Å; F568-E612 HydrophobicContact CE1-CB 3.75Å; F568-E612 HydrophobicContact CE2-CB 3.68Å; F568-E612 HydrophobicContact CE2-CG 4.16Å; F568-E612 HydrophobicContact CG-CB 3.48Å; F568-E612 VanDerWaalsContact CG-CB 3.48Å; F568-E612 HydrophobicContact CG-CG 3.78Å; F568-E612 HydrophobicContact CZ-CB 3.79Å; F568-M613 HydrophobicContact CE1-CG 4.22Å; F568-M613 HydrophobicContact CZ-CG 4Å; F568-M616 HydrophobicContact CD1-CG 4.37Å; F568-M616 HydrophobicContact CD1-SD 3.55Å; F568-M616 VanDerWaalsContact CD1-SD 3.55Å; F568-M616 HydrophobicContact CE1-SD 3.58Å; F568-M616 VanDerWaalsContact CE1-SD 3.58Å; F568-I624 HydrophobicContact CE1-CD1 3.82Å; F568-I624 HydrophobicContact CZ-CD1 4.33Å
569	D	78.7	Confident	78.8	Confident	49 Å²	49	32.5 Å²	32.5	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-60	-44	172.5	-74.8	-7.5	0	0	0	110.5	N356 R565 D566 R572 A573	N356-D569 PolarHBondContact ND2-OD2 3.07Å; R565-D569 WeakPolarHBondContact O-CB 3.39Å; R565-D569 VanDerWaalsContact O-CG 3.27Å; R565-D569 PolarHBondContact O-N 2.85Å; D566-D569 PolarHBondContact O-N 3.18Å; D569-R572 PolarHBondContact O-N 2.97Å; D569-R572 IonicContact OD1-CZ 3.98Å; D569-R572 IonicContact OD1-NH1 2.63Å; D569-R572 PolarHBondContact OD1-NH1 2.92Å; D569-R572 IonicContact OD1-NH2 3Å; D569-R572 PolarHBondContact OD1-NH2 3.37Å; D569-A573 PolarHBondContact O-N 3.2Å
570	K	74.8	Confident	80.2	Confident	47 Å²	47	28 Å²	28	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-46.2	175.2	-75	171.2	-175.7	171.2	0	112.5	E471 T472 D566 V567 F568 R572 A573 A574	E471-K570 WeakPolarHBondContact OE2-CE 3.49Å; E471-K570 IonicContact OE2-NZ 3.75Å; E471-K570 PolarHBondContact OE2-NZ 3.37Å; T472-K570 VanDerWaalsContact OG1-CD 3.31Å; T472-K570 WeakPolarHBondContact OG1-CD 3.37Å; D566-K570 WeakPolarHBondContact O-CB 3.44Å; D566-K570 WeakPolarHBondContact O-CG 3.5Å; D566-K570 PolarHBondContact O-N 2.88Å; V567-K570 PolarHBondContact O-N 3.29Å; F568-K570 VanDerWaalsContact C-N 3.32Å; K570-R572 PolarHBondContact O-N 2.88Å; K570-A573 CarbonylContact O-C 3.56Å; K570-A573 PolarHBondContact O-N 3.49Å; K570-A573 VanDerWaalsContact O-N 3.08Å; K570-A574 WeakPolarHBondContact O-CB 3.28Å; K570-A574 PolarHBondContact O-N 3.46Å
571	A	82.2	Confident	81.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-40.2	174.9	0	0	0	0	0	111.4	I545 V567 F568 A574 A575 L579 V622	I545-A571 HydrophobicContact CD1-CB 3.92Å; V567-A571 WeakPolarHBondContact O-CB 3.44Å; V567-A571 PolarHBondContact O-N 3.17Å; F568-A571 PolarHBondContact O-N 2.96Å; A571-A574 CarbonylContact O-C 3.55Å; A571-A574 PolarHBondContact O-N 3.42Å; A571-A575 PolarHBondContact O-N 3.38Å; A571-L579 HydrophobicContact CB-CB 4.45Å; A571-L579 HydrophobicContact CB-CD1 4.49Å; A571-L579 HydrophobicContact CB-CD2 4.26Å; A571-V622 HydrophobicContact CB-CG1 3.93Å; A571-V622 VanDerWaalsContact O-CG2 3.27Å; A571-V622 WeakPolarHBondContact O-CG2 3.44Å
572	R	80.6	Confident	82.1	Confident	52 Å²	52	25.7 Å²	25.7	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-31.5	175.7	-75.3	-173.5	-100.2	105.2	-7.3	113.1	F568 D569 K570 E612 K620 V622	F568-R572 WeakPolarHBondContact O-CB 3.43Å; F568-R572 VanDerWaalsContact O-CG 3.25Å; F568-R572 WeakPolarHBondContact O-CG 3.36Å; F568-R572 PolarHBondContact O-N 3.29Å; D569-R572 PolarHBondContact O-N 2.97Å; D569-R572 IonicContact OD1-CZ 3.98Å; D569-R572 IonicContact OD1-NH1 2.63Å; D569-R572 PolarHBondContact OD1-NH1 2.92Å; D569-R572 IonicContact OD1-NH2 3Å; D569-R572 PolarHBondContact OD1-NH2 3.37Å; K570-R572 PolarHBondContact O-N 2.88Å; R572-E612 IonicContact CZ-OE2 3.72Å; R572-E612 IonicContact NH2-OE2 3.56Å; R572-E612 PolarHBondContact NH2-OE2 2.8Å; R572-K620 HydrophobicContact CB-CD 3.83Å; R572-K620 HydrophobicContact CG-CD 3.84Å; R572-V622 HydrophobicContact CG-CG2 4.33Å
573	A	71.4	Confident	82.7	Confident	39 Å²	39	28.4 Å²	28.4	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-77.6	-29.7	174.2	0	0	0	0	0	112.6	I376 D569 K570	I376-A573 WeakPolarHBondContact CD1-O 3.46Å; D569-A573 PolarHBondContact O-N 3.2Å; K570-A573 CarbonylContact O-C 3.56Å; K570-A573 PolarHBondContact O-N 3.49Å; K570-A573 VanDerWaalsContact O-N 3.08Å
574	A	75.6	Confident	83.3	Confident	2 Å²	2	27.5 Å²	27.5	2%	0.017	15%	0.146	C	C	.	.	S	Bend	trans	-90.9	11.4	178.9	0	0	0	0	0	113.7	L469 V474 N543 K570 A571 P576 C577	L469-A574 HydrophobicContact CD2-CB 4.41Å; V474-A574 HydrophobicContact CG1-CB 4.41Å; N543-A574 HydrophobicContact CB-CB 4.32Å; N543-A574 PolarHBondContact ND2-O 3.35Å; K570-A574 WeakPolarHBondContact O-CB 3.28Å; K570-A574 PolarHBondContact O-N 3.46Å; A571-A574 CarbonylContact O-C 3.55Å; A571-A574 PolarHBondContact O-N 3.42Å; A574-P576 CarbonylContact O-C 3.51Å; A574-C577 HydrophobicContact CB-CB 4.47Å; A574-C577 WeakPolarHBondContact O-CB 3.41Å
575	A	77	Confident	83.4	Confident	40 Å²	40	28.1 Å²	28.1	33%	0.331	15%	0.149	S	C	.	.			trans	-61.5	139.7	179.7	0	0	0	0	0	111.7	A571 V622	A571-A575 PolarHBondContact O-N 3.38Å; A575-V622 HydrophobicContact CB-CG2 4.05Å
576	P	80.1	Confident	83.4	Confident	57 Å²	57	25.5 Å²	25.5	37%	0.37	15%	0.145	S	C	.	.	S	Bend	cis	-70.6	130	1.8	29.8	-34	0	0	0	112.2	A542 N543 A574 N621	A542-P576 CarbonylContact C-O 3.5Å; A542-P576 WeakPolarHBondContact CA-O 3.12Å; A542-P576 HydrophobicContact CB-CB 4.25Å; N543-P576 PolarHBondContact N-O 3.38Å; A574-P576 CarbonylContact O-C 3.51Å; P576-N621 VanDerWaalsContact CA-O 3.31Å; P576-N621 WeakPolarHBondContact CA-O 3.33Å; P576-N621 HydrophobicContact CB-CB 4.14Å
577	C	85	Confident	83.4	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.2	-171.8	-179.5	0	0	0	0	112.9	N543 A574 N621 V622 F623	N543-C577 HydrophobicContact CB-CB 4.25Å; N543-C577 CarbonylContact O-C 3.48Å; N543-C577 WeakPolarHBondContact O-CA 3.48Å; N543-C577 PolarHBondContact O-SG 3.49Å; N543-C577 VanDerWaalsContact O-SG 3.37Å; A574-C577 HydrophobicContact CB-CB 4.47Å; A574-C577 WeakPolarHBondContact O-CB 3.41Å; C577-N621 PolarHBondContact N-O 3.36Å; C577-V622 HydrophobicContact CB-CG2 4.45Å; C577-V622 CarbonylContact O-C 3.52Å; C577-V622 VanDerWaalsContact O-CA 3.27Å; C577-V622 WeakPolarHBondContact O-CA 3.45Å; C577-F623 PolarHBondContact O-N 3.13Å
578	V	90.3	Very high	82.7	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.5	166.1	177.6	0	0	0	0	108.7	A537 A542 N543 F544 I545 F623 I625	A537-V578 HydrophobicContact CB-CB 3.88Å; A537-V578 HydrophobicContact CB-CG1 4.49Å; A537-V578 HydrophobicContact CB-CG2 3.68Å; A542-V578 HydrophobicContact CB-CG2 4.32Å; N543-V578 PolarHBondContact O-N 2.87Å; F544-V578 HydrophobicContact CD2-CB 4.12Å; F544-V578 HydrophobicContact CD2-CG1 4.08Å; F544-V578 HydrophobicContact CE2-CG1 4.14Å; I545-V578 PolarHBondContact N-O 2.82Å; V578-F623 CarbonylContact C-O 3.49Å; V578-F623 WeakPolarHBondContact CA-O 3.47Å; V578-I625 HydrophobicContact CG1-CD1 3.62Å; V578-I625 HydrophobicContact CG1-CG1 3.97Å
579	L	91.9	Very high	81.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106	175.5	-179.6	60.7	0	0	0	109.3	I545 I547 V567 F568 A571 F581 V622 F623 I624 I625	I545-L579 HydrophobicContact CB-CD1 3.84Å; I545-L579 HydrophobicContact CG2-CD1 3.68Å; I547-L579 HydrophobicContact CG1-CD1 4.27Å; V567-L579 HydrophobicContact CG1-CD1 3.81Å; V567-L579 HydrophobicContact CG1-CD2 4.45Å; F568-L579 HydrophobicContact CD1-CD2 4.01Å; F568-L579 HydrophobicContact CD2-CD2 4.38Å; F568-L579 HydrophobicContact CE1-CD2 3.82Å; F568-L579 HydrophobicContact CE2-CD2 4.21Å; F568-L579 HydrophobicContact CG-CD2 4.31Å; F568-L579 HydrophobicContact CZ-CD2 3.93Å; A571-L579 HydrophobicContact CB-CB 4.45Å; A571-L579 HydrophobicContact CB-CD1 4.49Å; A571-L579 HydrophobicContact CB-CD2 4.26Å; L579-F581 HydrophobicContact CD1-CZ 4.48Å; L579-F581 HydrophobicContact CD2-CE2 3.65Å; L579-F581 HydrophobicContact CD2-CZ 3.79Å; L579-F581 HydrophobicContact CG-CD2 4.37Å; L579-F581 HydrophobicContact CG-CE2 3.71Å; L579-F581 HydrophobicContact CG-CZ 4.05Å; L579-V622 HydrophobicContact CB-CG1 4.33Å; L579-F623 PolarHBondContact N-O 2.88Å; L579-I624 WeakPolarHBondContact O-CA 3.32Å; L579-I625 PolarHBondContact O-N 3.21Å
580	F	93.6	Very high	80.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.5	-176	-178.7	-115.3	0	0	0	111.9	F521 T530 A533 F544 I545 S546 I547 D582 I625 A627	F521-F580 HydrophobicContact CD2-CE2 4.43Å; T530-F580 HydrophobicContact CG2-CE1 3.78Å; T530-F580 HydrophobicContact CG2-CZ 4.38Å; A533-F580 HydrophobicContact CB-CD2 3.51Å; A533-F580 HydrophobicContact CB-CE2 3.68Å; A533-F580 HydrophobicContact CB-CG 3.98Å; A533-F580 HydrophobicContact CB-CZ 4.29Å; F544-F580 HydrophobicContact CE1-CB 4.3Å; F544-F580 HydrophobicContact CE1-CD1 4.38Å; F544-F580 HydrophobicContact CE2-CB 3.57Å; F544-F580 HydrophobicContact CE2-CG 4.11Å; F544-F580 HydrophobicContact CZ-CB 3.42Å; F544-F580 VanDerWaalsContact CZ-CB 3.42Å; F544-F580 AromaticContact CZ-CD1 3.68Å; F544-F580 HydrophobicContact CZ-CD1 3.68Å; F544-F580 AromaticContact CZ-CG 3.66Å; F544-F580 HydrophobicContact CZ-CG 3.66Å; I545-F580 PolarHBondContact O-N 3.21Å; S546-F580 WeakPolarHBondContact CA-O 3.5Å; I547-F580 PolarHBondContact N-O 3.46Å; F580-D582 HydrophobicContact CD1-CB 4.13Å; F580-D582 HydrophobicContact CE1-CB 3.48Å; F580-D582 VanDerWaalsContact CE1-CB 3.48Å; F580-D582 HydrophobicContact CZ-CB 4.05Å; F580-I625 CarbonylContact C-O 3.58Å; F580-I625 VanDerWaalsContact CA-O 3.24Å; F580-I625 WeakPolarHBondContact CA-O 3.43Å; F580-I625 HydrophobicContact CD2-CB 3.87Å; F580-I625 HydrophobicContact CD2-CG2 3.63Å; F580-I625 WeakPolarHBondContact CD2-O 3.47Å; F580-I625 HydrophobicContact CE2-CG2 3.87Å; F580-A627 HydrophobicContact CE2-CB 3.59Å; F580-A627 HydrophobicContact CZ-CB 3.53Å
581	F	92	Very high	80	Confident	7 Å²	7	32.8 Å²	32.8	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	101.7	172.2	-69.3	-80.5	0	0	0	109.9	I547 L552 F568 L579 L584 I609 I624 I625 G626 A627	I547-F581 HydrophobicContact CB-CD1 4.1Å; I547-F581 HydrophobicContact CB-CE1 4.29Å; I547-F581 HydrophobicContact CG2-CD1 4.27Å; I547-F581 HydrophobicContact CG2-CE1 4.36Å; I547-F581 WeakPolarHBondContact O-CA 3.48Å; L552-F581 HydrophobicContact CD1-CD1 4.14Å; L552-F581 HydrophobicContact CD1-CE1 4.1Å; F568-F581 HydrophobicContact CE2-CE2 4.39Å; F568-F581 AromaticContact CE2-CZ 3.77Å; F568-F581 HydrophobicContact CE2-CZ 3.77Å; F568-F581 HydrophobicContact CZ-CE2 4.12Å; F568-F581 AromaticContact CZ-CZ 3.97Å; F568-F581 HydrophobicContact CZ-CZ 3.97Å; L579-F581 HydrophobicContact CD1-CZ 4.48Å; L579-F581 HydrophobicContact CD2-CE2 3.65Å; L579-F581 HydrophobicContact CD2-CZ 3.79Å; L579-F581 HydrophobicContact CG-CD2 4.37Å; L579-F581 HydrophobicContact CG-CE2 3.71Å; L579-F581 HydrophobicContact CG-CZ 4.05Å; F581-L584 HydrophobicContact CB-CD1 3.84Å; F581-I609 HydrophobicContact CE1-CD1 4.21Å; F581-I624 HydrophobicContact CD2-CG2 3.88Å; F581-I624 HydrophobicContact CE2-CG2 3.87Å; F581-I625 PolarHBondContact N-O 3.43Å; F581-G626 CarbonylContact O-C 3.47Å; F581-A627 PolarHBondContact O-N 2.56Å
582	D	91	Very high	78.5	Confident	26 Å²	26	36.7 Å²	36.7	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	150.5	175.7	-149.2	-10.9	0	0	0	111.3	T530 I547 K548 G549 F580 L584	T530-D582 PolarHBondContact OG1-OD2 2.94Å; T530-D582 VanDerWaalsContact OG1-OD2 3.07Å; I547-D582 PolarHBondContact O-N 3.27Å; K548-D582 HydrophobicContact CG-CB 4.39Å; G549-D582 PolarHBondContact N-O 2.56Å; F580-D582 HydrophobicContact CD1-CB 4.13Å; F580-D582 HydrophobicContact CE1-CB 3.48Å; F580-D582 VanDerWaalsContact CE1-CB 3.48Å; F580-D582 HydrophobicContact CZ-CB 4.05Å; D582-L584 VanDerWaalsContact C-N 3.27Å; D582-L584 PolarHBondContact O-N 2.74Å
583	E	87.3	Confident	77.2	Confident	84 Å²	84	38.6 Å²	38.6	39%	0.393	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	46.1	-178.1	-58.1	-175.3	160.3	0	0	112.9	D585 S586 A627	E583-D585 PolarHBondContact O-N 2.68Å; E583-S586 VanDerWaalsContact O-CB 3.32Å; E583-S586 WeakPolarHBondContact O-CB 3.47Å; E583-S586 PolarHBondContact O-N 3.06Å; E583-S586 PolarHBondContact O-OG 3.1Å; E583-A627 PolarHBondContact N-O 3.24Å
584	L	87.2	Confident	76.3	Confident	7 Å²	7	41 Å²	41	4%	0.037	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.7	-24.8	-175.8	-160.2	148.3	0	0	0	111.9	F581 D582 S586 I587 A588 A627 I634 I638 L644	F581-L584 HydrophobicContact CB-CD1 3.84Å; D582-L584 VanDerWaalsContact C-N 3.27Å; D582-L584 PolarHBondContact O-N 2.74Å; L584-S586 PolarHBondContact O-N 3.25Å; L584-I587 VanDerWaalsContact O-CG1 3.3Å; L584-I587 WeakPolarHBondContact O-CG1 3.39Å; L584-I587 PolarHBondContact O-N 3.05Å; L584-A588 HydrophobicContact CD2-CB 3.37Å; L584-A588 HydrophobicContact CG-CB 4.45Å; L584-A588 WeakPolarHBondContact O-CB 2.96Å; L584-A588 PolarHBondContact O-N 2.73Å; L584-A627 WeakPolarHBondContact CB-O 3.3Å; L584-A627 PolarHBondContact N-O 3.09Å; L584-I634 HydrophobicContact CD2-CD1 3.66Å; L584-I638 HydrophobicContact CD2-CD1 3.74Å; L584-L644 HydrophobicContact CD1-CD1 4.16Å
585	D	84.9	Confident	75	Confident	15 Å²	15	51 Å²	51	8%	0.08	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-69.7	-11.1	174.7	70.9	-64.9	0	0	0	115	E583 K589 T628 R630 I633 I634	E583-D585 PolarHBondContact O-N 2.68Å; D585-K589 WeakPolarHBondContact O-CE 3.48Å; D585-K589 VanDerWaalsContact O-CG 3.24Å; D585-K589 WeakPolarHBondContact O-CG 3.41Å; D585-T628 WeakPolarHBondContact CB-OG1 3.47Å; D585-R630 HydrophobicContact CB-CB 4.14Å; D585-R630 IonicContact OD2-CZ 2.8Å; D585-R630 IonicContact OD2-NE 3.41Å; D585-R630 PolarHBondContact OD2-NE 3.42Å; D585-R630 IonicContact OD2-NH2 3.56Å; D585-R630 PolarHBondContact OD2-NH2 3.18Å; D585-I633 HydrophobicContact CB-CD1 3.99Å; D585-I633 HydrophobicContact CB-CG1 4Å; D585-I634 HydrophobicContact CB-CD1 4.03Å
586	S	81.8	Confident	73.9	Confident	35 Å²	35	51.3 Å²	51.3	25%	0.245	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-73.5	-30.6	172.9	65.1	0	0	0	0	112.6	G549 E583 L584	G549-S586 VanDerWaalsContact CA-OG 3.23Å; G549-S586 WeakPolarHBondContact CA-OG 3.44Å; E583-S586 VanDerWaalsContact O-CB 3.32Å; E583-S586 WeakPolarHBondContact O-CB 3.47Å; E583-S586 PolarHBondContact O-N 3.06Å; E583-S586 PolarHBondContact O-OG 3.1Å; L584-S586 PolarHBondContact O-N 3.25Å
587	I	77.3	Confident	72.8	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-30	-179.9	56.4	170.2	0	0	0	113.2	G549 L552 L553 L584 K589 V605 I606 I609	G549-I587 VanDerWaalsContact O-CG2 3.24Å; G549-I587 WeakPolarHBondContact O-CG2 3.46Å; L552-I587 HydrophobicContact CD1-CD1 3.5Å; L552-I587 VanDerWaalsContact CD1-CD1 3.5Å; L553-I587 HydrophobicContact CD1-CG2 4.17Å; L553-I587 HydrophobicContact CD2-CG2 4.23Å; L553-I587 HydrophobicContact CG-CG2 3.95Å; L584-I587 VanDerWaalsContact O-CG1 3.3Å; L584-I587 WeakPolarHBondContact O-CG1 3.39Å; L584-I587 PolarHBondContact O-N 3.05Å; I587-K589 PolarHBondContact O-N 3.25Å; I587-V605 HydrophobicContact CD1-CG1 4.46Å; I587-I606 HydrophobicContact CB-CD1 4.3Å; I587-I606 HydrophobicContact CD1-CD1 3.96Å; I587-I606 HydrophobicContact CG1-CD1 3.94Å; I587-I609 HydrophobicContact CD1-CD1 3.89Å
588	A	68.6	Low	71.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	37%	0.37	C	S	.	.			trans	-100	36.5	-170.5	0	0	0	0	0	113.6	L584 S590 I606 I634 D635 I638	L584-A588 HydrophobicContact CD2-CB 3.37Å; L584-A588 HydrophobicContact CG-CB 4.45Å; L584-A588 WeakPolarHBondContact O-CB 2.96Å; L584-A588 PolarHBondContact O-N 2.73Å; A588-S590 PolarHBondContact O-N 3.23Å; A588-I606 HydrophobicContact CB-CD1 3.58Å; A588-I606 HydrophobicContact CB-CG1 4.24Å; A588-I634 HydrophobicContact CB-CD1 4.14Å; A588-I634 WeakPolarHBondContact O-CA 3.17Å; A588-D635 PolarHBondContact O-N 3.1Å; A588-D635 VanDerWaalsContact O-N 3.08Å; A588-I638 HydrophobicContact CB-CD1 3.71Å
589	K	66.3	Low	69.9	Low	103 Å²	103	61.9 Å²	61.9	45%	0.448	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-66.6	132	178.7	-62	-172.7	-176.1	169.3	0	109.9	D585 I587 R591 I633	D585-K589 WeakPolarHBondContact O-CE 3.48Å; D585-K589 VanDerWaalsContact O-CG 3.24Å; D585-K589 WeakPolarHBondContact O-CG 3.41Å; I587-K589 PolarHBondContact O-N 3.25Å; K589-R591 PolarHBondContact O-N 3.35Å; K589-I633 CarbonylContact C-O 3.57Å; K589-I633 VanDerWaalsContact CA-O 3.28Å; K589-I633 WeakPolarHBondContact CA-O 3.35Å; K589-I633 HydrophobicContact CG-CD1 4.07Å
590	S	58.9	Low	68.7	Low	51 Å²	51	63.4 Å²	63.4	36%	0.357	40%	0.399	S	S	.	.			trans	-50.1	124.7	175.9	61.1	0	0	0	0	110.1	A588 G592 I633	A588-S590 PolarHBondContact O-N 3.23Å; S590-G592 PolarHBondContact O-N 3.03Å; S590-I633 PolarHBondContact N-O 2.82Å
591	R	56.3	Low	67.5	Low	162 Å²	162	65 Å²	65	61%	0.611	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.5	123.5	179.1	-63.7	178.2	-175.9	-171.8	-0.8	110.5	K589	K589-R591 PolarHBondContact O-N 3.35Å
592	G	52.4	Low	66.4	Low	82 Å²	82	65.7 Å²	65.7	85%	0.845	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.3	3.8	166.1	0	0	0	0	0	118.7	S590	S590-G592 PolarHBondContact O-N 3.03Å
593	A	52.8	Low	65.6	Low	91 Å²	91	66.9 Å²	66.9	75%	0.752	43%	0.425	S	S	*	.	S	Bend	trans	-90.4	-10.2	179.7	0	0	0	0	0	115.6
594	S	51.6	Low	65.2	Low	90 Å²	90	69.1 Å²	69.1	63%	0.629	43%	0.43	S	S	*	.			trans	-129.1	109.1	-176.1	-53.1	0	0	0	0	110.7	G596	S594-G596 PolarHBondContact O-N 3.28Å
595	M	48.7	Very low	65	Low	211 Å²	211	68.8 Å²	68.8	100%	1.039	43%	0.428	S	S	*	.			trans	-66.8	96.1	161.7	-84.3	-144.8	-176.9	0	0	108.6
