G4VEV9_SCHMA Loading...

TLDc domain-containing protein

AlphaFold DB , UniProt , Accession G4VEV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.4	Very low	31.3	Very low	251 Å²	251	146 Å²	146	100%	1.236	83%	0.828	S	S	*	*				0	95.8	0	-58.1	-171.2	-167	0	0	105.4
2	G	28.5	Very low	31.6	Very low	92 Å²	92	147.3 Å²	147.3	95%	0.948	83%	0.829	S	S	*	*				91.2	54.7	70.5	0	0	0	0	0	109.3
3	G	29.6	Very low	33.1	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	80%	0.797	S	S	*	*			trans	-120.9	123.5	-177.5	0	0	0	0	0	109.9
4	T	33	Very low	34.3	Very low	135 Å²	135	135.1 Å²	135.1	83%	0.828	76%	0.762	S	S	*	*			trans	-52.3	127	-172.9	42.8	0	0	0	0	114.9	S6	T4-S6 PolarHBondContact O-N 3.19Å
5	N	28.4	Very low	35.8	Very low	168 Å²	168	126.7 Å²	126.7	90%	0.898	72%	0.715	S	S	*	*			trans	-62.9	93.2	160.7	-80	-22.4	0	0	0	109.5	R7	N5-R7 PolarHBondContact O-N 2.68Å; N5-R7 VanDerWaalsContact O-N 3.16Å
6	S	32.6	Very low	36.6	Very low	96 Å²	96	127.5 Å²	127.5	67%	0.671	71%	0.708	S	S	*	*			trans	-70.8	101.7	156.8	54.4	0	0	0	0	107.3	T4 I8	T4-S6 PolarHBondContact O-N 3.19Å; S6-I8 PolarHBondContact O-N 3.45Å
7	R	29.2	Very low	37.5	Very low	244 Å²	244	125.1 Å²	125.1	92%	0.921	70%	0.698	S	S	*	*			trans	-56.1	102.4	162.4	-108.1	177.3	166.9	173.7	-4.9	107.2	N5 E9	N5-R7 PolarHBondContact O-N 2.68Å; N5-R7 VanDerWaalsContact O-N 3.16Å; R7-E9 PolarHBondContact O-N 3.22Å
8	I	34.1	Very low	38.9	Very low	111 Å²	111	120.4 Å²	120.4	57%	0.569	67%	0.668	S	S	*	*			trans	-70.2	117	164.2	-64.5	172.1	0	0	0	105.3	S6 T10	S6-I8 PolarHBondContact O-N 3.45Å; I8-T10 PolarHBondContact O-N 2.83Å
9	E	28.2	Very low	40.2	Very low	189 Å²	189	120.6 Å²	120.6	88%	0.883	67%	0.673	S	S	*	*			trans	-59.9	103.5	166.5	-73.5	-178.5	158.5	0	0	107.6	R7 N11	R7-E9 PolarHBondContact O-N 3.22Å; E9-N11 PolarHBondContact O-N 2.92Å
10	T	33.5	Very low	41.9	Very low	114 Å²	114	115.3 Å²	115.3	70%	0.699	65%	0.647	S	S	*	*			trans	-70.5	112.6	173.1	39.7	0	0	0	0	108.3	I8 L12	I8-T10 PolarHBondContact O-N 2.83Å; T10-L12 PolarHBondContact O-N 3.07Å
11	N	35.3	Very low	43.9	Very low	136 Å²	136	110.9 Å²	110.9	73%	0.727	62%	0.621	S	S	*	*			trans	-55.1	114	168.4	-119.2	-23.1	0	0	0	108.3	E9 N13	E9-N11 PolarHBondContact O-N 2.92Å; N11-N13 PolarHBondContact O-N 2.86Å
12	L	34.8	Very low	46.4	Very low	161 Å²	161	104.2 Å²	104.2	84%	0.843	59%	0.587	S	S	*	*	S	Bend	trans	-72.6	17.4	-167.4	-94.7	147.7	0	0	0	115.2	T10	T10-L12 PolarHBondContact O-N 3.07Å
13	N	52.3	Low	48.9	Very low	77 Å²	77	106.2 Å²	106.2	41%	0.412	58%	0.576	S	S	.	*			trans	-177.3	84.7	163.5	-104.8	-51.3	0	0	0	110.1	N11 V15 K16	N11-N13 PolarHBondContact O-N 2.86Å; N13-V15 PolarHBondContact O-N 3.31Å; N13-K16 HydrophobicContact CB-CB 4.33Å; N13-K16 HydrophobicContact CB-CD 4.21Å; N13-K16 HydrophobicContact CB-CG 4.15Å; N13-K16 PolarHBondContact O-N 3.41Å
14	P	49.4	Very low	51.2	Low	48 Å²	48	106.8 Å²	106.8	31%	0.312	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-60	-28.9	-178.9	22.9	-31.9	0	0	0	112.7	K16 T17 N164	P14-K16 VanDerWaalsContact C-N 3.34Å; P14-K16 PolarHBondContact O-N 2.9Å; P14-T17 PolarHBondContact O-N 3.49Å; P14-T17 PolarHBondContact O-OG1 3.29Å; P14-N164 HydrophobicContact CB-CB 4.24Å; P14-N164 WeakPolarHBondContact CG-OD1 3.13Å
15	V	56.3	Low	53.3	Low	9 Å²	9	106.8 Å²	106.8	6%	0.055	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-67.7	-30.4	-177.8	-164	0	0	0	0	113	N13 T17 Y18 F21 L67 Y70 Q71 I74	N13-V15 PolarHBondContact O-N 3.31Å; V15-T17 PolarHBondContact O-N 2.85Å; V15-Y18 PolarHBondContact O-N 2.86Å; V15-F21 HydrophobicContact CG1-CE2 3.94Å; V15-F21 HydrophobicContact CG1-CZ 4.17Å; V15-L67 HydrophobicContact CB-CD1 4.42Å; V15-L67 HydrophobicContact CG1-CD1 3.36Å; V15-Y70 HydrophobicContact CG1-CD1 3.61Å; V15-Y70 HydrophobicContact CG1-CE1 3.73Å; V15-Q71 HydrophobicContact CB-CG 4.36Å; V15-Q71 HydrophobicContact CG1-CG 4.11Å; V15-Q71 HydrophobicContact CG2-CG 4.15Å; V15-I74 HydrophobicContact CG2-CD1 3.7Å
16	K	49.5	Very low	55.7	Low	139 Å²	139	107 Å²	107	60%	0.604	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-72.3	-12.3	-179.1	-75.5	-171.1	176.4	-174	0	113.8	N13 P14	N13-K16 HydrophobicContact CB-CB 4.33Å; N13-K16 HydrophobicContact CB-CD 4.21Å; N13-K16 HydrophobicContact CB-CG 4.15Å; N13-K16 PolarHBondContact O-N 3.41Å; P14-K16 VanDerWaalsContact C-N 3.34Å; P14-K16 PolarHBondContact O-N 2.9Å
17	T	51	Low	58.1	Low	87 Å²	87	107.8 Å²	107.8	53%	0.534	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-102.5	3.8	-179.5	41.5	0	0	0	0	113.3	P14 V15 T19 N166	P14-T17 PolarHBondContact O-N 3.49Å; P14-T17 PolarHBondContact O-OG1 3.29Å; V15-T17 PolarHBondContact O-N 2.85Å; T17-T19 PolarHBondContact O-N 2.87Å; T17-N166 PolarHBondContact O-ND2 2.65Å
18	Y	62.8	Low	60.8	Low	40 Å²	40	99.7 Å²	99.7	16%	0.157	52%	0.521	C	S	.	.			trans	-74.3	124.6	177.1	-176	-105.2	0	0	0	111	V15 G20 F21 I30 K38 N166	V15-Y18 PolarHBondContact O-N 2.86Å; Y18-G20 VanDerWaalsContact C-N 3.27Å; Y18-G20 VanDerWaalsContact CD1-N 3.31Å; Y18-G20 VanDerWaalsContact CE1-N 3.28Å; Y18-G20 PolarHBondContact O-N 2.82Å; Y18-F21 AromaticContact CD1-CD2 3.62Å; Y18-F21 HydrophobicContact CD1-CD2 3.62Å; Y18-F21 AromaticContact CD1-CE2 3.71Å; Y18-F21 HydrophobicContact CD1-CE2 3.71Å; Y18-F21 HydrophobicContact CG-CD2 4.24Å; Y18-F21 HydrophobicContact CG-CE2 4.21Å; Y18-I30 HydrophobicContact CE1-CD1 3.92Å; Y18-K38 VanDerWaalsContact CE1-CE 3.42Å; Y18-K38 VanDerWaalsContact CZ-NZ 3.3Å; Y18-K38 WeakPolarHBondContact OH-CE 3.3Å; Y18-N166 VanDerWaalsContact CA-OD1 3.28Å; Y18-N166 WeakPolarHBondContact CA-OD1 3.27Å; Y18-N166 WeakPolarHBondContact CD2-OD1 3.33Å; Y18-N166 VanDerWaalsContact CE2-OD1 3.24Å; Y18-N166 WeakPolarHBondContact CE2-OD1 3.37Å
19	T	64	Low	63.4	Low	124 Å²	124	94.8 Å²	94.8	76%	0.761	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.4	-173	52.6	0	0	0	0	114.6	T17 N166	T17-T19 PolarHBondContact O-N 2.87Å; T19-N166 PolarHBondContact N-OD1 3.39Å; T19-N166 PolarHBondContact OG1-OD1 3.33Å
20	G	74.9	Confident	66.3	Low	15 Å²	15	85.8 Å²	85.8	16%	0.155	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	10.5	-178.6	0	0	0	0	0	114.9	Y18	Y18-G20 VanDerWaalsContact C-N 3.27Å; Y18-G20 VanDerWaalsContact CD1-N 3.31Å; Y18-G20 VanDerWaalsContact CE1-N 3.28Å; Y18-G20 PolarHBondContact O-N 2.82Å
21	F	82.5	Confident	68.9	Low	23 Å²	23	81.5 Å²	81.5	10%	0.101	43%	0.429	C	S	.	.			trans	-84.3	133.3	165.5	-75.3	-79.9	0	0	0	109.9	V15 Y18 Q28 V29 I30 L67 Y70	V15-F21 HydrophobicContact CG1-CE2 3.94Å; V15-F21 HydrophobicContact CG1-CZ 4.17Å; Y18-F21 AromaticContact CD1-CD2 3.62Å; Y18-F21 HydrophobicContact CD1-CD2 3.62Å; Y18-F21 AromaticContact CD1-CE2 3.71Å; Y18-F21 HydrophobicContact CD1-CE2 3.71Å; Y18-F21 HydrophobicContact CG-CD2 4.24Å; Y18-F21 HydrophobicContact CG-CE2 4.21Å; F21-Q28 HydrophobicContact CB-CB 4.28Å; F21-Q28 HydrophobicContact CD1-CB 4.3Å; F21-V29 CarbonylContact C-O 3.49Å; F21-V29 VanDerWaalsContact CA-O 3.3Å; F21-V29 WeakPolarHBondContact CA-O 3.42Å; F21-I30 HydrophobicContact CD1-CB 4.05Å; F21-I30 HydrophobicContact CE1-CB 3.85Å; F21-I30 HydrophobicContact CE1-CG2 3.99Å; F21-I30 HydrophobicContact CZ-CB 4.48Å; F21-L67 HydrophobicContact CD1-CD1 4.19Å; F21-L67 HydrophobicContact CD2-CD1 4.27Å; F21-L67 HydrophobicContact CE1-CB 4.29Å; F21-L67 HydrophobicContact CE1-CD1 3.7Å; F21-L67 HydrophobicContact CE2-CD1 3.79Å; F21-L67 HydrophobicContact CG-CD1 4.48Å; F21-L67 HydrophobicContact CZ-CD1 3.49Å; F21-L67 VanDerWaalsContact CZ-CD1 3.49Å; F21-Y70 HydrophobicContact CE1-CG 4.34Å; F21-Y70 HydrophobicContact CE2-CD1 4.35Å; F21-Y70 HydrophobicContact CE2-CE1 4.35Å; F21-Y70 AromaticContact CZ-CD1 3.66Å; F21-Y70 HydrophobicContact CZ-CD1 3.66Å; F21-Y70 HydrophobicContact CZ-CD2 4.07Å; F21-Y70 HydrophobicContact CZ-CE1 4.03Å; F21-Y70 HydrophobicContact CZ-CE2 4.4Å; F21-Y70 AromaticContact CZ-CG 3.66Å; F21-Y70 HydrophobicContact CZ-CG 3.66Å
22	E	83.4	Confident	71.6	Confident	111 Å²	111	78 Å²	78	52%	0.519	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.5	175.6	-63.1	176.8	-175.1	0	0	109.3	H24 Q28 V29	E22-H24 PolarHBondContact O-N 3.05Å; E22-Q28 WeakPolarHBondContact O-CA 3.42Å; E22-V29 PolarHBondContact N-O 3.02Å; E22-V29 PolarHBondContact O-N 3.13Å
23	D	81.4	Confident	74.2	Confident	134 Å²	134	77 Å²	77	72%	0.717	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.3	173.4	-69.8	-33	0	0	0	109.1
24	H	77.5	Confident	75.9	Confident	82 Å²	82	75 Å²	75	38%	0.38	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.6	174.8	-165.2	-68.3	0	0	0	109.1	E22 N26 E27 V29	E22-H24 PolarHBondContact O-N 3.05Å; H24-N26 VanDerWaalsContact C-N 3.28Å; H24-N26 PolarHBondContact O-N 3.34Å; H24-E27 PolarHBondContact N-O 3.15Å; H24-E27 PolarHBondContact O-N 2.92Å; H24-E27 VanDerWaalsContact O-O 3.06Å; H24-V29 HydrophobicContact CB-CG1 4.19Å; H24-V29 HydrophobicContact CB-CG2 3.49Å; H24-V29 VanDerWaalsContact CB-CG2 3.49Å
25	D	77.5	Confident	77.9	Confident	135 Å²	135	72.8 Å²	72.8	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38	179.8	-63.3	-37.2	0	0	0	115.8	E27	D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.17Å
26	N	79.1	Confident	79.5	Confident	171 Å²	171	76.2 Å²	76.2	91%	0.914	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	16.1	-174.3	-49.7	-60.9	0	0	0	115.2	H24	H24-N26 VanDerWaalsContact C-N 3.28Å; H24-N26 PolarHBondContact O-N 3.34Å
27	E	82.4	Confident	81.4	Confident	113 Å²	113	73.5 Å²	73.5	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.7	170.2	-62.4	-166.3	153.3	0	0	110.7	H24 D25 V66	H24-E27 PolarHBondContact N-O 3.15Å; H24-E27 PolarHBondContact O-N 2.92Å; H24-E27 VanDerWaalsContact O-O 3.06Å; D25-E27 VanDerWaalsContact C-N 3.26Å; D25-E27 PolarHBondContact O-N 3.17Å; E27-V66 WeakPolarHBondContact OE2-CG1 3.33Å
28	Q	86.5	Confident	83.1	Confident	74 Å²	74	69.9 Å²	69.9	35%	0.346	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122	170.7	-70.6	-165	-46.3	0	0	109.2	F21 E22 L67	F21-Q28 HydrophobicContact CB-CB 4.28Å; F21-Q28 HydrophobicContact CD1-CB 4.3Å; E22-Q28 WeakPolarHBondContact O-CA 3.42Å; Q28-L67 HydrophobicContact CB-CB 4.11Å; Q28-L67 HydrophobicContact CB-CD2 4.35Å; Q28-L67 WeakPolarHBondContact O-CB 3.43Å; Q28-L67 PolarHBondContact O-N 3.41Å
29	V	88.3	Confident	84.3	Confident	8 Å²	8	68.3 Å²	68.3	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.1	-178.3	-58.6	0	0	0	0	111.4	F21 E22 H24 F64 M65 V66	F21-V29 CarbonylContact C-O 3.49Å; F21-V29 VanDerWaalsContact CA-O 3.3Å; F21-V29 WeakPolarHBondContact CA-O 3.42Å; E22-V29 PolarHBondContact N-O 3.02Å; E22-V29 PolarHBondContact O-N 3.13Å; H24-V29 HydrophobicContact CB-CG1 4.19Å; H24-V29 HydrophobicContact CB-CG2 3.49Å; H24-V29 VanDerWaalsContact CB-CG2 3.49Å; V29-F64 HydrophobicContact CB-CB 4.17Å; V29-F64 HydrophobicContact CB-CD1 4.34Å; V29-F64 HydrophobicContact CG2-CB 4.35Å; V29-F64 HydrophobicContact CG2-CD1 3.75Å; V29-F64 HydrophobicContact CG2-CE1 4.43Å; V29-F64 HydrophobicContact CG2-CG 4.26Å; V29-M65 CarbonylContact C-O 3.54Å; V29-M65 VanDerWaalsContact CA-O 3.29Å; V29-M65 WeakPolarHBondContact CA-O 3.4Å; V29-V66 HydrophobicContact CG1-CG1 4.07Å
30	I	89.1	Confident	85.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.7	168.7	-172.5	170	0	0	0	108.3	Y18 F21 F35 K38 W51 F64 M65 Y70	Y18-I30 HydrophobicContact CE1-CD1 3.92Å; F21-I30 HydrophobicContact CD1-CB 4.05Å; F21-I30 HydrophobicContact CE1-CB 3.85Å; F21-I30 HydrophobicContact CE1-CG2 3.99Å; F21-I30 HydrophobicContact CZ-CB 4.48Å; I30-F35 HydrophobicContact CD1-CB 4.03Å; I30-F35 HydrophobicContact CD1-CD2 4.46Å; I30-F35 HydrophobicContact CG1-CB 4.26Å; I30-K38 HydrophobicContact CD1-CD 4.43Å; I30-W51 HydrophobicContact CG2-CZ3 4.34Å; I30-W51 WeakPolarHBondContact O-CH2 3.46Å; I30-F64 WeakPolarHBondContact O-CA 3.46Å; I30-M65 HydrophobicContact CG2-CB 4.08Å; I30-M65 PolarHBondContact N-O 3.3Å; I30-M65 PolarHBondContact O-N 2.92Å; I30-Y70 HydrophobicContact CD1-CE2 4.36Å; I30-Y70 HydrophobicContact CG2-CD2 4.15Å
31	S	89.6	Confident	86	Confident	24 Å²	24	68.9 Å²	68.9	17%	0.168	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	156.2	175.4	72.2	0	0	0	0	111.5	E33 S34 F35 E63	S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 2.84Å; S31-S34 PolarHBondContact O-N 2.77Å; S31-S34 VanDerWaalsContact OG-CB 3.31Å; S31-S34 WeakPolarHBondContact OG-CB 3.17Å; S31-S34 PolarHBondContact OG-N 3.42Å; S31-S34 VanDerWaalsContact OG-N 3.11Å; S31-S34 PolarHBondContact OG-OG 3.1Å; S31-S34 VanDerWaalsContact OG-OG 3.13Å; S31-F35 WeakPolarHBondContact O-CB 3.25Å; S31-F35 PolarHBondContact O-N 2.97Å; S31-E63 CarbonylContact C-O 3.58Å; S31-E63 WeakPolarHBondContact CA-O 3.42Å
32	K	91	Very high	86.2	Confident	63 Å²	63	68.9 Å²	68.9	27%	0.274	34%	0.342	S	S	.	.	H	α-helix	trans	-57.3	-40.9	176.6	-171.9	167.6	-175.8	160.3	0	111.8	F35 R36 D48 W51 D52 E63	K32-F35 PolarHBondContact O-N 3.21Å; K32-R36 VanDerWaalsContact O-CB 3.25Å; K32-R36 WeakPolarHBondContact O-CB 3.22Å; K32-R36 PolarHBondContact O-N 3.05Å; K32-D48 WeakPolarHBondContact CE-OD1 3.37Å; K32-W51 VanDerWaalsContact CA-CH2 3.47Å; K32-W51 HydrophobicContact CB-CD2 4.09Å; K32-W51 HydrophobicContact CB-CE3 4.29Å; K32-W51 HydrophobicContact CB-CH2 3.86Å; K32-W51 HydrophobicContact CB-CZ2 3.66Å; K32-W51 HydrophobicContact CB-CZ3 4.19Å; K32-W51 HydrophobicContact CD-CD2 4.21Å; K32-W51 HydrophobicContact CD-CG 4.09Å; K32-W51 HydrophobicContact CG-CD2 3.83Å; K32-W51 HydrophobicContact CG-CE3 4.26Å; K32-W51 HydrophobicContact CG-CG 4.1Å; K32-W51 HydrophobicContact CG-CZ2 4.28Å; K32-W51 VanDerWaalsContact N-CH2 3.25Å; K32-D52 IonicContact NZ-OD1 2.93Å; K32-D52 PolarHBondContact NZ-OD1 2.81Å; K32-E63 PolarHBondContact N-O 2.9Å
33	E	89.6	Confident	86.5	Confident	141 Å²	141	63.6 Å²	63.6	66%	0.659	32%	0.317	S	S	*	.	H	α-helix	trans	-64	-48.3	177	-175.5	174.9	-177.5	0	0	111.8	S31 F35 R36 N37	S31-E33 VanDerWaalsContact C-N 3.25Å; S31-E33 PolarHBondContact O-N 2.84Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 3.25Å; E33-R36 PolarHBondContact O-N 2.94Å; E33-N37 VanDerWaalsContact O-CB 3.32Å; E33-N37 WeakPolarHBondContact O-CB 3.43Å; E33-N37 PolarHBondContact O-N 2.92Å; E33-N37 PolarHBondContact O-ND2 3.02Å
34	S	88.7	Confident	87	Confident	34 Å²	34	60 Å²	60	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-38.3	177.8	-69.8	0	0	0	0	112.3	S31 K38	S31-S34 PolarHBondContact O-N 2.77Å; S31-S34 VanDerWaalsContact OG-CB 3.31Å; S31-S34 WeakPolarHBondContact OG-CB 3.17Å; S31-S34 PolarHBondContact OG-N 3.42Å; S31-S34 VanDerWaalsContact OG-N 3.11Å; S31-S34 PolarHBondContact OG-OG 3.1Å; S31-S34 VanDerWaalsContact OG-OG 3.13Å; S34-K38 PolarHBondContact O-N 3.13Å
35	F	90.6	Very high	87.6	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-50.2	173.6	178.9	-94.2	0	0	0	111.2	I30 S31 K32 E33 N37 K38 F39 A47 L50 W51 Y70 I73 L163	I30-F35 HydrophobicContact CD1-CB 4.03Å; I30-F35 HydrophobicContact CD1-CD2 4.46Å; I30-F35 HydrophobicContact CG1-CB 4.26Å; S31-F35 WeakPolarHBondContact O-CB 3.25Å; S31-F35 PolarHBondContact O-N 2.97Å; K32-F35 PolarHBondContact O-N 3.21Å; E33-F35 VanDerWaalsContact C-N 3.34Å; E33-F35 PolarHBondContact O-N 3.25Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 3.37Å; F35-K38 VanDerWaalsContact O-CB 3.29Å; F35-K38 WeakPolarHBondContact O-CB 3.28Å; F35-K38 PolarHBondContact O-N 3.42Å; F35-K38 VanDerWaalsContact O-N 3.15Å; F35-F39 HydrophobicContact CD1-CE2 4.13Å; F35-F39 AromaticContact CE1-CE2 3.68Å; F35-F39 HydrophobicContact CE1-CE2 3.68Å; F35-F39 HydrophobicContact CE1-CZ 4.02Å; F35-F39 HydrophobicContact CE2-CE2 4.28Å; F35-F39 AromaticContact CZ-CE2 3.77Å; F35-F39 HydrophobicContact CZ-CE2 3.77Å; F35-F39 AromaticContact CZ-CZ 3.85Å; F35-F39 HydrophobicContact CZ-CZ 3.85Å; F35-F39 VanDerWaalsContact O-CD2 3.29Å; F35-F39 WeakPolarHBondContact O-CD2 3.43Å; F35-F39 WeakPolarHBondContact O-CE2 3.45Å; F35-A47 HydrophobicContact CE1-CB 4.2Å; F35-A47 WeakPolarHBondContact CE1-O 3.46Å; F35-L50 HydrophobicContact CE1-CB 4.38Å; F35-L50 HydrophobicContact CZ-CB 4.23Å; F35-W51 HydrophobicContact CB-CE3 3.81Å; F35-W51 HydrophobicContact CB-CZ3 3.72Å; F35-W51 HydrophobicContact CD1-CB 4.49Å; F35-W51 AromaticContact CD1-CE3 3.85Å; F35-W51 HydrophobicContact CD1-CE3 3.85Å; F35-W51 HydrophobicContact CD2-CE3 4.49Å; F35-W51 HydrophobicContact CE1-CB 4.45Å; F35-W51 AromaticContact CG-CE3 3.79Å; F35-W51 HydrophobicContact CG-CE3 3.79Å; F35-W51 HydrophobicContact CG-CZ3 4.11Å; F35-Y70 AromaticContact CD2-CD2 4Å; F35-Y70 HydrophobicContact CD2-CD2 4Å; F35-Y70 AromaticContact CD2-CE2 3.79Å; F35-Y70 HydrophobicContact CD2-CE2 3.79Å; F35-Y70 HydrophobicContact CE2-CD2 4.03Å; F35-Y70 AromaticContact CE2-CE2 3.84Å; F35-Y70 HydrophobicContact CE2-CE2 3.84Å; F35-I73 HydrophobicContact CE2-CD1 4.08Å; F35-I73 HydrophobicContact CZ-CD1 4.13Å; F35-L163 HydrophobicContact CE2-CD2 3.73Å; F35-L163 HydrophobicContact CZ-CD2 4.24Å
36	R	90.9	Very high	88.4	Confident	82 Å²	82	53 Å²	53	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-38.9	179.8	-172.4	172.3	-179.6	-92.1	5.4	112.2	K32 E33 K38 F39 Y44 A47 D48	K32-R36 VanDerWaalsContact O-CB 3.25Å; K32-R36 WeakPolarHBondContact O-CB 3.22Å; K32-R36 PolarHBondContact O-N 3.05Å; E33-R36 PolarHBondContact O-N 2.94Å; R36-K38 PolarHBondContact O-N 3.05Å; R36-K38 VanDerWaalsContact O-N 3.16Å; R36-F39 WeakPolarHBondContact O-CB 3.2Å; R36-F39 PolarHBondContact O-N 3.24Å; R36-Y44 HydrophobicContact CG-CD1 3.7Å; R36-Y44 HydrophobicContact CG-CE1 4.03Å; R36-Y44 HydrophobicContact CG-CG 4.06Å; R36-Y44 VanDerWaalsContact CZ-CG 3.5Å; R36-Y44 WeakPolarHBondContact O-CE1 3.25Å; R36-A47 HydrophobicContact CG-CB 4.48Å; R36-D48 IonicContact NE-OD1 2.69Å; R36-D48 IonicContact NE-OD2 3.74Å; R36-D48 PolarHBondContact NE-OD2 2.71Å
37	N	88.4	Confident	89	Confident	82 Å²	82	44.9 Å²	44.9	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.4	178.1	-71.6	-17.3	0	0	0	114.2	E33 F35	E33-N37 VanDerWaalsContact O-CB 3.32Å; E33-N37 WeakPolarHBondContact O-CB 3.43Å; E33-N37 PolarHBondContact O-N 2.92Å; E33-N37 PolarHBondContact O-ND2 3.02Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 3.37Å
38	K	87.2	Confident	89.5	Confident	10 Å²	10	41.5 Å²	41.5	4%	0.043	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.6	166.9	-69.7	176.9	148.9	-73	0	112.6	Y18 I30 S34 F35 R36 Y70 L162 L163 D165	Y18-K38 VanDerWaalsContact CE1-CE 3.42Å; Y18-K38 VanDerWaalsContact CZ-NZ 3.3Å; Y18-K38 WeakPolarHBondContact OH-CE 3.3Å; I30-K38 HydrophobicContact CD1-CD 4.43Å; S34-K38 PolarHBondContact O-N 3.13Å; F35-K38 VanDerWaalsContact O-CB 3.29Å; F35-K38 WeakPolarHBondContact O-CB 3.28Å; F35-K38 PolarHBondContact O-N 3.42Å; F35-K38 VanDerWaalsContact O-N 3.15Å; R36-K38 PolarHBondContact O-N 3.05Å; R36-K38 VanDerWaalsContact O-N 3.16Å; K38-Y70 WeakPolarHBondContact CE-OH 3.47Å; K38-Y70 PolarHBondContact NZ-OH 3.35Å; K38-L162 PolarHBondContact NZ-O 3.15Å; K38-L162 WeakPolarHBondContact O-CD2 3.22Å; K38-L163 HydrophobicContact CD-CD2 4.47Å; K38-D165 PolarHBondContact NZ-O 3.37Å