596	G	54.6	Low	64.9	Low	48 Å²	48	68.3 Å²	68.3	50%	0.495	43%	0.425	S	S	.	.	S	Bend	trans	166	148.1	172.1	0	0	0	0	0	113.6	S594 A598 G599	S594-G596 PolarHBondContact O-N 3.28Å; G596-A598 PolarHBondContact O-N 3.22Å; G596-G599 PolarHBondContact O-N 3.33Å; G596-G599 VanDerWaalsContact O-N 3.13Å
597	D	55.9	Low	65	Low	166 Å²	166	69.9 Å²	69.9	89%	0.888	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-16.2	-178	-78.9	-27.4	0	0	0	115	G599 G600	D597-G599 PolarHBondContact O-N 3.39Å; D597-G600 PolarHBondContact O-N 3.13Å
598	A	55	Low	65.5	Low	90 Å²	90	70.3 Å²	70.3	74%	0.744	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.2	175.4	0	0	0	0	0	113.3	G596 G600	G596-A598 PolarHBondContact O-N 3.22Å; A598-G600 VanDerWaalsContact C-N 3.34Å; A598-G600 PolarHBondContact O-N 2.99Å
599	G	59.4	Low	66.4	Low	26 Å²	26	70.8 Å²	70.8	27%	0.268	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-32.8	177.7	0	0	0	0	0	113.8	G596 D597 A601 A602 D603	G596-G599 PolarHBondContact O-N 3.33Å; G596-G599 VanDerWaalsContact O-N 3.13Å; D597-G599 PolarHBondContact O-N 3.39Å; G599-A601 VanDerWaalsContact C-N 3.29Å; G599-A601 PolarHBondContact O-N 3.45Å; G599-A602 PolarHBondContact O-N 2.74Å; G599-D603 PolarHBondContact O-N 3.42Å; G599-D603 VanDerWaalsContact O-N 3.13Å
600	G	68	Low	67.5	Low	33 Å²	33	66.3 Å²	66.3	34%	0.34	42%	0.416	S	S	.	.	H	α-helix	trans	-70.4	-21.6	-174.8	0	0	0	0	0	114.4	D597 A598 R604	D597-G600 PolarHBondContact O-N 3.13Å; A598-G600 VanDerWaalsContact C-N 3.34Å; A598-G600 PolarHBondContact O-N 2.99Å; G600-R604 WeakPolarHBondContact O-CG 3.39Å; G600-R604 PolarHBondContact O-N 3.28Å; G600-R604 PolarHBondContact O-NE 3.28Å
601	A	67.9	Low	68.9	Low	33 Å²	33	67.8 Å²	67.8	27%	0.273	42%	0.423	S	S	.	.	H	α-helix	trans	-73.9	-43.8	173.9	0	0	0	0	0	111.6	G599 R604 V605	G599-A601 VanDerWaalsContact C-N 3.29Å; G599-A601 PolarHBondContact O-N 3.45Å; A601-R604 PolarHBondContact O-N 2.68Å; A601-V605 WeakPolarHBondContact O-CG2 3.44Å; A601-V605 PolarHBondContact O-N 3.38Å; A601-V605 VanDerWaalsContact O-N 3.16Å
602	A	68.8	Low	70.4	Confident	21 Å²	21	61.1 Å²	61.1	17%	0.174	40%	0.399	C	S	.	.	H	α-helix	trans	-63.6	-44.5	177.3	0	0	0	0	0	111.3	G599 R604 V605 I606	G599-A602 PolarHBondContact O-N 2.74Å; A602-R604 VanDerWaalsContact C-N 3.31Å; A602-R604 PolarHBondContact O-N 2.76Å; A602-V605 WeakPolarHBondContact O-CB 3.22Å; A602-V605 PolarHBondContact O-N 3.36Å; A602-V605 VanDerWaalsContact O-N 3.16Å; A602-I606 WeakPolarHBondContact O-CG1 3.46Å; A602-I606 PolarHBondContact O-N 3.44Å
603	D	74	Confident	72.1	Confident	51 Å²	51	57.4 Å²	57.4	27%	0.273	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-40.1	177.7	-72.7	-17	0	0	0	112.6	G599 I606 N607	G599-D603 PolarHBondContact O-N 3.42Å; G599-D603 VanDerWaalsContact O-N 3.13Å; D603-I606 PolarHBondContact O-N 2.9Å; D603-N607 WeakPolarHBondContact O-CB 3.28Å; D603-N607 VanDerWaalsContact O-CG 3.27Å; D603-N607 PolarHBondContact O-N 3.49Å; D603-N607 PolarHBondContact O-ND2 3.31Å; D603-N607 VanDerWaalsContact O-ND2 3.09Å
604	R	79.2	Confident	73.6	Confident	132 Å²	132	56.8 Å²	56.8	50%	0.498	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-42.9	175.8	-82.1	-176.4	-70.1	177.2	1.6	112.4	E561 G600 A601 A602 N607 Q608	E561-R604 HydrophobicContact CG-CB 4.13Å; E561-R604 VanDerWaalsContact OE1-CB 3.31Å; E561-R604 WeakPolarHBondContact OE1-CB 3.35Å; E561-R604 VanDerWaalsContact OE1-CD 3.3Å; E561-R604 WeakPolarHBondContact OE1-CD 3.29Å; E561-R604 WeakPolarHBondContact OE1-CG 3.48Å; G600-R604 WeakPolarHBondContact O-CG 3.39Å; G600-R604 PolarHBondContact O-N 3.28Å; G600-R604 PolarHBondContact O-NE 3.28Å; A601-R604 PolarHBondContact O-N 2.68Å; A602-R604 VanDerWaalsContact C-N 3.31Å; A602-R604 PolarHBondContact O-N 2.76Å; R604-N607 PolarHBondContact O-N 3.13Å; R604-Q608 PolarHBondContact O-N 2.96Å
605	V	82.5	Confident	74.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-46.9	175.6	172.2	0	0	0	0	110.8	L552 S560 V564 I587 A601 A602 Q608 I609	L552-V605 HydrophobicContact CB-CG1 4.27Å; L552-V605 HydrophobicContact CD1-CG1 4.44Å; S560-V605 VanDerWaalsContact CB-CG2 3.43Å; S560-V605 VanDerWaalsContact OG-CG2 3.29Å; S560-V605 WeakPolarHBondContact OG-CG2 3.43Å; V564-V605 HydrophobicContact CG2-CG1 3.88Å; I587-V605 HydrophobicContact CD1-CG1 4.46Å; A601-V605 WeakPolarHBondContact O-CG2 3.44Å; A601-V605 PolarHBondContact O-N 3.38Å; A601-V605 VanDerWaalsContact O-N 3.16Å; A602-V605 WeakPolarHBondContact O-CB 3.22Å; A602-V605 PolarHBondContact O-N 3.36Å; A602-V605 VanDerWaalsContact O-N 3.16Å; V605-Q608 PolarHBondContact O-N 2.89Å; V605-I609 HydrophobicContact CG1-CD1 4Å; V605-I609 WeakPolarHBondContact O-CG1 3.49Å; V605-I609 PolarHBondContact O-N 2.96Å
606	I	82.9	Confident	76.2	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-47.3	178.2	-63.5	-55.4	0	0	0	111.3	I587 A588 A602 D603 Q608 I609 L610 I638	I587-I606 HydrophobicContact CB-CD1 4.3Å; I587-I606 HydrophobicContact CD1-CD1 3.96Å; I587-I606 HydrophobicContact CG1-CD1 3.94Å; A588-I606 HydrophobicContact CB-CD1 3.58Å; A588-I606 HydrophobicContact CB-CG1 4.24Å; A602-I606 WeakPolarHBondContact O-CG1 3.46Å; A602-I606 PolarHBondContact O-N 3.44Å; D603-I606 PolarHBondContact O-N 2.9Å; I606-Q608 PolarHBondContact O-N 3.29Å; I606-I609 HydrophobicContact CD1-CD1 4.37Å; I606-I609 PolarHBondContact O-N 3.36Å; I606-I609 VanDerWaalsContact O-N 3.14Å; I606-L610 HydrophobicContact CG2-CD1 4.09Å; I606-L610 HydrophobicContact CG2-CG 4.28Å; I606-L610 VanDerWaalsContact O-CG 3.27Å; I606-L610 WeakPolarHBondContact O-CG 3.42Å; I606-L610 PolarHBondContact O-N 2.76Å; I606-I638 HydrophobicContact CD1-CD1 4.25Å; I606-I638 HydrophobicContact CG2-CD1 4.12Å; I606-I638 HydrophobicContact CG2-CG1 4.33Å
607	N	84.9	Confident	76.7	Confident	68 Å²	68	47.4 Å²	47.4	36%	0.364	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-36.3	177.4	-71	-35.6	0	0	0	111.9	D603 R604 T611	D603-N607 WeakPolarHBondContact O-CB 3.28Å; D603-N607 VanDerWaalsContact O-CG 3.27Å; D603-N607 PolarHBondContact O-N 3.49Å; D603-N607 PolarHBondContact O-ND2 3.31Å; D603-N607 VanDerWaalsContact O-ND2 3.09Å; R604-N607 PolarHBondContact O-N 3.13Å; N607-T611 WeakPolarHBondContact O-CB 3.4Å; N607-T611 PolarHBondContact O-N 3.05Å; N607-T611 PolarHBondContact O-OG1 3.27Å
608	Q	87.2	Confident	76.9	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.065	28%	0.281	C	S	.	.	H	α-helix	trans	-70.1	-42	175.3	-169.9	57.3	46.4	0	0	112.2	E561 V564 R565 R604 V605 I606 L610 T611 E612	E561-Q608 HydrophobicContact CB-CB 4.3Å; E561-Q608 HydrophobicContact CB-CG 4.2Å; E561-Q608 HydrophobicContact CG-CB 4.24Å; V564-Q608 HydrophobicContact CB-CB 4.27Å; V564-Q608 HydrophobicContact CB-CG 3.82Å; V564-Q608 HydrophobicContact CG1-CB 4.18Å; V564-Q608 HydrophobicContact CG1-CG 3.79Å; R565-Q608 HydrophobicContact CG-CG 4.15Å; R565-Q608 VanDerWaalsContact NE-NE2 3.1Å; R604-Q608 PolarHBondContact O-N 2.96Å; V605-Q608 PolarHBondContact O-N 2.89Å; I606-Q608 PolarHBondContact O-N 3.29Å; Q608-L610 VanDerWaalsContact C-N 3.29Å; Q608-L610 PolarHBondContact O-N 2.95Å; Q608-T611 WeakPolarHBondContact O-CB 3.3Å; Q608-T611 PolarHBondContact O-N 2.9Å; Q608-T611 VanDerWaalsContact O-N 3.16Å; Q608-E612 PolarHBondContact NE2-OE1 3.41Å; Q608-E612 WeakPolarHBondContact O-CG 3.45Å; Q608-E612 PolarHBondContact O-N 3.02Å
609	I	88.3	Confident	77.1	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-46.4	173.9	-68.7	170.3	0	0	0	109.7	L552 V564 F568 F581 I587 V605 I606 T611 E612 M613	L552-I609 HydrophobicContact CD1-CD1 4.21Å; V564-I609 HydrophobicContact CG1-CB 4.41Å; V564-I609 HydrophobicContact CG1-CG1 3.63Å; V564-I609 HydrophobicContact CG2-CG1 4.11Å; F568-I609 HydrophobicContact CE2-CG1 4.47Å; F568-I609 HydrophobicContact CE2-CG2 4.36Å; F568-I609 HydrophobicContact CZ-CG2 4.24Å; F581-I609 HydrophobicContact CE1-CD1 4.21Å; I587-I609 HydrophobicContact CD1-CD1 3.89Å; V605-I609 HydrophobicContact CG1-CD1 4Å; V605-I609 WeakPolarHBondContact O-CG1 3.49Å; V605-I609 PolarHBondContact O-N 2.96Å; I606-I609 HydrophobicContact CD1-CD1 4.37Å; I606-I609 PolarHBondContact O-N 3.36Å; I606-I609 VanDerWaalsContact O-N 3.14Å; I609-T611 VanDerWaalsContact C-N 3.33Å; I609-T611 PolarHBondContact O-N 2.82Å; I609-E612 PolarHBondContact O-N 3.45Å; I609-M613 HydrophobicContact CG2-CG 4.21Å; I609-M613 HydrophobicContact CG2-SD 3.82Å; I609-M613 WeakPolarHBondContact O-CB 3.21Å; I609-M613 WeakPolarHBondContact O-CG 3.24Å; I609-M613 PolarHBondContact O-N 2.89Å
610	L	88.4	Confident	77.2	Confident	10 Å²	10	51 Å²	51	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-43.1	176.7	-66.7	178.1	0	0	0	112.1	I606 Q608 E612 M613 D614 A637 I638	I606-L610 HydrophobicContact CG2-CD1 4.09Å; I606-L610 HydrophobicContact CG2-CG 4.28Å; I606-L610 VanDerWaalsContact O-CG 3.27Å; I606-L610 WeakPolarHBondContact O-CG 3.42Å; I606-L610 PolarHBondContact O-N 2.76Å; Q608-L610 VanDerWaalsContact C-N 3.29Å; Q608-L610 PolarHBondContact O-N 2.95Å; L610-E612 VanDerWaalsContact C-N 3.34Å; L610-E612 PolarHBondContact O-N 2.9Å; L610-M613 PolarHBondContact O-N 3.32Å; L610-D614 WeakPolarHBondContact O-CB 3.35Å; L610-D614 PolarHBondContact O-N 2.81Å; L610-A637 HydrophobicContact CD1-CB 3.88Å; L610-I638 HydrophobicContact CD2-CG1 3.93Å
611	T	88.1	Confident	77.6	Confident	81 Å²	81	53.5 Å²	53.5	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-42.7	177	-57.9	0	0	0	0	111.4	N607 Q608 I609 G615	N607-T611 WeakPolarHBondContact O-CB 3.4Å; N607-T611 PolarHBondContact O-N 3.05Å; N607-T611 PolarHBondContact O-OG1 3.27Å; Q608-T611 WeakPolarHBondContact O-CB 3.3Å; Q608-T611 PolarHBondContact O-N 2.9Å; Q608-T611 VanDerWaalsContact O-N 3.16Å; I609-T611 VanDerWaalsContact C-N 3.33Å; I609-T611 PolarHBondContact O-N 2.82Å; T611-G615 PolarHBondContact O-N 3.15Å
612	E	88.6	Confident	78.5	Confident	22 Å²	22	52.6 Å²	52.6	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-43.7	176.9	-69.3	-57.6	143.8	0	0	112.2	V564 R565 F568 R572 Q608 I609 L610 D614 G615 M616	V564-E612 HydrophobicContact CG1-CG 4.18Å; R565-E612 WeakPolarHBondContact CG-OE1 3.28Å; F568-E612 HydrophobicContact CB-CB 4.11Å; F568-E612 HydrophobicContact CB-CG 4.01Å; F568-E612 HydrophobicContact CD1-CB 3.61Å; F568-E612 HydrophobicContact CD1-CG 4.41Å; F568-E612 HydrophobicContact CD2-CB 3.53Å; F568-E612 HydrophobicContact CD2-CG 3.66Å; F568-E612 HydrophobicContact CE1-CB 3.75Å; F568-E612 HydrophobicContact CE2-CB 3.68Å; F568-E612 HydrophobicContact CE2-CG 4.16Å; F568-E612 HydrophobicContact CG-CB 3.48Å; F568-E612 VanDerWaalsContact CG-CB 3.48Å; F568-E612 HydrophobicContact CG-CG 3.78Å; F568-E612 HydrophobicContact CZ-CB 3.79Å; R572-E612 IonicContact CZ-OE2 3.72Å; R572-E612 IonicContact NH2-OE2 3.56Å; R572-E612 PolarHBondContact NH2-OE2 2.8Å; Q608-E612 PolarHBondContact NE2-OE1 3.41Å; Q608-E612 WeakPolarHBondContact O-CG 3.45Å; Q608-E612 PolarHBondContact O-N 3.02Å; I609-E612 PolarHBondContact O-N 3.45Å; L610-E612 VanDerWaalsContact C-N 3.34Å; L610-E612 PolarHBondContact O-N 2.9Å; E612-D614 PolarHBondContact O-N 3.37Å; E612-G615 PolarHBondContact O-N 3.42Å; E612-M616 VanDerWaalsContact O-CG 3.3Å; E612-M616 WeakPolarHBondContact O-CG 3.36Å; E612-M616 PolarHBondContact O-N 3.08Å
613	M	87.4	Confident	79.5	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-43.1	177.3	-71.6	179.3	76.6	0	0	112.5	R517 F568 I609 L610 I624 R643 L644	R517-M613 PolarHBondContact NH1-O 3.22Å; F568-M613 HydrophobicContact CE1-CG 4.22Å; F568-M613 HydrophobicContact CZ-CG 4Å; I609-M613 HydrophobicContact CG2-CG 4.21Å; I609-M613 HydrophobicContact CG2-SD 3.82Å; I609-M613 WeakPolarHBondContact O-CB 3.21Å; I609-M613 WeakPolarHBondContact O-CG 3.24Å; I609-M613 PolarHBondContact O-N 2.89Å; L610-M613 PolarHBondContact O-N 3.32Å; M613-I624 HydrophobicContact CB-CD1 4.44Å; M613-I624 HydrophobicContact CE-CD1 4.08Å; M613-I624 HydrophobicContact CG-CD1 3.64Å; M613-R643 VanDerWaalsContact CE-C 3.42Å; M613-R643 HydrophobicContact CE-CB 3.68Å; M613-R643 HydrophobicContact CE-CG 4.4Å; M613-L644 HydrophobicContact CE-CD2 3.61Å; M613-L644 HydrophobicContact CE-CG 3.73Å
614	D	85.5	Confident	80.4	Confident	78 Å²	78	50.2 Å²	50.2	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-70.1	-39.9	178.7	-66.9	-16.3	0	0	0	110.2	R517 L610 E612 M616 R643	R517-D614 PolarHBondContact NH1-O 2.83Å; R517-D614 VanDerWaalsContact NH1-O 3.12Å; L610-D614 WeakPolarHBondContact O-CB 3.35Å; L610-D614 PolarHBondContact O-N 2.81Å; E612-D614 PolarHBondContact O-N 3.37Å; D614-M616 VanDerWaalsContact C-N 3.32Å; D614-M616 PolarHBondContact O-N 2.84Å; D614-R643 IonicContact OD1-CZ 3.57Å; D614-R643 IonicContact OD1-NE 3.54Å; D614-R643 PolarHBondContact OD1-NE 2.94Å; D614-R643 IonicContact OD1-NH2 3.61Å; D614-R643 IonicContact OD2-CZ 3.56Å; D614-R643 IonicContact OD2-NE 3.81Å; D614-R643 IonicContact OD2-NH2 2.83Å; D614-R643 PolarHBondContact OD2-NH2 3.02Å
615	G	78.7	Confident	81.2	Confident	56 Å²	56	44 Å²	44	58%	0.577	25%	0.246	S	C	*	.	H	α-helix	trans	-72.7	-15.5	178.9	0	0	0	0	0	115.3	T611 E612 T617	T611-G615 PolarHBondContact O-N 3.15Å; E612-G615 PolarHBondContact O-N 3.42Å; G615-T617 PolarHBondContact O-N 3.23Å
616	M	75.8	Confident	81.7	Confident	11 Å²	11	44 Å²	44	5%	0.054	25%	0.246	C	C	.	.			trans	-65.9	108.2	176	-85	178.2	58.9	0	0	111.3	R517 F568 E612 D614 V622 I624	R517-M616 PolarHBondContact NH1-O 3.27Å; R517-M616 PolarHBondContact NH2-O 3.16Å; F568-M616 HydrophobicContact CD1-CG 4.37Å; F568-M616 HydrophobicContact CD1-SD 3.55Å; F568-M616 VanDerWaalsContact CD1-SD 3.55Å; F568-M616 HydrophobicContact CE1-SD 3.58Å; F568-M616 VanDerWaalsContact CE1-SD 3.58Å; E612-M616 VanDerWaalsContact O-CG 3.3Å; E612-M616 WeakPolarHBondContact O-CG 3.36Å; E612-M616 PolarHBondContact O-N 3.08Å; D614-M616 VanDerWaalsContact C-N 3.32Å; D614-M616 PolarHBondContact O-N 2.84Å; M616-V622 HydrophobicContact CE-CB 3.47Å; M616-V622 VanDerWaalsContact CE-CB 3.47Å; M616-V622 HydrophobicContact CE-CG1 3.66Å; M616-V622 WeakPolarHBondContact CE-O 3.38Å; M616-I624 HydrophobicContact CE-CD1 4.32Å; M616-I624 HydrophobicContact CE-CG1 4.45Å; M616-I624 HydrophobicContact SD-CD1 3.83Å; M616-I624 HydrophobicContact SD-CG1 4.46Å
617	T	65.2	Low	82.3	Confident	85 Å²	85	43.8 Å²	43.8	52%	0.521	25%	0.245	S	C	.	.			trans	-66.3	136.4	171.6	57.5	0	0	0	0	110.1	G615 K619 K620	G615-T617 PolarHBondContact O-N 3.23Å; T617-K619 PolarHBondContact O-N 2.74Å; T617-K620 PolarHBondContact O-N 3.4Å
618	S	59.3	Low	82.6	Confident	84 Å²	84	40.6 Å²	40.6	59%	0.587	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-7.3	178.7	52.5	0	0	0	0	115.5
619	K	59.2	Low	82.8	Confident	189 Å²	189	42 Å²	42	82%	0.822	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.2	179	-67.5	-172.6	177.9	-178	0	114.1	T617	T617-K619 PolarHBondContact O-N 2.74Å
620	K	61.8	Low	82.7	Confident	84 Å²	84	46.8 Å²	46.8	37%	0.365	25%	0.253	S	S	.	.	S	Bend	trans	-97.5	123.6	176.7	-66.6	-162.6	174.8	-164.8	0	108.5	R572 T617 V622	R572-K620 HydrophobicContact CB-CD 3.83Å; R572-K620 HydrophobicContact CG-CD 3.84Å; T617-K620 PolarHBondContact O-N 3.4Å; K620-V622 PolarHBondContact O-N 3.4Å
621	N	76.1	Confident	82.7	Confident	87 Å²	87	46.7 Å²	46.7	47%	0.465	25%	0.253	S	S	.	.			trans	-72.9	62.9	-177.9	-67.9	-4.9	0	0	0	111.5	P576 C577	P576-N621 VanDerWaalsContact CA-O 3.31Å; P576-N621 WeakPolarHBondContact CA-O 3.33Å; P576-N621 HydrophobicContact CB-CB 4.14Å; C577-N621 PolarHBondContact N-O 3.36Å
622	V	87	Confident	82.5	Confident	13 Å²	13	48 Å²	48	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118	175.3	-179.8	0	0	0	0	108.4	A571 R572 A575 C577 L579 M616 K620	A571-V622 HydrophobicContact CB-CG1 3.93Å; A571-V622 VanDerWaalsContact O-CG2 3.27Å; A571-V622 WeakPolarHBondContact O-CG2 3.44Å; R572-V622 HydrophobicContact CG-CG2 4.33Å; A575-V622 HydrophobicContact CB-CG2 4.05Å; C577-V622 HydrophobicContact CB-CG2 4.45Å; C577-V622 CarbonylContact O-C 3.52Å; C577-V622 VanDerWaalsContact O-CA 3.27Å; C577-V622 WeakPolarHBondContact O-CA 3.45Å; L579-V622 HydrophobicContact CB-CG1 4.33Å; M616-V622 HydrophobicContact CE-CB 3.47Å; M616-V622 VanDerWaalsContact CE-CB 3.47Å; M616-V622 HydrophobicContact CE-CG1 3.66Å; M616-V622 WeakPolarHBondContact CE-O 3.38Å; K620-V622 PolarHBondContact O-N 3.4Å
623	F	90.1	Very high	82.4	Confident	21 Å²	21	48.5 Å²	48.5	9%	0.092	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131	-179.4	-168	-95.5	0	0	0	110.1	L497 V498 S516 V519 C577 V578 L579 I625	L497-F623 HydrophobicContact CB-CZ 4.47Å; V498-F623 HydrophobicContact CG1-CB 4.45Å; V498-F623 HydrophobicContact CG1-CD1 4.41Å; V498-F623 HydrophobicContact CG1-CD2 4.49Å; V498-F623 HydrophobicContact CG1-CG 4.2Å; V498-F623 HydrophobicContact CG2-CD1 3.64Å; V498-F623 HydrophobicContact CG2-CD2 4.14Å; V498-F623 HydrophobicContact CG2-CE1 3.37Å; V498-F623 HydrophobicContact CG2-CE2 3.89Å; V498-F623 HydrophobicContact CG2-CG 4.02Å; V498-F623 HydrophobicContact CG2-CZ 3.49Å; V498-F623 VanDerWaalsContact CG2-CZ 3.49Å; S516-F623 WeakPolarHBondContact O-CE2 3.33Å; V519-F623 HydrophobicContact CB-CE1 4.3Å; V519-F623 HydrophobicContact CB-CZ 4.45Å; V519-F623 HydrophobicContact CG2-CE1 3.88Å; V519-F623 HydrophobicContact CG2-CZ 3.61Å; C577-F623 PolarHBondContact O-N 3.13Å; V578-F623 CarbonylContact C-O 3.49Å; V578-F623 WeakPolarHBondContact CA-O 3.47Å; L579-F623 PolarHBondContact N-O 2.88Å; F623-I625 HydrophobicContact CD1-CD1 4.15Å; F623-I625 HydrophobicContact CD1-CG1 3.7Å; F623-I625 HydrophobicContact CE1-CD1 4.18Å; F623-I625 HydrophobicContact CE1-CG1 3.71Å