39	F	88.4	Confident	89.8	Confident	8 Å²	8	40 Å²	40	4%	0.035	20%	0.196	C	C	.	.	S	Bend	trans	-96.7	155.5	-175.4	-61	-111.2	0	0	0	109.9	F35 R36 L43 Y44 A47 L50 L159 L162 L163	F35-F39 HydrophobicContact CD1-CE2 4.13Å; F35-F39 AromaticContact CE1-CE2 3.68Å; F35-F39 HydrophobicContact CE1-CE2 3.68Å; F35-F39 HydrophobicContact CE1-CZ 4.02Å; F35-F39 HydrophobicContact CE2-CE2 4.28Å; F35-F39 AromaticContact CZ-CE2 3.77Å; F35-F39 HydrophobicContact CZ-CE2 3.77Å; F35-F39 AromaticContact CZ-CZ 3.85Å; F35-F39 HydrophobicContact CZ-CZ 3.85Å; F35-F39 VanDerWaalsContact O-CD2 3.29Å; F35-F39 WeakPolarHBondContact O-CD2 3.43Å; F35-F39 WeakPolarHBondContact O-CE2 3.45Å; R36-F39 WeakPolarHBondContact O-CB 3.2Å; R36-F39 PolarHBondContact O-N 3.24Å; F39-L43 HydrophobicContact CB-CB 4.31Å; F39-L43 HydrophobicContact CD1-CB 4.24Å; F39-Y44 HydrophobicContact CB-CD1 4.32Å; F39-Y44 VanDerWaalsContact O-CE1 3.32Å; F39-Y44 WeakPolarHBondContact O-CE1 3.26Å; F39-A47 HydrophobicContact CB-CB 4.25Å; F39-A47 HydrophobicContact CD1-CB 3.98Å; F39-A47 HydrophobicContact CD2-CB 3.56Å; F39-A47 HydrophobicContact CE1-CB 4.12Å; F39-A47 HydrophobicContact CE2-CB 3.8Å; F39-A47 HydrophobicContact CG-CB 3.69Å; F39-A47 HydrophobicContact CZ-CB 4.08Å; F39-L50 HydrophobicContact CE1-CD1 4.12Å; F39-L50 HydrophobicContact CZ-CD1 4.09Å; F39-L159 HydrophobicContact CD1-CD2 3.82Å; F39-L159 HydrophobicContact CE1-CD2 3.4Å; F39-L159 VanDerWaalsContact CE1-CD2 3.4Å; F39-L159 HydrophobicContact CZ-CD2 4.47Å; F39-L162 HydrophobicContact CD1-CD1 4.4Å; F39-L163 HydrophobicContact CE2-CD2 4.33Å; F39-L163 HydrophobicContact CZ-CD2 4.12Å
40	D	85.9	Confident	90	Very high	16 Å²	16	39.7 Å²	39.7	9%	0.086	19%	0.193	C	C	.	.			trans	-70.5	154.3	166.2	-166.6	-73.8	0	0	0	109.8	C42 L43 Y44 N170 L171	D40-C42 PolarHBondContact O-N 3.17Å; D40-C42 PolarHBondContact OD1-N 3.37Å; D40-C42 PolarHBondContact OD1-SG 3.36Å; D40-L43 PolarHBondContact O-N 3.24Å; D40-Y44 WeakPolarHBondContact O-CD1 3.39Å; D40-Y44 PolarHBondContact O-N 2.89Å; D40-N170 PolarHBondContact OD2-OD1 3.3Å; D40-L171 HydrophobicContact CB-CB 3.9Å; D40-L171 HydrophobicContact CB-CD1 3.77Å; D40-L171 HydrophobicContact CB-CG 4.22Å; D40-L171 PolarHBondContact OD2-N 3.04Å
41	F	87.2	Confident	90.2	Very high	134 Å²	134	39.7 Å²	39.7	59%	0.588	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-57	-28	-177.4	71.2	-93.4	0	0	0	113	L43 Y44 T172	F41-L43 PolarHBondContact O-N 2.86Å; F41-Y44 HydrophobicContact CB-CD2 4Å; F41-Y44 HydrophobicContact CB-CE2 3.74Å; F41-Y44 PolarHBondContact O-N 2.73Å; F41-T172 HydrophobicContact CD1-CG2 4.41Å; F41-T172 HydrophobicContact CE1-CG2 3.33Å; F41-T172 HydrophobicContact CZ-CG2 3.71Å
42	C	86.6	Confident	90.2	Very high	24 Å²	24	42.2 Å²	42.2	16%	0.162	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-70.2	-11.3	177.7	62.6	0	0	0	0	114.5	D40	D40-C42 PolarHBondContact O-N 3.17Å; D40-C42 PolarHBondContact OD1-N 3.37Å; D40-C42 PolarHBondContact OD1-SG 3.36Å
43	L	90.4	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-119.5	12.7	178.8	-62.4	179	0	0	0	112.6	F39 D40 F41 D45 L46 A47 W107 L155 L159 L171	F39-L43 HydrophobicContact CB-CB 4.31Å; F39-L43 HydrophobicContact CD1-CB 4.24Å; D40-L43 PolarHBondContact O-N 3.24Å; F41-L43 PolarHBondContact O-N 2.86Å; L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 2.83Å; L43-L46 HydrophobicContact CD2-CD2 4.38Å; L43-L46 WeakPolarHBondContact O-CB 3.29Å; L43-L46 PolarHBondContact O-N 3.31Å; L43-A47 PolarHBondContact O-N 3.22Å; L43-W107 HydrophobicContact CD2-CB 4.09Å; L43-W107 HydrophobicContact CD2-CG 4.32Å; L43-L155 HydrophobicContact CD1-CD1 4.3Å; L43-L155 HydrophobicContact CD2-CD1 4.34Å; L43-L159 HydrophobicContact CD1-CD2 4.46Å; L43-L171 HydrophobicContact CD1-CD1 3.53Å; L43-L171 HydrophobicContact CG-CD1 4.27Å
44	Y	91.5	Very high	90.1	Very high	58 Å²	58	36.6 Å²	36.6	23%	0.227	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-37.2	179.7	-78.2	-11.1	0	0	0	113.2	R36 F39 D40 F41 L46 A47 D48	R36-Y44 HydrophobicContact CG-CD1 3.7Å; R36-Y44 HydrophobicContact CG-CE1 4.03Å; R36-Y44 HydrophobicContact CG-CG 4.06Å; R36-Y44 VanDerWaalsContact CZ-CG 3.5Å; R36-Y44 WeakPolarHBondContact O-CE1 3.25Å; F39-Y44 HydrophobicContact CB-CD1 4.32Å; F39-Y44 VanDerWaalsContact O-CE1 3.32Å; F39-Y44 WeakPolarHBondContact O-CE1 3.26Å; D40-Y44 WeakPolarHBondContact O-CD1 3.39Å; D40-Y44 PolarHBondContact O-N 2.89Å; F41-Y44 HydrophobicContact CB-CD2 4Å; F41-Y44 HydrophobicContact CB-CE2 3.74Å; F41-Y44 PolarHBondContact O-N 2.73Å; Y44-L46 VanDerWaalsContact C-N 3.34Å; Y44-A47 WeakPolarHBondContact O-CB 3.45Å; Y44-A47 PolarHBondContact O-N 3.47Å; Y44-D48 WeakPolarHBondContact O-CB 3.47Å; Y44-D48 VanDerWaalsContact O-CG 3.27Å; Y44-D48 PolarHBondContact O-N 3.45Å
45	D	91.4	Very high	89.7	Confident	70 Å²	70	36.1 Å²	36.1	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-61.4	-41.6	173.8	57.8	-19.7	0	0	0	112	L43 D48 L49 W107	L43-D45 VanDerWaalsContact C-N 3.3Å; L43-D45 PolarHBondContact O-N 2.83Å; D45-D48 PolarHBondContact O-N 3.37Å; D45-L49 WeakPolarHBondContact O-CG 3.19Å; D45-L49 PolarHBondContact O-N 2.98Å; D45-W107 PolarHBondContact OD1-NE1 3.47Å; D45-W107 PolarHBondContact OD2-NE1 3.27Å
46	L	93.4	Very high	88.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-41	172.9	178.7	56.8	0	0	0	112.1	L43 Y44 L49 L50 F87 L90 W107 L155 L159	L43-L46 HydrophobicContact CD2-CD2 4.38Å; L43-L46 WeakPolarHBondContact O-CB 3.29Å; L43-L46 PolarHBondContact O-N 3.31Å; Y44-L46 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 2.94Å; L46-L50 HydrophobicContact CD1-CD1 4.41Å; L46-L50 HydrophobicContact CD1-CG 4.3Å; L46-L50 HydrophobicContact CG-CD1 4.25Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 2.91Å; L46-F87 HydrophobicContact CD1-CD1 4.17Å; L46-F87 HydrophobicContact CD1-CE1 4.43Å; L46-F87 HydrophobicContact CD2-CE1 4.3Å; L46-L90 HydrophobicContact CD1-CD1 3.59Å; L46-W107 HydrophobicContact CB-CD2 4.02Å; L46-W107 HydrophobicContact CB-CG 4.28Å; L46-W107 HydrophobicContact CB-CZ2 4.2Å; L46-W107 HydrophobicContact CD1-CD2 4.18Å; L46-W107 HydrophobicContact CD1-CE3 3.86Å; L46-W107 HydrophobicContact CD1-CH2 4.15Å; L46-W107 HydrophobicContact CD1-CZ2 4.42Å; L46-W107 HydrophobicContact CD1-CZ3 3.85Å; L46-W107 HydrophobicContact CD2-CB 4.29Å; L46-W107 HydrophobicContact CD2-CD2 4.18Å; L46-W107 HydrophobicContact CD2-CE3 4.34Å; L46-W107 HydrophobicContact CD2-CG 4.15Å; L46-W107 HydrophobicContact CG-CD2 4.36Å; L46-W107 HydrophobicContact CG-CE3 4.49Å; L46-L155 HydrophobicContact CD2-CD1 4.15Å; L46-L155 HydrophobicContact CD2-CD2 4.11Å; L46-L159 HydrophobicContact CD2-CD1 3.93Å; L46-L159 HydrophobicContact CD2-CD2 4.36Å
47	A	92.5	Very high	87.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-45.3	176	0	0	0	0	0	111.3	F35 R36 F39 L43 Y44 L49 L50 W51	F35-A47 HydrophobicContact CE1-CB 4.2Å; F35-A47 WeakPolarHBondContact CE1-O 3.46Å; R36-A47 HydrophobicContact CG-CB 4.48Å; F39-A47 HydrophobicContact CB-CB 4.25Å; F39-A47 HydrophobicContact CD1-CB 3.98Å; F39-A47 HydrophobicContact CD2-CB 3.56Å; F39-A47 HydrophobicContact CE1-CB 4.12Å; F39-A47 HydrophobicContact CE2-CB 3.8Å; F39-A47 HydrophobicContact CG-CB 3.69Å; F39-A47 HydrophobicContact CZ-CB 4.08Å; L43-A47 PolarHBondContact O-N 3.22Å; Y44-A47 WeakPolarHBondContact O-CB 3.45Å; Y44-A47 PolarHBondContact O-N 3.47Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.13Å; A47-L50 PolarHBondContact O-N 2.85Å; A47-W51 PolarHBondContact O-N 2.7Å
48	D	92.4	Very high	85.7	Confident	42 Å²	42	50 Å²	50	23%	0.225	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.1	-71.3	-38.1	0	0	0	111	K32 R36 Y44 D45 W51 D52	K32-D48 WeakPolarHBondContact CE-OD1 3.37Å; R36-D48 IonicContact NE-OD1 2.69Å; R36-D48 IonicContact NE-OD2 3.74Å; R36-D48 PolarHBondContact NE-OD2 2.71Å; Y44-D48 WeakPolarHBondContact O-CB 3.47Å; Y44-D48 VanDerWaalsContact O-CG 3.27Å; Y44-D48 PolarHBondContact O-N 3.45Å; D45-D48 PolarHBondContact O-N 3.37Å; D48-W51 WeakPolarHBondContact O-CB 3.2Å; D48-W51 PolarHBondContact O-N 2.94Å; D48-D52 WeakPolarHBondContact O-CB 3.38Å; D48-D52 PolarHBondContact O-N 3.32Å
49	L	92.4	Very high	84.1	Confident	44 Å²	44	53.5 Å²	53.5	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-40.7	174.5	-75.2	171.5	0	0	0	113.3	D45 L46 A47 W51 D52 N53 L90 W107	D45-L49 WeakPolarHBondContact O-CG 3.19Å; D45-L49 PolarHBondContact O-N 2.98Å; L46-L49 PolarHBondContact O-N 2.94Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.13Å; L49-W51 VanDerWaalsContact C-N 3.31Å; L49-D52 PolarHBondContact O-N 3.46Å; L49-N53 WeakPolarHBondContact O-CB 3.4Å; L49-N53 PolarHBondContact O-N 3.42Å; L49-N53 VanDerWaalsContact O-N 3.1Å; L49-N53 PolarHBondContact O-ND2 2.93Å; L49-L90 HydrophobicContact CB-CB 4.45Å; L49-W107 HydrophobicContact CD1-CH2 3.39Å; L49-W107 HydrophobicContact CD1-CZ2 3.65Å
50	L	92.9	Very high	82.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-40.2	174.6	-74.4	169.9	0	0	0	110.9	F35 F39 L46 A47 F54 I73 L90	F35-L50 HydrophobicContact CE1-CB 4.38Å; F35-L50 HydrophobicContact CZ-CB 4.23Å; F39-L50 HydrophobicContact CE1-CD1 4.12Å; F39-L50 HydrophobicContact CZ-CD1 4.09Å; L46-L50 HydrophobicContact CD1-CD1 4.41Å; L46-L50 HydrophobicContact CD1-CG 4.3Å; L46-L50 HydrophobicContact CG-CD1 4.25Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 2.91Å; A47-L50 PolarHBondContact O-N 2.85Å; L50-F54 VanDerWaalsContact O-CD2 3.25Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å; L50-F54 PolarHBondContact O-N 3.05Å; L50-I73 HydrophobicContact CD2-CG2 4.34Å; L50-L90 HydrophobicContact CD2-CD1 3.85Å; L50-L90 HydrophobicContact CD2-CD2 3.94Å; L50-L90 HydrophobicContact CG-CD1 4.23Å
51	W	92.4	Very high	80.8	Confident	1 Å²	1	62.5 Å²	62.5	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-55.1	173.9	-176.8	-82.6	0	0	0	111.1	I30 K32 F35 A47 D48 L49 N53 F54 A55 D62 M65	I30-W51 HydrophobicContact CG2-CZ3 4.34Å; I30-W51 WeakPolarHBondContact O-CH2 3.46Å; K32-W51 VanDerWaalsContact CA-CH2 3.47Å; K32-W51 HydrophobicContact CB-CD2 4.09Å; K32-W51 HydrophobicContact CB-CE3 4.29Å; K32-W51 HydrophobicContact CB-CH2 3.86Å; K32-W51 HydrophobicContact CB-CZ2 3.66Å; K32-W51 HydrophobicContact CB-CZ3 4.19Å; K32-W51 HydrophobicContact CD-CD2 4.21Å; K32-W51 HydrophobicContact CD-CG 4.09Å; K32-W51 HydrophobicContact CG-CD2 3.83Å; K32-W51 HydrophobicContact CG-CE3 4.26Å; K32-W51 HydrophobicContact CG-CG 4.1Å; K32-W51 HydrophobicContact CG-CZ2 4.28Å; K32-W51 VanDerWaalsContact N-CH2 3.25Å; F35-W51 HydrophobicContact CB-CE3 3.81Å; F35-W51 HydrophobicContact CB-CZ3 3.72Å; F35-W51 HydrophobicContact CD1-CB 4.49Å; F35-W51 AromaticContact CD1-CE3 3.85Å; F35-W51 HydrophobicContact CD1-CE3 3.85Å; F35-W51 HydrophobicContact CD2-CE3 4.49Å; F35-W51 HydrophobicContact CE1-CB 4.45Å; F35-W51 AromaticContact CG-CE3 3.79Å; F35-W51 HydrophobicContact CG-CE3 3.79Å; F35-W51 HydrophobicContact CG-CZ3 4.11Å; A47-W51 PolarHBondContact O-N 2.7Å; D48-W51 WeakPolarHBondContact O-CB 3.2Å; D48-W51 PolarHBondContact O-N 2.94Å; L49-W51 VanDerWaalsContact C-N 3.31Å; W51-N53 PolarHBondContact O-N 3.33Å; W51-N53 VanDerWaalsContact O-N 3.13Å; W51-F54 PolarHBondContact O-N 3.18Å; W51-A55 VanDerWaalsContact O-CB 3.28Å; W51-A55 WeakPolarHBondContact O-CB 3.43Å; W51-A55 PolarHBondContact O-N 3.36Å; W51-D62 WeakPolarHBondContact CZ2-O 3.35Å; W51-D62 PolarHBondContact NE1-O 3.31Å; W51-M65 HydrophobicContact CD2-CE 3.91Å; W51-M65 HydrophobicContact CE3-CB 4.29Å; W51-M65 HydrophobicContact CE3-CE 3.65Å; W51-M65 HydrophobicContact CG-CE 4.36Å; W51-M65 HydrophobicContact CH2-CB 3.53Å; W51-M65 VanDerWaalsContact CH2-N 3.34Å; W51-M65 HydrophobicContact CZ2-CB 4.16Å; W51-M65 HydrophobicContact CZ3-CB 3.59Å; W51-M65 HydrophobicContact CZ3-CE 4.1Å
52	D	90.1	Very high	79.9	Confident	76 Å²	76	61.5 Å²	61.5	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-69	-12.9	-173.3	-64.4	-9	0	0	0	113.9	K32 D48 L49 K92	K32-D52 IonicContact NZ-OD1 2.93Å; K32-D52 PolarHBondContact NZ-OD1 2.81Å; D48-D52 WeakPolarHBondContact O-CB 3.38Å; D48-D52 PolarHBondContact O-N 3.32Å; L49-D52 PolarHBondContact O-N 3.46Å; D52-K92 PolarHBondContact O-NZ 2.95Å
53	N	89.7	Confident	79.7	Confident	54 Å²	54	66.1 Å²	66.1	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-92.1	-18.2	173.1	-82.5	-80.1	0	0	0	113.3	L49 W51 L90 K92	L49-N53 WeakPolarHBondContact O-CB 3.4Å; L49-N53 PolarHBondContact O-N 3.42Å; L49-N53 VanDerWaalsContact O-N 3.1Å; L49-N53 PolarHBondContact O-ND2 2.93Å; W51-N53 PolarHBondContact O-N 3.33Å; W51-N53 VanDerWaalsContact O-N 3.13Å; N53-L90 HydrophobicContact CB-CD2 4.11Å; N53-L90 PolarHBondContact ND2-O 2.86Å; N53-K92 VanDerWaalsContact OD1-CE 3.22Å; N53-K92 WeakPolarHBondContact OD1-CE 3.44Å
54	F	88.8	Confident	79.6	Confident	33 Å²	33	68.5 Å²	68.5	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-119	-19.1	-175.1	-74.6	-100	0	0	0	114.2	L50 W51 M65 I73 Y76	L50-F54 VanDerWaalsContact O-CD2 3.25Å; L50-F54 WeakPolarHBondContact O-CD2 3.44Å; L50-F54 PolarHBondContact O-N 3.05Å; W51-F54 PolarHBondContact O-N 3.18Å; F54-M65 HydrophobicContact CB-CE 4.06Å; F54-I73 HydrophobicContact CB-CD1 4.03Å; F54-I73 HydrophobicContact CB-CG1 3.9Å; F54-I73 HydrophobicContact CD1-CG1 3.55Å; F54-I73 HydrophobicContact CD2-CD1 4.36Å; F54-I73 HydrophobicContact CD2-CG1 3.75Å; F54-I73 HydrophobicContact CE1-CG1 3.94Å; F54-I73 HydrophobicContact CE2-CG1 4.11Å; F54-I73 HydrophobicContact CG-CD1 4.08Å; F54-I73 HydrophobicContact CG-CG1 3.45Å; F54-I73 VanDerWaalsContact CG-CG1 3.45Å; F54-I73 HydrophobicContact CZ-CG1 4.2Å; F54-Y76 HydrophobicContact CE2-CD1 4.1Å; F54-Y76 AromaticContact CZ-CD1 3.61Å; F54-Y76 HydrophobicContact CZ-CD1 3.61Å; F54-Y76 HydrophobicContact CZ-CE1 4.31Å; F54-Y76 AromaticContact CZ-CG 3.74Å; F54-Y76 HydrophobicContact CZ-CG 3.74Å
55	A	81.6	Confident	79.4	Confident	23 Å²	23	65.9 Å²	65.9	19%	0.19	34%	0.34	C	S	.	.	S	Bend	trans	-59.7	141.9	171.6	0	0	0	0	0	110.5	W51	W51-A55 VanDerWaalsContact O-CB 3.28Å; W51-A55 WeakPolarHBondContact O-CB 3.43Å; W51-A55 PolarHBondContact O-N 3.36Å
56	D	68.2	Low	79.3	Confident	60 Å²	60	63.7 Å²	63.7	32%	0.321	33%	0.329	S	S	.	.			trans	-79.9	122.2	180	-83.7	-44.4	0	0	0	110.4	R58 N59 K69	D56-R58 PolarHBondContact O-N 3.34Å; D56-N59 PolarHBondContact O-N 2.73Å; D56-K69 VanDerWaalsContact OD1-CE 3.27Å; D56-K69 WeakPolarHBondContact OD1-CE 3.44Å; D56-K69 IonicContact OD1-NZ 2.68Å; D56-K69 PolarHBondContact OD1-NZ 2.89Å; D56-K69 WeakPolarHBondContact OD2-CE 3.47Å; D56-K69 IonicContact OD2-NZ 3.68Å
57	D	63	Low	79	Confident	167 Å²	167	65 Å²	65	89%	0.893	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-12.5	170.1	-69.6	-26.3	0	0	0	113.8
58	R	53.6	Low	78.7	Confident	230 Å²	230	72.6 Å²	72.6	87%	0.868	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.6	-171.4	-58.3	-172.2	-162.9	-174.6	5.8	114.4	D56	D56-R58 PolarHBondContact O-N 3.34Å
59	N	52.9	Low	78.5	Confident	83 Å²	83	73.5 Å²	73.5	44%	0.444	37%	0.371	S	S	.	.			trans	-92.1	114.4	173.5	-78.3	-10.8	0	0	0	108.1	D56 N61	D56-N59 PolarHBondContact O-N 2.73Å; N59-N61 PolarHBondContact O-N 3.48Å
60	S	49	Very low	78.4	Confident	125 Å²	125	71.4 Å²	71.4	87%	0.874	36%	0.36	S	S	*	.	S	Bend	trans	-61.2	-4.8	177.1	54.5	0	0	0	0	114.2
61	N	57	Low	78.2	Confident	89 Å²	89	73.6 Å²	73.6	48%	0.476	37%	0.37	S	S	.	.			trans	-115.8	95	170.6	-69.2	-0.8	0	0	0	108.3	N59 E63	N59-N61 PolarHBondContact O-N 3.48Å; N61-E63 PolarHBondContact O-N 3.45Å
62	D	68.1	Low	78.1	Confident	113 Å²	113	75.4 Å²	75.4	60%	0.604	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	5.7	167.9	-84	-30.1	0	0	0	113.7	W51	W51-D62 WeakPolarHBondContact CZ2-O 3.35Å; W51-D62 PolarHBondContact NE1-O 3.31Å
63	E	82.9	Confident	78.2	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-23.7	-174.4	-65.5	-172.9	161.2	0	0	113.2	S31 K32 N61	S31-E63 CarbonylContact C-O 3.58Å; S31-E63 WeakPolarHBondContact CA-O 3.42Å; K32-E63 PolarHBondContact N-O 2.9Å; N61-E63 PolarHBondContact O-N 3.45Å
64	F	87.3	Confident	78.2	Confident	50 Å²	50	70.1 Å²	70.1	22%	0.219	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.4	-171.9	-60.9	-76.7	0	0	0	114.1	V29 I30	V29-F64 HydrophobicContact CB-CB 4.17Å; V29-F64 HydrophobicContact CB-CD1 4.34Å; V29-F64 HydrophobicContact CG2-CB 4.35Å; V29-F64 HydrophobicContact CG2-CD1 3.75Å; V29-F64 HydrophobicContact CG2-CE1 4.43Å; V29-F64 HydrophobicContact CG2-CG 4.26Å; I30-F64 WeakPolarHBondContact O-CA 3.46Å
65	M	88.4	Confident	78.3	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.8	173.1	-177.9	-176	-63.6	0	0	110.2	V29 I30 W51 F54 K69 I73	V29-M65 CarbonylContact C-O 3.54Å; V29-M65 VanDerWaalsContact CA-O 3.29Å; V29-M65 WeakPolarHBondContact CA-O 3.4Å; I30-M65 HydrophobicContact CG2-CB 4.08Å; I30-M65 PolarHBondContact N-O 3.3Å; I30-M65 PolarHBondContact O-N 2.92Å; W51-M65 HydrophobicContact CD2-CE 3.91Å; W51-M65 HydrophobicContact CE3-CB 4.29Å; W51-M65 HydrophobicContact CE3-CE 3.65Å; W51-M65 HydrophobicContact CG-CE 4.36Å; W51-M65 HydrophobicContact CH2-CB 3.53Å; W51-M65 VanDerWaalsContact CH2-N 3.34Å; W51-M65 HydrophobicContact CZ2-CB 4.16Å; W51-M65 HydrophobicContact CZ3-CB 3.59Å; W51-M65 HydrophobicContact CZ3-CE 4.1Å; F54-M65 HydrophobicContact CB-CE 4.06Å; M65-K69 HydrophobicContact CG-CB 3.7Å; M65-K69 HydrophobicContact SD-CB 4.13Å; M65-I73 HydrophobicContact CE-CD1 3.92Å; M65-I73 HydrophobicContact SD-CD1 3.69Å
66	V	88.3	Confident	78.7	Confident	24 Å²	24	77 Å²	77	15%	0.145	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	147.6	178.2	-59.8	0	0	0	0	111.8	E27 V29 K68 K69 Y70	E27-V66 WeakPolarHBondContact OE2-CG1 3.33Å; V29-V66 HydrophobicContact CG1-CG1 4.07Å; V66-K68 PolarHBondContact O-N 2.78Å; V66-K69 HydrophobicContact CG2-CB 4.09Å; V66-K69 HydrophobicContact CG2-CG 3.61Å; V66-K69 WeakPolarHBondContact O-CB 3.49Å; V66-K69 PolarHBondContact O-N 3.28Å; V66-Y70 PolarHBondContact O-N 3.18Å; V66-Y70 VanDerWaalsContact O-N 3.15Å