624	I	92.9	Very high	82.3	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.9	-173.8	-51	177	0	0	0	110	R517 G518 V519 F568 L579 F581 M613 M616 L644	R517-I624 PolarHBondContact O-N 2.98Å; R517-I624 VanDerWaalsContact O-N 3.13Å; G518-I624 CarbonylContact C-O 3.38Å; G518-I624 WeakPolarHBondContact CA-O 3.43Å; V519-I624 PolarHBondContact N-O 2.95Å; F568-I624 HydrophobicContact CE1-CD1 3.82Å; F568-I624 HydrophobicContact CZ-CD1 4.33Å; L579-I624 WeakPolarHBondContact O-CA 3.32Å; F581-I624 HydrophobicContact CD2-CG2 3.88Å; F581-I624 HydrophobicContact CE2-CG2 3.87Å; M613-I624 HydrophobicContact CB-CD1 4.44Å; M613-I624 HydrophobicContact CE-CD1 4.08Å; M613-I624 HydrophobicContact CG-CD1 3.64Å; M616-I624 HydrophobicContact CE-CD1 4.32Å; M616-I624 HydrophobicContact CE-CG1 4.45Å; M616-I624 HydrophobicContact SD-CD1 3.83Å; M616-I624 HydrophobicContact SD-CG1 4.46Å; I624-L644 HydrophobicContact CB-CD2 4.15Å; I624-L644 HydrophobicContact CG2-CD2 3.83Å
625	I	94.4	Very high	82.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.1	174.3	-58.9	-178.9	0	0	0	108.6	V519 F521 A533 I536 V578 L579 F580 F581 F623	V519-I625 CarbonylContact O-C 3.57Å; V519-I625 WeakPolarHBondContact O-CA 3.38Å; F521-I625 HydrophobicContact CD2-CG2 3.52Å; F521-I625 HydrophobicContact CE2-CD1 4.43Å; F521-I625 HydrophobicContact CE2-CG2 3.37Å; F521-I625 HydrophobicContact CG-CG2 4.25Å; F521-I625 HydrophobicContact CZ-CD1 4.47Å; F521-I625 HydrophobicContact CZ-CG2 3.98Å; A533-I625 HydrophobicContact CB-CD1 4.21Å; A533-I625 HydrophobicContact CB-CG2 4.31Å; I536-I625 HydrophobicContact CG2-CD1 3.88Å; V578-I625 HydrophobicContact CG1-CD1 3.62Å; V578-I625 HydrophobicContact CG1-CG1 3.97Å; L579-I625 PolarHBondContact O-N 3.21Å; F580-I625 CarbonylContact C-O 3.58Å; F580-I625 VanDerWaalsContact CA-O 3.24Å; F580-I625 WeakPolarHBondContact CA-O 3.43Å; F580-I625 HydrophobicContact CD2-CB 3.87Å; F580-I625 HydrophobicContact CD2-CG2 3.63Å; F580-I625 WeakPolarHBondContact CD2-O 3.47Å; F580-I625 HydrophobicContact CE2-CG2 3.87Å; F581-I625 PolarHBondContact N-O 3.43Å; F623-I625 HydrophobicContact CD1-CD1 4.15Å; F623-I625 HydrophobicContact CD1-CG1 3.7Å; F623-I625 HydrophobicContact CE1-CD1 4.18Å; F623-I625 HydrophobicContact CE1-CG1 3.71Å
626	G	94	Very high	82.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	146.5	167.2	0	0	0	0	0	111	V519 L520 F521 F581	V519-G626 PolarHBondContact O-N 2.94Å; L520-G626 CarbonylContact C-O 3.48Å; L520-G626 WeakPolarHBondContact CA-O 3.47Å; F521-G626 PolarHBondContact N-O 3.26Å; F581-G626 CarbonylContact O-C 3.47Å
627	A	94.5	Very high	83.1	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.4	167.5	0	0	0	0	0	111.4	F521 K529 F580 F581 E583 L584	F521-A627 HydrophobicContact CB-CB 4.27Å; F521-A627 WeakPolarHBondContact O-CA 3.5Å; K529-A627 HydrophobicContact CB-CB 4.24Å; K529-A627 HydrophobicContact CD-CB 4.42Å; F580-A627 HydrophobicContact CE2-CB 3.59Å; F580-A627 HydrophobicContact CZ-CB 3.53Å; F581-A627 PolarHBondContact O-N 2.56Å; E583-A627 PolarHBondContact N-O 3.24Å; L584-A627 WeakPolarHBondContact CB-O 3.3Å; L584-A627 PolarHBondContact N-O 3.09Å
628	T	92.3	Very high	84.2	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.9	176.2	176.9	0	0	0	0	111.7	L520 F521 Y522 K529 D585 R630 P631 I634	L520-T628 HydrophobicContact CD1-CG2 4.07Å; L520-T628 HydrophobicContact CD2-CG2 4.26Å; L520-T628 HydrophobicContact CG-CG2 4.25Å; F521-T628 PolarHBondContact O-N 2.79Å; Y522-T628 WeakPolarHBondContact CA-O 3.47Å; K529-T628 PolarHBondContact NZ-O 3.33Å; D585-T628 WeakPolarHBondContact CB-OG1 3.47Å; T628-R630 PolarHBondContact OG1-N 3.31Å; T628-R630 PolarHBondContact OG1-O 3.45Å; T628-R630 VanDerWaalsContact OG1-O 3.13Å; T628-P631 HydrophobicContact CG2-CB 4.03Å; T628-I634 HydrophobicContact CG2-CD1 4.34Å; T628-I634 HydrophobicContact CG2-CG1 4.1Å
629	N	90.9	Very high	85.5	Confident	43 Å²	43	41.8 Å²	41.8	23%	0.23	21%	0.209	C	C	.	.	S	Bend	trans	-93.7	-8.9	167.8	-65.6	-40.7	0	0	0	112.2	P525 K529 Y764	P525-N629 WeakPolarHBondContact CA-OD1 3.48Å; K529-N629 WeakPolarHBondContact CE-OD1 3.41Å; K529-N629 PolarHBondContact NZ-OD1 3.28Å; N629-Y764 WeakPolarHBondContact O-CE1 3.31Å; N629-Y764 VanDerWaalsContact O-CZ 3.31Å; N629-Y764 PolarHBondContact O-OH 2.75Å
630	R	86.9	Confident	86.9	Confident	110 Å²	110	40.2 Å²	40.2	42%	0.415	20%	0.197	S	C	.	.			trans	-135.1	79.6	-178.9	-67.4	-164	-64.4	-171.8	-0.5	109.9	D585 T628 D632 I633	D585-R630 HydrophobicContact CB-CB 4.14Å; D585-R630 IonicContact OD2-CZ 2.8Å; D585-R630 IonicContact OD2-NE 3.41Å; D585-R630 PolarHBondContact OD2-NE 3.42Å; D585-R630 IonicContact OD2-NH2 3.56Å; D585-R630 PolarHBondContact OD2-NH2 3.18Å; T628-R630 PolarHBondContact OG1-N 3.31Å; T628-R630 PolarHBondContact OG1-O 3.45Å; T628-R630 VanDerWaalsContact OG1-O 3.13Å; R630-D632 VanDerWaalsContact C-OD1 3.22Å; R630-D632 WeakPolarHBondContact CA-OD1 3.47Å; R630-D632 WeakPolarHBondContact CB-OD1 3.37Å; R630-D632 PolarHBondContact O-N 3.03Å; R630-I633 HydrophobicContact CB-CD1 3.95Å; R630-I633 HydrophobicContact CB-CG1 3.86Å; R630-I633 VanDerWaalsContact CZ-CD1 3.48Å; R630-I633 VanDerWaalsContact NE-CD1 3.34Å; R630-I633 WeakPolarHBondContact O-CG1 3.45Å; R630-I633 PolarHBondContact O-N 3.13Å
631	P	87.6	Confident	87.9	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.052	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-71.9	-18.7	-177.1	33.9	-38.8	0	0	0	112.7	Y522 T628 I633 I634 F767	Y522-P631 HydrophobicContact CD2-CB 4.35Å; Y522-P631 HydrophobicContact CD2-CG 4Å; Y522-P631 HydrophobicContact CG-CB 4.28Å; Y522-P631 HydrophobicContact CG-CG 4.39Å; T628-P631 HydrophobicContact CG2-CB 4.03Å; P631-I633 VanDerWaalsContact C-N 3.26Å; P631-I633 PolarHBondContact O-N 3.39Å; P631-I634 PolarHBondContact O-N 2.79Å; P631-F767 HydrophobicContact CB-CD1 3.9Å; P631-F767 HydrophobicContact CB-CE1 3.38Å; P631-F767 HydrophobicContact CB-CE2 4.2Å; P631-F767 HydrophobicContact CB-CZ 3.57Å; P631-F767 HydrophobicContact CG-CD1 3.59Å; P631-F767 HydrophobicContact CG-CD2 4.33Å; P631-F767 HydrophobicContact CG-CE1 3.64Å; P631-F767 HydrophobicContact CG-CE2 4.39Å; P631-F767 HydrophobicContact CG-CG 3.95Å; P631-F767 HydrophobicContact CG-CZ 4.08Å
632	D	85	Confident	88.2	Confident	108 Å²	108	39 Å²	39	58%	0.578	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-63.6	-25.6	176.5	57.2	-52.1	0	0	0	114	R630	R630-D632 VanDerWaalsContact C-OD1 3.22Å; R630-D632 WeakPolarHBondContact CA-OD1 3.47Å; R630-D632 WeakPolarHBondContact CB-OD1 3.37Å; R630-D632 PolarHBondContact O-N 3.03Å
633	I	85.4	Confident	88.3	Confident	33 Å²	33	40 Å²	40	17%	0.169	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-103.9	4.3	-179.7	68.3	179	0	0	0	113.6	D585 K589 S590 R630 P631	D585-I633 HydrophobicContact CB-CD1 3.99Å; D585-I633 HydrophobicContact CB-CG1 4Å; K589-I633 CarbonylContact C-O 3.57Å; K589-I633 VanDerWaalsContact CA-O 3.28Å; K589-I633 WeakPolarHBondContact CA-O 3.35Å; K589-I633 HydrophobicContact CG-CD1 4.07Å; S590-I633 PolarHBondContact N-O 2.82Å; R630-I633 HydrophobicContact CB-CD1 3.95Å; R630-I633 HydrophobicContact CB-CG1 3.86Å; R630-I633 VanDerWaalsContact CZ-CD1 3.48Å; R630-I633 VanDerWaalsContact NE-CD1 3.34Å; R630-I633 WeakPolarHBondContact O-CG1 3.45Å; R630-I633 PolarHBondContact O-N 3.13Å; P631-I633 VanDerWaalsContact C-N 3.26Å; P631-I633 PolarHBondContact O-N 3.39Å
634	I	85.7	Confident	88.3	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.036	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-74.2	136.8	-179	-64.7	-65.5	0	0	0	110.7	L584 D585 A588 T628 P631 P636 I638 L639	L584-I634 HydrophobicContact CD2-CD1 3.66Å; D585-I634 HydrophobicContact CB-CD1 4.03Å; A588-I634 HydrophobicContact CB-CD1 4.14Å; A588-I634 WeakPolarHBondContact O-CA 3.17Å; T628-I634 HydrophobicContact CG2-CD1 4.34Å; T628-I634 HydrophobicContact CG2-CG1 4.1Å; P631-I634 PolarHBondContact O-N 2.79Å; I634-P636 VanDerWaalsContact O-CD 3.26Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å; I634-P636 VanDerWaalsContact O-N 3.17Å; I634-I638 HydrophobicContact CG2-CB 4.44Å; I634-I638 HydrophobicContact CG2-CD1 4.44Å; I634-L639 HydrophobicContact CG2-CD2 4.31Å; I634-L639 HydrophobicContact CG2-CG 4.5Å
635	D	84.4	Confident	88	Confident	20 Å²	20	40.3 Å²	40.3	11%	0.107	21%	0.213	C	C	.	.			trans	-55.9	117.6	171.8	-170.6	-28.8	0	0	0	110.6	A588 A637 I638	A588-D635 PolarHBondContact O-N 3.1Å; A588-D635 VanDerWaalsContact O-N 3.08Å; D635-A637 PolarHBondContact O-N 3.42Å; D635-A637 WeakPolarHBondContact OD1-CB 3.5Å; D635-A637 PolarHBondContact OD1-N 2.95Å; D635-I638 HydrophobicContact CB-CD1 4.37Å; D635-I638 HydrophobicContact CB-CG1 4.39Å; D635-I638 WeakPolarHBondContact O-CB 3.37Å; D635-I638 PolarHBondContact O-N 2.93Å
636	P	85.7	Confident	87.8	Confident	88 Å²	88	42.7 Å²	42.7	57%	0.571	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20	178.8	-24.9	34.5	0	0	0	114.1	I634 I638 L639	I634-P636 VanDerWaalsContact O-CD 3.26Å; I634-P636 WeakPolarHBondContact O-CD 3.47Å; I634-P636 VanDerWaalsContact O-N 3.17Å; P636-I638 PolarHBondContact O-N 3.17Å; P636-L639 PolarHBondContact O-N 3.43Å
637	A	87.2	Confident	87.6	Confident	15 Å²	15	43.9 Å²	43.9	12%	0.124	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.9	174.1	0	0	0	0	0	112.2	L610 D635 L639 R643	L610-A637 HydrophobicContact CD1-CB 3.88Å; D635-A637 PolarHBondContact O-N 3.42Å; D635-A637 WeakPolarHBondContact OD1-CB 3.5Å; D635-A637 PolarHBondContact OD1-N 2.95Å; A637-L639 VanDerWaalsContact C-N 3.28Å; A637-L639 PolarHBondContact O-N 2.63Å; A637-R643 WeakPolarHBondContact O-CD 3.44Å; A637-R643 PolarHBondContact O-NH1 3.29Å
638	I	87.8	Confident	87.5	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.5	-179.3	-60.7	178.1	0	0	0	111.5	L584 A588 I606 L610 I634 D635 P636 R640 R643 L644	L584-I638 HydrophobicContact CD2-CD1 3.74Å; A588-I638 HydrophobicContact CB-CD1 3.71Å; I606-I638 HydrophobicContact CD1-CD1 4.25Å; I606-I638 HydrophobicContact CG2-CD1 4.12Å; I606-I638 HydrophobicContact CG2-CG1 4.33Å; L610-I638 HydrophobicContact CD2-CG1 3.93Å; I634-I638 HydrophobicContact CG2-CB 4.44Å; I634-I638 HydrophobicContact CG2-CD1 4.44Å; D635-I638 HydrophobicContact CB-CD1 4.37Å; D635-I638 HydrophobicContact CB-CG1 4.39Å; D635-I638 WeakPolarHBondContact O-CB 3.37Å; D635-I638 PolarHBondContact O-N 2.93Å; P636-I638 PolarHBondContact O-N 3.17Å; I638-R640 VanDerWaalsContact C-N 3.32Å; I638-R640 PolarHBondContact O-N 3.43Å; I638-R643 VanDerWaalsContact O-CB 3.25Å; I638-R643 WeakPolarHBondContact O-CB 3.24Å; I638-L644 HydrophobicContact CG2-CB 4.16Å; I638-L644 HydrophobicContact CG2-CD1 3.63Å; I638-L644 HydrophobicContact CG2-CG 3.87Å; I638-L644 PolarHBondContact O-N 3.23Å; I638-L644 VanDerWaalsContact O-N 3.1Å
639	L	87.2	Confident	87.6	Confident	43 Å²	43	46.5 Å²	46.5	23%	0.225	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.3	-174.5	-52.3	-178.6	0	0	0	114.1	L520 I634 P636 A637 L647	L520-L639 HydrophobicContact CD2-CD2 3.32Å; I634-L639 HydrophobicContact CG2-CD2 4.31Å; I634-L639 HydrophobicContact CG2-CG 4.5Å; P636-L639 PolarHBondContact O-N 3.43Å; A637-L639 VanDerWaalsContact C-N 3.28Å; A637-L639 PolarHBondContact O-N 2.63Å; L639-L647 HydrophobicContact CD1-CD2 4.28Å; L639-L647 HydrophobicContact CD2-CD2 4.08Å; L639-L647 HydrophobicContact CD2-CG 4.41Å
640	R	87.2	Confident	87.7	Confident	155 Å²	155	44.4 Å²	44.4	59%	0.585	23%	0.229	S	C	*	.	S	Bend	trans	-72.7	151.3	-176	-67.1	-176.8	179.7	-176.7	-0.5	111.8	I638 G642 R643	I638-R640 VanDerWaalsContact C-N 3.32Å; I638-R640 PolarHBondContact O-N 3.43Å; R640-G642 PolarHBondContact O-N 2.87Å; R640-R643 WeakPolarHBondContact O-CB 3.41Å; R640-R643 PolarHBondContact O-N 3.46Å; R640-R643 VanDerWaalsContact O-N 3.09Å
641	P	84.1	Confident	88	Confident	118 Å²	118	41.4 Å²	41.4	77%	0.766	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.7	134.7	174.1	-29.5	36.3	0	0	0	112.9
642	G	82.8	Confident	88.3	Confident	28 Å²	28	42.5 Å²	42.5	29%	0.289	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-4	-176.3	0	0	0	0	0	115.4	R517 R640 D645	R517-G642 WeakPolarHBondContact CD-O 3.48Å; R640-G642 PolarHBondContact O-N 2.87Å; G642-D645 PolarHBondContact N-OD2 3.39Å
643	R	89.2	Confident	88.7	Confident	35 Å²	35	38 Å²	38	13%	0.132	21%	0.206	C	C	.	.	S	Bend	trans	-111.7	-116	177	-62.9	171	175.1	-175.7	-2.7	110.8	G518 M613 D614 A637 I638 R640 D645	G518-R643 PolarHBondContact N-O 3.16Å; M613-R643 VanDerWaalsContact CE-C 3.42Å; M613-R643 HydrophobicContact CE-CB 3.68Å; M613-R643 HydrophobicContact CE-CG 4.4Å; D614-R643 IonicContact OD1-CZ 3.57Å; D614-R643 IonicContact OD1-NE 3.54Å; D614-R643 PolarHBondContact OD1-NE 2.94Å; D614-R643 IonicContact OD1-NH2 3.61Å; D614-R643 IonicContact OD2-CZ 3.56Å; D614-R643 IonicContact OD2-NE 3.81Å; D614-R643 IonicContact OD2-NH2 2.83Å; D614-R643 PolarHBondContact OD2-NH2 3.02Å; A637-R643 WeakPolarHBondContact O-CD 3.44Å; A637-R643 PolarHBondContact O-NH1 3.29Å; I638-R643 VanDerWaalsContact O-CB 3.25Å; I638-R643 WeakPolarHBondContact O-CB 3.24Å; R640-R643 WeakPolarHBondContact O-CB 3.41Å; R640-R643 PolarHBondContact O-N 3.46Å; R640-R643 VanDerWaalsContact O-N 3.09Å; R643-D645 PolarHBondContact O-N 3.13Å
644	L	89.8	Confident	89.1	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-97.1	66.8	169	-56.9	-172.5	0	0	0	109	L520 L584 M613 I624 I638	L520-L644 HydrophobicContact CB-CB 4.08Å; L520-L644 HydrophobicContact CB-CD1 4.21Å; L520-L644 HydrophobicContact CD1-CD1 3.96Å; L584-L644 HydrophobicContact CD1-CD1 4.16Å; M613-L644 HydrophobicContact CE-CD2 3.61Å; M613-L644 HydrophobicContact CE-CG 3.73Å; I624-L644 HydrophobicContact CB-CD2 4.15Å; I624-L644 HydrophobicContact CG2-CD2 3.83Å; I638-L644 HydrophobicContact CG2-CB 4.16Å; I638-L644 HydrophobicContact CG2-CD1 3.63Å; I638-L644 HydrophobicContact CG2-CG 3.87Å; I638-L644 PolarHBondContact O-N 3.23Å; I638-L644 VanDerWaalsContact O-N 3.1Å
645	D	85.5	Confident	89.5	Confident	27 Å²	27	44.5 Å²	44.5	14%	0.144	24%	0.238	C	C	.	.			trans	-84	-14.6	-171.7	58	4	0	0	0	113.6	G642 R643 R775	G642-D645 PolarHBondContact N-OD2 3.39Å; R643-D645 PolarHBondContact O-N 3.13Å; D645-R775 PolarHBondContact O-NH2 3.35Å
646	Q	89.9	Confident	90	Very high	50 Å²	50	51.7 Å²	51.7	23%	0.234	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107.1	172.1	-59.9	-54.3	-27.9	0	0	110.7	L497 G518 V519 L520	L497-Q646 HydrophobicContact CD1-CB 4.03Å; L497-Q646 HydrophobicContact CD1-CG 3.97Å; L497-Q646 HydrophobicContact CD2-CG 3.98Å; G518-Q646 PolarHBondContact O-N 3.06Å; V519-Q646 CarbonylContact C-O 3.6Å; V519-Q646 VanDerWaalsContact CA-O 3.26Å; V519-Q646 WeakPolarHBondContact CA-O 3.43Å; V519-Q646 HydrophobicContact CB-CB 4.4Å; V519-Q646 HydrophobicContact CG2-CB 3.74Å; V519-Q646 HydrophobicContact CG2-CG 4.46Å; L520-Q646 PolarHBondContact N-O 3.09Å
647	L	91.2	Very high	90.4	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.2	177.7	-70.4	87.5	0	0	0	109.4	Y522 L639 L771	Y522-L647 HydrophobicContact CD1-CB 4.4Å; Y522-L647 HydrophobicContact CE1-CB 3.99Å; L639-L647 HydrophobicContact CD1-CD2 4.28Å; L639-L647 HydrophobicContact CD2-CD2 4.08Å; L639-L647 HydrophobicContact CD2-CG 4.41Å; L647-L771 HydrophobicContact CD2-CD1 3.52Å; L647-L771 HydrophobicContact CD2-CD2 3.94Å; L647-L771 HydrophobicContact CD2-CG 4.4Å
648	I	92.3	Very high	90.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.2	-178.2	-64.2	-175.5	0	0	0	109.3	V490 E493 L494 L497 V519 L520 F521 Y522	V490-I648 HydrophobicContact CB-CG2 4.46Å; V490-I648 HydrophobicContact CG1-CG2 3.64Å; V490-I648 HydrophobicContact CG2-CG2 4.12Å; E493-I648 HydrophobicContact CG-CD1 3.99Å; L494-I648 HydrophobicContact CD2-CD1 4.11Å; L494-I648 HydrophobicContact CG-CD1 4.37Å; L497-I648 HydrophobicContact CD1-CD1 4.06Å; V519-I648 HydrophobicContact CG1-CB 4.24Å; V519-I648 HydrophobicContact CG1-CD1 3.69Å; V519-I648 HydrophobicContact CG1-CG1 3.9Å; V519-I648 HydrophobicContact CG2-CD1 4.47Å; L520-I648 PolarHBondContact O-N 3.4Å; F521-I648 HydrophobicContact CD1-CB 3.97Å; F521-I648 HydrophobicContact CD1-CG2 4.15Å; F521-I648 HydrophobicContact CE1-CB 4.23Å; F521-I648 HydrophobicContact CE1-CD1 4.23Å; F521-I648 HydrophobicContact CE1-CG2 4.24Å; Y522-I648 WeakPolarHBondContact CD1-O 3.44Å; Y522-I648 PolarHBondContact N-O 2.81Å
649	Y	93.3	Very high	91.2	Very high	55 Å²	55	49.1 Å²	49.1	22%	0.216	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126.4	175.1	-178.9	-133.8	0	0	0	110.7	Y522 P651 A768	Y522-Y649 AromaticContact CD2-CD2 3.76Å; Y522-Y649 HydrophobicContact CD2-CD2 3.76Å; Y522-Y649 AromaticContact CE2-CD2 3.44Å; Y522-Y649 HydrophobicContact CE2-CD2 3.44Å; Y522-Y649 VanDerWaalsContact CE2-CD2 3.44Å; Y522-Y649 HydrophobicContact CE2-CE2 4.34Å; Y522-Y649 AromaticContact CE2-CG 3.93Å; Y522-Y649 HydrophobicContact CE2-CG 3.93Å; Y649-P651 HydrophobicContact CD1-CB 4.29Å; Y649-P651 HydrophobicContact CE1-CB 3.66Å; Y649-P651 HydrophobicContact CE1-CG 4.49Å; Y649-P651 WeakPolarHBondContact O-CD 3.33Å; Y649-A768 HydrophobicContact CD1-CB 4.5Å; Y649-A768 HydrophobicContact CG-CB 4.48Å
650	I	94.1	Very high	91.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.			trans	-107.5	100.9	174.3	-60.4	168.7	0	0	0	107.8	L487 F521 Y522 P524 C527 K529 L532	L487-I650 HydrophobicContact CD1-CG2 3.92Å; L487-I650 HydrophobicContact CD2-CG2 4.44Å; F521-I650 HydrophobicContact CB-CD1 3.73Å; F521-I650 HydrophobicContact CD1-CD1 3.89Å; F521-I650 HydrophobicContact CD2-CD1 4.22Å; F521-I650 HydrophobicContact CG-CD1 3.7Å; Y522-I650 PolarHBondContact O-N 2.73Å; P524-I650 WeakPolarHBondContact CD-O 3.15Å; C527-I650 HydrophobicContact CB-CG2 3.68Å; C527-I650 WeakPolarHBondContact O-CG2 3.49Å; K529-I650 HydrophobicContact CB-CD1 3.67Å; K529-I650 HydrophobicContact CD-CD1 4.08Å; K529-I650 HydrophobicContact CG-CD1 3.54Å; L532-I650 HydrophobicContact CD1-CD1 3.64Å; L532-I650 HydrophobicContact CD1-CG1 4.08Å
651	P	92.8	Very high	92	Very high	47 Å²	47	42.4 Å²	42.4	31%	0.305	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-75.5	173.4	-177.5	30.7	-35.7	0	0	0	112.9	L487 Y649	L487-P651 HydrophobicContact CD2-CG 4.25Å; Y649-P651 HydrophobicContact CD1-CB 4.29Å; Y649-P651 HydrophobicContact CE1-CB 3.66Å; Y649-P651 HydrophobicContact CE1-CG 4.49Å; Y649-P651 WeakPolarHBondContact O-CD 3.33Å
652	L	93.4	Very high	92.5	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.157	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.7	148.4	161.1	-77.4	172.3	0	0	0	110.4	P524 D654 V756 I761	P524-L652 HydrophobicContact CB-CD2 4.37Å; P524-L652 HydrophobicContact CG-CD2 4.21Å; P524-L652 HydrophobicContact CG-CG 3.9Å; L652-D654 PolarHBondContact O-N 3.46Å; L652-V756 HydrophobicContact CD1-CB 4.33Å; L652-V756 HydrophobicContact CD1-CG1 4.21Å; L652-V756 HydrophobicContact CD2-CB 4.36Å; L652-V756 HydrophobicContact CD2-CG2 4.13Å; L652-I761 HydrophobicContact CD1-CD1 3.31Å; L652-I761 HydrophobicContact CD1-CG1 3.6Å
653	P	94.2	Very high	93	Very high	13 Å²	13	42 Å²	42	8%	0.084	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.6	132.9	-178.2	27.7	-35.4	0	0	0	112.7	R658 I661 F687	P653-R658 HydrophobicContact CB-CG 3.76Å; P653-R658 HydrophobicContact CG-CG 3.73Å; P653-R658 PolarHBondContact O-NH1 3.2Å; P653-I661 HydrophobicContact CB-CD1 3.57Å; P653-I661 HydrophobicContact CG-CD1 3.87Å; P653-F687 WeakPolarHBondContact CD-O 3.32Å; P653-F687 VanDerWaalsContact CG-O 3.24Å; P653-F687 WeakPolarHBondContact CG-O 3.23Å
654	D	93.5	Very high	93.2	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-70.7	172.9	168	76.3	-22.5	0	0	0	111.4	L652 K656 S657 R658	L652-D654 PolarHBondContact O-N 3.46Å; D654-K656 PolarHBondContact O-N 2.94Å; D654-S657 PolarHBondContact O-N 3.49Å; D654-S657 VanDerWaalsContact O-N 3.12Å; D654-S657 WeakPolarHBondContact OD1-CA 3.25Å; D654-S657 WeakPolarHBondContact OD1-CB 3.47Å; D654-S657 PolarHBondContact OD1-N 3.23Å; D654-S657 PolarHBondContact OD1-OG 3.3Å; D654-R658 VanDerWaalsContact O-CG 3.32Å; D654-R658 WeakPolarHBondContact O-CG 3.29Å; D654-R658 PolarHBondContact O-N 3.41Å
655	E	94.6	Very high	93.3	Very high	93 Å²	93	43.4 Å²	43.4	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-55.1	-40.9	-177.4	-174.2	-175.4	151.3	0	0	112.7	R658 A659 K682	E655-R658 PolarHBondContact O-N 3.22Å; E655-A659 PolarHBondContact O-N 3.01Å; E655-A659 VanDerWaalsContact O-N 3.11Å; E655-K682 HydrophobicContact CG-CG 4.17Å; E655-K682 WeakPolarHBondContact OE1-CE 3.35Å; E655-K682 WeakPolarHBondContact OE1-CG 3.44Å
656	K	94.8	Very high	93.7	Very high	171 Å²	171	42.6 Å²	42.6	74%	0.743	22%	0.224	S	C	*	.	H	α-helix	trans	-66	-45.2	177.7	-68.6	-176.6	179.2	178.7	0	111.6	D654 A659 A660	D654-K656 PolarHBondContact O-N 2.94Å; K656-A659 PolarHBondContact O-N 3.13Å; K656-A660 PolarHBondContact O-N 2.99Å
657	S	94.4	Very high	93.6	Very high	15 Å²	15	47.9 Å²	47.9	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-39.2	177	-58.3	0	0	0	0	111.2	G486 D654 A659 A660 I661	G486-S657 WeakPolarHBondContact CA-OG 3.41Å; D654-S657 PolarHBondContact O-N 3.49Å; D654-S657 VanDerWaalsContact O-N 3.12Å; D654-S657 WeakPolarHBondContact OD1-CA 3.25Å; D654-S657 WeakPolarHBondContact OD1-CB 3.47Å; D654-S657 PolarHBondContact OD1-N 3.23Å; D654-S657 PolarHBondContact OD1-OG 3.3Å; S657-A659 PolarHBondContact O-N 2.96Å; S657-A660 CarbonylContact O-C 3.56Å; S657-A660 PolarHBondContact O-N 3.25Å; S657-A660 VanDerWaalsContact O-N 3.16Å; S657-I661 WeakPolarHBondContact O-CB 3.39Å; S657-I661 WeakPolarHBondContact O-CG1 3.28Å; S657-I661 PolarHBondContact O-N 3.01Å
658	R	96.2	Very high	93.4	Very high	17 Å²	17	56.4 Å²	56.4	6%	0.064	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-44.2	175.3	-67.7	-163.7	-61.4	-83.2	1.9	111.7	P653 D654 E655 A660 I661 L662 A681 T684 L692	P653-R658 HydrophobicContact CB-CG 3.76Å; P653-R658 HydrophobicContact CG-CG 3.73Å; P653-R658 PolarHBondContact O-NH1 3.2Å; D654-R658 VanDerWaalsContact O-CG 3.32Å; D654-R658 WeakPolarHBondContact O-CG 3.29Å; D654-R658 PolarHBondContact O-N 3.41Å; E655-R658 PolarHBondContact O-N 3.22Å; R658-A660 VanDerWaalsContact C-N 3.32Å; R658-A660 PolarHBondContact O-N 3.46Å; R658-I661 PolarHBondContact O-N 3.09Å; R658-L662 WeakPolarHBondContact O-CG 3.15Å; R658-L662 PolarHBondContact O-N 3.27Å; R658-A681 HydrophobicContact CB-CB 4Å; R658-A681 VanDerWaalsContact CZ-O 3.25Å; R658-A681 PolarHBondContact NE-O 2.66Å; R658-A681 PolarHBondContact NH2-O 2.75Å; R658-T684 WeakPolarHBondContact CD-O 3.33Å; R658-T684 PolarHBondContact NE-O 3.11Å; R658-L692 HydrophobicContact CB-CD1 3.84Å; R658-L692 HydrophobicContact CG-CD1 3.81Å
659	A	95.2	Very high	93.4	Very high	21 Å²	21	58.3 Å²	58.3	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-39.5	174.8	0	0	0	0	0	112.3	E655 K656 S657 K663 A681	E655-A659 PolarHBondContact O-N 3.01Å; E655-A659 VanDerWaalsContact O-N 3.11Å; K656-A659 PolarHBondContact O-N 3.13Å; S657-A659 PolarHBondContact O-N 2.96Å; A659-K663 WeakPolarHBondContact O-CG 3.25Å; A659-K663 PolarHBondContact O-N 2.93Å; A659-K663 VanDerWaalsContact O-N 3.15Å; A659-A681 HydrophobicContact CB-CB 3.84Å
660	A	94.9	Very high	93.4	Very high	34 Å²	34	59.7 Å²	59.7	28%	0.281	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-40.6	175.9	0	0	0	0	0	112.6	K656 S657 R658 K663 A664	K656-A660 PolarHBondContact O-N 2.99Å; S657-A660 CarbonylContact O-C 3.56Å; S657-A660 PolarHBondContact O-N 3.25Å; S657-A660 VanDerWaalsContact O-N 3.16Å; R658-A660 VanDerWaalsContact C-N 3.32Å; R658-A660 PolarHBondContact O-N 3.46Å; A660-K663 PolarHBondContact O-N 3.3Å; A660-A664 WeakPolarHBondContact O-CB 3.1Å; A660-A664 PolarHBondContact O-N 2.9Å
661	I	95.1	Very high	93.3	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-45.9	176.4	-70.2	163.6	0	0	0	110.4	G485 P653 S657 R658 K663 A664 A665 L692	G485-I661 WeakPolarHBondContact O-CG1 3.5Å; P653-I661 HydrophobicContact CB-CD1 3.57Å; P653-I661 HydrophobicContact CG-CD1 3.87Å; S657-I661 WeakPolarHBondContact O-CB 3.39Å; S657-I661 WeakPolarHBondContact O-CG1 3.28Å; S657-I661 PolarHBondContact O-N 3.01Å; R658-I661 PolarHBondContact O-N 3.09Å; I661-K663 VanDerWaalsContact C-N 3.33Å; I661-K663 PolarHBondContact O-N 3.32Å; I661-A664 PolarHBondContact O-N 3.14Å; I661-A665 WeakPolarHBondContact O-CB 3.17Å; I661-A665 PolarHBondContact O-N 2.72Å; I661-L692 HydrophobicContact CB-CD1 3.96Å; I661-L692 HydrophobicContact CD1-CD1 4.19Å; I661-L692 HydrophobicContact CG2-CB 4.03Å; I661-L692 HydrophobicContact CG2-CD1 3.76Å
662	L	95.2	Very high	93.4	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-43.1	176.4	-71.2	170.3	0	0	0	111.7	R658 A665 L666 L677 L680 A681 L692 C696	R658-L662 WeakPolarHBondContact O-CG 3.15Å; R658-L662 PolarHBondContact O-N 3.27Å; L662-A665 PolarHBondContact O-N 2.65Å; L662-L666 WeakPolarHBondContact O-CB 3.02Å; L662-L666 WeakPolarHBondContact O-CG 3.03Å; L662-L666 PolarHBondContact O-N 3.41Å; L662-L677 HydrophobicContact CB-CD2 4.37Å; L662-L680 HydrophobicContact CD1-CB 3.77Å; L662-A681 HydrophobicContact CD1-CB 4.32Å; L662-L692 HydrophobicContact CD2-CB 4.28Å; L662-L692 HydrophobicContact CD2-CD2 4.25Å; L662-L692 HydrophobicContact CG-CD2 4.5Å; L662-C696 VanDerWaalsContact CD2-SG 3.59Å
663	K	94.3	Very high	93.3	Very high	134 Å²	134	68.6 Å²	68.6	58%	0.583	34%	0.342	S	S	*	.	H	α-helix	trans	-62.9	-43.3	175.1	-74.9	178.2	-179.5	-176.4	0	112.4	A659 A660 I661 R667 L677	A659-K663 WeakPolarHBondContact O-CG 3.25Å; A659-K663 PolarHBondContact O-N 2.93Å; A659-K663 VanDerWaalsContact O-N 3.15Å; A660-K663 PolarHBondContact O-N 3.3Å; I661-K663 VanDerWaalsContact C-N 3.33Å; I661-K663 PolarHBondContact O-N 3.32Å; K663-R667 PolarHBondContact O-N 2.96Å; K663-R667 VanDerWaalsContact O-N 3.07Å; K663-L677 HydrophobicContact CG-CD1 3.68Å
664	A	92.4	Very high	93.1	Very high	24 Å²	24	72.5 Å²	72.5	20%	0.198	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-45.9	178.2	0	0	0	0	0	111.2	A660 I661 L666 R667	A660-A664 WeakPolarHBondContact O-CB 3.1Å; A660-A664 PolarHBondContact O-N 2.9Å; I661-A664 PolarHBondContact O-N 3.14Å; A664-L666 VanDerWaalsContact C-N 3.32Å; A664-L666 PolarHBondContact O-N 3.36Å; A664-R667 WeakPolarHBondContact O-CB 3.48Å; A664-R667 PolarHBondContact O-N 2.98Å
665	A	92.1	Very high	93.1	Very high	43 Å²	43	69.3 Å²	69.3	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-33.9	179.6	0	0	0	0	0	113.3	I661 L662	I661-A665 WeakPolarHBondContact O-CB 3.17Å; I661-A665 PolarHBondContact O-N 2.72Å; L662-A665 PolarHBondContact O-N 2.65Å
666	L	93	Very high	93	Very high	10 Å²	10	69 Å²	69	5%	0.052	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5	-177.7	-63.7	169.6	0	0	0	113.7	L662 A664 K668 T669 L671 L677 C696 L740 F745	L662-L666 WeakPolarHBondContact O-CB 3.02Å; L662-L666 WeakPolarHBondContact O-CG 3.03Å; L662-L666 PolarHBondContact O-N 3.41Å; A664-L666 VanDerWaalsContact C-N 3.32Å; A664-L666 PolarHBondContact O-N 3.36Å; L666-K668 PolarHBondContact O-N 3.42Å; L666-K668 VanDerWaalsContact O-N 3.11Å; L666-T669 HydrophobicContact CD2-CG2 4.43Å; L666-T669 PolarHBondContact O-N 3.26Å; L666-L671 HydrophobicContact CD1-CD1 4.19Å; L666-L677 HydrophobicContact CD1-CD2 3.7Å; L666-C696 HydrophobicContact CD2-CB 3.95Å; L666-C696 HydrophobicContact CG-CB 4.41Å; L666-L740 HydrophobicContact CD2-CD2 3.96Å; L666-F745 HydrophobicContact CD1-CE1 4.31Å; L666-F745 HydrophobicContact CD1-CZ 3.7Å; L666-F745 HydrophobicContact CD2-CZ 4.16Å
667	R	89.7	Confident	93	Very high	161 Å²	161	61.8 Å²	61.8	61%	0.608	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.7	-174.1	-176	178.2	176.9	-169.6	0.3	113.8	K663 A664	K663-R667 PolarHBondContact O-N 2.96Å; K663-R667 VanDerWaalsContact O-N 3.07Å; A664-R667 WeakPolarHBondContact O-CB 3.48Å; A664-R667 PolarHBondContact O-N 2.98Å
668	K	87	Confident	92.9	Very high	203 Å²	203	64.5 Å²	64.5	88%	0.883	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	6.4	-179.9	-62.1	-177.6	-179.4	179.2	0	113	L666	L666-K668 PolarHBondContact O-N 3.42Å; L666-K668 VanDerWaalsContact O-N 3.11Å
669	T	91.6	Very high	92.8	Very high	43 Å²	43	69 Å²	69	26%	0.264	35%	0.353	S	S	.	.	S	Bend	trans	-109.6	128.8	-174.7	-54.6	0	0	0	0	109.7	L666 L671 L740	L666-T669 HydrophobicContact CD2-CG2 4.43Å; L666-T669 PolarHBondContact O-N 3.26Å; T669-L671 PolarHBondContact O-N 2.85Å; T669-L671 VanDerWaalsContact O-N 3.13Å; T669-L740 HydrophobicContact CG2-CB 4.2Å; T669-L740 HydrophobicContact CG2-CD2 4.05Å
670	P	92.7	Very high	92.8	Very high	83 Å²	83	68.7 Å²	68.7	54%	0.539	35%	0.349	S	S	.	.			trans	-64.9	114.8	173.6	27	-32.5	0	0	0	109	P738 L740	P670-P738 WeakPolarHBondContact CB-O 3.32Å; P670-P738 WeakPolarHBondContact CG-O 3.04Å; P670-L740 WeakPolarHBondContact O-CB 3.24Å; P670-L740 PolarHBondContact O-N 3.32Å
671	L	93.2	Very high	92.8	Very high	53 Å²	53	67 Å²	67	28%	0.277	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-108.4	130.4	-174.4	-167.7	71.6	0	0	0	110.1	L666 T669 V675 L677 L740 F745	L666-L671 HydrophobicContact CD1-CD1 4.19Å; T669-L671 PolarHBondContact O-N 2.85Å; T669-L671 VanDerWaalsContact O-N 3.13Å; L671-V675 HydrophobicContact CD1-CB 3.98Å; L671-V675 HydrophobicContact CD1-CG1 3.97Å; L671-V675 HydrophobicContact CD1-CG2 3.94Å; L671-V675 HydrophobicContact CD2-CB 4.12Å; L671-V675 HydrophobicContact CD2-CG1 4.23Å; L671-V675 HydrophobicContact CG-CB 3.94Å; L671-V675 HydrophobicContact CG-CG1 4.32Å; L671-V675 HydrophobicContact CG-CG2 4.17Å; L671-L677 HydrophobicContact CD2-CD1 4.18Å; L671-L677 HydrophobicContact CD2-CD2 4.12Å; L671-L677 HydrophobicContact CD2-CG 4.2Å; L671-L740 HydrophobicContact CD1-CB 4.23Å; L671-L740 HydrophobicContact CD1-CD2 4.17Å; L671-L740 HydrophobicContact CD1-CG 4.41Å; L671-F745 HydrophobicContact CD1-CE2 3.8Å; L671-F745 HydrophobicContact CD1-CZ 4.21Å
672	A	93.1	Very high	92.8	Very high	6 Å²	6	71 Å²	71	5%	0.05	35%	0.352	C	S	.	.			trans	-66.7	144.6	176.3	0	0	0	0	0	111.2	D674 V675 E739 L740 R741	A672-D674 WeakPolarHBondContact CB-OD1 3.32Å; A672-D674 PolarHBondContact O-N 2.97Å; A672-D674 VanDerWaalsContact O-N 3.1Å; A672-V675 HydrophobicContact CB-CG2 4.32Å; A672-V675 PolarHBondContact O-N 3.3Å; A672-V675 VanDerWaalsContact O-N 3.12Å; A672-E739 VanDerWaalsContact CA-OE2 3.31Å; A672-E739 WeakPolarHBondContact CA-OE2 3.45Å; A672-E739 HydrophobicContact CB-CB 4.03Å; A672-L740 WeakPolarHBondContact CB-O 3.4Å; A672-L740 PolarHBondContact N-O 3.02Å; A672-R741 HydrophobicContact CB-CG 4.27Å
673	K	91.5	Very high	92.7	Very high	206 Å²	206	76 Å²	76	90%	0.896	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19	-175.2	-66	-178.5	-177.1	174.1	0	113.9	V675	K673-V675 VanDerWaalsContact C-N 3.35Å
674	D	91.6	Very high	92.6	Very high	94 Å²	94	69.7 Å²	69.7	50%	0.503	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3	179.8	69.3	-33.1	0	0	0	113.8	A672 D676 K742	A672-D674 WeakPolarHBondContact CB-OD1 3.32Å; A672-D674 PolarHBondContact O-N 2.97Å; A672-D674 VanDerWaalsContact O-N 3.1Å; D674-D676 PolarHBondContact O-N 3.3Å; D674-K742 WeakPolarHBondContact OD2-CB 3.39Å
675	V	92.6	Very high	92.6	Very high	18 Å²	18	74.3 Å²	74.3	11%	0.109	37%	0.369	C	S	.	.			trans	-81.4	112.2	176.7	-176.8	0	0	0	0	111.4	L671 A672 K673 L677 L680 L740 K742 F745	L671-V675 HydrophobicContact CD1-CB 3.98Å; L671-V675 HydrophobicContact CD1-CG1 3.97Å; L671-V675 HydrophobicContact CD1-CG2 3.94Å; L671-V675 HydrophobicContact CD2-CB 4.12Å; L671-V675 HydrophobicContact CD2-CG1 4.23Å; L671-V675 HydrophobicContact CG-CB 3.94Å; L671-V675 HydrophobicContact CG-CG1 4.32Å; L671-V675 HydrophobicContact CG-CG2 4.17Å; A672-V675 HydrophobicContact CB-CG2 4.32Å; A672-V675 PolarHBondContact O-N 3.3Å; A672-V675 VanDerWaalsContact O-N 3.12Å; K673-V675 VanDerWaalsContact C-N 3.35Å; V675-L677 HydrophobicContact CG1-CD2 4.01Å; V675-L677 PolarHBondContact O-N 3.08Å; V675-L680 HydrophobicContact CG1-CD1 4.45Å; V675-L740 WeakPolarHBondContact CG2-O 3.2Å; V675-K742 HydrophobicContact CG2-CB 4.4Å; V675-F745 HydrophobicContact CG1-CD2 3.78Å; V675-F745 HydrophobicContact CG1-CE2 3.71Å; V675-F745 HydrophobicContact CG1-CZ 4.49Å; V675-F745 HydrophobicContact CG2-CD2 4.17Å; V675-F745 HydrophobicContact CG2-CE2 4.2Å
676	D	93.2	Very high	92.6	Very high	88 Å²	88	72.8 Å²	72.8	47%	0.471	36%	0.358	S	S	.	.			trans	-91.1	93.4	177.9	-172.8	-14.8	0	0	0	111.8	D674 P678 F679 L680	D674-D676 PolarHBondContact O-N 3.3Å; D676-P678 WeakPolarHBondContact OD1-CB 3.46Å; D676-P678 WeakPolarHBondContact OD1-CD 3.46Å; D676-F679 HydrophobicContact CB-CB 3.83Å; D676-F679 PolarHBondContact O-N 2.62Å; D676-F679 PolarHBondContact OD1-N 3.39Å; D676-F679 WeakPolarHBondContact OD2-CB 3.38Å; D676-L680 PolarHBondContact O-N 2.97Å; D676-L680 VanDerWaalsContact O-N 3.15Å
677	L	93.7	Very high	92.6	Very high	19 Å²	19	73.1 Å²	73.1	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-42.4	176	-56.5	-178.7	0	0	0	113.4	L662 K663 L666 L671 V675 F679 L680 A681	L662-L677 HydrophobicContact CB-CD2 4.37Å; K663-L677 HydrophobicContact CG-CD1 3.68Å; L666-L677 HydrophobicContact CD1-CD2 3.7Å; L671-L677 HydrophobicContact CD2-CD1 4.18Å; L671-L677 HydrophobicContact CD2-CD2 4.12Å; L671-L677 HydrophobicContact CD2-CG 4.2Å; V675-L677 HydrophobicContact CG1-CD2 4.01Å; V675-L677 PolarHBondContact O-N 3.08Å; L677-F679 VanDerWaalsContact C-N 3.28Å; L677-F679 PolarHBondContact O-N 3.45Å; L677-L680 HydrophobicContact CD2-CD1 4.27Å; L677-L680 PolarHBondContact O-N 3.12Å; L677-A681 WeakPolarHBondContact O-CB 3.38Å; L677-A681 PolarHBondContact O-N 3.12Å
678	P	93.8	Very high	92.9	Very high	71 Å²	71	65.5 Å²	65.5	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-53.7	-39.9	170.1	-28.1	32.6	0	0	0	114.4	D676 A681 K682	D676-P678 WeakPolarHBondContact OD1-CB 3.46Å; D676-P678 WeakPolarHBondContact OD1-CD 3.46Å; P678-A681 PolarHBondContact O-N 3.37Å; P678-K682 WeakPolarHBondContact O-CG 3.47Å; P678-K682 PolarHBondContact O-N 3.5Å; P678-K682 VanDerWaalsContact O-N 3.07Å
679	F	94.1	Very high	93.2	Very high	111 Å²	111	56.4 Å²	56.4	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-46.1	175.7	177.8	-100.9	0	0	0	112	D676 L677 A681 K682 M683	D676-F679 HydrophobicContact CB-CB 3.83Å; D676-F679 PolarHBondContact O-N 2.62Å; D676-F679 PolarHBondContact OD1-N 3.39Å; D676-F679 WeakPolarHBondContact OD2-CB 3.38Å; L677-F679 VanDerWaalsContact C-N 3.28Å; L677-F679 PolarHBondContact O-N 3.45Å; F679-A681 VanDerWaalsContact C-N 3.29Å; F679-A681 PolarHBondContact O-N 3.32Å; F679-K682 WeakPolarHBondContact O-CB 3.37Å; F679-K682 PolarHBondContact O-N 2.91Å; F679-K682 VanDerWaalsContact O-N 3.11Å; F679-M683 HydrophobicContact CD1-CG 4.34Å; F679-M683 HydrophobicContact CE1-CG 3.89Å; F679-M683 HydrophobicContact CE2-CE 4.19Å; F679-M683 HydrophobicContact CE2-CG 4.06Å; F679-M683 HydrophobicContact CE2-SD 4.23Å; F679-M683 HydrophobicContact CZ-CG 3.73Å; F679-M683 HydrophobicContact CZ-SD 4.11Å; F679-M683 WeakPolarHBondContact O-CG 3.45Å; F679-M683 PolarHBondContact O-N 2.76Å; F679-M683 VanDerWaalsContact O-N 3.09Å