67	L	86.7	Confident	79.7	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-48.4	-40.1	-177.9	180	66.9	0	0	0	113.8	V15 F21 Q28 K69 Y70 Q71	V15-L67 HydrophobicContact CB-CD1 4.42Å; V15-L67 HydrophobicContact CG1-CD1 3.36Å; F21-L67 HydrophobicContact CD1-CD1 4.19Å; F21-L67 HydrophobicContact CD2-CD1 4.27Å; F21-L67 HydrophobicContact CE1-CB 4.29Å; F21-L67 HydrophobicContact CE1-CD1 3.7Å; F21-L67 HydrophobicContact CE2-CD1 3.79Å; F21-L67 HydrophobicContact CG-CD1 4.48Å; F21-L67 HydrophobicContact CZ-CD1 3.49Å; F21-L67 VanDerWaalsContact CZ-CD1 3.49Å; Q28-L67 HydrophobicContact CB-CB 4.11Å; Q28-L67 HydrophobicContact CB-CD2 4.35Å; Q28-L67 WeakPolarHBondContact O-CB 3.43Å; Q28-L67 PolarHBondContact O-N 3.41Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.9Å; L67-Y70 WeakPolarHBondContact O-CB 3.14Å; L67-Y70 PolarHBondContact O-N 3.27Å; L67-Q71 WeakPolarHBondContact O-CG 3.47Å; L67-Q71 PolarHBondContact O-N 2.89Å
68	K	86.9	Confident	80.9	Confident	161 Å²	161	69.7 Å²	69.7	70%	0.7	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-37.2	-180	-173.8	180	178.3	-177	0	112.5	V66 S72	V66-K68 PolarHBondContact O-N 2.78Å; K68-S72 PolarHBondContact O-N 3.18Å; K68-S72 PolarHBondContact O-OG 3.34Å
69	K	89.2	Confident	82.5	Confident	60 Å²	60	63.3 Å²	63.3	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-73	-41	176.8	-68.5	-67.5	-170.1	135.3	0	110.9	D56 M65 V66 L67 Q71 S72 I73	D56-K69 VanDerWaalsContact OD1-CE 3.27Å; D56-K69 WeakPolarHBondContact OD1-CE 3.44Å; D56-K69 IonicContact OD1-NZ 2.68Å; D56-K69 PolarHBondContact OD1-NZ 2.89Å; D56-K69 WeakPolarHBondContact OD2-CE 3.47Å; D56-K69 IonicContact OD2-NZ 3.68Å; M65-K69 HydrophobicContact CG-CB 3.7Å; M65-K69 HydrophobicContact SD-CB 4.13Å; V66-K69 HydrophobicContact CG2-CB 4.09Å; V66-K69 HydrophobicContact CG2-CG 3.61Å; V66-K69 WeakPolarHBondContact O-CB 3.49Å; V66-K69 PolarHBondContact O-N 3.28Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.9Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 2.93Å; K69-S72 WeakPolarHBondContact O-CA 3.44Å; K69-S72 VanDerWaalsContact O-CB 3.25Å; K69-S72 WeakPolarHBondContact O-CB 3.38Å; K69-S72 PolarHBondContact O-N 3.04Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.13Å
70	Y	89.8	Confident	84	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.8	-45.3	171.5	-176.4	-88.6	0	0	0	112.2	V15 F21 I30 F35 K38 V66 L67 S72 I73 I74 L163	V15-Y70 HydrophobicContact CG1-CD1 3.61Å; V15-Y70 HydrophobicContact CG1-CE1 3.73Å; F21-Y70 HydrophobicContact CE1-CG 4.34Å; F21-Y70 HydrophobicContact CE2-CD1 4.35Å; F21-Y70 HydrophobicContact CE2-CE1 4.35Å; F21-Y70 AromaticContact CZ-CD1 3.66Å; F21-Y70 HydrophobicContact CZ-CD1 3.66Å; F21-Y70 HydrophobicContact CZ-CD2 4.07Å; F21-Y70 HydrophobicContact CZ-CE1 4.03Å; F21-Y70 HydrophobicContact CZ-CE2 4.4Å; F21-Y70 AromaticContact CZ-CG 3.66Å; F21-Y70 HydrophobicContact CZ-CG 3.66Å; I30-Y70 HydrophobicContact CD1-CE2 4.36Å; I30-Y70 HydrophobicContact CG2-CD2 4.15Å; F35-Y70 AromaticContact CD2-CD2 4Å; F35-Y70 HydrophobicContact CD2-CD2 4Å; F35-Y70 AromaticContact CD2-CE2 3.79Å; F35-Y70 HydrophobicContact CD2-CE2 3.79Å; F35-Y70 HydrophobicContact CE2-CD2 4.03Å; F35-Y70 AromaticContact CE2-CE2 3.84Å; F35-Y70 HydrophobicContact CE2-CE2 3.84Å; K38-Y70 WeakPolarHBondContact CE-OH 3.47Å; K38-Y70 PolarHBondContact NZ-OH 3.35Å; V66-Y70 PolarHBondContact O-N 3.18Å; V66-Y70 VanDerWaalsContact O-N 3.15Å; L67-Y70 WeakPolarHBondContact O-CB 3.14Å; L67-Y70 PolarHBondContact O-N 3.27Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.17Å; Y70-I73 WeakPolarHBondContact O-CB 3.46Å; Y70-I73 PolarHBondContact O-N 3.01Å; Y70-I73 VanDerWaalsContact O-N 3.13Å; Y70-I74 HydrophobicContact CD1-CD1 4Å; Y70-I74 HydrophobicContact CE1-CD1 3.53Å; Y70-I74 HydrophobicContact CE1-CG1 4.41Å; Y70-I74 PolarHBondContact O-N 2.89Å; Y70-L163 HydrophobicContact CE2-CD2 3.85Å; Y70-L163 VanDerWaalsContact OH-C 3.28Å; Y70-L163 VanDerWaalsContact OH-CA 3.24Å; Y70-L163 WeakPolarHBondContact OH-CA 3.27Å; Y70-L163 PolarHBondContact OH-O 3.31Å
71	Q	89.2	Confident	85.7	Confident	47 Å²	47	64.3 Å²	64.3	22%	0.22	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-37.4	173.5	-74.4	175	-24.5	0	0	112.2	V15 L67 K69 I73 I74 E75	V15-Q71 HydrophobicContact CB-CG 4.36Å; V15-Q71 HydrophobicContact CG1-CG 4.11Å; V15-Q71 HydrophobicContact CG2-CG 4.15Å; L67-Q71 WeakPolarHBondContact O-CG 3.47Å; L67-Q71 PolarHBondContact O-N 2.89Å; K69-Q71 VanDerWaalsContact C-N 3.32Å; K69-Q71 PolarHBondContact O-N 2.93Å; Q71-I73 VanDerWaalsContact C-N 3.25Å; Q71-I73 PolarHBondContact O-N 3.49Å; Q71-I74 PolarHBondContact O-N 3.05Å; Q71-E75 WeakPolarHBondContact O-CG 3.25Å; Q71-E75 PolarHBondContact O-N 3.26Å
72	S	90.4	Very high	87.1	Confident	39 Å²	39	61.7 Å²	61.7	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-31.6	176.3	-53.7	0	0	0	0	112.2	K68 K69 Y70 Y76	K68-S72 PolarHBondContact O-N 3.18Å; K68-S72 PolarHBondContact O-OG 3.34Å; K69-S72 WeakPolarHBondContact O-CA 3.44Å; K69-S72 VanDerWaalsContact O-CB 3.25Å; K69-S72 WeakPolarHBondContact O-CB 3.38Å; K69-S72 PolarHBondContact O-N 3.04Å; Y70-S72 VanDerWaalsContact C-N 3.28Å; Y70-S72 PolarHBondContact O-N 3.17Å; S72-Y76 WeakPolarHBondContact O-CB 3.28Å; S72-Y76 PolarHBondContact O-N 3.09Å
73	I	91.3	Very high	88.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-47.6	173.6	-61.7	171.3	0	0	0	110.4	F35 L50 F54 M65 K69 Y70 Q71 E75 Y76 L77 L163	F35-I73 HydrophobicContact CE2-CD1 4.08Å; F35-I73 HydrophobicContact CZ-CD1 4.13Å; L50-I73 HydrophobicContact CD2-CG2 4.34Å; F54-I73 HydrophobicContact CB-CD1 4.03Å; F54-I73 HydrophobicContact CB-CG1 3.9Å; F54-I73 HydrophobicContact CD1-CG1 3.55Å; F54-I73 HydrophobicContact CD2-CD1 4.36Å; F54-I73 HydrophobicContact CD2-CG1 3.75Å; F54-I73 HydrophobicContact CE1-CG1 3.94Å; F54-I73 HydrophobicContact CE2-CG1 4.11Å; F54-I73 HydrophobicContact CG-CD1 4.08Å; F54-I73 HydrophobicContact CG-CG1 3.45Å; F54-I73 VanDerWaalsContact CG-CG1 3.45Å; F54-I73 HydrophobicContact CZ-CG1 4.2Å; M65-I73 HydrophobicContact CE-CD1 3.92Å; M65-I73 HydrophobicContact SD-CD1 3.69Å; K69-I73 PolarHBondContact O-N 2.95Å; K69-I73 VanDerWaalsContact O-N 3.13Å; Y70-I73 WeakPolarHBondContact O-CB 3.46Å; Y70-I73 PolarHBondContact O-N 3.01Å; Y70-I73 VanDerWaalsContact O-N 3.13Å; Q71-I73 VanDerWaalsContact C-N 3.25Å; Q71-I73 PolarHBondContact O-N 3.49Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.28Å; I73-Y76 WeakPolarHBondContact O-CB 3.28Å; I73-Y76 PolarHBondContact O-N 2.96Å; I73-L77 HydrophobicContact CG2-CD1 4.12Å; I73-L77 WeakPolarHBondContact O-CG 2.81Å; I73-L77 PolarHBondContact O-N 3.1Å; I73-L163 HydrophobicContact CG2-CD1 3.9Å
74	I	90.2	Very high	88.6	Confident	18 Å²	18	53.3 Å²	53.3	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-43.8	179.3	-65.6	170.6	0	0	0	110.4	V15 Y70 Q71 Y76 L77 S78 L160 L163	V15-I74 HydrophobicContact CG2-CD1 3.7Å; Y70-I74 HydrophobicContact CD1-CD1 4Å; Y70-I74 HydrophobicContact CE1-CD1 3.53Å; Y70-I74 HydrophobicContact CE1-CG1 4.41Å; Y70-I74 PolarHBondContact O-N 2.89Å; Q71-I74 PolarHBondContact O-N 3.05Å; I74-Y76 VanDerWaalsContact C-N 3.35Å; I74-L77 PolarHBondContact O-N 2.95Å; I74-S78 VanDerWaalsContact O-CB 3.26Å; I74-S78 WeakPolarHBondContact O-CB 3.4Å; I74-S78 PolarHBondContact O-N 3.25Å; I74-S78 PolarHBondContact O-OG 3.33Å; I74-L160 HydrophobicContact CG2-CD2 4.03Å; I74-L163 HydrophobicContact CD1-CB 4.12Å; I74-L163 HydrophobicContact CG1-CB 3.92Å; I74-L163 HydrophobicContact CG1-CD1 4.13Å
75	E	90.2	Very high	88.8	Confident	124 Å²	124	56.3 Å²	56.3	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-41.9	175.5	-72.8	176.9	-177.7	0	0	111.5	Q71 I73 S78 S79	Q71-E75 WeakPolarHBondContact O-CG 3.25Å; Q71-E75 PolarHBondContact O-N 3.26Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.28Å; E75-S78 PolarHBondContact O-N 2.82Å; E75-S79 WeakPolarHBondContact O-CB 3.35Å; E75-S79 PolarHBondContact O-N 3.47Å; E75-S79 PolarHBondContact O-OG 3.33Å
76	Y	90.1	Very high	88.8	Confident	76 Å²	76	56.4 Å²	56.4	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-44.8	178	-174.3	-118.6	0	0	0	112.3	F54 S72 I73 I74 V86 S89	F54-Y76 HydrophobicContact CE2-CD1 4.1Å; F54-Y76 AromaticContact CZ-CD1 3.61Å; F54-Y76 HydrophobicContact CZ-CD1 3.61Å; F54-Y76 HydrophobicContact CZ-CE1 4.31Å; F54-Y76 AromaticContact CZ-CG 3.74Å; F54-Y76 HydrophobicContact CZ-CG 3.74Å; S72-Y76 WeakPolarHBondContact O-CB 3.28Å; S72-Y76 PolarHBondContact O-N 3.09Å; I73-Y76 WeakPolarHBondContact O-CB 3.28Å; I73-Y76 PolarHBondContact O-N 2.96Å; I74-Y76 VanDerWaalsContact C-N 3.35Å; Y76-V86 HydrophobicContact CD1-CG1 3.78Å; Y76-V86 HydrophobicContact CD1-CG2 4.5Å; Y76-V86 HydrophobicContact CE1-CB 4.04Å; Y76-V86 HydrophobicContact CE1-CG1 3.38Å; Y76-V86 HydrophobicContact CE1-CG2 4.05Å; Y76-V86 HydrophobicContact CE2-CG2 4.4Å; Y76-S89 PolarHBondContact OH-OG 3Å
77	L	90.1	Very high	89	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-35	176.5	-69.3	171	0	0	0	112.9	I73 I74 V86 F87 L159 L160 L163	I73-L77 HydrophobicContact CG2-CD1 4.12Å; I73-L77 WeakPolarHBondContact O-CG 2.81Å; I73-L77 PolarHBondContact O-N 3.1Å; I74-L77 PolarHBondContact O-N 2.95Å; L77-V86 HydrophobicContact CD2-CG1 3.83Å; L77-F87 HydrophobicContact CD2-CE1 4.38Å; L77-F87 HydrophobicContact CD2-CZ 4.33Å; L77-L159 HydrophobicContact CD1-CB 4.07Å; L77-L159 HydrophobicContact CD1-CD1 4.4Å; L77-L159 HydrophobicContact CD2-CD1 4.35Å; L77-L160 HydrophobicContact CB-CD2 3.77Å; L77-L160 HydrophobicContact CB-CG 4.32Å; L77-L160 HydrophobicContact CD1-CD2 4.47Å; L77-L163 HydrophobicContact CD1-CD1 3.69Å
78	S	87.5	Confident	89.3	Confident	73 Å²	73	54.1 Å²	54.1	51%	0.51	28%	0.275	S	S	.	.	H	α-helix	trans	-82.4	-33.4	-175.3	-56.9	0	0	0	0	113.8	I74 E75 L160	I74-S78 VanDerWaalsContact O-CB 3.26Å; I74-S78 WeakPolarHBondContact O-CB 3.4Å; I74-S78 PolarHBondContact O-N 3.25Å; I74-S78 PolarHBondContact O-OG 3.33Å; E75-S78 PolarHBondContact O-N 2.82Å; S78-L160 WeakPolarHBondContact OG-CD2 3.2Å
79	S	87	Confident	89.4	Confident	95 Å²	95	48.7 Å²	48.7	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-94.9	-10.4	-171	65.8	0	0	0	0	114.5	E75 Q81	E75-S79 WeakPolarHBondContact O-CB 3.35Å; E75-S79 PolarHBondContact O-N 3.47Å; E75-S79 PolarHBondContact O-OG 3.33Å; S79-Q81 PolarHBondContact O-N 3.04Å
80	A	83.9	Confident	89.5	Confident	26 Å²	26	45.9 Å²	45.9	22%	0.215	25%	0.245	C	C	.	.			trans	-65.2	124.4	-177	0	0	0	0	0	112.1	D82 V86	A80-D82 VanDerWaalsContact C-N 3.31Å; A80-V86 HydrophobicContact CB-CG2 3.17Å
81	Q	84.4	Confident	89.3	Confident	203 Å²	203	47.4 Å²	47.4	95%	0.949	25%	0.252	S	S	*	.	S	Bend	trans	-65.9	-38.8	173	-175.4	177.1	-7.6	0	0	111.2	S79	S79-Q81 PolarHBondContact O-N 3.04Å
82	D	87.2	Confident	88.9	Confident	34 Å²	34	52 Å²	52	18%	0.182	27%	0.271	C	S	.	.			trans	-115.1	102.6	174.1	-166.9	-28.6	0	0	0	109.7	A80 L84 E85 V86 V141 N145	A80-D82 VanDerWaalsContact C-N 3.31Å; D82-L84 PolarHBondContact O-N 3Å; D82-L84 WeakPolarHBondContact OD1-CB 3.24Å; D82-L84 PolarHBondContact OD1-N 2.79Å; D82-E85 HydrophobicContact CB-CB 3.97Å; D82-E85 PolarHBondContact O-N 3.48Å; D82-E85 PolarHBondContact OD1-N 3.14Å; D82-V86 PolarHBondContact O-N 3.29Å; D82-V141 WeakPolarHBondContact OD2-CG1 3.16Å; D82-N145 PolarHBondContact OD2-ND2 3.46Å
83	K	90.5	Very high	88.5	Confident	56 Å²	56	54.9 Å²	54.9	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-27.1	-179.8	-68.1	175.5	178.5	-179.4	0	112.5	V86 F87 C152 N153 V156	K83-V86 WeakPolarHBondContact O-CB 3.38Å; K83-F87 WeakPolarHBondContact O-CD2 3.36Å; K83-F87 WeakPolarHBondContact O-CE2 3.31Å; K83-C152 HydrophobicContact CB-CB 3.85Å; K83-N153 WeakPolarHBondContact CD-OD1 3.42Å; K83-N153 PolarHBondContact NZ-OD1 2.99Å; K83-V156 HydrophobicContact CB-CG2 3.98Å; K83-V156 HydrophobicContact CD-CB 4.08Å; K83-V156 HydrophobicContact CD-CG1 4.26Å; K83-V156 HydrophobicContact CD-CG2 3.82Å; K83-V156 HydrophobicContact CG-CG2 4Å
84	L	92.5	Very high	88.2	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-72.8	-39.1	178.6	174.6	59.9	0	0	0	110.8	D82 V86 F87 L88 L104 F108 V141 L144 C152	D82-L84 PolarHBondContact O-N 3Å; D82-L84 WeakPolarHBondContact OD1-CB 3.24Å; D82-L84 PolarHBondContact OD1-N 2.79Å; L84-V86 PolarHBondContact O-N 3.15Å; L84-F87 PolarHBondContact O-N 2.56Å; L84-L88 HydrophobicContact CD1-CD1 4.26Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.84Å; L84-L104 HydrophobicContact CD1-CD2 4.41Å; L84-F108 HydrophobicContact CD1-CE2 4.11Å; L84-F108 HydrophobicContact CD1-CZ 3.7Å; L84-V141 HydrophobicContact CD2-CG2 4.36Å; L84-V141 HydrophobicContact CG-CG2 4.38Å; L84-L144 HydrophobicContact CD1-CD1 4.18Å; L84-L144 HydrophobicContact CD2-CB 3.61Å; L84-L144 HydrophobicContact CD2-CD1 3.83Å; L84-L144 HydrophobicContact CD2-CG 4.28Å; L84-C152 VanDerWaalsContact CA-SG 3.58Å
85	E	90.3	Very high	88	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.533	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-34	177.4	-166.4	168.6	-171.6	0	0	112.1	D82 L88 S89	D82-E85 HydrophobicContact CB-CB 3.97Å; D82-E85 PolarHBondContact O-N 3.48Å; D82-E85 PolarHBondContact OD1-N 3.14Å; E85-L88 PolarHBondContact O-N 3.13Å; E85-S89 WeakPolarHBondContact O-CB 3.44Å; E85-S89 PolarHBondContact O-N 2.92Å
86	V	89.7	Confident	88.1	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-54	-55.5	171.6	165.1	0	0	0	0	111.2	Y76 L77 A80 D82 K83 L84 L88 S89	Y76-V86 HydrophobicContact CD1-CG1 3.78Å; Y76-V86 HydrophobicContact CD1-CG2 4.5Å; Y76-V86 HydrophobicContact CE1-CB 4.04Å; Y76-V86 HydrophobicContact CE1-CG1 3.38Å; Y76-V86 HydrophobicContact CE1-CG2 4.05Å; Y76-V86 HydrophobicContact CE2-CG2 4.4Å; L77-V86 HydrophobicContact CD2-CG1 3.83Å; A80-V86 HydrophobicContact CB-CG2 3.17Å; D82-V86 PolarHBondContact O-N 3.29Å; K83-V86 WeakPolarHBondContact O-CB 3.38Å; L84-V86 PolarHBondContact O-N 3.15Å; V86-L88 PolarHBondContact O-N 3.41Å; V86-S89 PolarHBondContact O-N 3.48Å; V86-S89 PolarHBondContact O-OG 3.33Å
87	F	92.8	Very high	88.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-36.5	-177.1	-64.2	-68.1	0	0	0	112.9	L46 L77 K83 L84 S89 L90 L104 F108 C152 L155 V156 L159	L46-F87 HydrophobicContact CD1-CD1 4.17Å; L46-F87 HydrophobicContact CD1-CE1 4.43Å; L46-F87 HydrophobicContact CD2-CE1 4.3Å; L77-F87 HydrophobicContact CD2-CE1 4.38Å; L77-F87 HydrophobicContact CD2-CZ 4.33Å; K83-F87 WeakPolarHBondContact O-CD2 3.36Å; K83-F87 WeakPolarHBondContact O-CE2 3.31Å; L84-F87 PolarHBondContact O-N 2.56Å; F87-S89 VanDerWaalsContact C-N 3.33Å; F87-S89 PolarHBondContact O-N 3.24Å; F87-L90 HydrophobicContact CD1-CD1 4.28Å; F87-L90 WeakPolarHBondContact O-CB 3.29Å; F87-L90 PolarHBondContact O-N 3.46Å; F87-L104 HydrophobicContact CB-CD1 3.79Å; F87-F108 AromaticContact CD2-CE1 3.99Å; F87-F108 HydrophobicContact CD2-CE1 3.99Å; F87-F108 HydrophobicContact CE2-CE1 4.48Å; F87-F108 HydrophobicContact CG-CE1 4.33Å; F87-C152 HydrophobicContact CD2-CB 4.26Å; F87-C152 HydrophobicContact CE2-CB 3.98Å; F87-L155 HydrophobicContact CD1-CD2 4.12Å; F87-L155 HydrophobicContact CD2-CD2 4.49Å; F87-L155 HydrophobicContact CE1-CD2 3.59Å; F87-L155 HydrophobicContact CE1-CG 4.08Å; F87-L155 HydrophobicContact CE2-CD2 4.02Å; F87-L155 HydrophobicContact CE2-CG 4.43Å; F87-L155 HydrophobicContact CZ-CB 4.36Å; F87-L155 HydrophobicContact CZ-CD2 3.54Å; F87-L155 HydrophobicContact CZ-CG 3.74Å; F87-V156 HydrophobicContact CE2-CG2 3.58Å; F87-V156 HydrophobicContact CZ-CG2 3.65Å; F87-L159 HydrophobicContact CE1-CD1 3.67Å; F87-L159 HydrophobicContact CZ-CD1 3.94Å
88	L	92.1	Very high	88.1	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-40.1	176.7	-70.3	173.2	0	0	0	111.6	L84 E85 V86 L90 F91 L96 L104 H137 I140 V141	L84-L88 HydrophobicContact CD1-CD1 4.26Å; L84-L88 HydrophobicContact CD1-CG 4.23Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 2.84Å; E85-L88 PolarHBondContact O-N 3.13Å; V86-L88 PolarHBondContact O-N 3.41Å; L88-L90 PolarHBondContact O-N 3.01Å; L88-F91 PolarHBondContact O-N 2.88Å; L88-L96 HydrophobicContact CD2-CD1 3.57Å; L88-L104 HydrophobicContact CD2-CD2 3.7Å; L88-H137 HydrophobicContact CD1-CB 4.46Å; L88-H137 PolarHBondContact O-CE1 3.44Å; L88-I140 HydrophobicContact CD1-CB 4.28Å; L88-I140 HydrophobicContact CD1-CG2 4.11Å; L88-I140 HydrophobicContact CD2-CD1 4.09Å; L88-I140 HydrophobicContact CD2-CG2 4.23Å; L88-V141 HydrophobicContact CD1-CG2 3.38Å
89	S	89.5	Confident	88.3	Confident	47 Å²	47	64.7 Å²	64.7	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-25.6	-179.6	79.3	0	0	0	0	113.6	Y76 E85 V86 F87 F91 K92	Y76-S89 PolarHBondContact OH-OG 3Å; E85-S89 WeakPolarHBondContact O-CB 3.44Å; E85-S89 PolarHBondContact O-N 2.92Å; V86-S89 PolarHBondContact O-N 3.48Å; V86-S89 PolarHBondContact O-OG 3.33Å; F87-S89 VanDerWaalsContact C-N 3.33Å; F87-S89 PolarHBondContact O-N 3.24Å; S89-F91 PolarHBondContact O-N 3.32Å; S89-K92 PolarHBondContact O-N 3.11Å
90	L	90.8	Very high	88.5	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.8	-179.4	-63	178.4	0	0	0	113.1	L46 L49 L50 N53 F87 L88 K92	L46-L90 HydrophobicContact CD1-CD1 3.59Å; L49-L90 HydrophobicContact CB-CB 4.45Å; L50-L90 HydrophobicContact CD2-CD1 3.85Å; L50-L90 HydrophobicContact CD2-CD2 3.94Å; L50-L90 HydrophobicContact CG-CD1 4.23Å; N53-L90 HydrophobicContact CB-CD2 4.11Å; N53-L90 PolarHBondContact ND2-O 2.86Å; F87-L90 HydrophobicContact CD1-CD1 4.28Å; F87-L90 WeakPolarHBondContact O-CB 3.29Å; F87-L90 PolarHBondContact O-N 3.46Å; L88-L90 PolarHBondContact O-N 3.01Å; L90-K92 PolarHBondContact O-N 3.48Å
91	F	86.2	Confident	88.9	Confident	32 Å²	32	61 Å²	61	14%	0.14	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.2	-179.7	-74.1	-88.6	0	0	0	113.4	L88 S89 L93 L96 D100 L104 W107	L88-F91 PolarHBondContact O-N 2.88Å; S89-F91 PolarHBondContact O-N 3.32Å; F91-L93 PolarHBondContact O-N 3.25Å; F91-L96 HydrophobicContact CB-CD2 3.67Å; F91-L96 HydrophobicContact CD1-CD2 3.92Å; F91-L96 HydrophobicContact CD2-CD1 4.41Å; F91-L96 HydrophobicContact CD2-CD2 4.11Å; F91-L96 HydrophobicContact CG-CD2 3.63Å; F91-D100 HydrophobicContact CD1-CB 4.25Å; F91-D100 HydrophobicContact CE1-CB 3.89Å; F91-L104 HydrophobicContact CE2-CB 4.44Å; F91-L104 HydrophobicContact CE2-CD1 4.2Å; F91-L104 HydrophobicContact CZ-CB 4.43Å; F91-W107 HydrophobicContact CE1-CH2 4.26Å; F91-W107 AromaticContact CE2-CH2 3.62Å; F91-W107 HydrophobicContact CE2-CH2 3.62Å; F91-W107 AromaticContact CE2-CZ3 3.66Å; F91-W107 HydrophobicContact CE2-CZ3 3.66Å; F91-W107 AromaticContact CZ-CH2 3.39Å; F91-W107 HydrophobicContact CZ-CH2 3.39Å; F91-W107 HydrophobicContact CZ-CZ2 4.2Å; F91-W107 AromaticContact CZ-CZ3 3.83Å; F91-W107 HydrophobicContact CZ-CZ3 3.83Å
92	K	81	Confident	89.3	Confident	143 Å²	143	54.2 Å²	54.2	62%	0.622	27%	0.268	S	S	*	.			trans	56.9	-17.9	-175.4	-62	-179.2	-178.8	175.8	0	115.5	D52 N53 S89 L90	D52-K92 PolarHBondContact O-NZ 2.95Å; N53-K92 VanDerWaalsContact OD1-CE 3.22Å; N53-K92 WeakPolarHBondContact OD1-CE 3.44Å; S89-K92 PolarHBondContact O-N 3.11Å; L90-K92 PolarHBondContact O-N 3.48Å