680	L	93.8	Very high	93.3	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-41.3	174.3	-71.4	174.5	0	0	0	111.8	L662 V675 D676 L677 K682 M683 T684 F745 M749	L662-L680 HydrophobicContact CD1-CB 3.77Å; V675-L680 HydrophobicContact CG1-CD1 4.45Å; D676-L680 PolarHBondContact O-N 2.97Å; D676-L680 VanDerWaalsContact O-N 3.15Å; L677-L680 HydrophobicContact CD2-CD1 4.27Å; L677-L680 PolarHBondContact O-N 3.12Å; L680-K682 VanDerWaalsContact C-N 3.31Å; L680-K682 PolarHBondContact O-N 3.23Å; L680-M683 PolarHBondContact O-N 3.12Å; L680-T684 WeakPolarHBondContact O-CB 3.46Å; L680-T684 VanDerWaalsContact O-CG2 3.3Å; L680-T684 WeakPolarHBondContact O-CG2 3.33Å; L680-T684 PolarHBondContact O-N 3.22Å; L680-T684 VanDerWaalsContact O-N 3.17Å; L680-T684 PolarHBondContact O-OG1 3.44Å; L680-F745 HydrophobicContact CD1-CB 4.36Å; L680-F745 HydrophobicContact CD1-CD1 3.68Å; L680-F745 HydrophobicContact CD1-CE1 4.07Å; L680-F745 HydrophobicContact CD1-CG 3.98Å; L680-F745 HydrophobicContact CD2-CB 4.45Å; L680-M749 HydrophobicContact CD2-CG 4.21Å
681	A	94.5	Very high	93.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-36.9	176.2	0	0	0	0	0	112.4	R658 A659 L662 L677 P678 F679 T684	R658-A681 HydrophobicContact CB-CB 4Å; R658-A681 VanDerWaalsContact CZ-O 3.25Å; R658-A681 PolarHBondContact NE-O 2.66Å; R658-A681 PolarHBondContact NH2-O 2.75Å; A659-A681 HydrophobicContact CB-CB 3.84Å; L662-A681 HydrophobicContact CD1-CB 4.32Å; L677-A681 WeakPolarHBondContact O-CB 3.38Å; L677-A681 PolarHBondContact O-N 3.12Å; P678-A681 PolarHBondContact O-N 3.37Å; F679-A681 VanDerWaalsContact C-N 3.29Å; F679-A681 PolarHBondContact O-N 3.32Å; A681-T684 PolarHBondContact O-OG1 3.07Å
682	K	94.9	Very high	93.5	Very high	107 Å²	107	51 Å²	51	47%	0.465	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-36.6	175.3	-75.5	175	179.9	178.5	0	113.1	E655 P678 F679 L680 I685	E655-K682 HydrophobicContact CG-CG 4.17Å; E655-K682 WeakPolarHBondContact OE1-CE 3.35Å; E655-K682 WeakPolarHBondContact OE1-CG 3.44Å; P678-K682 WeakPolarHBondContact O-CG 3.47Å; P678-K682 PolarHBondContact O-N 3.5Å; P678-K682 VanDerWaalsContact O-N 3.07Å; F679-K682 WeakPolarHBondContact O-CB 3.37Å; F679-K682 PolarHBondContact O-N 2.91Å; F679-K682 VanDerWaalsContact O-N 3.11Å; L680-K682 VanDerWaalsContact C-N 3.31Å; L680-K682 PolarHBondContact O-N 3.23Å; K682-I685 WeakPolarHBondContact O-CG1 2.95Å
683	M	93.5	Very high	93.5	Very high	106 Å²	106	53 Å²	53	52%	0.522	28%	0.278	S	S	.	.	H	α-helix	trans	-80.7	-16.9	-176.7	-63.9	-59.8	104.8	0	0	113.8	F679 L680 I685	F679-M683 HydrophobicContact CD1-CG 4.34Å; F679-M683 HydrophobicContact CE1-CG 3.89Å; F679-M683 HydrophobicContact CE2-CE 4.19Å; F679-M683 HydrophobicContact CE2-CG 4.06Å; F679-M683 HydrophobicContact CE2-SD 4.23Å; F679-M683 HydrophobicContact CZ-CG 3.73Å; F679-M683 HydrophobicContact CZ-SD 4.11Å; F679-M683 WeakPolarHBondContact O-CG 3.45Å; F679-M683 PolarHBondContact O-N 2.76Å; F679-M683 VanDerWaalsContact O-N 3.09Å; L680-M683 PolarHBondContact O-N 3.12Å; M683-I685 PolarHBondContact O-N 2.82Å
684	T	92.8	Very high	93.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	25%	0.249	C	C	.	.			trans	-97.7	41.2	-174.4	48.9	0	0	0	0	113.3	R658 L680 A681 G686 F687 L692 M749	R658-T684 WeakPolarHBondContact CD-O 3.33Å; R658-T684 PolarHBondContact NE-O 3.11Å; L680-T684 WeakPolarHBondContact O-CB 3.46Å; L680-T684 VanDerWaalsContact O-CG2 3.3Å; L680-T684 WeakPolarHBondContact O-CG2 3.33Å; L680-T684 PolarHBondContact O-N 3.22Å; L680-T684 VanDerWaalsContact O-N 3.17Å; L680-T684 PolarHBondContact O-OG1 3.44Å; A681-T684 PolarHBondContact O-OG1 3.07Å; T684-G686 PolarHBondContact O-N 3.46Å; T684-F687 HydrophobicContact CG2-CD1 4.08Å; T684-F687 HydrophobicContact CG2-CD2 4.42Å; T684-F687 HydrophobicContact CG2-CE1 4.21Å; T684-F687 HydrophobicContact CG2-CG 4.22Å; T684-F687 HydrophobicContact CG2-CZ 4.45Å; T684-F687 WeakPolarHBondContact O-CB 3.35Å; T684-F687 WeakPolarHBondContact O-CD2 3.16Å; T684-F687 PolarHBondContact O-N 3.16Å; T684-L692 HydrophobicContact CG2-CD2 3.82Å; T684-M749 HydrophobicContact CG2-CE 3.92Å; T684-M749 HydrophobicContact CG2-SD 4.07Å
685	I	91.9	Very high	93.8	Very high	122 Å²	122	42 Å²	42	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	129.3	178.8	-58.8	172.5	0	0	0	110	K682 M683 F687	K682-I685 WeakPolarHBondContact O-CG1 2.95Å; M683-I685 PolarHBondContact O-N 2.82Å; I685-F687 VanDerWaalsContact C-N 3.34Å
686	G	91.7	Very high	93.9	Very high	11 Å²	11	41.3 Å²	41.3	11%	0.113	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	13.5	179.4	0	0	0	0	0	114.9	T684 R754	T684-G686 PolarHBondContact O-N 3.46Å; G686-R754 PolarHBondContact O-NE 3.37Å
687	F	94.3	Very high	93.9	Very high	17 Å²	17	42.1 Å²	42.1	8%	0.075	22%	0.224	C	C	.	.			trans	-82.7	139.1	170.8	-80.9	-126.3	0	0	0	110.4	P653 T684 I685 D691 L692 V695 A752 R754	P653-F687 WeakPolarHBondContact CD-O 3.32Å; P653-F687 VanDerWaalsContact CG-O 3.24Å; P653-F687 WeakPolarHBondContact CG-O 3.23Å; T684-F687 HydrophobicContact CG2-CD1 4.08Å; T684-F687 HydrophobicContact CG2-CD2 4.42Å; T684-F687 HydrophobicContact CG2-CE1 4.21Å; T684-F687 HydrophobicContact CG2-CG 4.22Å; T684-F687 HydrophobicContact CG2-CZ 4.45Å; T684-F687 WeakPolarHBondContact O-CB 3.35Å; T684-F687 WeakPolarHBondContact O-CD2 3.16Å; T684-F687 PolarHBondContact O-N 3.16Å; I685-F687 VanDerWaalsContact C-N 3.34Å; F687-D691 HydrophobicContact CB-CB 3.91Å; F687-D691 HydrophobicContact CD1-CB 3.45Å; F687-D691 VanDerWaalsContact CD1-CB 3.45Å; F687-D691 HydrophobicContact CE1-CB 4.21Å; F687-D691 HydrophobicContact CG-CB 3.97Å; F687-L692 HydrophobicContact CB-CD2 4.12Å; F687-L692 HydrophobicContact CB-CG 4.22Å; F687-L692 HydrophobicContact CD1-CD2 4.31Å; F687-V695 HydrophobicContact CE1-CG2 4.08Å; F687-A752 HydrophobicContact CE1-CB 3.87Å; F687-A752 HydrophobicContact CZ-CB 3.85Å; F687-R754 HydrophobicContact CD2-CG 3.6Å; F687-R754 HydrophobicContact CE2-CG 3.4Å; F687-R754 HydrophobicContact CG-CG 4.49Å; F687-R754 HydrophobicContact CZ-CG 4.15Å
688	S	94.6	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.			trans	-77.5	170.8	167.7	72.1	0	0	0	0	111.5	A690 D691 L692 S755	S688-A690 PolarHBondContact O-N 3.33Å; S688-A690 PolarHBondContact OG-N 2.89Å; S688-D691 PolarHBondContact N-OD2 2.79Å; S688-D691 PolarHBondContact O-N 3.05Å; S688-D691 PolarHBondContact OG-N 3.3Å; S688-D691 VanDerWaalsContact OG-N 3.17Å; S688-D691 PolarHBondContact OG-OD1 3.38Å; S688-D691 PolarHBondContact OG-OD2 3.38Å; S688-L692 PolarHBondContact O-N 3.15Å; S688-L692 VanDerWaalsContact O-N 3.09Å; S688-S755 PolarHBondContact OG-OG 3.07Å
689	G	93.6	Very high	94	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-35.6	173.6	0	0	0	0	0	112.7	G526 T693	G526-G689 CarbonylContact O-C 3.58Å; G526-G689 WeakPolarHBondContact O-CA 3.48Å; G526-G689 PolarHBondContact O-N 3.08Å; G689-T693 WeakPolarHBondContact O-CB 3.49Å; G689-T693 PolarHBondContact O-N 3.33Å; G689-T693 PolarHBondContact O-OG1 3.08Å
690	A	93.6	Very high	94	Very high	48 Å²	48	37.7 Å²	37.7	40%	0.397	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-41	173	0	0	0	0	0	112.2	G526 S688 L692 T693 E694	G526-A690 PolarHBondContact O-N 3.14Å; S688-A690 PolarHBondContact O-N 3.33Å; S688-A690 PolarHBondContact OG-N 2.89Å; A690-L692 PolarHBondContact O-N 3.29Å; A690-T693 PolarHBondContact O-N 3.23Å; A690-E694 WeakPolarHBondContact O-CB 3.38Å; A690-E694 PolarHBondContact O-N 3.2Å
691	D	95.4	Very high	94	Very high	16 Å²	16	43.3 Å²	43.3	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-42.5	177.3	-58.8	-24.1	0	0	0	111.2	F687 S688 T693 E694 V695 S755	F687-D691 HydrophobicContact CB-CB 3.91Å; F687-D691 HydrophobicContact CD1-CB 3.45Å; F687-D691 VanDerWaalsContact CD1-CB 3.45Å; F687-D691 HydrophobicContact CE1-CB 4.21Å; F687-D691 HydrophobicContact CG-CB 3.97Å; S688-D691 PolarHBondContact N-OD2 2.79Å; S688-D691 PolarHBondContact O-N 3.05Å; S688-D691 PolarHBondContact OG-N 3.3Å; S688-D691 VanDerWaalsContact OG-N 3.17Å; S688-D691 PolarHBondContact OG-OD1 3.38Å; S688-D691 PolarHBondContact OG-OD2 3.38Å; D691-T693 VanDerWaalsContact C-N 3.34Å; D691-T693 PolarHBondContact O-N 2.98Å; D691-E694 WeakPolarHBondContact O-CB 3.37Å; D691-E694 PolarHBondContact O-N 2.88Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 3.39Å; D691-V695 VanDerWaalsContact O-N 3.11Å; D691-S755 WeakPolarHBondContact OD1-CB 3.37Å; D691-S755 PolarHBondContact OD1-N 2.93Å; D691-S755 PolarHBondContact OD1-OG 3.5Å; D691-S755 PolarHBondContact OD2-N 3.24Å; D691-S755 VanDerWaalsContact OD2-N 3.1Å; D691-S755 PolarHBondContact OD2-OG 3.35Å
692	L	95.2	Very high	94	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-40.9	175.8	-67.6	175.8	0	0	0	112.1	R658 I661 L662 T684 F687 S688 A690 E694 V695 C696	R658-L692 HydrophobicContact CB-CD1 3.84Å; R658-L692 HydrophobicContact CG-CD1 3.81Å; I661-L692 HydrophobicContact CB-CD1 3.96Å; I661-L692 HydrophobicContact CD1-CD1 4.19Å; I661-L692 HydrophobicContact CG2-CB 4.03Å; I661-L692 HydrophobicContact CG2-CD1 3.76Å; L662-L692 HydrophobicContact CD2-CB 4.28Å; L662-L692 HydrophobicContact CD2-CD2 4.25Å; L662-L692 HydrophobicContact CG-CD2 4.5Å; T684-L692 HydrophobicContact CG2-CD2 3.82Å; F687-L692 HydrophobicContact CB-CD2 4.12Å; F687-L692 HydrophobicContact CB-CG 4.22Å; F687-L692 HydrophobicContact CD1-CD2 4.31Å; S688-L692 PolarHBondContact O-N 3.15Å; S688-L692 VanDerWaalsContact O-N 3.09Å; A690-L692 PolarHBondContact O-N 3.29Å; L692-E694 VanDerWaalsContact C-N 3.3Å; L692-E694 PolarHBondContact O-N 3.25Å; L692-V695 PolarHBondContact O-N 3.26Å; L692-C696 PolarHBondContact O-N 3.17Å; L692-C696 PolarHBondContact O-SG 2.89Å; L692-C696 VanDerWaalsContact O-SG 3.41Å
693	T	93.1	Very high	94	Very high	50 Å²	50	40.9 Å²	40.9	31%	0.307	22%	0.215	S	C	.	.	H	α-helix	trans	-65.3	-37.2	177.2	-59	0	0	0	0	110.8	G689 A690 D691 C696 Q697	G689-T693 WeakPolarHBondContact O-CB 3.49Å; G689-T693 PolarHBondContact O-N 3.33Å; G689-T693 PolarHBondContact O-OG1 3.08Å; A690-T693 PolarHBondContact O-N 3.23Å; D691-T693 VanDerWaalsContact C-N 3.34Å; D691-T693 PolarHBondContact O-N 2.98Å; T693-C696 PolarHBondContact O-N 3.22Å; T693-Q697 HydrophobicContact CG2-CG 4.36Å; T693-Q697 WeakPolarHBondContact O-CB 3.4Å; T693-Q697 VanDerWaalsContact O-CG 3.31Å; T693-Q697 WeakPolarHBondContact O-CG 3.43Å; T693-Q697 PolarHBondContact O-N 2.98Å
694	E	94.2	Very high	94	Very high	63 Å²	63	40.5 Å²	40.5	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-44.4	174.7	-159.6	-80.5	154.5	0	0	111.2	A690 D691 L692 C696 Q697 R698	A690-E694 WeakPolarHBondContact O-CB 3.38Å; A690-E694 PolarHBondContact O-N 3.2Å; D691-E694 WeakPolarHBondContact O-CB 3.37Å; D691-E694 PolarHBondContact O-N 2.88Å; L692-E694 VanDerWaalsContact C-N 3.3Å; L692-E694 PolarHBondContact O-N 3.25Å; E694-C696 PolarHBondContact O-N 3Å; E694-Q697 PolarHBondContact O-N 2.64Å; E694-R698 WeakPolarHBondContact O-CG 3.15Å; E694-R698 PolarHBondContact O-N 3.19Å; E694-R698 WeakPolarHBondContact OE1-CD 3.45Å; E694-R698 WeakPolarHBondContact OE1-CG 3.35Å; E694-R698 IonicContact OE1-CZ 3.39Å; E694-R698 IonicContact OE1-NE 3.16Å; E694-R698 IonicContact OE1-NH1 2.68Å; E694-R698 PolarHBondContact OE1-NH1 3.13Å; E694-R698 WeakPolarHBondContact OE2-CD 3.48Å; E694-R698 IonicContact OE2-NH1 3.5Å
695	V	95	Very high	94	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-47.1	174.3	174.8	0	0	0	0	111.4	F687 D691 L692 R698 A699 F745 A748 M749 A752	F687-V695 HydrophobicContact CE1-CG2 4.08Å; D691-V695 WeakPolarHBondContact O-CG2 3.47Å; D691-V695 PolarHBondContact O-N 3.39Å; D691-V695 VanDerWaalsContact O-N 3.11Å; L692-V695 PolarHBondContact O-N 3.26Å; V695-R698 PolarHBondContact O-N 3.21Å; V695-A699 PolarHBondContact O-N 3.32Å; V695-F745 HydrophobicContact CG1-CD1 4.35Å; V695-A748 HydrophobicContact CG1-CB 4.34Å; V695-M749 HydrophobicContact CG1-CG 4.29Å; V695-M749 HydrophobicContact CG1-SD 3.85Å; V695-M749 HydrophobicContact CG2-SD 4.1Å; V695-A752 HydrophobicContact CG2-CB 3.86Å
696	C	94.6	Very high	94.1	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-46.6	176	-67.9	0	0	0	0	112	L662 L666 L692 T693 E694 R698 A699 C700	L662-C696 VanDerWaalsContact CD2-SG 3.59Å; L666-C696 HydrophobicContact CD2-CB 3.95Å; L666-C696 HydrophobicContact CG-CB 4.41Å; L692-C696 PolarHBondContact O-N 3.17Å; L692-C696 PolarHBondContact O-SG 2.89Å; L692-C696 VanDerWaalsContact O-SG 3.41Å; T693-C696 PolarHBondContact O-N 3.22Å; E694-C696 PolarHBondContact O-N 3Å; C696-R698 VanDerWaalsContact C-N 3.34Å; C696-R698 PolarHBondContact O-N 2.93Å; C696-A699 PolarHBondContact O-N 3.04Å; C696-C700 PolarHBondContact O-N 3.33Å; C696-C700 PolarHBondContact O-SG 3.49Å
697	Q	93.4	Very high	94.1	Very high	104 Å²	104	44.1 Å²	44.1	49%	0.486	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-37.7	178.7	-74.4	-179.1	2.2	0	0	112.3	T693 E694 C700 K701	T693-Q697 HydrophobicContact CG2-CG 4.36Å; T693-Q697 WeakPolarHBondContact O-CB 3.4Å; T693-Q697 VanDerWaalsContact O-CG 3.31Å; T693-Q697 WeakPolarHBondContact O-CG 3.43Å; T693-Q697 PolarHBondContact O-N 2.98Å; E694-Q697 PolarHBondContact O-N 2.64Å; Q697-C700 PolarHBondContact O-N 3.09Å; Q697-K701 WeakPolarHBondContact O-CB 3.07Å; Q697-K701 VanDerWaalsContact O-CG 3.29Å; Q697-K701 WeakPolarHBondContact O-CG 3.14Å; Q697-K701 PolarHBondContact O-N 3.03Å
698	R	94.7	Very high	93.9	Very high	79 Å²	79	47.2 Å²	47.2	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-45.7	174.1	-74.8	-172.8	107.9	104	-3.3	111.6	E694 V695 C696 C700 K701 L702 A748 F751	E694-R698 WeakPolarHBondContact O-CG 3.15Å; E694-R698 PolarHBondContact O-N 3.19Å; E694-R698 WeakPolarHBondContact OE1-CD 3.45Å; E694-R698 WeakPolarHBondContact OE1-CG 3.35Å; E694-R698 IonicContact OE1-CZ 3.39Å; E694-R698 IonicContact OE1-NE 3.16Å; E694-R698 IonicContact OE1-NH1 2.68Å; E694-R698 PolarHBondContact OE1-NH1 3.13Å; E694-R698 WeakPolarHBondContact OE2-CD 3.48Å; E694-R698 IonicContact OE2-NH1 3.5Å; V695-R698 PolarHBondContact O-N 3.21Å; C696-R698 VanDerWaalsContact C-N 3.34Å; C696-R698 PolarHBondContact O-N 2.93Å; R698-C700 VanDerWaalsContact C-N 3.33Å; R698-C700 PolarHBondContact O-N 3.18Å; R698-K701 WeakPolarHBondContact O-CB 3.31Å; R698-K701 PolarHBondContact O-N 2.84Å; R698-L702 WeakPolarHBondContact O-CG 3.42Å; R698-L702 PolarHBondContact O-N 3.35Å; R698-A748 HydrophobicContact CB-CB 3.73Å; R698-F751 VanDerWaalsContact CZ-CB 3.42Å
699	A	95.2	Very high	93.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-46.3	176.6	0	0	0	0	0	110.6	V695 C696 K701 L702 A703 L740 H744 F745 A748	V695-A699 PolarHBondContact O-N 3.32Å; C696-A699 PolarHBondContact O-N 3.04Å; A699-K701 PolarHBondContact O-N 2.78Å; A699-L702 WeakPolarHBondContact O-CB 3.49Å; A699-L702 PolarHBondContact O-N 3.44Å; A699-A703 PolarHBondContact O-N 3.24Å; A699-L740 HydrophobicContact CB-CD1 4.04Å; A699-L740 HydrophobicContact CB-CD2 4.24Å; A699-L740 WeakPolarHBondContact O-CD1 3.43Å; A699-H744 HydrophobicContact CB-CB 4.17Å; A699-F745 HydrophobicContact CB-CD1 3.78Å; A699-F745 HydrophobicContact CB-CD2 4.32Å; A699-F745 HydrophobicContact CB-CE1 3.8Å; A699-F745 HydrophobicContact CB-CE2 4.33Å; A699-F745 HydrophobicContact CB-CG 4.05Å; A699-F745 HydrophobicContact CB-CZ 4.08Å; A699-A748 HydrophobicContact CB-CB 4.1Å
700	C	94.2	Very high	93.7	Very high	30 Å²	30	55.6 Å²	55.6	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-42.2	174.5	-65.8	0	0	0	0	112.7	C696 Q697 R698 L702 A703 I704	C696-C700 PolarHBondContact O-N 3.33Å; C696-C700 PolarHBondContact O-SG 3.49Å; Q697-C700 PolarHBondContact O-N 3.09Å; R698-C700 VanDerWaalsContact C-N 3.33Å; R698-C700 PolarHBondContact O-N 3.18Å; C700-L702 VanDerWaalsContact C-N 3.28Å; C700-L702 PolarHBondContact O-N 2.98Å; C700-A703 PolarHBondContact O-N 3.39Å; C700-I704 VanDerWaalsContact O-CG1 3.27Å; C700-I704 WeakPolarHBondContact O-CG1 3.45Å; C700-I704 PolarHBondContact O-N 2.84Å
701	K	94.1	Very high	93.4	Very high	132 Å²	132	58.5 Å²	58.5	57%	0.574	28%	0.276	S	S	*	.	H	α-helix	trans	-61.2	-35.8	176.6	-77.7	172.5	-177.8	174.2	0	112.5	Q697 R698 A699 R705	Q697-K701 WeakPolarHBondContact O-CB 3.07Å; Q697-K701 VanDerWaalsContact O-CG 3.29Å; Q697-K701 WeakPolarHBondContact O-CG 3.14Å; Q697-K701 PolarHBondContact O-N 3.03Å; R698-K701 WeakPolarHBondContact O-CB 3.31Å; R698-K701 PolarHBondContact O-N 2.84Å; A699-K701 PolarHBondContact O-N 2.78Å; K701-R705 WeakPolarHBondContact O-CB 3.44Å; K701-R705 PolarHBondContact O-N 3.32Å
702	L	94.7	Very high	93.1	Very high	44 Å²	44	61.8 Å²	61.8	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-44.9	175.8	-68.8	169.5	0	0	0	111.3	R698 A699 C700 I704 R705 E706 H744 E747	R698-L702 WeakPolarHBondContact O-CG 3.42Å; R698-L702 PolarHBondContact O-N 3.35Å; A699-L702 WeakPolarHBondContact O-CB 3.49Å; A699-L702 PolarHBondContact O-N 3.44Å; C700-L702 VanDerWaalsContact C-N 3.28Å; C700-L702 PolarHBondContact O-N 2.98Å; L702-I704 PolarHBondContact O-N 3.43Å; L702-R705 WeakPolarHBondContact O-CB 3.47Å; L702-R705 PolarHBondContact O-N 3.23Å; L702-E706 PolarHBondContact O-N 2.86Å; L702-H744 HydrophobicContact CB-CB 4.45Å; L702-H744 WeakPolarHBondContact CD1-O 3.46Å; L702-E747 HydrophobicContact CD1-CB 3.64Å; L702-E747 HydrophobicContact CD1-CG 3.65Å; L702-E747 HydrophobicContact CD2-CG 4.37Å
703	A	94	Very high	92.7	Very high	12 Å²	12	67 Å²	67	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-43.7	176.5	0	0	0	0	0	112.4	A699 C700 R705 E706 N707 V737 L740	A699-A703 PolarHBondContact O-N 3.24Å; C700-A703 PolarHBondContact O-N 3.39Å; A703-R705 VanDerWaalsContact C-N 3.34Å; A703-R705 PolarHBondContact O-N 3.11Å; A703-E706 PolarHBondContact O-N 3.49Å; A703-N707 WeakPolarHBondContact O-CB 3.3Å; A703-N707 PolarHBondContact O-N 3.05Å; A703-V737 HydrophobicContact CB-CG1 4.23Å; A703-L740 HydrophobicContact CB-CD1 3.7Å
704	I	93.3	Very high	92.3	Very high	99 Å²	99	70.3 Å²	70.3	51%	0.508	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.4	-68	165.4	0	0	0	110.7	C700 L702 N707 I708	C700-I704 VanDerWaalsContact O-CG1 3.27Å; C700-I704 WeakPolarHBondContact O-CG1 3.45Å; C700-I704 PolarHBondContact O-N 2.84Å; L702-I704 PolarHBondContact O-N 3.43Å; I704-N707 PolarHBondContact O-N 2.95Å; I704-I708 HydrophobicContact CG2-CD1 3.72Å; I704-I708 HydrophobicContact CG2-CG1 4.41Å; I704-I708 VanDerWaalsContact O-CG1 3.32Å; I704-I708 WeakPolarHBondContact O-CG1 3.48Å; I704-I708 PolarHBondContact O-N 3.07Å
705	R	93.4	Very high	91.7	Very high	146 Å²	146	71.6 Å²	71.6	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-60.2	-48.4	176.9	179.5	-177.1	-63.5	164.2	-0.9	111.1	K701 L702 A703 N707 I708 E709	K701-R705 WeakPolarHBondContact O-CB 3.44Å; K701-R705 PolarHBondContact O-N 3.32Å; L702-R705 WeakPolarHBondContact O-CB 3.47Å; L702-R705 PolarHBondContact O-N 3.23Å; A703-R705 VanDerWaalsContact C-N 3.34Å; A703-R705 PolarHBondContact O-N 3.11Å; R705-N707 VanDerWaalsContact C-N 3.31Å; R705-N707 PolarHBondContact O-N 3.11Å; R705-I708 PolarHBondContact O-N 3.39Å; R705-E709 HydrophobicContact CG-CG 4.38Å; R705-E709 VanDerWaalsContact CG-OE1 3.31Å; R705-E709 WeakPolarHBondContact CG-OE1 3.34Å; R705-E709 WeakPolarHBondContact O-CB 3.19Å; R705-E709 VanDerWaalsContact O-CG 3.3Å; R705-E709 WeakPolarHBondContact O-CG 3.4Å; R705-E709 PolarHBondContact O-N 2.92Å
706	E	93.6	Very high	91.2	Very high	39 Å²	39	77.8 Å²	77.8	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-41.2	178.3	-177.1	-173.9	141.8	0	0	111.9	L702 A703 E709 K710 V737 R741 H744	L702-E706 PolarHBondContact O-N 2.86Å; A703-E706 PolarHBondContact O-N 3.49Å; E706-E709 PolarHBondContact O-N 2.58Å; E706-K710 HydrophobicContact CG-CD 4.17Å; E706-K710 WeakPolarHBondContact O-CB 3.33Å; E706-K710 WeakPolarHBondContact O-CG 3.35Å; E706-K710 PolarHBondContact O-N 3.26Å; E706-K710 WeakPolarHBondContact OE1-CE 3.41Å; E706-K710 IonicContact OE1-NZ 2.67Å; E706-K710 PolarHBondContact OE1-NZ 3.38Å; E706-V737 HydrophobicContact CB-CG2 4.14Å; E706-V737 HydrophobicContact CG-CG2 3.76Å; E706-V737 WeakPolarHBondContact OE1-CG2 3.4Å; E706-R741 VanDerWaalsContact CD-NH2 3.31Å; E706-R741 IonicContact OE1-CZ 3.25Å; E706-R741 IonicContact OE1-NH1 3.59Å; E706-R741 PolarHBondContact OE1-NH1 3.32Å; E706-R741 IonicContact OE1-NH2 2.92Å; E706-R741 PolarHBondContact OE1-NH2 3.04Å; E706-R741 VanDerWaalsContact OE1-NH2 3.16Å; E706-R741 IonicContact OE2-CZ 3.51Å; E706-R741 IonicContact OE2-NH1 3.22Å; E706-R741 PolarHBondContact OE2-NH1 3.48Å; E706-R741 IonicContact OE2-NH2 2.77Å; E706-R741 PolarHBondContact OE2-NH2 3.37Å; E706-H744 IonicContact OE2-CE1 3.15Å; E706-H744 IonicContact OE2-NE2 3.04Å; E706-H744 PolarHBondContact OE2-NE2 3.31Å
707	N	92.2	Very high	90.6	Very high	25 Å²	25	81.1 Å²	81.1	13%	0.134	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-54.6	178.2	-163.3	-35.6	0	0	0	111	A703 I704 R705 E709 K710 E711 D735 P736 V737	A703-N707 WeakPolarHBondContact O-CB 3.3Å; A703-N707 PolarHBondContact O-N 3.05Å; I704-N707 PolarHBondContact O-N 2.95Å; R705-N707 VanDerWaalsContact C-N 3.31Å; R705-N707 PolarHBondContact O-N 3.11Å; N707-E709 VanDerWaalsContact C-N 3.33Å; N707-E709 PolarHBondContact O-N 3.1Å; N707-K710 PolarHBondContact O-N 3.36Å; N707-K710 VanDerWaalsContact O-N 3.16Å; N707-E711 PolarHBondContact O-N 3.29Å; N707-D735 PolarHBondContact ND2-OD1 3.42Å; N707-P736 WeakPolarHBondContact OD1-CD 3.31Å; N707-P736 WeakPolarHBondContact OD1-CG 3.35Å; N707-V737 HydrophobicContact CB-CB 4.01Å; N707-V737 HydrophobicContact CB-CG2 4.02Å
708	I	90.6	Very high	89.9	Confident	83 Å²	83	81.7 Å²	81.7	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.2	-66	169.6	0	0	0	111.3	I704 R705 K710 E711 I712	I704-I708 HydrophobicContact CG2-CD1 3.72Å; I704-I708 HydrophobicContact CG2-CG1 4.41Å; I704-I708 VanDerWaalsContact O-CG1 3.32Å; I704-I708 WeakPolarHBondContact O-CG1 3.48Å; I704-I708 PolarHBondContact O-N 3.07Å; R705-I708 PolarHBondContact O-N 3.39Å; I708-K710 PolarHBondContact O-N 2.72Å; I708-E711 PolarHBondContact O-N 3.23Å; I708-I712 HydrophobicContact CG2-CD1 3.74Å; I708-I712 HydrophobicContact CG2-CG1 4.4Å; I708-I712 WeakPolarHBondContact O-CB 3.35Å; I708-I712 WeakPolarHBondContact O-CD1 3.15Å; I708-I712 WeakPolarHBondContact O-CG1 3.36Å; I708-I712 PolarHBondContact O-N 2.95Å
709	E	92.8	Very high	89.1	Confident	118 Å²	118	83 Å²	83	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-62.4	-42	177.9	-77.6	174.9	-174.4	0	0	111.9	R705 E706 N707 Q713	R705-E709 HydrophobicContact CG-CG 4.38Å; R705-E709 VanDerWaalsContact CG-OE1 3.31Å; R705-E709 WeakPolarHBondContact CG-OE1 3.34Å; R705-E709 WeakPolarHBondContact O-CB 3.19Å; R705-E709 VanDerWaalsContact O-CG 3.3Å; R705-E709 WeakPolarHBondContact O-CG 3.4Å; R705-E709 PolarHBondContact O-N 2.92Å; E706-E709 PolarHBondContact O-N 2.58Å; N707-E709 VanDerWaalsContact C-N 3.33Å; N707-E709 PolarHBondContact O-N 3.1Å; E709-Q713 WeakPolarHBondContact O-CB 3.49Å; E709-Q713 PolarHBondContact O-N 3.28Å
710	K	90.1	Very high	88.4	Confident	70 Å²	70	86.5 Å²	86.5	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-69	-42.4	176.2	-75.4	179.3	177	170.7	0	112.3	E706 N707 I708 I712 Q713 F714 P736 V737	E706-K710 HydrophobicContact CG-CD 4.17Å; E706-K710 WeakPolarHBondContact O-CB 3.33Å; E706-K710 WeakPolarHBondContact O-CG 3.35Å; E706-K710 PolarHBondContact O-N 3.26Å; E706-K710 WeakPolarHBondContact OE1-CE 3.41Å; E706-K710 IonicContact OE1-NZ 2.67Å; E706-K710 PolarHBondContact OE1-NZ 3.38Å; N707-K710 PolarHBondContact O-N 3.36Å; N707-K710 VanDerWaalsContact O-N 3.16Å; I708-K710 PolarHBondContact O-N 2.72Å; K710-I712 PolarHBondContact O-N 3.49Å; K710-Q713 PolarHBondContact O-N 3.39Å; K710-Q713 VanDerWaalsContact O-N 3.16Å; K710-F714 HydrophobicContact CB-CD2 4.41Å; K710-F714 HydrophobicContact CB-CE2 4.28Å; K710-F714 WeakPolarHBondContact O-CD2 3.25Å; K710-F714 PolarHBondContact O-N 3.26Å; K710-P736 HydrophobicContact CB-CB 3.76Å; K710-P736 HydrophobicContact CB-CG 3.92Å; K710-P736 HydrophobicContact CD-CB 3.78Å; K710-P736 HydrophobicContact CG-CB 4.45Å; K710-P736 PolarHBondContact NZ-O 3.11Å; K710-V737 HydrophobicContact CD-CG2 4.18Å
711	E	87.2	Confident	87.6	Confident	108 Å²	108	91.3 Å²	91.3	51%	0.505	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-46	174.4	-75.5	-173.3	156.6	0	0	111.5	N707 I708 Q713 F714 E715 P736	N707-E711 PolarHBondContact O-N 3.29Å; I708-E711 PolarHBondContact O-N 3.23Å; E711-Q713 VanDerWaalsContact C-N 3.27Å; E711-Q713 PolarHBondContact O-N 3.28Å; E711-F714 PolarHBondContact O-N 2.89Å; E711-E715 WeakPolarHBondContact O-CB 3.24Å; E711-E715 PolarHBondContact O-N 3.48Å; E711-P736 HydrophobicContact CG-CG 4.04Å
712	I	88.5	Confident	86.5	Confident	86 Å²	86	88.6 Å²	88.6	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-39.4	175.7	-69.1	167.1	0	0	0	110.9	I708 K710 K716	I708-I712 HydrophobicContact CG2-CD1 3.74Å; I708-I712 HydrophobicContact CG2-CG1 4.4Å; I708-I712 WeakPolarHBondContact O-CB 3.35Å; I708-I712 WeakPolarHBondContact O-CD1 3.15Å; I708-I712 WeakPolarHBondContact O-CG1 3.36Å; I708-I712 PolarHBondContact O-N 2.95Å; K710-I712 PolarHBondContact O-N 3.49Å; I712-K716 HydrophobicContact CG2-CD 4.2Å; I712-K716 WeakPolarHBondContact O-CB 3.48Å; I712-K716 VanDerWaalsContact O-CG 3.28Å; I712-K716 WeakPolarHBondContact O-CG 3.29Å; I712-K716 PolarHBondContact O-N 3.4Å
713	Q	87.2	Confident	85.6	Confident	111 Å²	111	93.2 Å²	93.2	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-46.4	177.3	-176.2	173.8	-11.8	0	0	111.6	E709 K710 E711 E715 K716 E717	E709-Q713 WeakPolarHBondContact O-CB 3.49Å; E709-Q713 PolarHBondContact O-N 3.28Å; K710-Q713 PolarHBondContact O-N 3.39Å; K710-Q713 VanDerWaalsContact O-N 3.16Å; E711-Q713 VanDerWaalsContact C-N 3.27Å; E711-Q713 PolarHBondContact O-N 3.28Å; Q713-E715 VanDerWaalsContact C-N 3.32Å; Q713-E715 PolarHBondContact O-N 3.49Å; Q713-K716 PolarHBondContact O-N 2.87Å; Q713-E717 PolarHBondContact NE2-OE1 2.73Å; Q713-E717 WeakPolarHBondContact O-CG 3.4Å; Q713-E717 PolarHBondContact O-N 3.32Å
714	F	84.4	Confident	84.8	Confident	119 Å²	119	101.6 Å²	101.6	52%	0.522	47%	0.47	S	S	.	.	H	α-helix	trans	-60.2	-42.2	175.9	-77.1	-55.3	0	0	0	111.6	K710 E711 E717 R718 P736	K710-F714 HydrophobicContact CB-CD2 4.41Å; K710-F714 HydrophobicContact CB-CE2 4.28Å; K710-F714 WeakPolarHBondContact O-CD2 3.25Å; K710-F714 PolarHBondContact O-N 3.26Å; E711-F714 PolarHBondContact O-N 2.89Å; F714-E717 PolarHBondContact O-N 3.17Å; F714-R718 VanDerWaalsContact O-CB 3.22Å; F714-R718 WeakPolarHBondContact O-CB 3.41Å; F714-R718 PolarHBondContact O-N 3.15Å; F714-P736 HydrophobicContact CE2-CB 3.98Å
715	E	82.6	Confident	83.2	Confident	90 Å²	90	100.2 Å²	100.2	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-40.3	177.2	-171.9	57.7	-147.8	0	0	111.8	E711 Q713 R718 Q719	E711-E715 WeakPolarHBondContact O-CB 3.24Å; E711-E715 PolarHBondContact O-N 3.48Å; Q713-E715 VanDerWaalsContact C-N 3.32Å; Q713-E715 PolarHBondContact O-N 3.49Å; E715-R718 WeakPolarHBondContact O-CB 3.49Å; E715-R718 PolarHBondContact O-N 3.25Å; E715-Q719 VanDerWaalsContact O-CG 3.31Å; E715-Q719 WeakPolarHBondContact O-CG 3.27Å; E715-Q719 PolarHBondContact O-N 3.09Å
716	K	84.5	Confident	81.7	Confident	133 Å²	133	98.1 Å²	98.1	58%	0.578	48%	0.476	S	S	*	.	H	α-helix	trans	-63.1	-43.9	172.7	-76.2	172.4	-178	173.9	0	111.9	I712 Q713 R718 Q719 V720	I712-K716 HydrophobicContact CG2-CD 4.2Å; I712-K716 WeakPolarHBondContact O-CB 3.48Å; I712-K716 VanDerWaalsContact O-CG 3.28Å; I712-K716 WeakPolarHBondContact O-CG 3.29Å; I712-K716 PolarHBondContact O-N 3.4Å; Q713-K716 PolarHBondContact O-N 2.87Å; K716-R718 VanDerWaalsContact C-N 3.32Å; K716-Q719 PolarHBondContact O-N 3.41Å; K716-V720 VanDerWaalsContact O-CG2 3.3Å; K716-V720 WeakPolarHBondContact O-CG2 3.23Å; K716-V720 PolarHBondContact O-N 3.06Å
717	E	82.5	Confident	79.7	Confident	76 Å²	76	105.8 Å²	105.8	36%	0.355	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-39.1	176.5	-72.7	177.9	-164.7	0	0	111.3	Q713 F714 V720 R721	Q713-E717 PolarHBondContact NE2-OE1 2.73Å; Q713-E717 WeakPolarHBondContact O-CG 3.4Å; Q713-E717 PolarHBondContact O-N 3.32Å; F714-E717 PolarHBondContact O-N 3.17Å; E717-V720 PolarHBondContact O-N 3.37Å; E717-R721 WeakPolarHBondContact O-CG 3.43Å; E717-R721 PolarHBondContact O-N 2.96Å
718	R	77.8	Confident	77.9	Confident	115 Å²	115	108.2 Å²	108.2	43%	0.434	52%	0.523	S	S	.	.	H	α-helix	trans	-58.2	-49	173.7	-161.4	-180	-173.5	176	1.5	111.3	F714 E715 K716 V720 R721 S722 M728	F714-R718 VanDerWaalsContact O-CB 3.22Å; F714-R718 WeakPolarHBondContact O-CB 3.41Å; F714-R718 PolarHBondContact O-N 3.15Å; E715-R718 WeakPolarHBondContact O-CB 3.49Å; E715-R718 PolarHBondContact O-N 3.25Å; K716-R718 VanDerWaalsContact C-N 3.32Å; R718-V720 PolarHBondContact O-N 3.43Å; R718-R721 PolarHBondContact O-N 3.13Å; R718-S722 WeakPolarHBondContact O-CB 3.49Å; R718-S722 PolarHBondContact O-N 2.9Å; R718-M728 HydrophobicContact CB-CE 4.35Å; R718-M728 HydrophobicContact CB-SD 4.35Å; R718-M728 HydrophobicContact CG-CE 3.4Å; R718-M728 VanDerWaalsContact CG-CE 3.4Å; R718-M728 HydrophobicContact CG-SD 3.26Å; R718-M728 WeakPolarHBondContact CG-SD 3.38Å
719	Q	78.4	Confident	76	Confident	106 Å²	106	112.1 Å²	112.1	50%	0.495	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-39.5	176.4	-72.8	174.7	11.8	0	0	112.3	E715 K716 N723	E715-Q719 VanDerWaalsContact O-CG 3.31Å; E715-Q719 WeakPolarHBondContact O-CG 3.27Å; E715-Q719 PolarHBondContact O-N 3.09Å; K716-Q719 PolarHBondContact O-N 3.41Å; Q719-N723 WeakPolarHBondContact O-CB 3.11Å; Q719-N723 PolarHBondContact O-N 3.26Å; Q719-N723 PolarHBondContact O-ND2 3.41Å
720	V	81.5	Confident	74.1	Confident	75 Å²	75	115.3 Å²	115.3	46%	0.455	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-40.2	176.7	172.9	0	0	0	0	111.8	K716 E717 R718 N723 R724	K716-V720 VanDerWaalsContact O-CG2 3.3Å; K716-V720 WeakPolarHBondContact O-CG2 3.23Å; K716-V720 PolarHBondContact O-N 3.06Å; E717-V720 PolarHBondContact O-N 3.37Å; R718-V720 PolarHBondContact O-N 3.43Å; V720-N723 PolarHBondContact O-N 2.7Å; V720-R724 WeakPolarHBondContact O-CG 3.44Å; V720-R724 PolarHBondContact O-N 3.12Å
721	R	76.1	Confident	72.4	Confident	130 Å²	130	120 Å²	120	49%	0.491	58%	0.579	S	S	.	*	H	α-helix	trans	-68.3	-42.1	175.3	-72.4	-170.7	-166.2	179	5.4	112.3	E717 R718 N723 R724 G725 E726	E717-R721 WeakPolarHBondContact O-CG 3.43Å; E717-R721 PolarHBondContact O-N 2.96Å; R718-R721 PolarHBondContact O-N 3.13Å; R721-N723 VanDerWaalsContact C-N 3.3Å; R721-N723 PolarHBondContact O-N 3.47Å; R721-R724 WeakPolarHBondContact O-CA 3.46Å; R721-R724 WeakPolarHBondContact O-CB 3.43Å; R721-R724 PolarHBondContact O-N 2.82Å; R721-G725 PolarHBondContact O-N 3.1Å; R721-E726 WeakPolarHBondContact CD-OE2 3.32Å; R721-E726 WeakPolarHBondContact CG-OE2 3.36Å; R721-E726 PolarHBondContact O-N 2.85Å
722	S	72	Confident	70.8	Confident	75 Å²	75	123.8 Å²	123.8	52%	0.524	60%	0.597	S	S	.	*	H	α-helix	trans	-57.6	-43.8	173.9	-176.4	0	0	0	0	111.4	R718 R724 G725	R718-S722 WeakPolarHBondContact O-CB 3.49Å; R718-S722 PolarHBondContact O-N 2.9Å; S722-R724 PolarHBondContact O-N 3.24Å; S722-G725 PolarHBondContact O-N 3.41Å; S722-G725 VanDerWaalsContact O-N 3.08Å
723	N	75.8	Confident	69.5	Low	141 Å²	141	124.6 Å²	124.6	75%	0.754	62%	0.617	S	S	*	*	H	α-helix	trans	-65.3	-19.3	175.1	-73.2	-24.3	0	0	0	114.2	Q719 V720 R721	Q719-N723 WeakPolarHBondContact O-CB 3.11Å; Q719-N723 PolarHBondContact O-N 3.26Å; Q719-N723 PolarHBondContact O-ND2 3.41Å; V720-N723 PolarHBondContact O-N 2.7Å; R721-N723 VanDerWaalsContact C-N 3.3Å; R721-N723 PolarHBondContact O-N 3.47Å
724	R	76.4	Confident	68.6	Low	189 Å²	189	123.5 Å²	123.5	71%	0.713	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-3.2	175.1	-72.3	178.7	178.9	-179.2	1.3	113.5	V720 R721 S722	V720-R724 WeakPolarHBondContact O-CG 3.44Å; V720-R724 PolarHBondContact O-N 3.12Å; R721-R724 WeakPolarHBondContact O-CA 3.46Å; R721-R724 WeakPolarHBondContact O-CB 3.43Å; R721-R724 PolarHBondContact O-N 2.82Å; S722-R724 PolarHBondContact O-N 3.24Å
725	G	59.1	Low	68.4	Low	69 Å²	69	121.7 Å²	121.7	71%	0.711	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.5	21.8	179.7	0	0	0	0	0	114.5	R721 S722	R721-G725 PolarHBondContact O-N 3.1Å; S722-G725 PolarHBondContact O-N 3.41Å; S722-G725 VanDerWaalsContact O-N 3.08Å
726	E	62.9	Low	68.3	Low	102 Å²	102	118.7 Å²	118.7	48%	0.477	61%	0.611	S	S	.	*			trans	-79.8	127.5	173.8	-70.3	174.4	-179.3	0	0	110.2	R721 M728	R721-E726 WeakPolarHBondContact CD-OE2 3.32Å; R721-E726 WeakPolarHBondContact CG-OE2 3.36Å; R721-E726 PolarHBondContact O-N 2.85Å; E726-M728 PolarHBondContact O-N 3.27Å
727	E	51.3	Low	68.4	Low	200 Å²	200	112.9 Å²	112.9	94%	0.935	59%	0.587	S	S	*	*			trans	-59.8	122.6	175	-79.1	-177.9	163.7	0	0	110.3
728	M	54.9	Low	68.6	Low	77 Å²	77	113 Å²	113	38%	0.379	59%	0.594	S	S	.	*			trans	-97	106.7	178	-61.5	-144.5	66	0	0	109.4	R718 E726	R718-M728 HydrophobicContact CB-CE 4.35Å; R718-M728 HydrophobicContact CB-SD 4.35Å; R718-M728 HydrophobicContact CG-CE 3.4Å; R718-M728 VanDerWaalsContact CG-CE 3.4Å; R718-M728 HydrophobicContact CG-SD 3.26Å; R718-M728 WeakPolarHBondContact CG-SD 3.38Å; E726-M728 PolarHBondContact O-N 3.27Å
729	M	50.6	Low	69.3	Low	165 Å²	165	111.7 Å²	111.7	81%	0.813	59%	0.593	S	S	*	*			trans	-63.1	134.7	165.5	-82.9	-176.5	164.9	0	0	109.5	E731	M729-E731 PolarHBondContact O-N 3.01Å
730	E	51.8	Low	70	Confident	185 Å²	185	106.9 Å²	106.9	86%	0.864	57%	0.57	S	S	*	*			trans	-69.9	73.9	168	-69.5	178.6	162.4	0	0	109.1
731	E	54.2	Low	70.6	Confident	167 Å²	167	106.4 Å²	106.4	78%	0.78	56%	0.56	S	S	*	*			trans	-73	129.3	160.3	-74.5	-177.1	164.9	0	0	107.6	M729 A733	M729-E731 PolarHBondContact O-N 3.01Å; E731-A733 PolarHBondContact O-N 3.33Å; E731-A733 VanDerWaalsContact O-N 3.12Å
732	E	54.4	Low	71.5	Confident	188 Å²	188	104.9 Å²	104.9	88%	0.879	56%	0.557	S	S	*	*			trans	-46.6	122.3	171.2	-75	-179.9	155.2	0	0	108.4	A734	E732-A734 VanDerWaalsContact C-N 3.32Å; E732-A734 PolarHBondContact O-N 2.9Å
733	A	60.4	Low	72.5	Confident	104 Å²	104	104.8 Å²	104.8	86%	0.86	55%	0.551	S	S	*	*			trans	-61.1	95.6	-176.2	0	0	0	0	0	109.3	E731 D735	E731-A733 PolarHBondContact O-N 3.33Å; E731-A733 VanDerWaalsContact O-N 3.12Å; A733-D735 PolarHBondContact O-N 3.18Å
734	A	69.5	Low	73.5	Confident	87 Å²	87	98.4 Å²	98.4	72%	0.719	52%	0.517	S	S	*	.			trans	-64.5	127.1	179.4	0	0	0	0	0	108.8	E732 P736	E732-A734 VanDerWaalsContact C-N 3.32Å; E732-A734 PolarHBondContact O-N 2.9Å; A734-P736 WeakPolarHBondContact O-CD 3.03Å; A734-P736 VanDerWaalsContact O-N 3.13Å
735	D	81	Confident	74.4	Confident	81 Å²	81	89.6 Å²	89.6	43%	0.433	48%	0.483	S	S	.	.			trans	-54.6	117.6	175.5	-179.2	-14.7	0	0	0	109.2	N707 A733 V737 P738	N707-D735 PolarHBondContact ND2-OD1 3.42Å; A733-D735 PolarHBondContact O-N 3.18Å; D735-V737 PolarHBondContact O-N 3.45Å; D735-V737 PolarHBondContact OD1-N 2.97Å; D735-P738 HydrophobicContact CB-CB 4.43Å; D735-P738 WeakPolarHBondContact O-CD 3.21Å