93	L	82.2	Confident	89.5	Confident	100 Å²	100	53.7 Å²	53.7	52%	0.524	27%	0.268	S	S	.	.	S	Bend	trans	-84.9	152.2	173.3	-59.7	174.4	0	0	0	109.6	F91 V95 H137	F91-L93 PolarHBondContact O-N 3.25Å; L93-V95 VanDerWaalsContact C-N 3.34Å; L93-V95 WeakPolarHBondContact CB-O 3.44Å; L93-H137 PolarHBondContact O-CE1 2.9Å; L93-H137 PolarHBondContact O-NE2 3.39Å
94	R	83.1	Confident	89.6	Confident	219 Å²	219	51 Å²	51	83%	0.826	26%	0.257	S	S	*	.	S	Bend	trans	-90.1	-7	172.9	-66.9	-174.9	177.6	179.8	-1.5	113.3	H137	R94-H137 PolarHBondContact O-CD2 3.17Å; R94-H137 PolarHBondContact O-N 3.43Å
95	V	87.9	Confident	89.6	Confident	64 Å²	64	51 Å²	51	39%	0.388	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.5	-171.3	-76	0	0	0	0	108.1	L93 I134 Y135 K136	L93-V95 VanDerWaalsContact C-N 3.34Å; L93-V95 WeakPolarHBondContact CB-O 3.44Å; V95-I134 HydrophobicContact CB-CG2 3.47Å; V95-I134 VanDerWaalsContact CB-CG2 3.47Å; V95-I134 HydrophobicContact CG1-CG2 3.67Å; V95-I134 HydrophobicContact CG2-CG2 4.42Å; V95-Y135 WeakPolarHBondContact CA-O 3.42Å; V95-K136 HydrophobicContact CG1-CG 4.31Å
96	L	90.4	Very high	89.7	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.5	-178.3	-62.6	-173.2	0	0	0	109.9	L88 F91 D100 V101 Y135 I140	L88-L96 HydrophobicContact CD2-CD1 3.57Å; F91-L96 HydrophobicContact CB-CD2 3.67Å; F91-L96 HydrophobicContact CD1-CD2 3.92Å; F91-L96 HydrophobicContact CD2-CD1 4.41Å; F91-L96 HydrophobicContact CD2-CD2 4.11Å; F91-L96 HydrophobicContact CG-CD2 3.63Å; L96-D100 HydrophobicContact CB-CB 3.96Å; L96-D100 HydrophobicContact CD2-CB 3.98Å; L96-D100 HydrophobicContact CG-CB 4.38Å; L96-V101 HydrophobicContact CB-CG2 4.14Å; L96-Y135 PolarHBondContact N-O 2.71Å; L96-Y135 PolarHBondContact O-N 3.36Å; L96-I140 HydrophobicContact CB-CD1 4.48Å; L96-I140 HydrophobicContact CD1-CD1 3.82Å; L96-I140 HydrophobicContact CG-CD1 4.43Å
97	S	90.6	Very high	89.8	Confident	44 Å²	44	50.7 Å²	50.7	31%	0.308	25%	0.25	S	S	.	.			trans	-77.9	168.4	167.4	68.6	0	0	0	0	111	S99 D100 V101	S97-S99 PolarHBondContact O-N 2.93Å; S97-S99 PolarHBondContact OG-OG 3.09Å; S97-D100 WeakPolarHBondContact CB-OD2 3.49Å; S97-D100 PolarHBondContact N-OD2 3.31Å; S97-D100 PolarHBondContact O-N 2.86Å; S97-D100 VanDerWaalsContact O-N 3.16Å; S97-D100 PolarHBondContact OG-N 3.35Å; S97-D100 PolarHBondContact OG-OD2 3.36Å; S97-V101 WeakPolarHBondContact O-CG2 3.24Å; S97-V101 PolarHBondContact O-N 3.37Å; S97-V101 VanDerWaalsContact O-N 3.09Å
98	E	90.4	Very high	89.7	Confident	89 Å²	89	51.2 Å²	51.2	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-36	173.2	-166	-171.3	128.5	0	0	112.3	V101 K102 F123 Y135	E98-V101 PolarHBondContact O-N 2.93Å; E98-K102 WeakPolarHBondContact O-CG 3.25Å; E98-K102 PolarHBondContact O-N 3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.43Å; E98-K102 IonicContact OE1-NZ 2.86Å; E98-K102 PolarHBondContact OE1-NZ 3.28Å; E98-F123 HydrophobicContact CG-CD1 4.39Å; E98-F123 HydrophobicContact CG-CD2 4.32Å; E98-F123 HydrophobicContact CG-CE1 3.75Å; E98-F123 HydrophobicContact CG-CE2 3.7Å; E98-F123 HydrophobicContact CG-CZ 3.38Å; E98-Y135 HydrophobicContact CB-CE2 4.45Å
99	S	90.9	Very high	89.5	Confident	80 Å²	80	51.5 Å²	51.5	56%	0.559	25%	0.254	S	S	*	.	H	α-helix	trans	-65.3	-38.3	175.8	36.1	0	0	0	0	112.8	S97 K102 A103	S97-S99 PolarHBondContact O-N 2.93Å; S97-S99 PolarHBondContact OG-OG 3.09Å; S99-K102 PolarHBondContact O-N 2.6Å; S99-A103 PolarHBondContact O-N 2.81Å
100	D	91.5	Very high	89.3	Confident	43 Å²	43	50.4 Å²	50.4	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-40.9	178.4	-55.3	-40.3	0	0	0	110.5	F91 L96 S97 K102 A103 L104	F91-D100 HydrophobicContact CD1-CB 4.25Å; F91-D100 HydrophobicContact CE1-CB 3.89Å; L96-D100 HydrophobicContact CB-CB 3.96Å; L96-D100 HydrophobicContact CD2-CB 3.98Å; L96-D100 HydrophobicContact CG-CB 4.38Å; S97-D100 WeakPolarHBondContact CB-OD2 3.49Å; S97-D100 PolarHBondContact N-OD2 3.31Å; S97-D100 PolarHBondContact O-N 2.86Å; S97-D100 VanDerWaalsContact O-N 3.16Å; S97-D100 PolarHBondContact OG-N 3.35Å; S97-D100 PolarHBondContact OG-OD2 3.36Å; D100-K102 VanDerWaalsContact C-N 3.32Å; D100-K102 PolarHBondContact O-N 2.84Å; D100-A103 PolarHBondContact O-N 3.16Å; D100-L104 PolarHBondContact O-N 2.99Å
101	V	92	Very high	89	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-40.9	173.9	177.4	0	0	0	0	110.8	L96 S97 E98 A103 L104 F105 F123 L127 Y135 I140	L96-V101 HydrophobicContact CB-CG2 4.14Å; S97-V101 WeakPolarHBondContact O-CG2 3.24Å; S97-V101 PolarHBondContact O-N 3.37Å; S97-V101 VanDerWaalsContact O-N 3.09Å; E98-V101 PolarHBondContact O-N 2.93Å; V101-A103 VanDerWaalsContact C-N 3.35Å; V101-A103 PolarHBondContact O-N 3.31Å; V101-L104 PolarHBondContact O-N 3.16Å; V101-F105 HydrophobicContact CG1-CD2 3.87Å; V101-F105 HydrophobicContact CG1-CE2 3.82Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.46Å; V101-F105 PolarHBondContact O-N 3.38Å; V101-F123 HydrophobicContact CB-CE1 4.04Å; V101-F123 HydrophobicContact CB-CZ 4.47Å; V101-F123 HydrophobicContact CG1-CE1 3.68Å; V101-F123 HydrophobicContact CG1-CZ 4.21Å; V101-L127 HydrophobicContact CG1-CD1 3.57Å; V101-Y135 HydrophobicContact CG2-CD2 3.83Å; V101-Y135 HydrophobicContact CG2-CE2 4.43Å; V101-Y135 HydrophobicContact CG2-CG 4.03Å; V101-I140 HydrophobicContact CG2-CD1 4.32Å
102	K	92.8	Very high	89	Confident	62 Å²	62	54.4 Å²	54.4	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-42.6	174.5	-77.3	174.2	170.5	164.2	0	112.2	E98 S99 D100 F105 R106 W119 F123	E98-K102 WeakPolarHBondContact O-CG 3.25Å; E98-K102 PolarHBondContact O-N 3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.43Å; E98-K102 IonicContact OE1-NZ 2.86Å; E98-K102 PolarHBondContact OE1-NZ 3.28Å; S99-K102 PolarHBondContact O-N 2.6Å; D100-K102 VanDerWaalsContact C-N 3.32Å; D100-K102 PolarHBondContact O-N 2.84Å; K102-F105 PolarHBondContact O-N 2.96Å; K102-R106 WeakPolarHBondContact O-CG 3.07Å; K102-R106 PolarHBondContact O-N 2.81Å; K102-W119 HydrophobicContact CB-CH2 4Å; K102-W119 HydrophobicContact CB-CZ2 4.29Å; K102-W119 HydrophobicContact CB-CZ3 4.45Å; K102-W119 HydrophobicContact CG-CD2 4.3Å; K102-W119 HydrophobicContact CG-CE3 4.08Å; K102-W119 HydrophobicContact CG-CH2 3.67Å; K102-W119 HydrophobicContact CG-CZ2 3.9Å; K102-W119 HydrophobicContact CG-CZ3 3.76Å; K102-F123 HydrophobicContact CG-CE2 4.38Å; K102-F123 HydrophobicContact CG-CZ 4.01Å
103	A	91.6	Very high	89.4	Confident	22 Å²	22	51.5 Å²	51.5	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-47	175.7	0	0	0	0	0	111.5	S99 D100 V101 F105 R106 W107	S99-A103 PolarHBondContact O-N 2.81Å; D100-A103 PolarHBondContact O-N 3.16Å; V101-A103 VanDerWaalsContact C-N 3.35Å; V101-A103 PolarHBondContact O-N 3.31Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.09Å; A103-R106 WeakPolarHBondContact O-CB 3.41Å; A103-R106 PolarHBondContact O-N 3.07Å; A103-R106 VanDerWaalsContact O-N 3.1Å; A103-W107 PolarHBondContact O-N 3.07Å; A103-W107 VanDerWaalsContact O-N 3.15Å
104	L	93.3	Very high	89.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.4	-47.4	176.3	-179	70.5	0	0	0	112.1	L84 F87 L88 F91 D100 V101 W107 F108	L84-L104 HydrophobicContact CD1-CD2 4.41Å; F87-L104 HydrophobicContact CB-CD1 3.79Å; L88-L104 HydrophobicContact CD2-CD2 3.7Å; F91-L104 HydrophobicContact CE2-CB 4.44Å; F91-L104 HydrophobicContact CE2-CD1 4.2Å; F91-L104 HydrophobicContact CZ-CB 4.43Å; D100-L104 PolarHBondContact O-N 2.99Å; V101-L104 PolarHBondContact O-N 3.16Å; L104-W107 HydrophobicContact CD1-CE3 3.8Å; L104-W107 HydrophobicContact CD1-CZ3 3.85Å; L104-W107 WeakPolarHBondContact O-CB 3.35Å; L104-W107 PolarHBondContact O-N 2.98Å; L104-F108 HydrophobicContact CD1-CE1 4.01Å; L104-F108 HydrophobicContact CD1-CE2 4.09Å; L104-F108 HydrophobicContact CD1-CZ 3.48Å; L104-F108 VanDerWaalsContact CD1-CZ 3.48Å; L104-F108 HydrophobicContact CD2-CE2 3.93Å; L104-F108 HydrophobicContact CD2-CZ 4.02Å; L104-F108 HydrophobicContact CG-CD2 4.41Å; L104-F108 HydrophobicContact CG-CE1 4.34Å; L104-F108 HydrophobicContact CG-CE2 3.57Å; L104-F108 HydrophobicContact CG-CZ 3.52Å; L104-F108 WeakPolarHBondContact O-CG 3.48Å; L104-F108 PolarHBondContact O-N 3.05Å
105	F	93.1	Very high	90.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-34.2	178.3	-89.1	-111.7	0	0	0	112.4	V101 K102 A103 W107 F108 L109 W119 I122 L127 L144 I151 W190	V101-F105 HydrophobicContact CG1-CD2 3.87Å; V101-F105 HydrophobicContact CG1-CE2 3.82Å; V101-F105 VanDerWaalsContact O-CD2 3.28Å; V101-F105 WeakPolarHBondContact O-CD2 3.46Å; V101-F105 PolarHBondContact O-N 3.38Å; K102-F105 PolarHBondContact O-N 2.96Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.09Å; F105-W107 PolarHBondContact O-N 3.4Å; F105-F108 HydrophobicContact CD2-CD2 4.48Å; F105-F108 HydrophobicContact CG-CD2 4.42Å; F105-F108 CarbonylContact O-C 3.28Å; F105-F108 PolarHBondContact O-N 3.34Å; F105-F108 VanDerWaalsContact O-N 3.1Å; F105-L109 HydrophobicContact CB-CD1 4.38Å; F105-L109 VanDerWaalsContact O-CB 3.25Å; F105-L109 WeakPolarHBondContact O-CB 3.42Å; F105-L109 VanDerWaalsContact O-CD1 3.32Å; F105-L109 WeakPolarHBondContact O-CD1 3.42Å; F105-L109 VanDerWaalsContact O-CG 3.24Å; F105-L109 WeakPolarHBondContact O-CG 3.37Å; F105-L109 PolarHBondContact O-N 3.14Å; F105-W119 HydrophobicContact CB-CH2 3.55Å; F105-W119 HydrophobicContact CB-CZ3 4.02Å; F105-W119 HydrophobicContact CD1-CZ3 4.4Å; F105-W119 HydrophobicContact CG-CH2 4.17Å; F105-W119 HydrophobicContact CG-CZ3 4.13Å; F105-I122 HydrophobicContact CD1-CD1 3.83Å; F105-I122 HydrophobicContact CE1-CD1 3.56Å; F105-I122 HydrophobicContact CE1-CG1 4.05Å; F105-I122 HydrophobicContact CE1-CG2 3.99Å; F105-I122 HydrophobicContact CE2-CG2 4.34Å; F105-I122 HydrophobicContact CZ-CD1 4.41Å; F105-I122 HydrophobicContact CZ-CG2 3.72Å; F105-L127 HydrophobicContact CE2-CD1 4.12Å; F105-L127 HydrophobicContact CZ-CD1 4.38Å; F105-L144 HydrophobicContact CE2-CD1 4.25Å; F105-L144 HydrophobicContact CZ-CD1 4.31Å; F105-L144 HydrophobicContact CZ-CD2 3.96Å; F105-I151 HydrophobicContact CE1-CD1 4.2Å; F105-I151 HydrophobicContact CZ-CD1 4.31Å; F105-W190 AromaticContact CD1-CH2 3.72Å; F105-W190 HydrophobicContact CD1-CH2 3.72Å; F105-W190 HydrophobicContact CD1-CZ2 4.1Å; F105-W190 AromaticContact CE1-CH2 3.65Å; F105-W190 HydrophobicContact CE1-CH2 3.65Å; F105-W190 HydrophobicContact CE1-CZ2 4.32Å
106	R	91.4	Very high	90.5	Very high	111 Å²	111	44.3 Å²	44.3	42%	0.419	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-35.6	172.6	-78.1	173.9	177.8	175.1	-2.8	111.6	K102 A103 L109 L110 G111 D113	K102-R106 WeakPolarHBondContact O-CG 3.07Å; K102-R106 PolarHBondContact O-N 2.81Å; A103-R106 WeakPolarHBondContact O-CB 3.41Å; A103-R106 PolarHBondContact O-N 3.07Å; A103-R106 VanDerWaalsContact O-N 3.1Å; R106-L109 CarbonylContact O-C 3.57Å; R106-L109 PolarHBondContact O-N 2.9Å; R106-L110 PolarHBondContact O-N 3.31Å; R106-L110 VanDerWaalsContact O-N 3.09Å; R106-G111 PolarHBondContact O-N 3.25Å; R106-D113 IonicContact CZ-OD2 3.36Å; R106-D113 IonicContact NE-OD2 3.69Å; R106-D113 IonicContact NH2-OD2 2.67Å; R106-D113 PolarHBondContact NH2-OD2 3.21Å
107	W	91.9	Very high	90.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-46.5	172.1	-52.4	-26.6	0	0	0	111.6	L43 D45 L46 L49 F91 A103 L104 F105 L109 L110 L155	L43-W107 HydrophobicContact CD2-CB 4.09Å; L43-W107 HydrophobicContact CD2-CG 4.32Å; D45-W107 PolarHBondContact OD1-NE1 3.47Å; D45-W107 PolarHBondContact OD2-NE1 3.27Å; L46-W107 HydrophobicContact CB-CD2 4.02Å; L46-W107 HydrophobicContact CB-CG 4.28Å; L46-W107 HydrophobicContact CB-CZ2 4.2Å; L46-W107 HydrophobicContact CD1-CD2 4.18Å; L46-W107 HydrophobicContact CD1-CE3 3.86Å; L46-W107 HydrophobicContact CD1-CH2 4.15Å; L46-W107 HydrophobicContact CD1-CZ2 4.42Å; L46-W107 HydrophobicContact CD1-CZ3 3.85Å; L46-W107 HydrophobicContact CD2-CB 4.29Å; L46-W107 HydrophobicContact CD2-CD2 4.18Å; L46-W107 HydrophobicContact CD2-CE3 4.34Å; L46-W107 HydrophobicContact CD2-CG 4.15Å; L46-W107 HydrophobicContact CG-CD2 4.36Å; L46-W107 HydrophobicContact CG-CE3 4.49Å; L49-W107 HydrophobicContact CD1-CH2 3.39Å; L49-W107 HydrophobicContact CD1-CZ2 3.65Å; F91-W107 HydrophobicContact CE1-CH2 4.26Å; F91-W107 AromaticContact CE2-CH2 3.62Å; F91-W107 HydrophobicContact CE2-CH2 3.62Å; F91-W107 AromaticContact CE2-CZ3 3.66Å; F91-W107 HydrophobicContact CE2-CZ3 3.66Å; F91-W107 AromaticContact CZ-CH2 3.39Å; F91-W107 HydrophobicContact CZ-CH2 3.39Å; F91-W107 HydrophobicContact CZ-CZ2 4.2Å; F91-W107 AromaticContact CZ-CZ3 3.83Å; F91-W107 HydrophobicContact CZ-CZ3 3.83Å; A103-W107 PolarHBondContact O-N 3.07Å; A103-W107 VanDerWaalsContact O-N 3.15Å; L104-W107 HydrophobicContact CD1-CE3 3.8Å; L104-W107 HydrophobicContact CD1-CZ3 3.85Å; L104-W107 WeakPolarHBondContact O-CB 3.35Å; L104-W107 PolarHBondContact O-N 2.98Å; F105-W107 PolarHBondContact O-N 3.4Å; W107-L109 PolarHBondContact O-N 3.47Å; W107-L110 PolarHBondContact O-N 2.89Å; W107-L155 HydrophobicContact CB-CD2 3.76Å
108	F	91.1	Very high	90.6	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.044	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-26.3	176.9	-55.7	-26.6	0	0	0	113.3	L84 F87 L104 F105 L110 I151 C152 L155	L84-F108 HydrophobicContact CD1-CE2 4.11Å; L84-F108 HydrophobicContact CD1-CZ 3.7Å; F87-F108 AromaticContact CD2-CE1 3.99Å; F87-F108 HydrophobicContact CD2-CE1 3.99Å; F87-F108 HydrophobicContact CE2-CE1 4.48Å; F87-F108 HydrophobicContact CG-CE1 4.33Å; L104-F108 HydrophobicContact CD1-CE1 4.01Å; L104-F108 HydrophobicContact CD1-CE2 4.09Å; L104-F108 HydrophobicContact CD1-CZ 3.48Å; L104-F108 VanDerWaalsContact CD1-CZ 3.48Å; L104-F108 HydrophobicContact CD2-CE2 3.93Å; L104-F108 HydrophobicContact CD2-CZ 4.02Å; L104-F108 HydrophobicContact CG-CD2 4.41Å; L104-F108 HydrophobicContact CG-CE1 4.34Å; L104-F108 HydrophobicContact CG-CE2 3.57Å; L104-F108 HydrophobicContact CG-CZ 3.52Å; L104-F108 WeakPolarHBondContact O-CG 3.48Å; L104-F108 PolarHBondContact O-N 3.05Å; F105-F108 HydrophobicContact CD2-CD2 4.48Å; F105-F108 HydrophobicContact CG-CD2 4.42Å; F105-F108 CarbonylContact O-C 3.28Å; F105-F108 PolarHBondContact O-N 3.34Å; F105-F108 VanDerWaalsContact O-N 3.1Å; F108-L110 VanDerWaalsContact C-N 3.35Å; F108-I151 HydrophobicContact CB-CG1 4.36Å; F108-I151 HydrophobicContact CD2-CD1 3.76Å; F108-I151 HydrophobicContact CD2-CG1 3.71Å; F108-I151 HydrophobicContact CE2-CD1 4.12Å; F108-I151 HydrophobicContact CE2-CG1 4.21Å; F108-I151 HydrophobicContact CG-CG1 4.15Å; F108-C152 HydrophobicContact CE1-CB 4.49Å; F108-C152 WeakPolarHBondContact CE1-SG 3.08Å; F108-C152 WeakPolarHBondContact CZ-SG 3.38Å; F108-L155 HydrophobicContact CD1-CD2 3.72Å; F108-L155 HydrophobicContact CE1-CD2 3.96Å
109	L	88.7	Confident	90.8	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	5.7	177.4	-72.9	160.8	0	0	0	113.2	F105 R106 W107 G111 R112 L114 W190	F105-L109 HydrophobicContact CB-CD1 4.38Å; F105-L109 VanDerWaalsContact O-CB 3.25Å; F105-L109 WeakPolarHBondContact O-CB 3.42Å; F105-L109 VanDerWaalsContact O-CD1 3.32Å; F105-L109 WeakPolarHBondContact O-CD1 3.42Å; F105-L109 VanDerWaalsContact O-CG 3.24Å; F105-L109 WeakPolarHBondContact O-CG 3.37Å; F105-L109 PolarHBondContact O-N 3.14Å; R106-L109 CarbonylContact O-C 3.57Å; R106-L109 PolarHBondContact O-N 2.9Å; W107-L109 PolarHBondContact O-N 3.47Å; L109-G111 VanDerWaalsContact C-N 3.28Å; L109-G111 PolarHBondContact O-N 3Å; L109-R112 HydrophobicContact CB-CB 4.16Å; L109-R112 WeakPolarHBondContact CB-O 3.16Å; L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 WeakPolarHBondContact O-CG 3.37Å; L109-R112 PolarHBondContact O-N 3.44Å; L109-R112 VanDerWaalsContact O-N 3.13Å; L109-L114 HydrophobicContact CD1-CD1 3.77Å; L109-L114 HydrophobicContact CD1-CD2 3.83Å; L109-L114 HydrophobicContact CD1-CG 3.46Å; L109-L114 VanDerWaalsContact CD1-CG 3.46Å; L109-L114 HydrophobicContact CD2-CD2 3.8Å; L109-L114 HydrophobicContact CD2-CG 4.38Å; L109-L114 HydrophobicContact CG-CD2 4.5Å; L109-W190 HydrophobicContact CD2-CB 4.17Å; L109-W190 VanDerWaalsContact CD2-CD1 3.44Å; L109-W190 HydrophobicContact CD2-CD2 3.46Å; L109-W190 VanDerWaalsContact CD2-CD2 3.46Å; L109-W190 HydrophobicContact CD2-CE3 4.16Å; L109-W190 HydrophobicContact CD2-CG 3.41Å; L109-W190 VanDerWaalsContact CD2-CG 3.41Å; L109-W190 HydrophobicContact CD2-CZ2 4.34Å; L109-W190 HydrophobicContact CG-CD2 4.36Å; L109-W190 HydrophobicContact CG-CZ2 4.39Å
110	L	85.4	Confident	90.8	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	46.6	178.9	-53.6	175	0	0	0	111.8	R106 W107 F108 R112 L155 I158 L171 F174	R106-L110 PolarHBondContact O-N 3.31Å; R106-L110 VanDerWaalsContact O-N 3.09Å; W107-L110 PolarHBondContact O-N 2.89Å; F108-L110 VanDerWaalsContact C-N 3.35Å; L110-R112 PolarHBondContact O-N 3.43Å; L110-L155 HydrophobicContact CD2-CD1 4.37Å; L110-I158 HydrophobicContact CD1-CD1 3.6Å; L110-I158 HydrophobicContact CD2-CD1 3.58Å; L110-I158 HydrophobicContact CG-CD1 4.25Å; L110-L171 HydrophobicContact CB-CD2 4.13Å; L110-L171 HydrophobicContact CD1-CD2 3.85Å; L110-L171 HydrophobicContact CD2-CD2 4.09Å; L110-L171 HydrophobicContact CG-CD2 4.23Å; L110-F174 HydrophobicContact CD1-CD1 3.95Å; L110-F174 HydrophobicContact CD1-CE1 4.01Å
111	G	84.1	Confident	90.8	Very high	35 Å²	35	44.8 Å²	44.8	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-9.2	178.9	0	0	0	0	0	115.7	R106 L109	R106-G111 PolarHBondContact O-N 3.25Å; L109-G111 VanDerWaalsContact C-N 3.28Å; L109-G111 PolarHBondContact O-N 3Å
112	R	85.6	Confident	90.8	Very high	82 Å²	82	44.8 Å²	44.8	31%	0.309	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-73.8	146.8	177.6	-61.2	-178	-177.9	-144.6	-4.3	111.5	L109 L110 F174 N175	L109-R112 HydrophobicContact CB-CB 4.16Å; L109-R112 WeakPolarHBondContact CB-O 3.16Å; L109-R112 WeakPolarHBondContact O-CB 3.47Å; L109-R112 WeakPolarHBondContact O-CG 3.37Å; L109-R112 PolarHBondContact O-N 3.44Å; L109-R112 VanDerWaalsContact O-N 3.13Å; L110-R112 PolarHBondContact O-N 3.43Å; R112-F174 PolarHBondContact NH2-O 2.95Å; R112-N175 VanDerWaalsContact CZ-OD1 3.22Å; R112-N175 PolarHBondContact NH1-OD1 2.89Å; R112-N175 VanDerWaalsContact NH2-CA 3.27Å; R112-N175 VanDerWaalsContact NH2-CB 3.31Å; R112-N175 PolarHBondContact NH2-OD1 2.92Å
113	D	89.3	Confident	90.7	Very high	82 Å²	82	43 Å²	43	44%	0.439	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-100	147.6	170	-148.2	-21.5	0	0	0	110.3	R106 W119	R106-D113 IonicContact CZ-OD2 3.36Å; R106-D113 IonicContact NE-OD2 3.69Å; R106-D113 IonicContact NH2-OD2 2.67Å; R106-D113 PolarHBondContact NH2-OD2 3.21Å; D113-W119 WeakPolarHBondContact OD1-CZ2 3.17Å; D113-W119 PolarHBondContact OD1-NE1 3.01Å