736	P	80.3	Confident	76	Confident	28 Å²	28	91.4 Å²	91.4	18%	0.182	47%	0.473	C	S	.	.	S	Bend	trans	-71.9	-13.6	-175	30.7	-37	0	0	0	113.6	N707 K710 E711 F714 A734	N707-P736 WeakPolarHBondContact OD1-CD 3.31Å; N707-P736 WeakPolarHBondContact OD1-CG 3.35Å; K710-P736 HydrophobicContact CB-CB 3.76Å; K710-P736 HydrophobicContact CB-CG 3.92Å; K710-P736 HydrophobicContact CD-CB 3.78Å; K710-P736 HydrophobicContact CG-CB 4.45Å; K710-P736 PolarHBondContact NZ-O 3.11Å; E711-P736 HydrophobicContact CG-CG 4.04Å; F714-P736 HydrophobicContact CE2-CB 3.98Å; A734-P736 WeakPolarHBondContact O-CD 3.03Å; A734-P736 VanDerWaalsContact O-N 3.13Å
737	V	85.5	Confident	77.5	Confident	11 Å²	11	89.5 Å²	89.5	7%	0.067	46%	0.464	C	S	.	.			trans	-140.8	74.2	176	-170.4	0	0	0	0	109.3	A703 E706 N707 K710 D735 E739	A703-V737 HydrophobicContact CB-CG1 4.23Å; E706-V737 HydrophobicContact CB-CG2 4.14Å; E706-V737 HydrophobicContact CG-CG2 3.76Å; E706-V737 WeakPolarHBondContact OE1-CG2 3.4Å; N707-V737 HydrophobicContact CB-CB 4.01Å; N707-V737 HydrophobicContact CB-CG2 4.02Å; K710-V737 HydrophobicContact CD-CG2 4.18Å; D735-V737 PolarHBondContact O-N 3.45Å; D735-V737 PolarHBondContact OD1-N 2.97Å; V737-E739 VanDerWaalsContact C-N 3.26Å; V737-E739 PolarHBondContact O-N 3.47Å
738	P	86.5	Confident	79.5	Confident	78 Å²	78	80 Å²	80	51%	0.506	42%	0.42	S	S	.	.			trans	-72.9	-19.8	-173.8	29.7	-34.8	0	0	0	113.2	P670 D735	P670-P738 WeakPolarHBondContact CB-O 3.32Å; P670-P738 WeakPolarHBondContact CG-O 3.04Å; D735-P738 HydrophobicContact CB-CB 4.43Å; D735-P738 WeakPolarHBondContact O-CD 3.21Å
739	E	92.8	Very high	81.3	Confident	87 Å²	87	78.8 Å²	78.8	41%	0.407	41%	0.414	S	S	.	.	S	Bend	trans	-135.4	145.7	-172.9	-62.9	-178.7	169.2	0	0	111.8	A672 V737 R741	A672-E739 VanDerWaalsContact CA-OE2 3.31Å; A672-E739 WeakPolarHBondContact CA-OE2 3.45Å; A672-E739 HydrophobicContact CB-CB 4.03Å; V737-E739 VanDerWaalsContact C-N 3.26Å; V737-E739 PolarHBondContact O-N 3.47Å; E739-R741 PolarHBondContact O-N 3.27Å
740	L	93.4	Very high	83.3	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.026	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-75.7	105.4	171.7	-174.1	66.4	0	0	0	110.1	L666 T669 P670 L671 A672 V675 A699 A703 H744 F745	L666-L740 HydrophobicContact CD2-CD2 3.96Å; T669-L740 HydrophobicContact CG2-CB 4.2Å; T669-L740 HydrophobicContact CG2-CD2 4.05Å; P670-L740 WeakPolarHBondContact O-CB 3.24Å; P670-L740 PolarHBondContact O-N 3.32Å; L671-L740 HydrophobicContact CD1-CB 4.23Å; L671-L740 HydrophobicContact CD1-CD2 4.17Å; L671-L740 HydrophobicContact CD1-CG 4.41Å; A672-L740 WeakPolarHBondContact CB-O 3.4Å; A672-L740 PolarHBondContact N-O 3.02Å; V675-L740 WeakPolarHBondContact CG2-O 3.2Å; A699-L740 HydrophobicContact CB-CD1 4.04Å; A699-L740 HydrophobicContact CB-CD2 4.24Å; A699-L740 WeakPolarHBondContact O-CD1 3.43Å; A703-L740 HydrophobicContact CB-CD1 3.7Å; L740-H744 HydrophobicContact CD1-CB 3.97Å; L740-F745 HydrophobicContact CD2-CE2 3.45Å; L740-F745 VanDerWaalsContact CD2-CE2 3.45Å; L740-F745 HydrophobicContact CD2-CZ 3.44Å; L740-F745 VanDerWaalsContact CD2-CZ 3.44Å; L740-F745 HydrophobicContact CG-CD2 4.47Å; L740-F745 HydrophobicContact CG-CE2 3.7Å; L740-F745 HydrophobicContact CG-CZ 4.21Å
741	R	94.2	Very high	85	Confident	65 Å²	65	76 Å²	76	25%	0.245	39%	0.39	C	S	.	.			trans	-84	167.3	-176.9	-58.3	-171.8	-47.5	-92.3	-1.1	115.2	A672 E706 E739 D743 H744	A672-R741 HydrophobicContact CB-CG 4.27Å; E706-R741 VanDerWaalsContact CD-NH2 3.31Å; E706-R741 IonicContact OE1-CZ 3.25Å; E706-R741 IonicContact OE1-NH1 3.59Å; E706-R741 PolarHBondContact OE1-NH1 3.32Å; E706-R741 IonicContact OE1-NH2 2.92Å; E706-R741 PolarHBondContact OE1-NH2 3.04Å; E706-R741 VanDerWaalsContact OE1-NH2 3.16Å; E706-R741 IonicContact OE2-CZ 3.51Å; E706-R741 IonicContact OE2-NH1 3.22Å; E706-R741 PolarHBondContact OE2-NH1 3.48Å; E706-R741 IonicContact OE2-NH2 2.77Å; E706-R741 PolarHBondContact OE2-NH2 3.37Å; E739-R741 PolarHBondContact O-N 3.27Å; R741-D743 WeakPolarHBondContact CB-OD1 3.38Å; R741-D743 IonicContact CZ-OD1 2.65Å; R741-D743 IonicContact CZ-OD2 3.46Å; R741-D743 IonicContact NE-OD1 3.58Å; R741-D743 PolarHBondContact NE-OD1 2.9Å; R741-D743 IonicContact NE-OD2 3.12Å; R741-D743 PolarHBondContact NE-OD2 3.27Å; R741-D743 IonicContact NH2-OD1 3.63Å; R741-D743 IonicContact NH2-OD2 2.79Å; R741-D743 PolarHBondContact NH2-OD2 3.23Å; R741-H744 VanDerWaalsContact CZ-CE1 3.45Å; R741-H744 PolarHBondContact N-ND1 3.44Å; R741-H744 VanDerWaalsContact N-ND1 3.16Å; R741-H744 PolarHBondContact NH2-NE2 3.22Å; R741-H744 PolarHBondContact O-N 3.16Å
742	K	94.6	Very high	86.6	Confident	99 Å²	99	69.2 Å²	69.2	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-40.2	179.6	-177.7	-177.8	174.5	-170.1	0	114.4	D674 V675 H744 F745 E746	D674-K742 WeakPolarHBondContact OD2-CB 3.39Å; V675-K742 HydrophobicContact CG2-CB 4.4Å; K742-H744 VanDerWaalsContact C-N 3.29Å; K742-H744 PolarHBondContact O-N 3.07Å; K742-F745 WeakPolarHBondContact O-CB 3.31Å; K742-F745 PolarHBondContact O-N 3.41Å; K742-E746 VanDerWaalsContact CE-OE1 3.23Å; K742-E746 WeakPolarHBondContact CE-OE1 3.49Å; K742-E746 IonicContact NZ-OE1 2.77Å; K742-E746 PolarHBondContact O-N 3.05Å
743	D	93.9	Very high	88.2	Confident	73 Å²	73	70.3 Å²	70.3	39%	0.39	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-36.9	178.2	56.6	-18.5	0	0	0	112.7	R741 F745 E746 E747	R741-D743 WeakPolarHBondContact CB-OD1 3.38Å; R741-D743 IonicContact CZ-OD1 2.65Å; R741-D743 IonicContact CZ-OD2 3.46Å; R741-D743 IonicContact NE-OD1 3.58Å; R741-D743 PolarHBondContact NE-OD1 2.9Å; R741-D743 IonicContact NE-OD2 3.12Å; R741-D743 PolarHBondContact NE-OD2 3.27Å; R741-D743 IonicContact NH2-OD1 3.63Å; R741-D743 IonicContact NH2-OD2 2.79Å; R741-D743 PolarHBondContact NH2-OD2 3.23Å; D743-F745 VanDerWaalsContact C-N 3.31Å; D743-F745 PolarHBondContact O-N 3.2Å; D743-E746 PolarHBondContact O-N 3.45Å; D743-E747 PolarHBondContact O-N 3.26Å
744	H	95.1	Very high	89.7	Confident	7 Å²	7	70.3 Å²	70.3	3%	0.032	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-38.9	173.2	-55.7	124.8	0	0	0	112.7	A699 L702 E706 L740 R741 K742 A748	A699-H744 HydrophobicContact CB-CB 4.17Å; L702-H744 HydrophobicContact CB-CB 4.45Å; L702-H744 WeakPolarHBondContact CD1-O 3.46Å; E706-H744 IonicContact OE2-CE1 3.15Å; E706-H744 IonicContact OE2-NE2 3.04Å; E706-H744 PolarHBondContact OE2-NE2 3.31Å; L740-H744 HydrophobicContact CD1-CB 3.97Å; R741-H744 VanDerWaalsContact CZ-CE1 3.45Å; R741-H744 PolarHBondContact N-ND1 3.44Å; R741-H744 VanDerWaalsContact N-ND1 3.16Å; R741-H744 PolarHBondContact NH2-NE2 3.22Å; R741-H744 PolarHBondContact O-N 3.16Å; K742-H744 VanDerWaalsContact C-N 3.29Å; K742-H744 PolarHBondContact O-N 3.07Å; H744-A748 VanDerWaalsContact O-CB 3.24Å; H744-A748 WeakPolarHBondContact O-CB 3.3Å; H744-A748 PolarHBondContact O-N 2.88Å
745	F	95.1	Very high	90.7	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-71.8	-38.3	176.5	-78.2	-78.1	0	0	0	112	L666 L671 V675 L680 V695 A699 L740 K742 D743 E747 A748 M749	L666-F745 HydrophobicContact CD1-CE1 4.31Å; L666-F745 HydrophobicContact CD1-CZ 3.7Å; L666-F745 HydrophobicContact CD2-CZ 4.16Å; L671-F745 HydrophobicContact CD1-CE2 3.8Å; L671-F745 HydrophobicContact CD1-CZ 4.21Å; V675-F745 HydrophobicContact CG1-CD2 3.78Å; V675-F745 HydrophobicContact CG1-CE2 3.71Å; V675-F745 HydrophobicContact CG1-CZ 4.49Å; V675-F745 HydrophobicContact CG2-CD2 4.17Å; V675-F745 HydrophobicContact CG2-CE2 4.2Å; L680-F745 HydrophobicContact CD1-CB 4.36Å; L680-F745 HydrophobicContact CD1-CD1 3.68Å; L680-F745 HydrophobicContact CD1-CE1 4.07Å; L680-F745 HydrophobicContact CD1-CG 3.98Å; L680-F745 HydrophobicContact CD2-CB 4.45Å; V695-F745 HydrophobicContact CG1-CD1 4.35Å; A699-F745 HydrophobicContact CB-CD1 3.78Å; A699-F745 HydrophobicContact CB-CD2 4.32Å; A699-F745 HydrophobicContact CB-CE1 3.8Å; A699-F745 HydrophobicContact CB-CE2 4.33Å; A699-F745 HydrophobicContact CB-CG 4.05Å; A699-F745 HydrophobicContact CB-CZ 4.08Å; L740-F745 HydrophobicContact CD2-CE2 3.45Å; L740-F745 VanDerWaalsContact CD2-CE2 3.45Å; L740-F745 HydrophobicContact CD2-CZ 3.44Å; L740-F745 VanDerWaalsContact CD2-CZ 3.44Å; L740-F745 HydrophobicContact CG-CD2 4.47Å; L740-F745 HydrophobicContact CG-CE2 3.7Å; L740-F745 HydrophobicContact CG-CZ 4.21Å; K742-F745 WeakPolarHBondContact O-CB 3.31Å; K742-F745 PolarHBondContact O-N 3.41Å; D743-F745 VanDerWaalsContact C-N 3.31Å; D743-F745 PolarHBondContact O-N 3.2Å; F745-E747 VanDerWaalsContact C-N 3.32Å; F745-E747 PolarHBondContact O-N 3.28Å; F745-A748 PolarHBondContact O-N 3.43Å; F745-M749 WeakPolarHBondContact O-CB 3.48Å; F745-M749 VanDerWaalsContact O-CG 3.25Å; F745-M749 WeakPolarHBondContact O-CG 3.45Å; F745-M749 PolarHBondContact O-N 2.91Å
746	E	94.2	Very high	91.1	Very high	107 Å²	107	65.7 Å²	65.7	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-43.3	175.2	-69.5	-179.8	174	0	0	111.2	K742 D743 R750	K742-E746 VanDerWaalsContact CE-OE1 3.23Å; K742-E746 WeakPolarHBondContact CE-OE1 3.49Å; K742-E746 IonicContact NZ-OE1 2.77Å; K742-E746 PolarHBondContact O-N 3.05Å; D743-E746 PolarHBondContact O-N 3.45Å; E746-R750 PolarHBondContact O-N 3.02Å
747	E	93.3	Very high	91.6	Very high	61 Å²	61	66.8 Å²	66.8	29%	0.285	31%	0.313	S	S	.	.	H	α-helix	trans	-70.1	-40	176.1	-171.5	63.3	-148.8	0	0	112	L702 D743 F745 M749 R750	L702-E747 HydrophobicContact CD1-CB 3.64Å; L702-E747 HydrophobicContact CD1-CG 3.65Å; L702-E747 HydrophobicContact CD2-CG 4.37Å; D743-E747 PolarHBondContact O-N 3.26Å; F745-E747 VanDerWaalsContact C-N 3.32Å; F745-E747 PolarHBondContact O-N 3.28Å; E747-M749 VanDerWaalsContact C-N 3.32Å; E747-M749 PolarHBondContact O-N 3.34Å; E747-R750 WeakPolarHBondContact O-CB 3.21Å; E747-R750 PolarHBondContact O-N 3.18Å; E747-R750 IonicContact OE1-NH1 3.78Å; E747-R750 IonicContact OE2-CZ 3.69Å; E747-R750 IonicContact OE2-NE 2.74Å; E747-R750 IonicContact OE2-NH1 3.56Å; E747-R750 PolarHBondContact OE2-NH1 3.05Å; E747-R750 IonicContact OE2-NH2 3.77Å
748	A	94.1	Very high	91.8	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-42.4	174.7	0	0	0	0	0	111.9	V695 R698 A699 H744 F745 R750 F751 A752	V695-A748 HydrophobicContact CG1-CB 4.34Å; R698-A748 HydrophobicContact CB-CB 3.73Å; A699-A748 HydrophobicContact CB-CB 4.1Å; H744-A748 VanDerWaalsContact O-CB 3.24Å; H744-A748 WeakPolarHBondContact O-CB 3.3Å; H744-A748 PolarHBondContact O-N 2.88Å; F745-A748 PolarHBondContact O-N 3.43Å; A748-R750 PolarHBondContact O-N 3.37Å; A748-F751 PolarHBondContact O-N 2.98Å; A748-A752 PolarHBondContact O-N 3.45Å
749	M	92.6	Very high	91.9	Very high	51 Å²	51	71.8 Å²	71.8	25%	0.251	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-25.5	179.7	-78.5	-65.1	-67.2	0	0	113.4	L680 T684 V695 F745 E747 F751 A752	L680-M749 HydrophobicContact CD2-CG 4.21Å; T684-M749 HydrophobicContact CG2-CE 3.92Å; T684-M749 HydrophobicContact CG2-SD 4.07Å; V695-M749 HydrophobicContact CG1-CG 4.29Å; V695-M749 HydrophobicContact CG1-SD 3.85Å; V695-M749 HydrophobicContact CG2-SD 4.1Å; F745-M749 WeakPolarHBondContact O-CB 3.48Å; F745-M749 VanDerWaalsContact O-CG 3.25Å; F745-M749 WeakPolarHBondContact O-CG 3.45Å; F745-M749 PolarHBondContact O-N 2.91Å; E747-M749 VanDerWaalsContact C-N 3.32Å; E747-M749 PolarHBondContact O-N 3.34Å; M749-F751 PolarHBondContact O-N 3.28Å; M749-A752 WeakPolarHBondContact O-CB 3.33Å; M749-A752 PolarHBondContact O-N 3.07Å; M749-A752 HydrophobicContact SD-CB 4.14Å
750	R	91.9	Very high	91.6	Very high	181 Å²	181	70.1 Å²	70.1	68%	0.683	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.1	176	-68.4	-177.7	-179.5	164.3	8.6	113.4	E746 E747 A748	E746-R750 PolarHBondContact O-N 3.02Å; E747-R750 WeakPolarHBondContact O-CB 3.21Å; E747-R750 PolarHBondContact O-N 3.18Å; E747-R750 IonicContact OE1-NH1 3.78Å; E747-R750 IonicContact OE2-CZ 3.69Å; E747-R750 IonicContact OE2-NE 2.74Å; E747-R750 IonicContact OE2-NH1 3.56Å; E747-R750 PolarHBondContact OE2-NH1 3.05Å; E747-R750 IonicContact OE2-NH2 3.77Å; A748-R750 PolarHBondContact O-N 3.37Å
751	F	88.6	Confident	91.3	Very high	111 Å²	111	71.3 Å²	71.3	49%	0.487	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	5.1	-178.7	-60.4	-83.6	0	0	0	113.2	R698 A748 M749	R698-F751 VanDerWaalsContact CZ-CB 3.42Å; A748-F751 PolarHBondContact O-N 2.98Å; M749-F751 PolarHBondContact O-N 3.28Å
752	A	87.9	Confident	91	Very high	25 Å²	25	75.6 Å²	75.6	21%	0.207	35%	0.351	C	S	.	.			trans	-62.3	135	179.9	0	0	0	0	0	110.8	F687 V695 A748 M749	F687-A752 HydrophobicContact CE1-CB 3.87Å; F687-A752 HydrophobicContact CZ-CB 3.85Å; V695-A752 HydrophobicContact CG2-CB 3.86Å; A748-A752 PolarHBondContact O-N 3.45Å; M749-A752 WeakPolarHBondContact O-CB 3.33Å; M749-A752 PolarHBondContact O-N 3.07Å; M749-A752 HydrophobicContact SD-CB 4.14Å
753	R	88.3	Confident	90.7	Very high	210 Å²	210	76.6 Å²	76.6	79%	0.792	36%	0.356	S	S	*	.			trans	-125.5	141.6	178.8	-66.3	-177.5	-179.3	-174.2	-0.8	109.9
754	R	91.4	Very high	90.4	Very high	104 Å²	104	74.4 Å²	74.4	39%	0.392	34%	0.342	S	S	.	.			trans	-84.2	121.9	169.9	-67.8	177	59.2	-162	-6.8	108.7	G686 F687 D758	G686-R754 PolarHBondContact O-NE 3.37Å; F687-R754 HydrophobicContact CD2-CG 3.6Å; F687-R754 HydrophobicContact CE2-CG 3.4Å; F687-R754 HydrophobicContact CG-CG 4.49Å; F687-R754 HydrophobicContact CZ-CG 4.15Å; R754-D758 IonicContact CZ-OD1 3.95Å; R754-D758 IonicContact NH1-OD1 3.23Å; R754-D758 IonicContact NH1-OD2 3.77Å; R754-D758 IonicContact NH2-OD1 3.53Å; R754-D758 PolarHBondContact NH2-OD1 2.91Å
755	S	89.9	Confident	90	Very high	66 Å²	66	78.4 Å²	78.4	46%	0.462	36%	0.361	S	S	.	.	S	Bend	trans	-78.6	-25.3	177	49.8	0	0	0	0	113.1	S688 D691	S688-S755 PolarHBondContact OG-OG 3.07Å; D691-S755 WeakPolarHBondContact OD1-CB 3.37Å; D691-S755 PolarHBondContact OD1-N 2.93Å; D691-S755 PolarHBondContact OD1-OG 3.5Å; D691-S755 PolarHBondContact OD2-N 3.24Å; D691-S755 VanDerWaalsContact OD2-N 3.1Å; D691-S755 PolarHBondContact OD2-OG 3.35Å
756	V	90	Very high	89.6	Confident	5 Å²	5	83.5 Å²	83.5	3%	0.03	39%	0.386	C	S	.	.	S	Bend	trans	-109	122.6	-175.7	-172.6	0	0	0	0	110.5	P524 P525 L652 D760 I761	P524-V756 HydrophobicContact CB-CG1 4.02Å; P524-V756 HydrophobicContact CB-CG2 3.71Å; P525-V756 HydrophobicContact CG-CG2 4.3Å; L652-V756 HydrophobicContact CD1-CB 4.33Å; L652-V756 HydrophobicContact CD1-CG1 4.21Å; L652-V756 HydrophobicContact CD2-CB 4.36Å; L652-V756 HydrophobicContact CD2-CG2 4.13Å; V756-D760 HydrophobicContact CG1-CB 4.36Å; V756-I761 HydrophobicContact CG1-CG1 3.83Å
757	S	90.2	Very high	89.2	Confident	51 Å²	51	80.6 Å²	80.6	36%	0.357	37%	0.372	S	S	.	.			trans	-80.2	152.3	177.4	82.2	0	0	0	0	111.7	N759 D760 I761	S757-N759 PolarHBondContact O-N 3.45Å; S757-D760 PolarHBondContact O-N 3.47Å; S757-D760 PolarHBondContact OG-N 3.01Å; S757-D760 PolarHBondContact OG-OD2 2.8Å; S757-I761 WeakPolarHBondContact O-CG1 3.12Å; S757-I761 PolarHBondContact O-N 3.41Å; S757-I761 VanDerWaalsContact O-N 3.13Å
758	D	89.5	Confident	88.7	Confident	88 Å²	88	78.2 Å²	78.2	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-28.1	177.4	-60.9	-29.7	0	0	0	112.5	R754 R762	R754-D758 IonicContact CZ-OD1 3.95Å; R754-D758 IonicContact NH1-OD1 3.23Å; R754-D758 IonicContact NH1-OD2 3.77Å; R754-D758 IonicContact NH2-OD1 3.53Å; R754-D758 PolarHBondContact NH2-OD1 2.91Å; D758-R762 WeakPolarHBondContact O-CG 3.34Å; D758-R762 PolarHBondContact O-N 3.23Å
759	N	89.2	Confident	88.2	Confident	106 Å²	106	83.4 Å²	83.4	57%	0.567	39%	0.387	S	S	*	.	H	α-helix	trans	-67.5	-37.2	174.5	-74.6	-23.4	0	0	0	112.1	S757 K763	S757-N759 PolarHBondContact O-N 3.45Å; N759-K763 PolarHBondContact O-N 3.16Å
760	D	86.6	Confident	87.7	Confident	53 Å²	53	84.3 Å²	84.3	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-74.1	-36.4	178.5	-60.1	-44.5	0	0	0	111.3	V756 S757 R762 K763 Y764	V756-D760 HydrophobicContact CG1-CB 4.36Å; S757-D760 PolarHBondContact O-N 3.47Å; S757-D760 PolarHBondContact OG-N 3.01Å; S757-D760 PolarHBondContact OG-OD2 2.8Å; D760-R762 VanDerWaalsContact C-N 3.3Å; D760-R762 PolarHBondContact O-N 3.33Å; D760-K763 WeakPolarHBondContact O-CB 3.39Å; D760-K763 PolarHBondContact O-N 3.46Å; D760-K763 VanDerWaalsContact O-N 3.08Å; D760-K763 IonicContact OD1-NZ 3.65Å; D760-K763 PolarHBondContact OD1-NZ 3.26Å; D760-Y764 HydrophobicContact CB-CE2 4.29Å; D760-Y764 WeakPolarHBondContact O-CD2 3.42Å; D760-Y764 PolarHBondContact O-N 2.9Å; D760-Y764 VanDerWaalsContact O-N 3.12Å
761	I	87	Confident	86.9	Confident	30 Å²	30	77 Å²	77	15%	0.154	37%	0.37	C	S	.	.	H	α-helix	trans	-54	-49.3	172.2	-60.1	171.7	0	0	0	110.2	L652 V756 S757 K763 Y764 E765	L652-I761 HydrophobicContact CD1-CD1 3.31Å; L652-I761 HydrophobicContact CD1-CG1 3.6Å; V756-I761 HydrophobicContact CG1-CG1 3.83Å; S757-I761 WeakPolarHBondContact O-CG1 3.12Å; S757-I761 PolarHBondContact O-N 3.41Å; S757-I761 VanDerWaalsContact O-N 3.13Å; I761-K763 VanDerWaalsContact C-N 3.28Å; I761-K763 PolarHBondContact O-N 2.79Å; I761-Y764 PolarHBondContact O-N 2.67Å; I761-Y764 VanDerWaalsContact O-N 3.12Å; I761-E765 HydrophobicContact CG2-CG 4.39Å; I761-E765 PolarHBondContact O-N 3.12Å
762	R	88.6	Confident	86	Confident	154 Å²	154	78.4 Å²	78.4	58%	0.581	38%	0.378	S	S	*	.	H	α-helix	trans	-59.5	-36.6	178	-70.6	176.2	-177.1	173.9	1.4	112.8	D758 D760 E765 M766	D758-R762 WeakPolarHBondContact O-CG 3.34Å; D758-R762 PolarHBondContact O-N 3.23Å; D760-R762 VanDerWaalsContact C-N 3.3Å; D760-R762 PolarHBondContact O-N 3.33Å; R762-E765 PolarHBondContact O-N 2.68Å; R762-M766 HydrophobicContact CB-CE 4.26Å; R762-M766 WeakPolarHBondContact O-CB 3.28Å; R762-M766 WeakPolarHBondContact O-CE 3.22Å; R762-M766 VanDerWaalsContact O-CG 3.28Å; R762-M766 WeakPolarHBondContact O-CG 3.47Å; R762-M766 PolarHBondContact O-N 2.65Å