114	L	91.4	Very high	90.5	Very high	13 Å²	13	46 Å²	46	7%	0.068	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-89.1	154.4	177.5	-65	172.4	0	0	0	110.7	L109 M118 W119 I122 D187 W190	L109-L114 HydrophobicContact CD1-CD1 3.77Å; L109-L114 HydrophobicContact CD1-CD2 3.83Å; L109-L114 HydrophobicContact CD1-CG 3.46Å; L109-L114 VanDerWaalsContact CD1-CG 3.46Å; L109-L114 HydrophobicContact CD2-CD2 3.8Å; L109-L114 HydrophobicContact CD2-CG 4.38Å; L109-L114 HydrophobicContact CG-CD2 4.5Å; L114-M118 HydrophobicContact CB-CB 4.15Å; L114-M118 HydrophobicContact CB-CG 4.25Å; L114-M118 HydrophobicContact CD1-CG 3.85Å; L114-M118 HydrophobicContact CD2-CG 4.14Å; L114-M118 HydrophobicContact CG-CG 4.31Å; L114-W119 HydrophobicContact CB-CD2 4.37Å; L114-W119 HydrophobicContact CB-CG 4.44Å; L114-W119 HydrophobicContact CB-CZ2 4.34Å; L114-W119 HydrophobicContact CD1-CH2 4.4Å; L114-W119 HydrophobicContact CD1-CZ2 4.34Å; L114-W119 HydrophobicContact CG-CZ2 4.49Å; L114-W119 PolarHBondContact O-NE1 3.42Å; L114-I122 HydrophobicContact CD1-CD1 3.3Å; L114-D187 HydrophobicContact CD2-CB 4.04Å; L114-W190 HydrophobicContact CD1-CZ3 4.26Å; L114-W190 HydrophobicContact CD2-CE3 4.28Å
115	K	92.6	Very high	90.1	Very high	115 Å²	115	47.1 Å²	47.1	50%	0.5	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-65.2	152.6	171.8	-67.7	176.2	-176.1	179.3	0	111.2	D117 M118 W119 D187	K115-D117 VanDerWaalsContact C-N 3.25Å; K115-D117 PolarHBondContact O-N 2.93Å; K115-D117 VanDerWaalsContact O-N 3.15Å; K115-M118 WeakPolarHBondContact O-CB 3.23Å; K115-M118 PolarHBondContact O-N 3.28Å; K115-W119 PolarHBondContact O-N 3.03Å; K115-W119 VanDerWaalsContact O-N 3.13Å; K115-D187 WeakPolarHBondContact CB-OD2 3.46Å; K115-D187 VanDerWaalsContact CG-OD2 3.32Å; K115-D187 WeakPolarHBondContact CG-OD2 3.27Å; K115-D187 PolarHBondContact N-OD2 3.32Å
116	P	93.1	Very high	89.7	Confident	104 Å²	104	47.2 Å²	47.2	68%	0.675	24%	0.244	S	C	*	.	H	α-helix	trans	-51.5	-39.8	-179.5	-29.4	35.7	0	0	0	114.5	M118 W119 Q120	P116-M118 VanDerWaalsContact C-N 3.29Å; P116-M118 PolarHBondContact O-N 2.9Å; P116-W119 WeakPolarHBondContact O-CB 3.48Å; P116-W119 PolarHBondContact O-N 3.06Å; P116-Q120 PolarHBondContact O-N 3.41Å
117	D	90.5	Very high	89.6	Confident	104 Å²	104	42 Å²	42	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-64.2	-34.3	179.3	-62.2	-12.9	0	0	0	112.5	K115 L121	K115-D117 VanDerWaalsContact C-N 3.25Å; K115-D117 PolarHBondContact O-N 2.93Å; K115-D117 VanDerWaalsContact O-N 3.15Å; D117-L121 PolarHBondContact O-N 3.42Å
118	M	92.4	Very high	89	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.069	25%	0.248	C	C	.	.	H	α-helix	trans	-74.8	-38.6	177	-173.6	62.8	75.1	0	0	110.9	L114 K115 P116 Q120 L121 I122 D187 L188 L191	L114-M118 HydrophobicContact CB-CB 4.15Å; L114-M118 HydrophobicContact CB-CG 4.25Å; L114-M118 HydrophobicContact CD1-CG 3.85Å; L114-M118 HydrophobicContact CD2-CG 4.14Å; L114-M118 HydrophobicContact CG-CG 4.31Å; K115-M118 WeakPolarHBondContact O-CB 3.23Å; K115-M118 PolarHBondContact O-N 3.28Å; P116-M118 VanDerWaalsContact C-N 3.29Å; P116-M118 PolarHBondContact O-N 2.9Å; M118-Q120 VanDerWaalsContact C-N 3.31Å; M118-Q120 PolarHBondContact O-N 2.92Å; M118-L121 WeakPolarHBondContact O-CB 3.25Å; M118-L121 PolarHBondContact O-N 3.49Å; M118-L121 VanDerWaalsContact O-N 3.17Å; M118-L121 HydrophobicContact SD-CB 4.42Å; M118-L121 HydrophobicContact SD-CD2 3.83Å; M118-I122 HydrophobicContact CG-CD1 4.28Å; M118-I122 WeakPolarHBondContact O-CG1 3.48Å; M118-I122 PolarHBondContact O-N 3.5Å; M118-D187 HydrophobicContact CE-CB 3.78Å; M118-D187 HydrophobicContact CG-CB 4.38Å; M118-L188 HydrophobicContact CE-CD2 3.83Å; M118-L188 HydrophobicContact CE-CG 4.22Å; M118-L191 HydrophobicContact CE-CD2 4.35Å; M118-L191 HydrophobicContact SD-CD2 4.31Å
119	W	93.6	Very high	88.6	Confident	18 Å²	18	47.3 Å²	47.3	7%	0.068	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-44.1	170.2	-79	121.3	0	0	0	111.7	K102 F105 D113 L114 K115 P116 L121 I122 F123	K102-W119 HydrophobicContact CB-CH2 4Å; K102-W119 HydrophobicContact CB-CZ2 4.29Å; K102-W119 HydrophobicContact CB-CZ3 4.45Å; K102-W119 HydrophobicContact CG-CD2 4.3Å; K102-W119 HydrophobicContact CG-CE3 4.08Å; K102-W119 HydrophobicContact CG-CH2 3.67Å; K102-W119 HydrophobicContact CG-CZ2 3.9Å; K102-W119 HydrophobicContact CG-CZ3 3.76Å; F105-W119 HydrophobicContact CB-CH2 3.55Å; F105-W119 HydrophobicContact CB-CZ3 4.02Å; F105-W119 HydrophobicContact CD1-CZ3 4.4Å; F105-W119 HydrophobicContact CG-CH2 4.17Å; F105-W119 HydrophobicContact CG-CZ3 4.13Å; D113-W119 WeakPolarHBondContact OD1-CZ2 3.17Å; D113-W119 PolarHBondContact OD1-NE1 3.01Å; L114-W119 HydrophobicContact CB-CD2 4.37Å; L114-W119 HydrophobicContact CB-CG 4.44Å; L114-W119 HydrophobicContact CB-CZ2 4.34Å; L114-W119 HydrophobicContact CD1-CH2 4.4Å; L114-W119 HydrophobicContact CD1-CZ2 4.34Å; L114-W119 HydrophobicContact CG-CZ2 4.49Å; L114-W119 PolarHBondContact O-NE1 3.42Å; K115-W119 PolarHBondContact O-N 3.03Å; K115-W119 VanDerWaalsContact O-N 3.13Å; P116-W119 WeakPolarHBondContact O-CB 3.48Å; P116-W119 PolarHBondContact O-N 3.06Å; W119-L121 VanDerWaalsContact C-N 3.29Å; W119-L121 PolarHBondContact O-N 3.01Å; W119-I122 HydrophobicContact CE3-CD1 4.01Å; W119-I122 HydrophobicContact CZ3-CD1 4.15Å; W119-I122 PolarHBondContact O-N 2.86Å; W119-F123 HydrophobicContact CB-CD2 4.4Å; W119-F123 HydrophobicContact CB-CE2 4.27Å; W119-F123 HydrophobicContact CD2-CE2 4.18Å; W119-F123 HydrophobicContact CE3-CD2 4.35Å; W119-F123 AromaticContact CE3-CE2 3.49Å; W119-F123 HydrophobicContact CE3-CE2 3.49Å; W119-F123 VanDerWaalsContact CE3-CE2 3.49Å; W119-F123 AromaticContact CE3-CZ 3.79Å; W119-F123 HydrophobicContact CE3-CZ 3.79Å; W119-F123 HydrophobicContact CZ3-CE2 4.23Å; W119-F123 HydrophobicContact CZ3-CZ 4.05Å; W119-F123 WeakPolarHBondContact O-CD2 3.34Å; W119-F123 PolarHBondContact O-N 2.99Å
120	Q	91.4	Very high	88.2	Confident	125 Å²	125	49.5 Å²	49.5	58%	0.584	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-42.5	175.2	-171.9	178.4	8	0	0	111.1	P116 M118 F123 T124	P116-Q120 PolarHBondContact O-N 3.41Å; M118-Q120 VanDerWaalsContact C-N 3.31Å; M118-Q120 PolarHBondContact O-N 2.92Å; Q120-F123 PolarHBondContact O-N 3.16Å; Q120-T124 HydrophobicContact CG-CG2 4.08Å; Q120-T124 VanDerWaalsContact O-CB 3.27Å; Q120-T124 WeakPolarHBondContact O-CB 3.35Å; Q120-T124 VanDerWaalsContact O-CG2 3.22Å; Q120-T124 WeakPolarHBondContact O-CG2 3.24Å; Q120-T124 PolarHBondContact O-N 2.87Å; Q120-T124 PolarHBondContact O-OG1 3.3Å
121	L	91.3	Very high	87.8	Confident	7 Å²	7	58 Å²	58	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-45.7	175.6	-173.7	66.8	0	0	0	111.9	D117 M118 W119 S125 I126 L191 I285 F289	D117-L121 PolarHBondContact O-N 3.42Å; M118-L121 WeakPolarHBondContact O-CB 3.25Å; M118-L121 PolarHBondContact O-N 3.49Å; M118-L121 VanDerWaalsContact O-N 3.17Å; M118-L121 HydrophobicContact SD-CB 4.42Å; M118-L121 HydrophobicContact SD-CD2 3.83Å; W119-L121 VanDerWaalsContact C-N 3.29Å; W119-L121 PolarHBondContact O-N 3.01Å; L121-S125 WeakPolarHBondContact O-CA 3.47Å; L121-S125 VanDerWaalsContact O-CB 3.23Å; L121-S125 WeakPolarHBondContact O-CB 3.39Å; L121-S125 PolarHBondContact O-N 3.01Å; L121-I126 PolarHBondContact O-N 3.12Å; L121-L191 HydrophobicContact CD2-CD2 4.45Å; L121-I285 WeakPolarHBondContact CD1-O 3.15Å; L121-I285 HydrophobicContact CD2-CG2 4.19Å; L121-I285 WeakPolarHBondContact CD2-O 3.35Å; L121-F289 HydrophobicContact CD1-CB 3.98Å; L121-F289 HydrophobicContact CD2-CB 4.15Å; L121-F289 HydrophobicContact CG-CB 4.12Å
122	I	91.9	Very high	87.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	I	π-helix	trans	-59.1	-52.9	178.5	-70.8	161.9	0	0	0	110.3	F105 L114 M118 W119 T124 I126 L127	F105-I122 HydrophobicContact CD1-CD1 3.83Å; F105-I122 HydrophobicContact CE1-CD1 3.56Å; F105-I122 HydrophobicContact CE1-CG1 4.05Å; F105-I122 HydrophobicContact CE1-CG2 3.99Å; F105-I122 HydrophobicContact CE2-CG2 4.34Å; F105-I122 HydrophobicContact CZ-CD1 4.41Å; F105-I122 HydrophobicContact CZ-CG2 3.72Å; L114-I122 HydrophobicContact CD1-CD1 3.3Å; M118-I122 HydrophobicContact CG-CD1 4.28Å; M118-I122 WeakPolarHBondContact O-CG1 3.48Å; M118-I122 PolarHBondContact O-N 3.5Å; W119-I122 HydrophobicContact CE3-CD1 4.01Å; W119-I122 HydrophobicContact CZ3-CD1 4.15Å; W119-I122 PolarHBondContact O-N 2.86Å; I122-T124 PolarHBondContact O-N 3.42Å; I122-I126 HydrophobicContact CG1-CD1 4.07Å; I122-I126 WeakPolarHBondContact O-CB 3.42Å; I122-I126 PolarHBondContact O-N 3.11Å; I122-I126 VanDerWaalsContact O-N 3.16Å; I122-L127 HydrophobicContact CG2-CD1 3.93Å; I122-L127 HydrophobicContact CG2-CG 4.21Å; I122-L127 PolarHBondContact O-N 3.1Å
123	F	91.3	Very high	87.4	Confident	26 Å²	26	60.4 Å²	60.4	11%	0.114	33%	0.333	C	S	.	.	I	π-helix	trans	-77.2	-19	-174.1	-65.6	-56.1	0	0	0	115.4	E98 V101 K102 W119 Q120 L127 Y135	E98-F123 HydrophobicContact CG-CD1 4.39Å; E98-F123 HydrophobicContact CG-CD2 4.32Å; E98-F123 HydrophobicContact CG-CE1 3.75Å; E98-F123 HydrophobicContact CG-CE2 3.7Å; E98-F123 HydrophobicContact CG-CZ 3.38Å; V101-F123 HydrophobicContact CB-CE1 4.04Å; V101-F123 HydrophobicContact CB-CZ 4.47Å; V101-F123 HydrophobicContact CG1-CE1 3.68Å; V101-F123 HydrophobicContact CG1-CZ 4.21Å; K102-F123 HydrophobicContact CG-CE2 4.38Å; K102-F123 HydrophobicContact CG-CZ 4.01Å; W119-F123 HydrophobicContact CB-CD2 4.4Å; W119-F123 HydrophobicContact CB-CE2 4.27Å; W119-F123 HydrophobicContact CD2-CE2 4.18Å; W119-F123 HydrophobicContact CE3-CD2 4.35Å; W119-F123 AromaticContact CE3-CE2 3.49Å; W119-F123 HydrophobicContact CE3-CE2 3.49Å; W119-F123 VanDerWaalsContact CE3-CE2 3.49Å; W119-F123 AromaticContact CE3-CZ 3.79Å; W119-F123 HydrophobicContact CE3-CZ 3.79Å; W119-F123 HydrophobicContact CZ3-CE2 4.23Å; W119-F123 HydrophobicContact CZ3-CZ 4.05Å; W119-F123 WeakPolarHBondContact O-CD2 3.34Å; W119-F123 PolarHBondContact O-N 2.99Å; Q120-F123 PolarHBondContact O-N 3.16Å; F123-L127 CarbonylContact C-O 3.43Å; F123-Y135 HydrophobicContact CD1-CE1 4.11Å; F123-Y135 HydrophobicContact CD1-CE2 4.32Å; F123-Y135 AromaticContact CD1-CZ 3.6Å; F123-Y135 WeakPolarHBondContact CD1-OH 3.21Å; F123-Y135 HydrophobicContact CE1-CE2 4.32Å
124	T	86.8	Confident	87.3	Confident	85 Å²	85	59.4 Å²	59.4	52%	0.521	33%	0.327	S	S	.	.	I	π-helix	trans	-100.8	-25	-179.8	61.7	0	0	0	0	113.6	Q120 I122	Q120-T124 HydrophobicContact CG-CG2 4.08Å; Q120-T124 VanDerWaalsContact O-CB 3.27Å; Q120-T124 WeakPolarHBondContact O-CB 3.35Å; Q120-T124 VanDerWaalsContact O-CG2 3.22Å; Q120-T124 WeakPolarHBondContact O-CG2 3.24Å; Q120-T124 PolarHBondContact O-N 2.87Å; Q120-T124 PolarHBondContact O-OG1 3.3Å; I122-T124 PolarHBondContact O-N 3.42Å
125	S	84.6	Confident	87.2	Confident	23 Å²	23	59.3 Å²	59.3	16%	0.161	33%	0.326	C	S	.	.	I	π-helix	trans	-126.3	-35.6	-167.8	-55.8	0	0	0	0	114.3	L121 P287 K288	L121-S125 WeakPolarHBondContact O-CA 3.47Å; L121-S125 VanDerWaalsContact O-CB 3.23Å; L121-S125 WeakPolarHBondContact O-CB 3.39Å; L121-S125 PolarHBondContact O-N 3.01Å; S125-P287 PolarHBondContact OG-O 3.48Å; S125-K288 VanDerWaalsContact OG-CA 3.28Å; S125-K288 WeakPolarHBondContact OG-CA 3.41Å
126	I	85.5	Confident	87.1	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	33%	0.325	C	S	.	.	I	π-helix	trans	-90.4	-57.3	-179.5	-61.5	178.9	0	0	0	109	L121 I122 C143 L144 L147 L191 F289	L121-I126 PolarHBondContact O-N 3.12Å; I122-I126 HydrophobicContact CG1-CD1 4.07Å; I122-I126 WeakPolarHBondContact O-CB 3.42Å; I122-I126 PolarHBondContact O-N 3.11Å; I122-I126 VanDerWaalsContact O-N 3.16Å; I126-C143 VanDerWaalsContact O-CB 3.23Å; I126-C143 WeakPolarHBondContact O-CB 3.46Å; I126-C143 PolarHBondContact O-SG 2.76Å; I126-C143 VanDerWaalsContact O-SG 3.36Å; I126-L144 HydrophobicContact CG2-CD2 3.57Å; I126-L147 HydrophobicContact CB-CD1 4.23Å; I126-L147 HydrophobicContact CG1-CD1 4.23Å; I126-L147 HydrophobicContact CG2-CD1 3.99Å; I126-L191 HydrophobicContact CD1-CD1 4.27Å; I126-F289 HydrophobicContact CD1-CD1 4.03Å; I126-F289 HydrophobicContact CD1-CG 4.47Å; I126-F289 HydrophobicContact CG1-CB 4.14Å; I126-F289 HydrophobicContact CG1-CD1 3.93Å; I126-F289 HydrophobicContact CG1-CG 4.41Å
127	L	89	Confident	86.9	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.3	C	S	.	.			trans	-96	145.1	171.5	-57.3	178.8	0	0	0	108.3	V101 F105 I122 F123 Y135 I140 C143 L144	V101-L127 HydrophobicContact CG1-CD1 3.57Å; F105-L127 HydrophobicContact CE2-CD1 4.12Å; F105-L127 HydrophobicContact CZ-CD1 4.38Å; I122-L127 HydrophobicContact CG2-CD1 3.93Å; I122-L127 HydrophobicContact CG2-CG 4.21Å; I122-L127 PolarHBondContact O-N 3.1Å; F123-L127 CarbonylContact C-O 3.43Å; L127-Y135 HydrophobicContact CB-CD1 4.13Å; L127-Y135 HydrophobicContact CB-CE1 3.9Å; L127-I140 HydrophobicContact CD2-CB 4.41Å; L127-I140 HydrophobicContact CD2-CG1 4.28Å; L127-I140 HydrophobicContact CD2-CG2 4.25Å; L127-C143 HydrophobicContact CD2-CB 4.14Å; L127-L144 HydrophobicContact CD2-CD2 4.19Å; L127-L144 HydrophobicContact CD2-CG 4.09Å
128	S	80.3	Confident	86.8	Confident	73 Å²	73	57.1 Å²	57.1	51%	0.51	31%	0.307	S	S	.	.			trans	-126.3	116.3	168.7	57	0	0	0	0	106.9
129	S	81.7	Confident	86.7	Confident	50 Å²	50	58.9 Å²	58.9	35%	0.35	32%	0.319	S	S	.	.			trans	-65	160.6	172.4	68.7	0	0	0	0	110.2
130	D	80	Confident	86.6	Confident	53 Å²	53	58 Å²	58	28%	0.283	32%	0.316	S	S	.	.			trans	-70	179.9	160.6	67.8	17.9	0	0	0	111.4	N132 G133 I134	D130-N132 PolarHBondContact O-N 3.23Å; D130-N132 VanDerWaalsContact O-N 3.07Å; D130-N132 WeakPolarHBondContact OD1-CA 3.29Å; D130-N132 WeakPolarHBondContact OD1-CB 3.48Å; D130-N132 PolarHBondContact OD1-N 3.43Å; D130-G133 PolarHBondContact O-N 3.2Å; D130-G133 PolarHBondContact OD1-N 3.49Å; D130-I134 PolarHBondContact N-O 3.1Å; D130-I134 WeakPolarHBondContact OD1-CB 3.47Å; D130-I134 PolarHBondContact OD1-N 3.41Å
131	E	77.3	Confident	86.6	Confident	202 Å²	202	53.2 Å²	53.2	94%	0.944	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.8	179.7	-62.1	179.1	176.8	0	0	113.5
132	N	79.4	Confident	86.6	Confident	133 Å²	133	56.5 Å²	56.5	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	4	-179.2	-61.4	-46.4	0	0	0	113.2	D130 I134	D130-N132 PolarHBondContact O-N 3.23Å; D130-N132 VanDerWaalsContact O-N 3.07Å; D130-N132 WeakPolarHBondContact OD1-CA 3.29Å; D130-N132 WeakPolarHBondContact OD1-CB 3.48Å; D130-N132 PolarHBondContact OD1-N 3.43Å; N132-I134 VanDerWaalsContact C-N 3.33Å; N132-I134 HydrophobicContact CB-CD1 4.06Å; N132-I134 HydrophobicContact CB-CG1 4.22Å
133	G	81.5	Confident	86.5	Confident	36 Å²	36	57.2 Å²	57.2	37%	0.371	32%	0.323	S	S	.	.	S	Bend	trans	76.2	20.7	-176.8	0	0	0	0	0	113.7	D130	D130-G133 PolarHBondContact O-N 3.2Å; D130-G133 PolarHBondContact OD1-N 3.49Å
134	I	87	Confident	86.5	Confident	60 Å²	60	56 Å²	56	31%	0.308	32%	0.318	S	S	.	.			trans	-105	144.3	-177.4	-61.1	173.4	0	0	0	110.1	V95 D130 N132	V95-I134 HydrophobicContact CB-CG2 3.47Å; V95-I134 VanDerWaalsContact CB-CG2 3.47Å; V95-I134 HydrophobicContact CG1-CG2 3.67Å; V95-I134 HydrophobicContact CG2-CG2 4.42Å; D130-I134 PolarHBondContact N-O 3.1Å; D130-I134 WeakPolarHBondContact OD1-CB 3.47Å; D130-I134 PolarHBondContact OD1-N 3.41Å; N132-I134 VanDerWaalsContact C-N 3.33Å; N132-I134 HydrophobicContact CB-CD1 4.06Å; N132-I134 HydrophobicContact CB-CG1 4.22Å
135	Y	89.6	Confident	86.7	Confident	11 Å²	11	54.6 Å²	54.6	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.6	179	-56.4	-89.5	0	0	0	110.7	V95 L96 E98 V101 F123 L127	V95-Y135 WeakPolarHBondContact CA-O 3.42Å; L96-Y135 PolarHBondContact N-O 2.71Å; L96-Y135 PolarHBondContact O-N 3.36Å; E98-Y135 HydrophobicContact CB-CE2 4.45Å; V101-Y135 HydrophobicContact CG2-CD2 3.83Å; V101-Y135 HydrophobicContact CG2-CE2 4.43Å; V101-Y135 HydrophobicContact CG2-CG 4.03Å; F123-Y135 HydrophobicContact CD1-CE1 4.11Å; F123-Y135 HydrophobicContact CD1-CE2 4.32Å; F123-Y135 AromaticContact CD1-CZ 3.6Å; F123-Y135 WeakPolarHBondContact CD1-OH 3.21Å; F123-Y135 HydrophobicContact CE1-CE2 4.32Å; L127-Y135 HydrophobicContact CB-CD1 4.13Å; L127-Y135 HydrophobicContact CB-CE1 3.9Å
136	K	90.1	Very high	86.9	Confident	113 Å²	113	61.6 Å²	61.6	49%	0.491	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.6	174.8	-63.9	178.8	-177.4	175.9	0	110.3	V95 D138 T139 I140	V95-K136 HydrophobicContact CG1-CG 4.31Å; K136-D138 PolarHBondContact O-N 3.43Å; K136-T139 WeakPolarHBondContact O-CB 3.3Å; K136-T139 PolarHBondContact O-N 3.01Å; K136-T139 VanDerWaalsContact O-N 3.09Å; K136-I140 PolarHBondContact O-N 3.2Å; K136-I140 VanDerWaalsContact O-N 3.1Å
137	H	90.6	Very high	87	Confident	33 Å²	33	62.4 Å²	62.4	15%	0.153	33%	0.334	C	S	.	.	H	α-helix	trans	-52.5	-51.1	-179.7	-75	-159.5	0	0	0	112.3	L88 L93 R94 T139 I140 V141	L88-H137 HydrophobicContact CD1-CB 4.46Å; L88-H137 PolarHBondContact O-CE1 3.44Å; L93-H137 PolarHBondContact O-CE1 2.9Å; L93-H137 PolarHBondContact O-NE2 3.39Å; R94-H137 PolarHBondContact O-CD2 3.17Å; R94-H137 PolarHBondContact O-N 3.43Å; H137-T139 PolarHBondContact O-N 3.23Å; H137-I140 WeakPolarHBondContact O-CB 3.33Å; H137-I140 PolarHBondContact O-N 3.35Å; H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 2.92Å
138	D	88.3	Confident	87	Confident	131 Å²	131	62.4 Å²	62.4	70%	0.701	33%	0.334	S	S	*	.	H	α-helix	trans	-56.6	-36.8	-179.3	-56.3	-13.3	0	0	0	112.7	K136 S142	K136-D138 PolarHBondContact O-N 3.43Å; D138-S142 WeakPolarHBondContact O-CB 3.35Å; D138-S142 PolarHBondContact O-N 3.1Å
139	T	89.3	Confident	87.4	Confident	51 Å²	51	62 Å²	62	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-44.1	177.1	-54.5	0	0	0	0	110.9	K136 H137 C143	K136-T139 WeakPolarHBondContact O-CB 3.3Å; K136-T139 PolarHBondContact O-N 3.01Å; K136-T139 VanDerWaalsContact O-N 3.09Å; H137-T139 PolarHBondContact O-N 3.23Å; T139-C143 VanDerWaalsContact O-CB 3.25Å; T139-C143 WeakPolarHBondContact O-CB 3.26Å; T139-C143 PolarHBondContact O-N 2.84Å; T139-C143 PolarHBondContact O-SG 3.49Å; T139-C143 VanDerWaalsContact O-SG 3.37Å
140	I	91.7	Very high	87.7	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-50.2	177.8	-62.8	171.4	0	0	0	109.9	L88 L96 V101 L127 K136 H137 C143 L144	L88-I140 HydrophobicContact CD1-CB 4.28Å; L88-I140 HydrophobicContact CD1-CG2 4.11Å; L88-I140 HydrophobicContact CD2-CD1 4.09Å; L88-I140 HydrophobicContact CD2-CG2 4.23Å; L96-I140 HydrophobicContact CB-CD1 4.48Å; L96-I140 HydrophobicContact CD1-CD1 3.82Å; L96-I140 HydrophobicContact CG-CD1 4.43Å; V101-I140 HydrophobicContact CG2-CD1 4.32Å; L127-I140 HydrophobicContact CD2-CB 4.41Å; L127-I140 HydrophobicContact CD2-CG1 4.28Å; L127-I140 HydrophobicContact CD2-CG2 4.25Å; K136-I140 PolarHBondContact O-N 3.2Å; K136-I140 VanDerWaalsContact O-N 3.1Å; H137-I140 WeakPolarHBondContact O-CB 3.33Å; H137-I140 PolarHBondContact O-N 3.35Å; I140-C143 PolarHBondContact O-N 3.35Å; I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.15Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.24Å