763	K	88.1	Confident	85.1	Confident	121 Å²	121	84 Å²	84	53%	0.526	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-44.4	175.9	-67.8	173.5	-168.8	157.2	0	111.3	N759 D760 I761 F767	N759-K763 PolarHBondContact O-N 3.16Å; D760-K763 WeakPolarHBondContact O-CB 3.39Å; D760-K763 PolarHBondContact O-N 3.46Å; D760-K763 VanDerWaalsContact O-N 3.08Å; D760-K763 IonicContact OD1-NZ 3.65Å; D760-K763 PolarHBondContact OD1-NZ 3.26Å; I761-K763 VanDerWaalsContact C-N 3.28Å; I761-K763 PolarHBondContact O-N 2.79Å; K763-F767 WeakPolarHBondContact O-CB 3.26Å; K763-F767 PolarHBondContact O-N 2.93Å
764	Y	88.2	Confident	83.9	Confident	26 Å²	26	80.9 Å²	80.9	10%	0.102	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-41.7	177.4	-65	-61.4	0	0	0	112.3	G523 P524 N629 D760 I761 F767 A768	G523-Y764 VanDerWaalsContact C-CE1 3.47Å; G523-Y764 VanDerWaalsContact O-CE1 3.25Å; G523-Y764 WeakPolarHBondContact O-CE1 3.35Å; G523-Y764 PolarHBondContact O-OH 3.34Å; P524-Y764 HydrophobicContact CB-CD2 4.45Å; P524-Y764 HydrophobicContact CB-CE2 4.01Å; P524-Y764 HydrophobicContact CG-CD2 4.2Å; P524-Y764 HydrophobicContact CG-CE2 4.26Å; N629-Y764 WeakPolarHBondContact O-CE1 3.31Å; N629-Y764 VanDerWaalsContact O-CZ 3.31Å; N629-Y764 PolarHBondContact O-OH 2.75Å; D760-Y764 HydrophobicContact CB-CE2 4.29Å; D760-Y764 WeakPolarHBondContact O-CD2 3.42Å; D760-Y764 PolarHBondContact O-N 2.9Å; D760-Y764 VanDerWaalsContact O-N 3.12Å; I761-Y764 PolarHBondContact O-N 2.67Å; I761-Y764 VanDerWaalsContact O-N 3.12Å; Y764-F767 PolarHBondContact O-N 3.45Å; Y764-A768 WeakPolarHBondContact O-CB 3.47Å; Y764-A768 PolarHBondContact O-N 3.41Å
765	E	85.7	Confident	82.5	Confident	92 Å²	92	83 Å²	83	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-45	176.8	-71.5	178.1	170.8	0	0	111.9	I761 R762 F767 A768 Q769	I761-E765 HydrophobicContact CG2-CG 4.39Å; I761-E765 PolarHBondContact O-N 3.12Å; R762-E765 PolarHBondContact O-N 2.68Å; E765-F767 VanDerWaalsContact C-N 3.32Å; E765-F767 PolarHBondContact O-N 3.35Å; E765-A768 PolarHBondContact O-N 2.97Å; E765-Q769 WeakPolarHBondContact O-CB 3.33Å; E765-Q769 VanDerWaalsContact O-CG 3.32Å; E765-Q769 WeakPolarHBondContact O-CG 3.41Å; E765-Q769 PolarHBondContact O-N 3.45Å
766	M	86.3	Confident	80.8	Confident	110 Å²	110	81 Å²	81	54%	0.542	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-41.8	175.4	-76.2	-173.1	-74	0	0	111.7	R762 Q769 T770	R762-M766 HydrophobicContact CB-CE 4.26Å; R762-M766 WeakPolarHBondContact O-CB 3.28Å; R762-M766 WeakPolarHBondContact O-CE 3.22Å; R762-M766 VanDerWaalsContact O-CG 3.28Å; R762-M766 WeakPolarHBondContact O-CG 3.47Å; R762-M766 PolarHBondContact O-N 2.65Å; M766-Q769 PolarHBondContact O-N 3.49Å; M766-T770 WeakPolarHBondContact O-CB 3.49Å; M766-T770 PolarHBondContact O-N 3.46Å; M766-T770 PolarHBondContact O-OG1 3.48Å
767	F	85.1	Confident	78.8	Confident	47 Å²	47	90.8 Å²	90.8	21%	0.206	43%	0.434	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176	-174.6	-93.9	0	0	0	111.7	Y522 P631 K763 Y764 E765 Q769 T770 L771	Y522-F767 HydrophobicContact CD2-CD1 4.01Å; Y522-F767 HydrophobicContact CD2-CE1 4.26Å; Y522-F767 AromaticContact CE2-CD1 3.75Å; Y522-F767 HydrophobicContact CE2-CD1 3.75Å; Y522-F767 HydrophobicContact CE2-CE1 4.2Å; P631-F767 HydrophobicContact CB-CD1 3.9Å; P631-F767 HydrophobicContact CB-CE1 3.38Å; P631-F767 HydrophobicContact CB-CE2 4.2Å; P631-F767 HydrophobicContact CB-CZ 3.57Å; P631-F767 HydrophobicContact CG-CD1 3.59Å; P631-F767 HydrophobicContact CG-CD2 4.33Å; P631-F767 HydrophobicContact CG-CE1 3.64Å; P631-F767 HydrophobicContact CG-CE2 4.39Å; P631-F767 HydrophobicContact CG-CG 3.95Å; P631-F767 HydrophobicContact CG-CZ 4.08Å; K763-F767 WeakPolarHBondContact O-CB 3.26Å; K763-F767 PolarHBondContact O-N 2.93Å; Y764-F767 PolarHBondContact O-N 3.45Å; E765-F767 VanDerWaalsContact C-N 3.32Å; E765-F767 PolarHBondContact O-N 3.35Å; F767-Q769 PolarHBondContact O-N 2.67Å; F767-T770 PolarHBondContact O-N 2.94Å; F767-L771 HydrophobicContact CD1-CD1 3.71Å; F767-L771 HydrophobicContact CD1-CG 4.41Å; F767-L771 HydrophobicContact CE1-CD1 3.2Å; F767-L771 HydrophobicContact CE1-CG 4.01Å; F767-L771 HydrophobicContact CZ-CD1 3.86Å; F767-L771 HydrophobicContact CZ-CG 4.3Å; F767-L771 PolarHBondContact O-N 2.86Å
768	A	83.2	Confident	77.1	Confident	11 Å²	11	90.6 Å²	90.6	9%	0.091	44%	0.441	C	S	.	.	H	α-helix	trans	-62.6	-40.6	176.7	0	0	0	0	0	112.6	Y522 Y649 Y764 E765 L771 Q772	Y522-A768 HydrophobicContact CE2-CB 4.2Å; Y522-A768 WeakPolarHBondContact OH-CA 3.3Å; Y522-A768 WeakPolarHBondContact OH-CB 3.37Å; Y649-A768 HydrophobicContact CD1-CB 4.5Å; Y649-A768 HydrophobicContact CG-CB 4.48Å; Y764-A768 WeakPolarHBondContact O-CB 3.47Å; Y764-A768 PolarHBondContact O-N 3.41Å; E765-A768 PolarHBondContact O-N 2.97Å; A768-L771 PolarHBondContact O-N 2.81Å; A768-Q772 WeakPolarHBondContact O-CG 3.48Å; A768-Q772 PolarHBondContact O-N 3.16Å
769	Q	83.6	Confident	75.4	Confident	109 Å²	109	92.2 Å²	92.2	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-63.9	-42.6	175.1	-75.2	176.4	8.7	0	0	111.9	E765 M766 F767 L771 Q772 Q773	E765-Q769 WeakPolarHBondContact O-CB 3.33Å; E765-Q769 VanDerWaalsContact O-CG 3.32Å; E765-Q769 WeakPolarHBondContact O-CG 3.41Å; E765-Q769 PolarHBondContact O-N 3.45Å; M766-Q769 PolarHBondContact O-N 3.49Å; F767-Q769 PolarHBondContact O-N 2.67Å; Q769-L771 VanDerWaalsContact C-N 3.32Å; Q769-L771 PolarHBondContact O-N 3.16Å; Q769-Q772 PolarHBondContact O-N 2.85Å; Q769-Q773 WeakPolarHBondContact O-CG 3.43Å; Q769-Q773 PolarHBondContact O-N 3.29Å
770	T	82.1	Confident	73.7	Confident	71 Å²	71	94.6 Å²	94.6	44%	0.436	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-42.5	178.4	-54.7	0	0	0	0	111	M766 F767 Q773 Q774	M766-T770 WeakPolarHBondContact O-CB 3.49Å; M766-T770 PolarHBondContact O-N 3.46Å; M766-T770 PolarHBondContact O-OG1 3.48Å; F767-T770 PolarHBondContact O-N 2.94Å; T770-Q773 PolarHBondContact O-N 3.37Å; T770-Q774 WeakPolarHBondContact O-CG 3.49Å; T770-Q774 PolarHBondContact O-N 2.89Å; T770-Q774 VanDerWaalsContact O-N 3.07Å
771	L	75.1	Confident	72.8	Confident	26 Å²	26	98.7 Å²	98.7	14%	0.136	48%	0.482	C	S	.	.	H	α-helix	trans	-65.4	-40.9	176.1	-77.1	172.4	0	0	0	113.1	Y522 L647 F767 A768 Q769 Q773 Q774 R775	Y522-L771 HydrophobicContact CE1-CD1 4.25Å; L647-L771 HydrophobicContact CD2-CD1 3.52Å; L647-L771 HydrophobicContact CD2-CD2 3.94Å; L647-L771 HydrophobicContact CD2-CG 4.4Å; F767-L771 HydrophobicContact CD1-CD1 3.71Å; F767-L771 HydrophobicContact CD1-CG 4.41Å; F767-L771 HydrophobicContact CE1-CD1 3.2Å; F767-L771 HydrophobicContact CE1-CG 4.01Å; F767-L771 HydrophobicContact CZ-CD1 3.86Å; F767-L771 HydrophobicContact CZ-CG 4.3Å; F767-L771 PolarHBondContact O-N 2.86Å; A768-L771 PolarHBondContact O-N 2.81Å; Q769-L771 VanDerWaalsContact C-N 3.32Å; Q769-L771 PolarHBondContact O-N 3.16Å; L771-Q773 VanDerWaalsContact C-N 3.34Å; L771-Q774 PolarHBondContact O-N 3.25Å; L771-R775 PolarHBondContact O-N 3.03Å
772	Q	71.3	Confident	71.8	Confident	142 Å²	142	108.1 Å²	108.1	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-64.9	-39.3	176	-76.1	-176.3	-5.5	0	0	111.8	A768 Q769 Q774 R775 G776	A768-Q772 WeakPolarHBondContact O-CG 3.48Å; A768-Q772 PolarHBondContact O-N 3.16Å; Q769-Q772 PolarHBondContact O-N 2.85Å; Q772-Q774 PolarHBondContact O-N 3.44Å; Q772-R775 PolarHBondContact O-N 3.02Å; Q772-G776 PolarHBondContact O-N 2.91Å
773	Q	67.6	Low	70.9	Confident	143 Å²	143	108.7 Å²	108.7	67%	0.668	52%	0.523	S	S	*	.	H	α-helix	trans	-63.9	-39.8	176	-73.2	176.5	13.4	0	0	112	Q769 T770 L771 R775 G776	Q769-Q773 WeakPolarHBondContact O-CG 3.43Å; Q769-Q773 PolarHBondContact O-N 3.29Å; T770-Q773 PolarHBondContact O-N 3.37Å; L771-Q773 VanDerWaalsContact C-N 3.34Å; Q773-R775 VanDerWaalsContact C-N 3.25Å; Q773-R775 PolarHBondContact O-N 2.88Å; Q773-G776 PolarHBondContact O-N 2.77Å
774	Q	64.4	Low	69.7	Low	144 Å²	144	108.1 Å²	108.1	67%	0.673	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-27.6	175.6	-73.2	179.4	-5	0	0	113.1	T770 L771 Q772	T770-Q774 WeakPolarHBondContact O-CG 3.49Å; T770-Q774 PolarHBondContact O-N 2.89Å; T770-Q774 VanDerWaalsContact O-N 3.07Å; L771-Q774 PolarHBondContact O-N 3.25Å; Q772-Q774 PolarHBondContact O-N 3.44Å
775	R	61.4	Low	68.1	Low	147 Å²	147	110.3 Å²	110.3	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-87.1	-18.1	174.7	-69.7	-176.5	171	-166.5	-7	113.8	D645 L771 Q772 Q773 F777	D645-R775 PolarHBondContact O-NH2 3.35Å; L771-R775 PolarHBondContact O-N 3.03Å; Q772-R775 PolarHBondContact O-N 3.02Å; Q773-R775 VanDerWaalsContact C-N 3.25Å; Q773-R775 PolarHBondContact O-N 2.88Å; R775-F777 PolarHBondContact O-N 3Å
776	G	53.8	Low	66.7	Low	24 Å²	24	111.2 Å²	111.2	25%	0.247	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-85	3.7	-164.1	0	0	0	0	0	117.5	Q772 Q773 G778 T779	Q772-G776 PolarHBondContact O-N 2.91Å; Q773-G776 PolarHBondContact O-N 2.77Å; G776-G778 PolarHBondContact O-N 3.39Å; G776-T779 PolarHBondContact O-N 3.27Å; G776-T779 VanDerWaalsContact O-N 3.11Å; G776-T779 PolarHBondContact O-OG1 3.03Å
777	F	48.2	Very low	65.4	Low	211 Å²	211	113.2 Å²	113.2	93%	0.925	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-59.4	-19.9	-175.3	-125	-87.5	0	0	0	113.8	R775	R775-F777 PolarHBondContact O-N 3Å
778	G	53.8	Low	63.8	Low	48 Å²	48	116.4 Å²	116.4	50%	0.495	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-92.7	1.1	179.8	0	0	0	0	0	116.4	G776 N780 F781	G776-G778 PolarHBondContact O-N 3.39Å; G778-N780 PolarHBondContact O-N 2.91Å; G778-F781 WeakPolarHBondContact O-CB 3.48Å; G778-F781 PolarHBondContact O-N 3.33Å
779	T	53.8	Low	62	Low	121 Å²	121	123.6 Å²	123.6	74%	0.742	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-22.6	-172.9	44.1	0	0	0	0	114.4	G776	G776-T779 PolarHBondContact O-N 3.27Å; G776-T779 VanDerWaalsContact O-N 3.11Å; G776-T779 PolarHBondContact O-OG1 3.03Å
780	N	53.2	Low	60.3	Low	156 Å²	156	123.2 Å²	123.2	83%	0.834	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	9.2	175.1	-71.8	-23.3	0	0	0	114.2	G778 R782	G778-N780 PolarHBondContact O-N 2.91Å; N780-R782 PolarHBondContact O-N 3.26Å
781	F	68.1	Low	58.3	Low	139 Å²	139	123.3 Å²	123.3	61%	0.61	67%	0.668	S	S	*	*			trans	-71.2	120.4	178.3	-177.9	-94.2	0	0	0	110.5	G778 F783	G778-F781 WeakPolarHBondContact O-CB 3.48Å; G778-F781 PolarHBondContact O-N 3.33Å; F781-F783 HydrophobicContact CE1-CD1 4.25Å; F781-F783 AromaticContact CE1-CD2 3.95Å; F781-F783 HydrophobicContact CE1-CD2 3.95Å; F781-F783 HydrophobicContact CE1-CE1 4.07Å; F781-F783 AromaticContact CE1-CE2 3.76Å; F781-F783 HydrophobicContact CE1-CE2 3.76Å; F781-F783 HydrophobicContact CE1-CG 4.2Å; F781-F783 AromaticContact CE1-CZ 3.82Å; F781-F783 HydrophobicContact CE1-CZ 3.82Å; F781-F783 HydrophobicContact CZ-CD1 4.07Å; F781-F783 AromaticContact CZ-CE1 3.87Å; F781-F783 HydrophobicContact CZ-CE1 3.87Å; F781-F783 HydrophobicContact CZ-CE2 4.39Å; F781-F783 HydrophobicContact CZ-CG 4.41Å; F781-F783 HydrophobicContact CZ-CZ 4.04Å
782	R	66.8	Low	56.6	Low	228 Å²	228	133.4 Å²	133.4	86%	0.86	70%	0.704	S	S	*	*			trans	-126.8	139.5	163.7	-81.5	-174.7	173.3	-179	-1.7	108.4	N780	N780-R782 PolarHBondContact O-N 3.26Å
783	F	68.4	Low	55.2	Low	166 Å²	166	135.7 Å²	135.7	73%	0.728	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62.9	140	165.7	-74.6	-75.7	0	0	0	109.1	F781 S785	F781-F783 HydrophobicContact CE1-CD1 4.25Å; F781-F783 AromaticContact CE1-CD2 3.95Å; F781-F783 HydrophobicContact CE1-CD2 3.95Å; F781-F783 HydrophobicContact CE1-CE1 4.07Å; F781-F783 AromaticContact CE1-CE2 3.76Å; F781-F783 HydrophobicContact CE1-CE2 3.76Å; F781-F783 HydrophobicContact CE1-CG 4.2Å; F781-F783 AromaticContact CE1-CZ 3.82Å; F781-F783 HydrophobicContact CE1-CZ 3.82Å; F781-F783 HydrophobicContact CZ-CD1 4.07Å; F781-F783 AromaticContact CZ-CE1 3.87Å; F781-F783 HydrophobicContact CZ-CE1 3.87Å; F781-F783 HydrophobicContact CZ-CE2 4.39Å; F781-F783 HydrophobicContact CZ-CG 4.41Å; F781-F783 HydrophobicContact CZ-CZ 4.04Å; F783-S785 PolarHBondContact O-N 3.47Å
784	P	64.2	Low	54.1	Low	110 Å²	110	134.6 Å²	134.6	71%	0.714	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.6	169.3	22.1	-28.7	0	0	0	109.2
785	S	53.3	Low	53	Low	71 Å²	71	134.8 Å²	134.8	50%	0.497	72%	0.721	S	S	.	*	P	Polyproline II helix	trans	-69.7	143.8	172	-22.9	0	0	0	0	108.3	F783 D787 D788	F783-S785 PolarHBondContact O-N 3.47Å; S785-D787 PolarHBondContact O-N 3.23Å; S785-D788 PolarHBondContact O-N 2.98Å; S785-D788 VanDerWaalsContact O-N 3.09Å
786	A	57.3	Low	52.1	Low	111 Å²	111	135.9 Å²	135.9	92%	0.917	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-6.3	176.3	0	0	0	0	0	114.3
787	D	58.3	Low	51.5	Low	153 Å²	153	140.2 Å²	140.2	82%	0.818	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-1.7	178.4	-66.6	-36	0	0	0	114.3	S785 D789	S785-D787 PolarHBondContact O-N 3.23Å; D787-D789 PolarHBondContact O-N 2.87Å; D787-D789 VanDerWaalsContact O-N 3.17Å
788	D	51.8	Low	51.2	Low	114 Å²	114	137.8 Å²	137.8	61%	0.61	75%	0.752	S	S	*	*			trans	-88	68.1	175.1	-82.8	-36.3	0	0	0	111.5	S785 S790	S785-D788 PolarHBondContact O-N 2.98Å; S785-D788 VanDerWaalsContact O-N 3.09Å; D788-S790 VanDerWaalsContact C-N 3.25Å; D788-S790 PolarHBondContact O-N 3.3Å
789	D	46.4	Very low	50.4	Low	161 Å²	161	138.6 Å²	138.6	86%	0.861	76%	0.76	S	S	*	*			trans	-89	26.8	174.6	-155.3	19.9	0	0	0	113.1	D787	D787-D789 PolarHBondContact O-N 2.87Å; D787-D789 VanDerWaalsContact O-N 3.17Å
790	S	47.3	Very low	49.7	Very low	101 Å²	101	140 Å²	140	71%	0.706	76%	0.763	S	S	*	*			trans	-100.4	92.4	170	65.4	0	0	0	0	110.3	D788 R792	D788-S790 VanDerWaalsContact C-N 3.25Å; D788-S790 PolarHBondContact O-N 3.3Å; S790-R792 PolarHBondContact O-N 3.36Å; S790-R792 VanDerWaalsContact O-N 3.16Å
791	G	39.6	Very low	49.1	Very low	74 Å²	74	141.7 Å²	141.7	76%	0.763	77%	0.766	S	S	*	*			trans	-53	116.1	173.1	0	0	0	0	0	112.8
792	R	39.3	Very low	47.8	Very low	238 Å²	238	143.9 Å²	143.9	90%	0.898	78%	0.778	S	S	*	*			trans	-169.6	84.9	149.9	-107.3	174.4	-176.2	-174.1	1.2	108.1	S790 P794	S790-R792 PolarHBondContact O-N 3.36Å; S790-R792 VanDerWaalsContact O-N 3.16Å; R792-P794 WeakPolarHBondContact O-CD 3.47Å
793	F	42.9	Very low	46.6	Very low	189 Å²	189	142.2 Å²	142.2	83%	0.829	78%	0.78	S	S	*	*			trans	-76.9	122.3	157.4	-77.5	-82.8	0	0	0	107.6	I795	F793-I795 VanDerWaalsContact C-N 3.32Å; F793-I795 HydrophobicContact CB-CG1 4.35Å; F793-I795 PolarHBondContact O-N 3.3Å; F793-I795 VanDerWaalsContact O-N 3.15Å
794	P	44	Very low	45.4	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	78%	0.781	S	S	*	*			trans	-75.3	95.4	157	27.8	-20.3	0	0	0	106.6	R792 E796	R792-P794 WeakPolarHBondContact O-CD 3.47Å; P794-E796 PolarHBondContact O-N 2.98Å
795	I	42	Very low	44.8	Very low	148 Å²	148	143.5 Å²	143.5	76%	0.759	79%	0.788	S	S	*	*			trans	-76	100.9	158	-60.5	173.4	0	0	0	104.3	F793	F793-I795 VanDerWaalsContact C-N 3.32Å; F793-I795 HydrophobicContact CB-CG1 4.35Å; F793-I795 PolarHBondContact O-N 3.3Å; F793-I795 VanDerWaalsContact O-N 3.15Å
796	E	41.3	Very low	44.7	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.794	81%	0.807	S	S	*	*			trans	-62.9	128.8	160.1	-83	-177.4	160.3	0	0	107.4	P794 I798	P794-E796 PolarHBondContact O-N 2.98Å; E796-I798 PolarHBondContact O-N 3.08Å
797	P	41.4	Very low	44.5	Very low	116 Å²	116	154.1 Å²	154.1	75%	0.753	82%	0.821	S	S	*	*			trans	-67.5	121.2	175.6	22.1	-19.7	0	0	0	107.8	G799	P797-G799 PolarHBondContact O-N 3.21Å
798	I	42	Very low	43.8	Very low	160 Å²	160	154.2 Å²	154.2	82%	0.821	82%	0.822	S	S	*	*			trans	-58.5	108.3	159.1	-65	170.1	0	0	0	105	E796 D800	E796-I798 PolarHBondContact O-N 3.08Å; I798-D800 PolarHBondContact O-N 3.48Å
799	G	37.8	Very low	43.4	Very low	64 Å²	64	156.3 Å²	156.3	66%	0.66	83%	0.833	S	S	*	*			trans	-67.3	122	169.6	0	0	0	0	0	108.3	P797 E801	P797-G799 PolarHBondContact O-N 3.21Å; G799-E801 PolarHBondContact O-N 3.4Å
800	D	37.9	Very low	43.2	Very low	150 Å²	150	156.1 Å²	156.1	80%	0.802	83%	0.831	S	S	*	*			trans	-59.4	110	167.2	-66.5	-45.7	0	0	0	109.1	I798	I798-D800 PolarHBondContact O-N 3.48Å
801	E	41.3	Very low	42.9	Very low	193 Å²	193	159.3 Å²	159.3	90%	0.902	84%	0.839	S	S	*	*			trans	-110.2	84.4	153.4	-77.3	-175.8	171.7	0	0	106.9	G799 E803	G799-E801 PolarHBondContact O-N 3.4Å; E801-E803 PolarHBondContact O-N 3.29Å
802	E	39.7	Very low	43.2	Very low	184 Å²	184	164.6 Å²	164.6	86%	0.86	84%	0.843	S	S	*	*			trans	-66.4	107.3	152	-76.6	-177.9	153.4	0	0	107.4
803	E	41.8	Very low	43.4	Very low	193 Å²	193	159.7 Å²	159.7	90%	0.902	84%	0.84	S	S	*	*			trans	-115.7	109.8	151.3	-94.5	-169.4	166.5	0	0	108.9	E801	E801-E803 PolarHBondContact O-N 3.29Å
804	D	43.3	Very low	43.5	Very low	143 Å²	143	157.6 Å²	157.6	77%	0.765	84%	0.84	S	S	*	*			trans	-44.1	127.9	167	-75.7	-49.1	0	0	0	112.8
805	L	51.8	Low	43.4	Very low	161 Å²	161	160.5 Å²	160.5	84%	0.843	85%	0.845	S	S	*	*			trans	-146.3	85.5	146.3	-122.6	114.8	0	0	0	110.2
806	Y	51.1	Low	43.5	Very low	230 Å²	230	161.6 Å²	161.6	90%	0.902	85%	0.852	S	S	*	*			trans	-84.9	102.2	156.4	-91.8	-82.9	0	0	0	109.1
807	S	53	Low	43.7	Very low	175 Å²	175	160.8 Å²	160.8	100%	1.224	86%	0.858	S	S	*	*			trans	-172.2	0	149.7	56.4	0	0	0	0	110.7

Retrieved 807 of 807 residues in 230.8 ms (Link to these results)

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