141	V	91.6	Very high	88.2	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-57.3	-52.8	178.7	175.4	0	0	0	0	110.7	D82 L84 L88 H137 C143 N145	D82-V141 WeakPolarHBondContact OD2-CG1 3.16Å; L84-V141 HydrophobicContact CD2-CG2 4.36Å; L84-V141 HydrophobicContact CG-CG2 4.38Å; L88-V141 HydrophobicContact CD1-CG2 3.38Å; H137-V141 WeakPolarHBondContact O-CG2 3.32Å; H137-V141 PolarHBondContact O-N 2.92Å; V141-C143 VanDerWaalsContact C-N 3.32Å; V141-C143 PolarHBondContact O-N 3.15Å; V141-N145 WeakPolarHBondContact CG1-ND2 3.48Å; V141-N145 VanDerWaalsContact O-CB 3.24Å; V141-N145 WeakPolarHBondContact O-CB 3.47Å; V141-N145 PolarHBondContact O-N 2.94Å
142	S	90.6	Very high	88.9	Confident	77 Å²	77	49.7 Å²	49.7	54%	0.538	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-41	-179.9	-178	0	0	0	0	112.6	D138 R146	D138-S142 WeakPolarHBondContact O-CB 3.35Å; D138-S142 PolarHBondContact O-N 3.1Å; S142-R146 WeakPolarHBondContact O-CB 3.45Å; S142-R146 PolarHBondContact O-N 3.31Å
143	C	90.7	Very high	89.3	Confident	15 Å²	15	44.9 Å²	44.9	10%	0.101	24%	0.241	C	C	.	.	H	α-helix	trans	-72.5	-50.2	-179.9	-78.2	0	0	0	0	112.9	I126 L127 T139 I140 V141 R146 L147	I126-C143 VanDerWaalsContact O-CB 3.23Å; I126-C143 WeakPolarHBondContact O-CB 3.46Å; I126-C143 PolarHBondContact O-SG 2.76Å; I126-C143 VanDerWaalsContact O-SG 3.36Å; L127-C143 HydrophobicContact CD2-CB 4.14Å; T139-C143 VanDerWaalsContact O-CB 3.25Å; T139-C143 WeakPolarHBondContact O-CB 3.26Å; T139-C143 PolarHBondContact O-N 2.84Å; T139-C143 PolarHBondContact O-SG 3.49Å; T139-C143 VanDerWaalsContact O-SG 3.37Å; I140-C143 PolarHBondContact O-N 3.35Å; V141-C143 VanDerWaalsContact C-N 3.32Å; V141-C143 PolarHBondContact O-N 3.15Å; C143-R146 PolarHBondContact O-N 2.94Å; C143-L147 WeakPolarHBondContact O-CB 3.31Å; C143-L147 PolarHBondContact O-N 3.04Å; C143-L147 VanDerWaalsContact O-N 3.09Å
144	L	91.8	Very high	89.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-44	-176.1	-66.9	-178.7	0	0	0	111.4	L84 F105 I126 L127 I140 R146 L147 C148 I151	L84-L144 HydrophobicContact CD1-CD1 4.18Å; L84-L144 HydrophobicContact CD2-CB 3.61Å; L84-L144 HydrophobicContact CD2-CD1 3.83Å; L84-L144 HydrophobicContact CD2-CG 4.28Å; F105-L144 HydrophobicContact CE2-CD1 4.25Å; F105-L144 HydrophobicContact CZ-CD1 4.31Å; F105-L144 HydrophobicContact CZ-CD2 3.96Å; I126-L144 HydrophobicContact CG2-CD2 3.57Å; L127-L144 HydrophobicContact CD2-CD2 4.19Å; L127-L144 HydrophobicContact CD2-CG 4.09Å; I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.15Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.49Å; I140-L144 PolarHBondContact O-N 3.24Å; L144-R146 PolarHBondContact O-N 3.45Å; L144-L147 PolarHBondContact O-N 3.09Å; L144-C148 CarbonylContact O-C 3.44Å; L144-C148 VanDerWaalsContact O-CA 3.26Å; L144-C148 WeakPolarHBondContact O-CA 3.42Å; L144-C148 PolarHBondContact O-N 3.39Å; L144-I151 HydrophobicContact CD1-CD1 4.26Å; L144-I151 HydrophobicContact CD2-CD1 4.14Å
145	N	91.1	Very high	89.8	Confident	54 Å²	54	41.1 Å²	41.1	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-27.5	176.8	-72.3	-14.6	0	0	0	112.8	D82 V141 P149	D82-N145 PolarHBondContact OD2-ND2 3.46Å; V141-N145 WeakPolarHBondContact CG1-ND2 3.48Å; V141-N145 VanDerWaalsContact O-CB 3.24Å; V141-N145 WeakPolarHBondContact O-CB 3.47Å; V141-N145 PolarHBondContact O-N 2.94Å; N145-P149 WeakPolarHBondContact O-CB 3.41Å
146	R	88.7	Confident	89.8	Confident	171 Å²	171	40.7 Å²	40.7	65%	0.645	21%	0.212	S	C	*	.	H	α-helix	trans	-76.9	-37.9	177	-178.5	179.5	63.9	116.9	3.6	113	S142 C143 L144	S142-R146 WeakPolarHBondContact O-CB 3.45Å; S142-R146 PolarHBondContact O-N 3.31Å; C143-R146 PolarHBondContact O-N 2.94Å; L144-R146 PolarHBondContact O-N 3.45Å
147	L	86.1	Confident	89.7	Confident	20 Å²	20	36.5 Å²	36.5	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-100.8	-33.3	-171.8	-69.7	175.6	0	0	0	113.4	I126 C143 L144 F195 F289	I126-L147 HydrophobicContact CB-CD1 4.23Å; I126-L147 HydrophobicContact CG1-CD1 4.23Å; I126-L147 HydrophobicContact CG2-CD1 3.99Å; C143-L147 WeakPolarHBondContact O-CB 3.31Å; C143-L147 PolarHBondContact O-N 3.04Å; C143-L147 VanDerWaalsContact O-N 3.09Å; L144-L147 PolarHBondContact O-N 3.09Å; L147-F195 WeakPolarHBondContact O-CB 3.33Å; L147-F289 HydrophobicContact CB-CD1 4.49Å; L147-F289 HydrophobicContact CB-CE1 4.16Å; L147-F289 HydrophobicContact CD1-CD1 4.33Å; L147-F289 HydrophobicContact CD2-CD1 4.33Å; L147-F289 HydrophobicContact CD2-CE1 4.3Å
148	C	89.8	Confident	89.5	Confident	2 Å²	2	35 Å²	35	1%	0.014	19%	0.188	C	C	.	.			trans	-140.7	60.8	-171.2	-63.3	0	0	0	0	109.9	L144 D150 I151 T194	L144-C148 CarbonylContact O-C 3.44Å; L144-C148 VanDerWaalsContact O-CA 3.26Å; L144-C148 WeakPolarHBondContact O-CA 3.42Å; L144-C148 PolarHBondContact O-N 3.39Å; C148-D150 PolarHBondContact O-N 3.16Å; C148-D150 VanDerWaalsContact O-N 3.11Å; C148-I151 HydrophobicContact CB-CB 4.1Å; C148-I151 HydrophobicContact CB-CD1 4.38Å; C148-I151 VanDerWaalsContact O-CB 3.3Å; C148-I151 WeakPolarHBondContact O-CB 3.49Å; C148-I151 VanDerWaalsContact O-CG2 3.31Å; C148-I151 WeakPolarHBondContact O-CG2 3.28Å; C148-I151 PolarHBondContact O-N 3.49Å; C148-I151 VanDerWaalsContact O-N 3.12Å; C148-T194 CarbonylContact C-O 3.59Å; C148-T194 WeakPolarHBondContact CA-O 3.39Å; C148-T194 WeakPolarHBondContact CB-OG1 3.49Å; C148-T194 PolarHBondContact SG-OG1 2.63Å
149	P	87.7	Confident	89.6	Confident	65 Å²	65	28.7 Å²	28.7	42%	0.422	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.6	-172.5	24.1	-35	0	0	0	114.1	N145	N145-P149 WeakPolarHBondContact O-CB 3.41Å
150	D	89.2	Confident	89.5	Confident	36 Å²	36	27.6 Å²	27.6	19%	0.193	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.8	-176.2	-57.1	-43.7	0	0	0	113	C148 C152 N153 T194 K201 E215	C148-D150 PolarHBondContact O-N 3.16Å; C148-D150 VanDerWaalsContact O-N 3.11Å; D150-C152 PolarHBondContact O-N 3.32Å; D150-N153 WeakPolarHBondContact CB-ND2 3.1Å; D150-N153 WeakPolarHBondContact O-CB 3.09Å; D150-N153 PolarHBondContact O-N 3.32Å; D150-N153 PolarHBondContact OD1-ND2 3.45Å; D150-T194 PolarHBondContact N-O 3.47Å; D150-T194 VanDerWaalsContact N-O 3.1Å; D150-K201 IonicContact OD2-NZ 3.66Å; D150-K201 PolarHBondContact OD2-NZ 3.28Å; D150-E215 HydrophobicContact CB-CG 4.14Å
151	I	90.4	Very high	89.1	Confident	7 Å²	7	28.6 Å²	28.6	4%	0.036	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.6	-171.5	-167.4	168	0	0	0	114.2	F105 F108 L144 C148 W190 T194	F105-I151 HydrophobicContact CE1-CD1 4.2Å; F105-I151 HydrophobicContact CZ-CD1 4.31Å; F108-I151 HydrophobicContact CB-CG1 4.36Å; F108-I151 HydrophobicContact CD2-CD1 3.76Å; F108-I151 HydrophobicContact CD2-CG1 3.71Å; F108-I151 HydrophobicContact CE2-CD1 4.12Å; F108-I151 HydrophobicContact CE2-CG1 4.21Å; F108-I151 HydrophobicContact CG-CG1 4.15Å; L144-I151 HydrophobicContact CD1-CD1 4.26Å; L144-I151 HydrophobicContact CD2-CD1 4.14Å; C148-I151 HydrophobicContact CB-CB 4.1Å; C148-I151 HydrophobicContact CB-CD1 4.38Å; C148-I151 VanDerWaalsContact O-CB 3.3Å; C148-I151 WeakPolarHBondContact O-CB 3.49Å; C148-I151 VanDerWaalsContact O-CG2 3.31Å; C148-I151 WeakPolarHBondContact O-CG2 3.28Å; C148-I151 PolarHBondContact O-N 3.49Å; C148-I151 VanDerWaalsContact O-N 3.12Å; I151-W190 HydrophobicContact CD1-CH2 4.31Å; I151-W190 HydrophobicContact CD1-CZ2 4.06Å; I151-W190 HydrophobicContact CG1-CZ2 4.19Å; I151-T194 HydrophobicContact CB-CG2 4.26Å; I151-T194 HydrophobicContact CG1-CG2 4.14Å
152	C	91.6	Very high	88.8	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.027	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-8	-178.7	-64.2	0	0	0	0	114	K83 L84 F87 F108 D150 D154 L155 V156	K83-C152 HydrophobicContact CB-CB 3.85Å; L84-C152 VanDerWaalsContact CA-SG 3.58Å; F87-C152 HydrophobicContact CD2-CB 4.26Å; F87-C152 HydrophobicContact CE2-CB 3.98Å; F108-C152 HydrophobicContact CE1-CB 4.49Å; F108-C152 WeakPolarHBondContact CE1-SG 3.08Å; F108-C152 WeakPolarHBondContact CZ-SG 3.38Å; D150-C152 PolarHBondContact O-N 3.32Å; C152-D154 PolarHBondContact O-N 3.26Å; C152-L155 PolarHBondContact O-N 2.83Å; C152-V156 WeakPolarHBondContact O-CG2 2.89Å; C152-V156 PolarHBondContact O-N 3.02Å
153	N	88.2	Confident	88.7	Confident	31 Å²	31	24.1 Å²	24.1	17%	0.166	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-45.6	-170.2	-80.7	-20.7	0	0	0	111.9	K83 D150 V156 N157 E215	K83-N153 WeakPolarHBondContact CD-OD1 3.42Å; K83-N153 PolarHBondContact NZ-OD1 2.99Å; D150-N153 WeakPolarHBondContact CB-ND2 3.1Å; D150-N153 WeakPolarHBondContact O-CB 3.09Å; D150-N153 PolarHBondContact O-N 3.32Å; D150-N153 PolarHBondContact OD1-ND2 3.45Å; N153-V156 PolarHBondContact O-N 3.42Å; N153-N157 WeakPolarHBondContact O-CB 3.38Å; N153-N157 PolarHBondContact O-N 3.36Å; N153-N157 PolarHBondContact O-ND2 2.83Å; N153-E215 HydrophobicContact CB-CG 4.1Å
154	D	88	Confident	88.3	Confident	15 Å²	15	25.2 Å²	25.2	8%	0.08	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-48	-179.3	-73.3	-4.9	0	0	0	111.9	C152 V156 N157 I158 L214 E215 C216	C152-D154 PolarHBondContact O-N 3.26Å; D154-V156 VanDerWaalsContact C-N 3.35Å; D154-V156 PolarHBondContact O-N 2.67Å; D154-N157 PolarHBondContact O-N 2.66Å; D154-I158 WeakPolarHBondContact O-CB 3.26Å; D154-I158 VanDerWaalsContact O-CG1 3.3Å; D154-I158 WeakPolarHBondContact O-CG1 3.48Å; D154-I158 PolarHBondContact O-N 2.7Å; D154-L214 HydrophobicContact CB-CD2 4.09Å; D154-L214 VanDerWaalsContact OD1-CA 3.26Å; D154-L214 WeakPolarHBondContact OD1-CA 3.49Å; D154-E215 WeakPolarHBondContact OD1-CB 3.35Å; D154-E215 WeakPolarHBondContact OD1-CG 3.45Å; D154-E215 PolarHBondContact OD1-N 2.79Å; D154-E215 PolarHBondContact OD2-N 3.04Å; D154-C216 VanDerWaalsContact OD2-CB 3.27Å; D154-C216 WeakPolarHBondContact OD2-CB 3.2Å; D154-C216 PolarHBondContact OD2-N 3.1Å; D154-C216 PolarHBondContact OD2-SG 2.91Å
155	L	90.5	Very high	87.5	Confident	2 Å²	2	28 Å²	28	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-47.6	178.2	-178.9	61.1	0	0	0	110.8	L43 L46 F87 W107 F108 L110 C152 N157 I158 L159	L43-L155 HydrophobicContact CD1-CD1 4.3Å; L43-L155 HydrophobicContact CD2-CD1 4.34Å; L46-L155 HydrophobicContact CD2-CD1 4.15Å; L46-L155 HydrophobicContact CD2-CD2 4.11Å; F87-L155 HydrophobicContact CD1-CD2 4.12Å; F87-L155 HydrophobicContact CD2-CD2 4.49Å; F87-L155 HydrophobicContact CE1-CD2 3.59Å; F87-L155 HydrophobicContact CE1-CG 4.08Å; F87-L155 HydrophobicContact CE2-CD2 4.02Å; F87-L155 HydrophobicContact CE2-CG 4.43Å; F87-L155 HydrophobicContact CZ-CB 4.36Å; F87-L155 HydrophobicContact CZ-CD2 3.54Å; F87-L155 HydrophobicContact CZ-CG 3.74Å; W107-L155 HydrophobicContact CB-CD2 3.76Å; F108-L155 HydrophobicContact CD1-CD2 3.72Å; F108-L155 HydrophobicContact CE1-CD2 3.96Å; L110-L155 HydrophobicContact CD2-CD1 4.37Å; C152-L155 PolarHBondContact O-N 2.83Å; L155-N157 PolarHBondContact O-N 3.13Å; L155-I158 PolarHBondContact O-N 2.77Å; L155-L159 HydrophobicContact CD1-CD1 4.13Å; L155-L159 HydrophobicContact CD1-CD2 4.31Å; L155-L159 HydrophobicContact CD1-CG 3.97Å; L155-L159 HydrophobicContact CG-CD1 4.02Å; L155-L159 HydrophobicContact CG-CG 4.24Å; L155-L159 WeakPolarHBondContact O-CB 3.06Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.31Å
156	V	90.6	Very high	86.2	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.018	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-45.7	178.2	171.7	0	0	0	0	111.6	K83 F87 C152 N153 D154 I158 L159 L160	K83-V156 HydrophobicContact CB-CG2 3.98Å; K83-V156 HydrophobicContact CD-CB 4.08Å; K83-V156 HydrophobicContact CD-CG1 4.26Å; K83-V156 HydrophobicContact CD-CG2 3.82Å; K83-V156 HydrophobicContact CG-CG2 4Å; F87-V156 HydrophobicContact CE2-CG2 3.58Å; F87-V156 HydrophobicContact CZ-CG2 3.65Å; C152-V156 WeakPolarHBondContact O-CG2 2.89Å; C152-V156 PolarHBondContact O-N 3.02Å; N153-V156 PolarHBondContact O-N 3.42Å; D154-V156 VanDerWaalsContact C-N 3.35Å; D154-V156 PolarHBondContact O-N 2.67Å; V156-I158 VanDerWaalsContact C-N 3.32Å; V156-I158 PolarHBondContact O-N 3.08Å; V156-L159 PolarHBondContact O-N 2.67Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.2Å; V156-L160 WeakPolarHBondContact O-CB 3.14Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.29Å
157	N	87	Confident	85	Confident	25 Å²	25	27.5 Å²	27.5	13%	0.134	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-42.2	179.9	-69	-20.2	0	0	0	111.5	N153 D154 L155 Q161 L214	N153-N157 WeakPolarHBondContact O-CB 3.38Å; N153-N157 PolarHBondContact O-N 3.36Å; N153-N157 PolarHBondContact O-ND2 2.83Å; D154-N157 PolarHBondContact O-N 2.66Å; L155-N157 PolarHBondContact O-N 3.13Å; N157-Q161 PolarHBondContact O-N 3.25Å; N157-L214 HydrophobicContact CB-CD2 4Å
158	I	87.3	Confident	83.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-50.5	175	-78	167.5	0	0	0	111	L110 D154 L155 V156 L160 Q161 L162 F169 L171 L208 L214	L110-I158 HydrophobicContact CD1-CD1 3.6Å; L110-I158 HydrophobicContact CD2-CD1 3.58Å; L110-I158 HydrophobicContact CG-CD1 4.25Å; D154-I158 WeakPolarHBondContact O-CB 3.26Å; D154-I158 VanDerWaalsContact O-CG1 3.3Å; D154-I158 WeakPolarHBondContact O-CG1 3.48Å; D154-I158 PolarHBondContact O-N 2.7Å; L155-I158 PolarHBondContact O-N 2.77Å; V156-I158 VanDerWaalsContact C-N 3.32Å; V156-I158 PolarHBondContact O-N 3.08Å; I158-L160 PolarHBondContact O-N 3.43Å; I158-Q161 WeakPolarHBondContact O-CB 3.48Å; I158-Q161 PolarHBondContact O-N 2.88Å; I158-Q161 VanDerWaalsContact O-N 3.14Å; I158-L162 HydrophobicContact CG2-CD1 4Å; I158-L162 HydrophobicContact CG2-CG 4.47Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.48Å; I158-F169 HydrophobicContact CB-CZ 4.08Å; I158-F169 HydrophobicContact CD1-CZ 4.33Å; I158-F169 HydrophobicContact CG1-CZ 3.82Å; I158-F169 HydrophobicContact CG2-CE1 3.89Å; I158-F169 HydrophobicContact CG2-CZ 3.44Å; I158-F169 VanDerWaalsContact CG2-CZ 3.44Å; I158-L171 HydrophobicContact CD1-CD2 4.25Å; I158-L208 HydrophobicContact CG1-CD1 3.97Å; I158-L214 HydrophobicContact CD1-CD1 4.06Å; I158-L214 HydrophobicContact CD1-CD2 4.35Å; I158-L214 HydrophobicContact CG1-CD1 4.24Å; I158-L214 HydrophobicContact CG1-CD2 4.08Å
159	L	89.1	Confident	82.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-43.9	-178.9	-70	-177.2	0	0	0	111.8	F39 L43 L46 L77 F87 L155 V156 Q161 L162 L163	F39-L159 HydrophobicContact CD1-CD2 3.82Å; F39-L159 HydrophobicContact CE1-CD2 3.4Å; F39-L159 VanDerWaalsContact CE1-CD2 3.4Å; F39-L159 HydrophobicContact CZ-CD2 4.47Å; L43-L159 HydrophobicContact CD1-CD2 4.46Å; L46-L159 HydrophobicContact CD2-CD1 3.93Å; L46-L159 HydrophobicContact CD2-CD2 4.36Å; L77-L159 HydrophobicContact CD1-CB 4.07Å; L77-L159 HydrophobicContact CD1-CD1 4.4Å; L77-L159 HydrophobicContact CD2-CD1 4.35Å; F87-L159 HydrophobicContact CE1-CD1 3.67Å; F87-L159 HydrophobicContact CZ-CD1 3.94Å; L155-L159 HydrophobicContact CD1-CD1 4.13Å; L155-L159 HydrophobicContact CD1-CD2 4.31Å; L155-L159 HydrophobicContact CD1-CG 3.97Å; L155-L159 HydrophobicContact CG-CD1 4.02Å; L155-L159 HydrophobicContact CG-CG 4.24Å; L155-L159 WeakPolarHBondContact O-CB 3.06Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.31Å; V156-L159 PolarHBondContact O-N 2.67Å; L159-Q161 PolarHBondContact O-N 2.95Å; L159-L162 HydrophobicContact CD2-CD1 4.5Å; L159-L162 PolarHBondContact O-N 2.66Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.2Å
160	L	88	Confident	81.7	Confident	28 Å²	28	33.8 Å²	33.8	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-37	175.7	-72.1	175.3	0	0	0	111.4	I74 L77 S78 V156 I158 N164	I74-L160 HydrophobicContact CG2-CD2 4.03Å; L77-L160 HydrophobicContact CB-CD2 3.77Å; L77-L160 HydrophobicContact CB-CG 4.32Å; L77-L160 HydrophobicContact CD1-CD2 4.47Å; S78-L160 WeakPolarHBondContact OG-CD2 3.2Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.2Å; V156-L160 WeakPolarHBondContact O-CB 3.14Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.29Å; I158-L160 PolarHBondContact O-N 3.43Å; L160-N164 VanDerWaalsContact O-CB 3.28Å; L160-N164 WeakPolarHBondContact O-CB 3.42Å; L160-N164 PolarHBondContact O-N 3.25Å; L160-N164 PolarHBondContact O-ND2 3.09Å
161	Q	83.9	Confident	80.9	Confident	22 Å²	22	32.3 Å²	32.3	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-49	174.7	-171.7	167.5	-3.6	0	0	112.3	N157 I158 L159 L163 N164 D165 L208	N157-Q161 PolarHBondContact O-N 3.25Å; I158-Q161 WeakPolarHBondContact O-CB 3.48Å; I158-Q161 PolarHBondContact O-N 2.88Å; I158-Q161 VanDerWaalsContact O-N 3.14Å; L159-Q161 PolarHBondContact O-N 2.95Å; Q161-L163 PolarHBondContact O-N 3.39Å; Q161-N164 PolarHBondContact O-N 3.02Å; Q161-N164 VanDerWaalsContact O-N 3.14Å; Q161-D165 HydrophobicContact CG-CB 4.37Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.13Å; Q161-D165 PolarHBondContact NE2-OD2 2.82Å; Q161-D165 VanDerWaalsContact NE2-OD2 3.09Å; Q161-D165 WeakPolarHBondContact O-CB 3.06Å; Q161-D165 PolarHBondContact O-N 3.24Å; Q161-L208 VanDerWaalsContact OE1-CD1 3.25Å; Q161-L208 VanDerWaalsContact OE1-CD2 3.23Å; Q161-L208 VanDerWaalsContact OE1-CG 3.29Å
162	L	85.7	Confident	79.8	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-34.5	177.9	-68.1	175.5	0	0	0	112.6	K38 F39 I158 L159 F169	K38-L162 PolarHBondContact NZ-O 3.15Å; K38-L162 WeakPolarHBondContact O-CD2 3.22Å; F39-L162 HydrophobicContact CD1-CD1 4.4Å; I158-L162 HydrophobicContact CG2-CD1 4Å; I158-L162 HydrophobicContact CG2-CG 4.47Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.48Å; L159-L162 HydrophobicContact CD2-CD1 4.5Å; L159-L162 PolarHBondContact O-N 2.66Å; L162-F169 HydrophobicContact CD1-CE1 4.15Å; L162-F169 HydrophobicContact CD2-CD1 3.34Å; L162-F169 HydrophobicContact CD2-CE1 3.37Å; L162-F169 HydrophobicContact CD2-CG 4.38Å; L162-F169 HydrophobicContact CD2-CZ 4.43Å; L162-F169 HydrophobicContact CG-CD1 4.11Å; L162-F169 HydrophobicContact CG-CE1 3.61Å
163	L	86.9	Confident	78.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-79.6	-32.7	178.6	-66.7	172.7	0	0	0	112.7	F35 K38 F39 Y70 I73 I74 L77 L159 Q161	F35-L163 HydrophobicContact CE2-CD2 3.73Å; F35-L163 HydrophobicContact CZ-CD2 4.24Å; K38-L163 HydrophobicContact CD-CD2 4.47Å; F39-L163 HydrophobicContact CE2-CD2 4.33Å; F39-L163 HydrophobicContact CZ-CD2 4.12Å; Y70-L163 HydrophobicContact CE2-CD2 3.85Å; Y70-L163 VanDerWaalsContact OH-C 3.28Å; Y70-L163 VanDerWaalsContact OH-CA 3.24Å; Y70-L163 WeakPolarHBondContact OH-CA 3.27Å; Y70-L163 PolarHBondContact OH-O 3.31Å; I73-L163 HydrophobicContact CG2-CD1 3.9Å; I74-L163 HydrophobicContact CD1-CB 4.12Å; I74-L163 HydrophobicContact CG1-CB 3.92Å; I74-L163 HydrophobicContact CG1-CD1 4.13Å; L77-L163 HydrophobicContact CD1-CD1 3.69Å; L159-L163 WeakPolarHBondContact O-CB 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.2Å; Q161-L163 PolarHBondContact O-N 3.39Å
164	N	82.3	Confident	77.9	Confident	39 Å²	39	41.6 Å²	41.6	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-88.3	-33.3	-179.6	-74.7	-54.9	0	0	0	113.7	P14 L160 Q161	P14-N164 HydrophobicContact CB-CB 4.24Å; P14-N164 WeakPolarHBondContact CG-OD1 3.13Å; L160-N164 VanDerWaalsContact O-CB 3.28Å; L160-N164 WeakPolarHBondContact O-CB 3.42Å; L160-N164 PolarHBondContact O-N 3.25Å; L160-N164 PolarHBondContact O-ND2 3.09Å; Q161-N164 PolarHBondContact O-N 3.02Å; Q161-N164 VanDerWaalsContact O-N 3.14Å
165	D	74.7	Confident	77.4	Confident	58 Å²	58	44.5 Å²	44.5	31%	0.31	24%	0.239	S	C	.	.			trans	-93	152.9	-174.5	-70.3	-13.8	0	0	0	112.1	K38 Q161	K38-D165 PolarHBondContact NZ-O 3.37Å; Q161-D165 HydrophobicContact CG-CB 4.37Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.13Å; Q161-D165 PolarHBondContact NE2-OD2 2.82Å; Q161-D165 VanDerWaalsContact NE2-OD2 3.09Å; Q161-D165 WeakPolarHBondContact O-CB 3.06Å; Q161-D165 PolarHBondContact O-N 3.24Å
166	N	64.8	Low	76.8	Confident	71 Å²	71	45.2 Å²	45.2	38%	0.38	24%	0.244	S	C	.	.	S	Bend	trans	-79.6	-5.2	169.3	-78.4	-41.5	0	0	0	112.7	T17 Y18 T19	T17-N166 PolarHBondContact O-ND2 2.65Å; Y18-N166 VanDerWaalsContact CA-OD1 3.28Å; Y18-N166 WeakPolarHBondContact CA-OD1 3.27Å; Y18-N166 WeakPolarHBondContact CD2-OD1 3.33Å; Y18-N166 VanDerWaalsContact CE2-OD1 3.24Å; Y18-N166 WeakPolarHBondContact CE2-OD1 3.37Å; T19-N166 PolarHBondContact N-OD1 3.39Å; T19-N166 PolarHBondContact OG1-OD1 3.33Å
167	H	63.3	Low	76.5	Confident	145 Å²	145	46.1 Å²	46.1	67%	0.671	25%	0.247	S	C	*	.			trans	-95.8	115.3	-176.4	-64.5	-57.5	0	0	0	110	F169	H167-F169 PolarHBondContact O-N 2.82Å
168	S	61.7	Low	76.4	Confident	98 Å²	98	49.2 Å²	49.2	69%	0.685	27%	0.267	S	S	*	.			trans	-67.6	128.4	157.3	50.6	0	0	0	0	107.7
169	F	64.8	Low	76.4	Confident	43 Å²	43	50.6 Å²	50.6	19%	0.189	27%	0.274	C	S	.	.			trans	-105.4	132.4	165.5	76.7	-93.6	0	0	0	107.5	I158 L162 H167 L171 L208	I158-F169 HydrophobicContact CB-CZ 4.08Å; I158-F169 HydrophobicContact CD1-CZ 4.33Å; I158-F169 HydrophobicContact CG1-CZ 3.82Å; I158-F169 HydrophobicContact CG2-CE1 3.89Å; I158-F169 HydrophobicContact CG2-CZ 3.44Å; I158-F169 VanDerWaalsContact CG2-CZ 3.44Å; L162-F169 HydrophobicContact CD1-CE1 4.15Å; L162-F169 HydrophobicContact CD2-CD1 3.34Å; L162-F169 HydrophobicContact CD2-CE1 3.37Å; L162-F169 HydrophobicContact CD2-CG 4.38Å; L162-F169 HydrophobicContact CD2-CZ 4.43Å; L162-F169 HydrophobicContact CG-CD1 4.11Å; L162-F169 HydrophobicContact CG-CE1 3.61Å; H167-F169 PolarHBondContact O-N 2.82Å; F169-L171 HydrophobicContact CD2-CD2 4.26Å; F169-L171 HydrophobicContact CD2-CG 4.12Å; F169-L171 HydrophobicContact CE2-CB 4.5Å; F169-L171 HydrophobicContact CE2-CD1 4.35Å; F169-L171 HydrophobicContact CE2-CD2 3.22Å; F169-L171 HydrophobicContact CE2-CG 3.4Å; F169-L171 VanDerWaalsContact CE2-CG 3.4Å; F169-L171 HydrophobicContact CZ-CD1 4.35Å; F169-L171 HydrophobicContact CZ-CD2 3.7Å; F169-L171 HydrophobicContact CZ-CG 3.86Å; F169-L171 PolarHBondContact O-N 3.21Å; F169-L208 HydrophobicContact CD1-CD2 4.3Å; F169-L208 HydrophobicContact CE1-CD2 4.23Å; F169-L208 HydrophobicContact CE2-CD2 4.39Å; F169-L208 HydrophobicContact CG-CD2 4.44Å; F169-L208 HydrophobicContact CZ-CD2 4.29Å
170	N	68.8	Low	76.3	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	31%	0.312	S	S	.	.			trans	-76.7	110.7	-179.9	-174.3	4.9	0	0	0	108.7	D40 T172 D173	D40-N170 PolarHBondContact OD2-OD1 3.3Å; N170-T172 PolarHBondContact ND2-OG1 3.01Å; N170-T172 PolarHBondContact O-N 3.35Å; N170-T172 WeakPolarHBondContact OD1-CB 3.38Å; N170-T172 PolarHBondContact OD1-N 3.19Å; N170-T172 VanDerWaalsContact OD1-N 3.13Å; N170-T172 PolarHBondContact OD1-OG1 2.89Å; N170-D173 PolarHBondContact ND2-OD2 3.34Å
171	L	71.7	Confident	76.2	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.3	-24.5	179.6	-84.6	163.7	0	0	0	111.2	D40 L43 L110 I158 F169 D173 F174	D40-L171 HydrophobicContact CB-CB 3.9Å; D40-L171 HydrophobicContact CB-CD1 3.77Å; D40-L171 HydrophobicContact CB-CG 4.22Å; D40-L171 PolarHBondContact OD2-N 3.04Å; L43-L171 HydrophobicContact CD1-CD1 3.53Å; L43-L171 HydrophobicContact CG-CD1 4.27Å; L110-L171 HydrophobicContact CB-CD2 4.13Å; L110-L171 HydrophobicContact CD1-CD2 3.85Å; L110-L171 HydrophobicContact CD2-CD2 4.09Å; L110-L171 HydrophobicContact CG-CD2 4.23Å; I158-L171 HydrophobicContact CD1-CD2 4.25Å; F169-L171 HydrophobicContact CD2-CD2 4.26Å; F169-L171 HydrophobicContact CD2-CG 4.12Å; F169-L171 HydrophobicContact CE2-CB 4.5Å; F169-L171 HydrophobicContact CE2-CD1 4.35Å; F169-L171 HydrophobicContact CE2-CD2 3.22Å; F169-L171 HydrophobicContact CE2-CG 3.4Å; F169-L171 VanDerWaalsContact CE2-CG 3.4Å; F169-L171 HydrophobicContact CZ-CD1 4.35Å; F169-L171 HydrophobicContact CZ-CD2 3.7Å; F169-L171 HydrophobicContact CZ-CG 3.86Å; F169-L171 PolarHBondContact O-N 3.21Å; L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 3.25Å; L171-F174 WeakPolarHBondContact O-CB 3.46Å; L171-F174 PolarHBondContact O-N 3.31Å
172	T	66.7	Low	76.5	Confident	74 Å²	74	57.6 Å²	57.6	45%	0.454	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-66	-27.3	-178.6	59.7	0	0	0	0	114.5	F41 N170 F174	F41-T172 HydrophobicContact CD1-CG2 4.41Å; F41-T172 HydrophobicContact CE1-CG2 3.33Å; F41-T172 HydrophobicContact CZ-CG2 3.71Å; N170-T172 PolarHBondContact ND2-OG1 3.01Å; N170-T172 PolarHBondContact O-N 3.35Å; N170-T172 WeakPolarHBondContact OD1-CB 3.38Å; N170-T172 PolarHBondContact OD1-N 3.19Å; N170-T172 VanDerWaalsContact OD1-N 3.13Å; N170-T172 PolarHBondContact OD1-OG1 2.89Å; T172-F174 VanDerWaalsContact C-N 3.3Å
173	D	66.7	Low	77	Confident	132 Å²	132	58.3 Å²	58.3	71%	0.706	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-83.1	-12.7	176	-63.7	-43.5	0	0	0	112	N170 L171 N175	N170-D173 PolarHBondContact ND2-OD2 3.34Å; L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 3.25Å; D173-N175 PolarHBondContact O-N 3.42Å
174	F	74.5	Confident	77.4	Confident	30 Å²	30	58.5 Å²	58.5	13%	0.132	33%	0.333	C	S	.	.			trans	-81.7	104.1	-179.4	-174.7	-117.2	0	0	0	110.9	L110 R112 L171 T172 P176 C207 L214 E217	L110-F174 HydrophobicContact CD1-CD1 3.95Å; L110-F174 HydrophobicContact CD1-CE1 4.01Å; R112-F174 PolarHBondContact NH2-O 2.95Å; L171-F174 WeakPolarHBondContact O-CB 3.46Å; L171-F174 PolarHBondContact O-N 3.31Å; T172-F174 VanDerWaalsContact C-N 3.3Å; F174-P176 HydrophobicContact CD1-CG 4.18Å; F174-P176 HydrophobicContact CE1-CB 4.06Å; F174-P176 HydrophobicContact CE1-CG 3.59Å; F174-P176 HydrophobicContact CE2-CB 4.28Å; F174-P176 HydrophobicContact CZ-CB 3.73Å; F174-P176 HydrophobicContact CZ-CG 3.82Å; F174-C207 HydrophobicContact CE2-CB 4.27Å; F174-C207 WeakPolarHBondContact CE2-SG 3.3Å; F174-L214 HydrophobicContact CE1-CD1 4.04Å; F174-L214 HydrophobicContact CZ-CD1 3.8Å; F174-E217 HydrophobicContact CE2-CG 3.96Å; F174-E217 WeakPolarHBondContact CE2-OE1 3.37Å; F174-E217 HydrophobicContact CZ-CG 3.62Å
175	N	77.2	Confident	77.9	Confident	77 Å²	77	58.8 Å²	58.8	41%	0.412	34%	0.336	S	S	.	.			trans	-118.9	89.7	171.4	-171.5	16.9	0	0	0	110.8	R112 D173 Y177 T178	R112-N175 VanDerWaalsContact CZ-OD1 3.22Å; R112-N175 PolarHBondContact NH1-OD1 2.89Å; R112-N175 VanDerWaalsContact NH2-CA 3.27Å; R112-N175 VanDerWaalsContact NH2-CB 3.31Å; R112-N175 PolarHBondContact NH2-OD1 2.92Å; D173-N175 PolarHBondContact O-N 3.42Å; N175-Y177 VanDerWaalsContact C-N 3.28Å; N175-Y177 PolarHBondContact O-N 2.86Å; N175-Y177 PolarHBondContact OD1-N 3.47Å; N175-T178 WeakPolarHBondContact O-CG2 3.32Å
176	P	77.6	Confident	78.7	Confident	16 Å²	16	58 Å²	58	10%	0.104	34%	0.336	C	S	.	.			trans	-74	-22.3	177.6	29.2	-34.1	0	0	0	112.3	F174 T178 C216 E217	F174-P176 HydrophobicContact CD1-CG 4.18Å; F174-P176 HydrophobicContact CE1-CB 4.06Å; F174-P176 HydrophobicContact CE1-CG 3.59Å; F174-P176 HydrophobicContact CE2-CB 4.28Å; F174-P176 HydrophobicContact CZ-CB 3.73Å; F174-P176 HydrophobicContact CZ-CG 3.82Å; P176-T178 PolarHBondContact O-N 3.35Å; P176-T178 VanDerWaalsContact O-N 3.16Å; P176-C216 HydrophobicContact CB-CB 4.02Å; P176-C216 HydrophobicContact CG-CB 3.84Å; P176-E217 HydrophobicContact CB-CG 4.39Å
177	Y	83.6	Confident	80	Confident	22 Å²	22	55.4 Å²	55.4	9%	0.086	32%	0.321	C	S	.	.			trans	-93.3	62.6	-173.5	-49.8	-54.9	0	0	0	112	N175 Q189 W190 C216	N175-Y177 VanDerWaalsContact C-N 3.28Å; N175-Y177 PolarHBondContact O-N 2.86Å; N175-Y177 PolarHBondContact OD1-N 3.47Å; Y177-Q189 VanDerWaalsContact C-OE1 3.23Å; Y177-Q189 HydrophobicContact CD1-CB 3.49Å; Y177-Q189 VanDerWaalsContact CD1-CB 3.49Å; Y177-Q189 HydrophobicContact CE1-CB 4.27Å; Y177-Q189 HydrophobicContact CG-CB 4.09Å; Y177-W190 HydrophobicContact CE1-CB 4.03Å; Y177-W190 HydrophobicContact CE2-CB 3.91Å; Y177-W190 VanDerWaalsContact OH-CD1 3.28Å; Y177-C216 HydrophobicContact CE1-CB 3.8Å; Y177-C216 WeakPolarHBondContact OH-CB 3.04Å
178	T	84.4	Confident	81.5	Confident	91 Å²	91	49 Å²	49	56%	0.558	29%	0.292	S	S	*	.			trans	-92.7	-10.2	-174.8	58	0	0	0	0	114.2	N175 P176 S180	N175-T178 WeakPolarHBondContact O-CG2 3.32Å; P176-T178 PolarHBondContact O-N 3.35Å; P176-T178 VanDerWaalsContact O-N 3.16Å; T178-S180 PolarHBondContact O-N 2.96Å
179	L	88.9	Confident	83	Confident	28 Å²	28	44.4 Å²	44.4	15%	0.147	26%	0.26	C	S	.	.			trans	-65.3	137.7	-178.9	-54.1	173.2	0	0	0	109.4	L184 Q189 L219 L222 W354	L179-L184 HydrophobicContact CB-CD2 4.47Å; L179-L184 HydrophobicContact CD1-CD2 4.03Å; L179-Q189 PolarHBondContact O-NE2 2.78Å; L179-L219 WeakPolarHBondContact CD1-O 3.19Å; L179-L222 HydrophobicContact CD1-CB 3.81Å; L179-L222 HydrophobicContact CD1-CD1 4.03Å; L179-L222 HydrophobicContact CD1-CG 4.34Å; L179-W354 HydrophobicContact CB-CH2 3.99Å; L179-W354 HydrophobicContact CB-CZ3 4.14Å; L179-W354 HydrophobicContact CD1-CZ3 4.27Å; L179-W354 HydrophobicContact CD2-CZ3 4.24Å; L179-W354 HydrophobicContact CG-CZ3 4.47Å
180	S	85.6	Confident	84.3	Confident	112 Å²	112	42.7 Å²	42.7	78%	0.783	25%	0.252	S	S	*	.			trans	-115.5	109.2	180	-172	0	0	0	0	109.3	T178	T178-S180 PolarHBondContact O-N 2.96Å
181	G	86.6	Confident	85.4	Confident	19 Å²	19	39 Å²	39	20%	0.196	23%	0.232	C	C	.	.			trans	-129	159.7	172	0	0	0	0	0	110.9	I183 E352	G181-I183 VanDerWaalsContact C-N 3.3Å; G181-E352 WeakPolarHBondContact CA-OE1 3.33Å
182	T	91.1	Very high	86.5	Confident	67 Å²	67	38.9 Å²	38.9	41%	0.411	23%	0.232	S	C	.	.	S	Bend	trans	-63.1	-41.9	172.2	-63	0	0	0	0	110.7	D227 T229 E352	T182-D227 VanDerWaalsContact OG1-CG 3.3Å; T182-D227 PolarHBondContact OG1-OD1 3.27Å; T182-D227 VanDerWaalsContact OG1-OD1 3.13Å; T182-D227 PolarHBondContact OG1-OD2 2.87Å; T182-T229 VanDerWaalsContact CG2-OG1 3.26Å; T182-T229 WeakPolarHBondContact CG2-OG1 3.24Å; T182-T229 WeakPolarHBondContact OG1-CB 3.25Å; T182-T229 PolarHBondContact OG1-OG1 2.62Å; T182-E352 PolarHBondContact N-OE2 3Å
183	I	95.6	Very high	87.7	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.092	21%	0.211	C	C	.	.	S	Bend	trans	-99.2	-46.6	-178.3	-56.8	177.7	0	0	0	110.3	G181 T185 L188 F252 K254 L259 A350 E352	G181-I183 VanDerWaalsContact C-N 3.3Å; I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.5Å; I183-L188 HydrophobicContact CG2-CD1 4.49Å; I183-L188 WeakPolarHBondContact O-CD1 3.39Å; I183-F252 HydrophobicContact CB-CB 4.31Å; I183-F252 HydrophobicContact CD1-CB 3.82Å; I183-F252 HydrophobicContact CG2-CB 3.89Å; I183-F252 HydrophobicContact CG2-CD1 4.06Å; I183-F252 HydrophobicContact CG2-CG 3.94Å; I183-K254 HydrophobicContact CD1-CB 4.14Å; I183-L259 HydrophobicContact CG2-CD1 3.65Å; I183-L259 HydrophobicContact CG2-CD2 4.16Å; I183-A350 HydrophobicContact CD1-CB 3.9Å; I183-A350 HydrophobicContact CG1-CB 4.3Å; I183-E352 HydrophobicContact CB-CB 4.35Å; I183-E352 WeakPolarHBondContact CB-OE2 3.35Å; I183-E352 HydrophobicContact CD1-CB 4.01Å; I183-E352 HydrophobicContact CG1-CB 4.34Å; I183-E352 PolarHBondContact N-OE2 2.99Å
184	L	94.8	Very high	88.9	Confident	6 Å²	6	29.3 Å²	29.3	3%	0.031	18%	0.178	C	C	.	.			trans	-73.2	78.8	-176.7	-173.8	63.3	0	0	0	112.1	L179 L188 Q189 L222 F252 E352 W354	L179-L184 HydrophobicContact CB-CD2 4.47Å; L179-L184 HydrophobicContact CD1-CD2 4.03Å; L184-L188 HydrophobicContact CD1-CB 4.13Å; L184-Q189 HydrophobicContact CD1-CG 3.85Å; L184-Q189 HydrophobicContact CD2-CG 4.19Å; L184-Q189 HydrophobicContact CG-CG 3.75Å; L184-Q189 PolarHBondContact O-NE2 3.21Å; L184-L222 HydrophobicContact CD2-CD1 4.5Å; L184-F252 HydrophobicContact CB-CE2 4.17Å; L184-F252 HydrophobicContact CD1-CE2 3.96Å; L184-F252 HydrophobicContact CD1-CZ 3.8Å; L184-F252 HydrophobicContact CG-CE2 4.47Å; L184-E352 WeakPolarHBondContact CB-OE1 3.35Å; L184-E352 PolarHBondContact N-OE1 3.45Å; L184-E352 VanDerWaalsContact N-OE1 3.15Å; L184-W354 HydrophobicContact CB-CZ2 3.95Å; L184-W354 HydrophobicContact CD2-CD2 3.83Å; L184-W354 VanDerWaalsContact CD2-CE2 3.47Å; L184-W354 HydrophobicContact CD2-CE3 4.29Å; L184-W354 HydrophobicContact CD2-CG 4.32Å; L184-W354 HydrophobicContact CD2-CH2 4.18Å; L184-W354 HydrophobicContact CD2-CZ2 3.69Å; L184-W354 HydrophobicContact CD2-CZ3 4.45Å; L184-W354 HydrophobicContact CG-CZ2 4.4Å
185	T	93.1	Very high	89.7	Confident	44 Å²	44	28.6 Å²	28.6	27%	0.27	18%	0.175	S	C	.	.			trans	-73.9	167	175.9	64.7	0	0	0	0	112.3	I183 D187 L188 Q189	I183-T185 VanDerWaalsContact C-N 3.29Å; I183-T185 PolarHBondContact O-N 3.5Å; T185-D187 VanDerWaalsContact C-N 3.26Å; T185-D187 PolarHBondContact O-N 2.95Å; T185-L188 PolarHBondContact O-N 3.21Å; T185-L188 VanDerWaalsContact O-N 3.14Å; T185-L188 PolarHBondContact OG1-N 3.41Å; T185-Q189 WeakPolarHBondContact O-CG 3.5Å; T185-Q189 PolarHBondContact O-N 2.67Å
186	S	91.5	Very high	90.4	Very high	43 Å²	43	25 Å²	25	30%	0.301	16%	0.156	S	C	.	.	H	α-helix	trans	-52.4	-42.6	172.9	50.6	0	0	0	0	113.2	L188 Q189 W190	S186-L188 VanDerWaalsContact C-N 3.3Å; S186-L188 PolarHBondContact O-N 3.01Å; S186-Q189 PolarHBondContact O-N 3.13Å; S186-W190 PolarHBondContact O-N 3.45Å
187	D	92.2	Very high	91	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-36.1	-178	-57.7	12.7	0	0	0	110.6	L114 K115 M118 T185 L191	L114-D187 HydrophobicContact CD2-CB 4.04Å; K115-D187 WeakPolarHBondContact CB-OD2 3.46Å; K115-D187 VanDerWaalsContact CG-OD2 3.32Å; K115-D187 WeakPolarHBondContact CG-OD2 3.27Å; K115-D187 PolarHBondContact N-OD2 3.32Å; M118-D187 HydrophobicContact CE-CB 3.78Å; M118-D187 HydrophobicContact CG-CB 4.38Å; T185-D187 VanDerWaalsContact C-N 3.26Å; T185-D187 PolarHBondContact O-N 2.95Å; D187-L191 WeakPolarHBondContact O-CB 3.28Å; D187-L191 PolarHBondContact O-N 3Å
188	L	93.7	Very high	91.2	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-73.7	-37.4	173.6	-72.7	173.6	0	0	0	111.8	M118 I183 L184 T185 S186 W190 L191 F192 L259 I285	M118-L188 HydrophobicContact CE-CD2 3.83Å; M118-L188 HydrophobicContact CE-CG 4.22Å; I183-L188 HydrophobicContact CG2-CD1 4.49Å; I183-L188 WeakPolarHBondContact O-CD1 3.39Å; L184-L188 HydrophobicContact CD1-CB 4.13Å; T185-L188 PolarHBondContact O-N 3.21Å; T185-L188 VanDerWaalsContact O-N 3.14Å; T185-L188 PolarHBondContact OG1-N 3.41Å; S186-L188 VanDerWaalsContact C-N 3.3Å; S186-L188 PolarHBondContact O-N 3.01Å; L188-W190 VanDerWaalsContact C-N 3.3Å; L188-W190 PolarHBondContact O-N 3.01Å; L188-L191 HydrophobicContact CD2-CD2 4.33Å; L188-L191 PolarHBondContact O-N 3.05Å; L188-F192 HydrophobicContact CB-CD2 4.44Å; L188-F192 HydrophobicContact CD2-CE2 4.17Å; L188-F192 VanDerWaalsContact O-CB 3.3Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD2 3.22Å; L188-F192 PolarHBondContact O-N 3.22Å; L188-L259 HydrophobicContact CD1-CD2 4.07Å; L188-I285 HydrophobicContact CD2-CG2 3.79Å
189	Q	93.7	Very high	91.6	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-42.9	174.2	-67.8	169.6	57.6	0	0	111.2	Y177 L179 L184 T185 S186 F192 S193 L219	Y177-Q189 VanDerWaalsContact C-OE1 3.23Å; Y177-Q189 HydrophobicContact CD1-CB 3.49Å; Y177-Q189 VanDerWaalsContact CD1-CB 3.49Å; Y177-Q189 HydrophobicContact CE1-CB 4.27Å; Y177-Q189 HydrophobicContact CG-CB 4.09Å; L179-Q189 PolarHBondContact O-NE2 2.78Å; L184-Q189 HydrophobicContact CD1-CG 3.85Å; L184-Q189 HydrophobicContact CD2-CG 4.19Å; L184-Q189 HydrophobicContact CG-CG 3.75Å; L184-Q189 PolarHBondContact O-NE2 3.21Å; T185-Q189 WeakPolarHBondContact O-CG 3.5Å; T185-Q189 PolarHBondContact O-N 2.67Å; S186-Q189 PolarHBondContact O-N 3.13Å; Q189-F192 PolarHBondContact O-N 2.95Å; Q189-S193 PolarHBondContact O-N 3.45Å; Q189-L219 WeakPolarHBondContact O-CD1 3.41Å
190	W	91.6	Very high	91.9	Very high	6 Å²	6	28.8 Å²	28.8	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-52.6	171.1	169.7	80.4	0	0	0	111.6	F105 L109 L114 I151 Y177 S186 L188 F192 S193 T194	F105-W190 AromaticContact CD1-CH2 3.72Å; F105-W190 HydrophobicContact CD1-CH2 3.72Å; F105-W190 HydrophobicContact CD1-CZ2 4.1Å; F105-W190 AromaticContact CE1-CH2 3.65Å; F105-W190 HydrophobicContact CE1-CH2 3.65Å; F105-W190 HydrophobicContact CE1-CZ2 4.32Å; L109-W190 HydrophobicContact CD2-CB 4.17Å; L109-W190 VanDerWaalsContact CD2-CD1 3.44Å; L109-W190 HydrophobicContact CD2-CD2 3.46Å; L109-W190 VanDerWaalsContact CD2-CD2 3.46Å; L109-W190 HydrophobicContact CD2-CE3 4.16Å; L109-W190 HydrophobicContact CD2-CG 3.41Å; L109-W190 VanDerWaalsContact CD2-CG 3.41Å; L109-W190 HydrophobicContact CD2-CZ2 4.34Å; L109-W190 HydrophobicContact CG-CD2 4.36Å; L109-W190 HydrophobicContact CG-CZ2 4.39Å; L114-W190 HydrophobicContact CD1-CZ3 4.26Å; L114-W190 HydrophobicContact CD2-CE3 4.28Å; I151-W190 HydrophobicContact CD1-CH2 4.31Å; I151-W190 HydrophobicContact CD1-CZ2 4.06Å; I151-W190 HydrophobicContact CG1-CZ2 4.19Å; Y177-W190 HydrophobicContact CE1-CB 4.03Å; Y177-W190 HydrophobicContact CE2-CB 3.91Å; Y177-W190 VanDerWaalsContact OH-CD1 3.28Å; S186-W190 PolarHBondContact O-N 3.45Å; L188-W190 VanDerWaalsContact C-N 3.3Å; L188-W190 PolarHBondContact O-N 3.01Å; W190-F192 PolarHBondContact O-N 3.04Å; W190-S193 PolarHBondContact O-N 3.06Å; W190-S193 PolarHBondContact O-OG 2.95Å; W190-T194 HydrophobicContact CD2-CG2 4.49Å; W190-T194 HydrophobicContact CZ2-CG2 4.11Å; W190-T194 WeakPolarHBondContact O-CG2 3.12Å; W190-T194 PolarHBondContact O-N 2.9Å
191	L	92.7	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55.8	-44	-178.5	-179.7	62.3	0	0	0	110.8	M118 L121 I126 D187 L188 S193 T194 F195 F289	M118-L191 HydrophobicContact CE-CD2 4.35Å; M118-L191 HydrophobicContact SD-CD2 4.31Å; L121-L191 HydrophobicContact CD2-CD2 4.45Å; I126-L191 HydrophobicContact CD1-CD1 4.27Å; D187-L191 WeakPolarHBondContact O-CB 3.28Å; D187-L191 PolarHBondContact O-N 3Å; L188-L191 HydrophobicContact CD2-CD2 4.33Å; L188-L191 PolarHBondContact O-N 3.05Å; L191-S193 PolarHBondContact O-N 3.2Å; L191-T194 PolarHBondContact O-N 3.49Å; L191-T194 VanDerWaalsContact O-N 3.15Å; L191-T194 PolarHBondContact O-OG1 3.14Å; L191-F195 HydrophobicContact CG-CE1 4.13Å; L191-F195 WeakPolarHBondContact O-CD1 3.27Å; L191-F195 WeakPolarHBondContact O-CE1 3.23Å; L191-F289 HydrophobicContact CD1-CZ 4.49Å; L191-F289 HydrophobicContact CD2-CD2 4.13Å; L191-F289 HydrophobicContact CD2-CE2 3.99Å; L191-F289 HydrophobicContact CD2-CZ 4.42Å
192	F	94.1	Very high	92.1	Very high	3 Å²	3	27 Å²	27	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-34	179.4	-82.1	-117.2	0	0	0	112.9	L188 Q189 W190 T194 F195 L196 L219 I250 F252 C261 L263 I285	L188-F192 HydrophobicContact CB-CD2 4.44Å; L188-F192 HydrophobicContact CD2-CE2 4.17Å; L188-F192 VanDerWaalsContact O-CB 3.3Å; L188-F192 WeakPolarHBondContact O-CB 3.48Å; L188-F192 WeakPolarHBondContact O-CD2 3.22Å; L188-F192 PolarHBondContact O-N 3.22Å; Q189-F192 PolarHBondContact O-N 2.95Å; W190-F192 PolarHBondContact O-N 3.04Å; F192-T194 PolarHBondContact O-N 3.2Å; F192-F195 HydrophobicContact CB-CE1 4.41Å; F192-F195 HydrophobicContact CD1-CZ 4.02Å; F192-F195 HydrophobicContact CD2-CE1 4.04Å; F192-F195 HydrophobicContact CD2-CZ 4.12Å; F192-F195 HydrophobicContact CE1-CZ 4.13Å; F192-F195 HydrophobicContact CE2-CE1 4.46Å; F192-F195 HydrophobicContact CE2-CZ 4.26Å; F192-F195 HydrophobicContact CG-CE1 4.11Å; F192-F195 HydrophobicContact CG-CZ 4Å; F192-F195 HydrophobicContact CZ-CZ 4.25Å; F192-F195 PolarHBondContact O-N 3.32Å; F192-L196 HydrophobicContact CB-CD1 3.98Å; F192-L196 HydrophobicContact CB-CG 4.1Å; F192-L196 HydrophobicContact CD1-CD1 3.66Å; F192-L196 HydrophobicContact CD1-CD2 4.13Å; F192-L196 HydrophobicContact CD1-CG 3.89Å; F192-L196 HydrophobicContact CG-CD1 4.32Å; F192-L196 HydrophobicContact CG-CG 4.41Å; F192-L196 WeakPolarHBondContact O-CB 3.24Å; F192-L196 VanDerWaalsContact O-CG 3.28Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.1Å; F192-L219 HydrophobicContact CB-CD1 3.9Å; F192-I250 HydrophobicContact CE1-CG2 4.28Å; F192-F252 HydrophobicContact CE1-CE1 4.05Å; F192-F252 AromaticContact CE1-CZ 3.84Å; F192-F252 HydrophobicContact CE1-CZ 3.84Å; F192-F252 HydrophobicContact CE2-CE1 4.04Å; F192-F252 HydrophobicContact CE2-CZ 4.23Å; F192-F252 AromaticContact CZ-CE1 3.44Å; F192-F252 HydrophobicContact CZ-CE1 3.44Å; F192-F252 VanDerWaalsContact CZ-CE1 3.44Å; F192-F252 AromaticContact CZ-CZ 3.65Å; F192-F252 HydrophobicContact CZ-CZ 3.65Å; F192-C261 HydrophobicContact CE1-CB 4.39Å; F192-C261 WeakPolarHBondContact CE1-SG 3.27Å; F192-C261 HydrophobicContact CZ-CB 3.9Å; F192-C261 VanDerWaalsContact CZ-SG 3.55Å; F192-L263 HydrophobicContact CE1-CD2 4.39Å; F192-I285 HydrophobicContact CE2-CD1 4.11Å; F192-I285 HydrophobicContact CZ-CD1 4.12Å
193	S	92.1	Very high	91.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-21	174.2	74.3	0	0	0	0	112.6	Q189 W190 L191 K201 E215	Q189-S193 PolarHBondContact O-N 3.45Å; W190-S193 PolarHBondContact O-N 3.06Å; W190-S193 PolarHBondContact O-OG 2.95Å; L191-S193 PolarHBondContact O-N 3.2Å; S193-K201 WeakPolarHBondContact O-CE 3.29Å; S193-K201 PolarHBondContact O-NZ 3.13Å; S193-E215 WeakPolarHBondContact CB-O 3.22Å
194	T	91.4	Very high	90.1	Very high	4 Å²	4	28 Å²	28	3%	0.025	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.4	179.9	70.2	0	0	0	0	115.5	C148 D150 I151 W190 L191 F192	C148-T194 CarbonylContact C-O 3.59Å; C148-T194 WeakPolarHBondContact CA-O 3.39Å; C148-T194 WeakPolarHBondContact CB-OG1 3.49Å; C148-T194 PolarHBondContact SG-OG1 2.63Å; D150-T194 PolarHBondContact N-O 3.47Å; D150-T194 VanDerWaalsContact N-O 3.1Å; I151-T194 HydrophobicContact CB-CG2 4.26Å; I151-T194 HydrophobicContact CG1-CG2 4.14Å; W190-T194 HydrophobicContact CD2-CG2 4.49Å; W190-T194 HydrophobicContact CZ2-CG2 4.11Å; W190-T194 WeakPolarHBondContact O-CG2 3.12Å; W190-T194 PolarHBondContact O-N 2.9Å; L191-T194 PolarHBondContact O-N 3.49Å; L191-T194 VanDerWaalsContact O-N 3.15Å; L191-T194 PolarHBondContact O-OG1 3.14Å; F192-T194 PolarHBondContact O-N 3.2Å
195	F	91.9	Very high	88.7	Confident	14 Å²	14	37.7 Å²	37.7	6%	0.061	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.6	-19.6	-173.8	76.6	-97	0	0	0	115.5	L147 L191 F192 L263 Y283 F289	L147-F195 WeakPolarHBondContact O-CB 3.33Å; L191-F195 HydrophobicContact CG-CE1 4.13Å; L191-F195 WeakPolarHBondContact O-CD1 3.27Å; L191-F195 WeakPolarHBondContact O-CE1 3.23Å; F192-F195 HydrophobicContact CB-CE1 4.41Å; F192-F195 HydrophobicContact CD1-CZ 4.02Å; F192-F195 HydrophobicContact CD2-CE1 4.04Å; F192-F195 HydrophobicContact CD2-CZ 4.12Å; F192-F195 HydrophobicContact CE1-CZ 4.13Å; F192-F195 HydrophobicContact CE2-CE1 4.46Å; F192-F195 HydrophobicContact CE2-CZ 4.26Å; F192-F195 HydrophobicContact CG-CE1 4.11Å; F192-F195 HydrophobicContact CG-CZ 4Å; F192-F195 HydrophobicContact CZ-CZ 4.25Å; F192-F195 PolarHBondContact O-N 3.32Å; F195-L263 HydrophobicContact CE2-CD1 4.5Å; F195-Y283 HydrophobicContact CD2-CE1 4.41Å; F195-Y283 HydrophobicContact CE2-CE1 4.12Å; F195-Y283 HydrophobicContact CE2-CE2 4.02Å; F195-Y283 AromaticContact CE2-CZ 3.8Å; F195-F289 AromaticContact CD1-CZ 3.84Å; F195-F289 HydrophobicContact CD1-CZ 3.84Å; F195-F289 HydrophobicContact CE1-CE2 4.05Å; F195-F289 AromaticContact CE1-CZ 3.62Å; F195-F289 HydrophobicContact CE1-CZ 3.62Å; F195-F289 HydrophobicContact CG-CZ 4.47Å; F195-F289 HydrophobicContact CZ-CE2 4.28Å; F195-F289 HydrophobicContact CZ-CZ 4.06Å
196	L	93.1	Very high	87.3	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.19	C	C	.	.			trans	-63	149.9	173.2	-72.7	-169.9	0	0	0	109.8	F192 Y200 K201 L219 I250 L263	F192-L196 HydrophobicContact CB-CD1 3.98Å; F192-L196 HydrophobicContact CB-CG 4.1Å; F192-L196 HydrophobicContact CD1-CD1 3.66Å; F192-L196 HydrophobicContact CD1-CD2 4.13Å; F192-L196 HydrophobicContact CD1-CG 3.89Å; F192-L196 HydrophobicContact CG-CD1 4.32Å; F192-L196 HydrophobicContact CG-CG 4.41Å; F192-L196 WeakPolarHBondContact O-CB 3.24Å; F192-L196 VanDerWaalsContact O-CG 3.28Å; F192-L196 WeakPolarHBondContact O-CG 3.4Å; F192-L196 PolarHBondContact O-N 3.1Å; L196-Y200 HydrophobicContact CD2-CD2 4.36Å; L196-K201 HydrophobicContact CB-CD 4.47Å; L196-K201 HydrophobicContact CB-CG 4.08Å; L196-K201 WeakPolarHBondContact O-CD 3.4Å; L196-K201 WeakPolarHBondContact O-CE 3.38Å; L196-K201 PolarHBondContact O-NZ 3.04Å; L196-L219 HydrophobicContact CD1-CD2 3.84Å; L196-I250 HydrophobicContact CD1-CD1 3.98Å; L196-L263 HydrophobicContact CD2-CD1 3.31Å; L196-L263 HydrophobicContact CD2-CD2 3.92Å; L196-L263 HydrophobicContact CD2-CG 4.28Å
197	T	90	Very high	85.9	Confident	68 Å²	68	38.5 Å²	38.5	42%	0.417	20%	0.198	S	C	.	.			trans	-133.9	-175.2	175.7	52.8	0	0	0	0	109.1	Y200 K201	T197-Y200 PolarHBondContact O-N 3.36Å; T197-K201 PolarHBondContact O-N 3.36Å
198	Y	88.1	Confident	84.6	Confident	160 Å²	160	38 Å²	38	63%	0.627	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	135.7	166.8	177.4	-90.3	0	0	0	110.2	Y279	Y198-Y279 HydrophobicContact CD1-CE1 4.46Å; Y198-Y279 HydrophobicContact CD1-CE2 4.32Å; Y198-Y279 HydrophobicContact CE1-CE2 4.33Å; Y198-Y279 VanDerWaalsContact O-CD1 3.28Å; Y198-Y279 WeakPolarHBondContact O-CD1 3.42Å
199	P	92.6	Very high	82.9	Confident	7 Å²	7	44.2 Å²	44.2	5%	0.045	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97	10.3	8.9	40	-40.1	0	0	0	115.4	P248	P199-P248 HydrophobicContact CB-CB 4.18Å; P199-P248 HydrophobicContact CB-CG 3.61Å; P199-P248 HydrophobicContact CG-CB 3.66Å; P199-P248 HydrophobicContact CG-CG 3.54Å
200	Y	94.6	Very high	81.1	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-29.5	-173.5	-53.2	-76.9	0	0	0	113.5	L196 T197 H221 P248 M249 I250 L263 S264 D265 Y279 A356	L196-Y200 HydrophobicContact CD2-CD2 4.36Å; T197-Y200 PolarHBondContact O-N 3.36Å; Y200-H221 PolarHBondContact O-CE1 3.05Å; Y200-H221 PolarHBondContact O-NE2 3.22Å; Y200-H221 VanDerWaalsContact O-NE2 3.12Å; Y200-P248 HydrophobicContact CD1-CB 4.41Å; Y200-P248 HydrophobicContact CE1-CB 4.15Å; Y200-M249 WeakPolarHBondContact CE1-O 3.33Å; Y200-I250 HydrophobicContact CD1-CD1 4.41Å; Y200-I250 HydrophobicContact CD1-CG1 3.91Å; Y200-I250 HydrophobicContact CE1-CG1 4.45Å; Y200-L263 HydrophobicContact CD1-CD2 4.41Å; Y200-L263 HydrophobicContact CE1-CB 4.01Å; Y200-L263 HydrophobicContact CE1-CD2 4.33Å; Y200-L263 HydrophobicContact CE2-CB 3.99Å; Y200-L263 HydrophobicContact CE2-CD1 4.31Å; Y200-L263 WeakPolarHBondContact OH-CB 3.17Å; Y200-S264 WeakPolarHBondContact OH-CA 3.06Å; Y200-S264 PolarHBondContact OH-N 2.92Å; Y200-S264 VanDerWaalsContact OH-N 3.1Å; Y200-S264 PolarHBondContact OH-O 3.32Å; Y200-D265 PolarHBondContact OH-N 2.84Å; Y200-Y279 VanDerWaalsContact CE2-O 3.26Å; Y200-Y279 WeakPolarHBondContact CE2-O 3.33Å; Y200-Y279 PolarHBondContact OH-O 2.92Å; Y200-A356 HydrophobicContact CD1-CB 3.97Å
201	K	91.2	Very high	79.7	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	28%	0.278	C	S	.	.			trans	-91.2	145.4	173.7	-77.5	-174.1	178.4	166.6	0	111.6	D150 S193 L196 T197 E215 Q218 L219	D150-K201 IonicContact OD2-NZ 3.66Å; D150-K201 PolarHBondContact OD2-NZ 3.28Å; S193-K201 WeakPolarHBondContact O-CE 3.29Å; S193-K201 PolarHBondContact O-NZ 3.13Å; L196-K201 HydrophobicContact CB-CD 4.47Å; L196-K201 HydrophobicContact CB-CG 4.08Å; L196-K201 WeakPolarHBondContact O-CD 3.4Å; L196-K201 WeakPolarHBondContact O-CE 3.38Å; L196-K201 PolarHBondContact O-NZ 3.04Å; T197-K201 PolarHBondContact O-N 3.36Å; K201-E215 WeakPolarHBondContact CD-OE2 3.47Å; K201-E215 WeakPolarHBondContact CE-OE2 3.41Å; K201-E215 IonicContact NZ-OE2 3.5Å; K201-E215 PolarHBondContact NZ-OE2 3.31Å; K201-Q218 WeakPolarHBondContact CA-O 3.03Å; K201-Q218 HydrophobicContact CB-CB 3.95Å; K201-Q218 HydrophobicContact CD-CB 4.22Å; K201-Q218 HydrophobicContact CG-CB 4.03Å; K201-L219 HydrophobicContact CG-CD2 3.99Å
202	R	84.5	Confident	78.5	Confident	80 Å²	80	59.9 Å²	59.9	30%	0.302	31%	0.307	S	S	.	.			trans	-137.6	131.3	170.3	-62.9	177	-172.2	-85	-30.5	109.5	P204 Q218 H221 A356 G357	R202-P204 WeakPolarHBondContact O-CD 3.2Å; R202-Q218 PolarHBondContact N-O 2.97Å; R202-Q218 WeakPolarHBondContact O-CA 3.46Å; R202-Q218 WeakPolarHBondContact O-CB 3.37Å; R202-H221 WeakPolarHBondContact CD-CD2 3.37Å; R202-H221 PolarHBondContact NE-CD2 3.03Å; R202-H221 VanDerWaalsContact NE-CD2 3.35Å; R202-A356 PolarHBondContact NE-O 3.45Å; R202-A356 VanDerWaalsContact NE-O 3.08Å; R202-A356 PolarHBondContact NH2-O 3.29Å; R202-G357 VanDerWaalsContact CZ-O 3.31Å; R202-G357 PolarHBondContact NE-O 3.01Å; R202-G357 VanDerWaalsContact NE-O 3.16Å; R202-G357 PolarHBondContact NH2-O 2.85Å
203	A	75.3	Confident	77.6	Confident	70 Å²	70	61 Å²	61	58%	0.579	31%	0.314	S	S	*	.			trans	-54.4	108	167	0	0	0	0	0	110.5	P213	A203-P213 HydrophobicContact CB-CB 4.24Å; A203-P213 HydrophobicContact CB-CG 3.72Å
204	P	69.7	Low	77.3	Confident	35 Å²	35	60.9 Å²	60.9	23%	0.227	31%	0.314	C	S	.	.			trans	-73.5	176.1	167.3	33.8	-31.9	0	0	0	109	R202 T206 E217	R202-P204 WeakPolarHBondContact O-CD 3.2Å; P204-T206 PolarHBondContact O-N 3.03Å; P204-T206 VanDerWaalsContact O-N 3.13Å; P204-E217 HydrophobicContact CG-CB 3.45Å; P204-E217 VanDerWaalsContact CG-CB 3.45Å
205	K	65.3	Low	77.1	Confident	210 Å²	210	62 Å²	62	91%	0.913	32%	0.318	S	S	*	.			trans	-64.5	112.8	154.3	-68.4	-177.3	-179.5	179.9	0	106.1
206	T	65	Low	76.7	Confident	36 Å²	36	61.3 Å²	61.3	22%	0.221	32%	0.316	C	S	.	.			trans	-71.1	150.4	-176.5	178.9	0	0	0	0	111.6	P204 L208 P213 E217	P204-T206 PolarHBondContact O-N 3.03Å; P204-T206 VanDerWaalsContact O-N 3.13Å; T206-L208 WeakPolarHBondContact CG2-O 3.47Å; T206-L208 PolarHBondContact O-N 2.59Å; T206-L208 PolarHBondContact OG1-N 2.94Å; T206-P213 HydrophobicContact CG2-CG 4.49Å; T206-E217 VanDerWaalsContact CA-OE2 3.24Å; T206-E217 WeakPolarHBondContact CA-OE2 3.26Å; T206-E217 VanDerWaalsContact CB-OE2 3.27Å; T206-E217 WeakPolarHBondContact CB-OE2 3.28Å; T206-E217 PolarHBondContact OG1-OE2 2.91Å
207	C	62.2	Low	76.3	Confident	68 Å²	68	62 Å²	62	46%	0.459	32%	0.319	S	S	.	.	S	Bend	trans	-66.4	-24	170.4	66.2	0	0	0	0	112.6	F174 E217	F174-C207 HydrophobicContact CE2-CB 4.27Å; F174-C207 WeakPolarHBondContact CE2-SG 3.3Å; C207-E217 VanDerWaalsContact CB-OE1 3.29Å; C207-E217 WeakPolarHBondContact CB-OE1 3.49Å; C207-E217 PolarHBondContact N-OE1 3.38Å; C207-E217 PolarHBondContact SG-OE1 3.13Å
208	L	64.5	Low	76.3	Confident	5 Å²	5	60 Å²	60	3%	0.026	30%	0.304	C	S	.	.	S	Bend	trans	-90.4	115.2	-177.4	-65.9	-170.6	0	0	0	110.7	I158 Q161 F169 T206 Q210 T211 L214	I158-L208 HydrophobicContact CG1-CD1 3.97Å; Q161-L208 VanDerWaalsContact OE1-CD1 3.25Å; Q161-L208 VanDerWaalsContact OE1-CD2 3.23Å; Q161-L208 VanDerWaalsContact OE1-CG 3.29Å; F169-L208 HydrophobicContact CD1-CD2 4.3Å; F169-L208 HydrophobicContact CE1-CD2 4.23Å; F169-L208 HydrophobicContact CE2-CD2 4.39Å; F169-L208 HydrophobicContact CG-CD2 4.44Å; F169-L208 HydrophobicContact CZ-CD2 4.29Å; T206-L208 WeakPolarHBondContact CG2-O 3.47Å; T206-L208 PolarHBondContact O-N 2.59Å; T206-L208 PolarHBondContact OG1-N 2.94Å; L208-Q210 PolarHBondContact O-N 2.78Å; L208-T211 WeakPolarHBondContact CB-OG1 3.42Å; L208-T211 PolarHBondContact O-OG1 2.93Å; L208-L214 HydrophobicContact CD1-CD1 3.81Å; L208-L214 HydrophobicContact CD1-CD2 3.77Å; L208-L214 HydrophobicContact CD1-CG 3.9Å; L208-L214 HydrophobicContact CG-CD1 4.16Å; L208-L214 HydrophobicContact CG-CG 4.46Å
209	L	57.1	Low	76.4	Confident	139 Å²	139	52.6 Å²	52.6	73%	0.728	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	129.9	178.1	-69.3	169.1	0	0	0	110.6	T211	L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 2.95Å
210	Q	56.2	Low	76.2	Confident	177 Å²	177	55.1 Å²	55.1	83%	0.827	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	13.1	170.5	-51.8	179.4	-5.6	0	0	117	L208	L208-Q210 PolarHBondContact O-N 2.78Å
211	T	62.7	Low	76	Confident	45 Å²	45	57.6 Å²	57.6	28%	0.276	31%	0.305	S	S	.	.	S	Bend	trans	-109.6	166.4	176.9	62.1	0	0	0	0	112.7	L208 L209	L208-T211 WeakPolarHBondContact CB-OG1 3.42Å; L208-T211 PolarHBondContact O-OG1 2.93Å; L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 2.95Å
212	I	67.4	Low	76.1	Confident	116 Å²	116	57.4 Å²	57.4	60%	0.595	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-62	133.5	170.5	-60.7	169.5	0	0	0	107.4	L214	I212-L214 PolarHBondContact O-N 2.9Å
213	P	74.8	Confident	76.6	Confident	26 Å²	26	58.2 Å²	58.2	17%	0.169	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-56.5	131.4	-179	-24	32.7	0	0	0	112.3	A203 T206 E215 Q218	A203-P213 HydrophobicContact CB-CB 4.24Å; A203-P213 HydrophobicContact CB-CG 3.72Å; T206-P213 HydrophobicContact CG2-CG 4.49Å; P213-E215 PolarHBondContact O-N 2.85Å; P213-Q218 PolarHBondContact O-NE2 3.24Å
214	L	85.2	Confident	77.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-60.3	133.7	178.9	-61.2	176.9	0	0	0	110	D154 N157 I158 F174 L208 I212 C216 E217 Q218	D154-L214 HydrophobicContact CB-CD2 4.09Å; D154-L214 VanDerWaalsContact OD1-CA 3.26Å; D154-L214 WeakPolarHBondContact OD1-CA 3.49Å; N157-L214 HydrophobicContact CB-CD2 4Å; I158-L214 HydrophobicContact CD1-CD1 4.06Å; I158-L214 HydrophobicContact CD1-CD2 4.35Å; I158-L214 HydrophobicContact CG1-CD1 4.24Å; I158-L214 HydrophobicContact CG1-CD2 4.08Å; F174-L214 HydrophobicContact CE1-CD1 4.04Å; F174-L214 HydrophobicContact CZ-CD1 3.8Å; L208-L214 HydrophobicContact CD1-CD1 3.81Å; L208-L214 HydrophobicContact CD1-CD2 3.77Å; L208-L214 HydrophobicContact CD1-CG 3.9Å; L208-L214 HydrophobicContact CG-CD1 4.16Å; L208-L214 HydrophobicContact CG-CG 4.46Å; I212-L214 PolarHBondContact O-N 2.9Å; L214-C216 PolarHBondContact O-N 3.19Å; L214-E217 HydrophobicContact CB-CG 4.06Å; L214-E217 PolarHBondContact O-N 3.48Å; L214-Q218 WeakPolarHBondContact O-CG 3.36Å; L214-Q218 PolarHBondContact O-N 3.48Å
215	E	87.2	Confident	78.9	Confident	26 Å²	26	55.6 Å²	55.6	12%	0.121	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-51.4	-40.6	178.1	-60.2	-61.1	157.6	0	0	111.8	D150 N153 D154 S193 K201 P213 E217 Q218	D150-E215 HydrophobicContact CB-CG 4.14Å; N153-E215 HydrophobicContact CB-CG 4.1Å; D154-E215 WeakPolarHBondContact OD1-CB 3.35Å; D154-E215 WeakPolarHBondContact OD1-CG 3.45Å; D154-E215 PolarHBondContact OD1-N 2.79Å; D154-E215 PolarHBondContact OD2-N 3.04Å; S193-E215 WeakPolarHBondContact CB-O 3.22Å; K201-E215 WeakPolarHBondContact CD-OE2 3.47Å; K201-E215 WeakPolarHBondContact CE-OE2 3.41Å; K201-E215 IonicContact NZ-OE2 3.5Å; K201-E215 PolarHBondContact NZ-OE2 3.31Å; P213-E215 PolarHBondContact O-N 2.85Å; E215-E217 VanDerWaalsContact C-N 3.27Å; E215-E217 PolarHBondContact O-N 2.97Å; E215-Q218 WeakPolarHBondContact O-CB 3.19Å; E215-Q218 PolarHBondContact O-N 3.08Å; E215-Q218 VanDerWaalsContact O-N 3.14Å
216	C	84.4	Confident	80.4	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.5	-30.2	176.3	60.6	0	0	0	0	114.3	D154 P176 Y177 L214 Q218	D154-C216 VanDerWaalsContact OD2-CB 3.27Å; D154-C216 WeakPolarHBondContact OD2-CB 3.2Å; D154-C216 PolarHBondContact OD2-N 3.1Å; D154-C216 PolarHBondContact OD2-SG 2.91Å; P176-C216 HydrophobicContact CB-CB 4.02Å; P176-C216 HydrophobicContact CG-CB 3.84Å; Y177-C216 HydrophobicContact CE1-CB 3.8Å; Y177-C216 WeakPolarHBondContact OH-CB 3.04Å; L214-C216 PolarHBondContact O-N 3.19Å; C216-Q218 VanDerWaalsContact C-N 3.34Å
217	E	84.7	Confident	81.9	Confident	18 Å²	18	44.1 Å²	44.1	8%	0.084	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-81.3	-19	178.7	-56	179.2	125.1	0	0	111.9	F174 P176 P204 T206 C207 L214 E215 L219 S220	F174-E217 HydrophobicContact CE2-CG 3.96Å; F174-E217 WeakPolarHBondContact CE2-OE1 3.37Å; F174-E217 HydrophobicContact CZ-CG 3.62Å; P176-E217 HydrophobicContact CB-CG 4.39Å; P204-E217 HydrophobicContact CG-CB 3.45Å; P204-E217 VanDerWaalsContact CG-CB 3.45Å; T206-E217 VanDerWaalsContact CA-OE2 3.24Å; T206-E217 WeakPolarHBondContact CA-OE2 3.26Å; T206-E217 VanDerWaalsContact CB-OE2 3.27Å; T206-E217 WeakPolarHBondContact CB-OE2 3.28Å; T206-E217 PolarHBondContact OG1-OE2 2.91Å; C207-E217 VanDerWaalsContact CB-OE1 3.29Å; C207-E217 WeakPolarHBondContact CB-OE1 3.49Å; C207-E217 PolarHBondContact N-OE1 3.38Å; C207-E217 PolarHBondContact SG-OE1 3.13Å; L214-E217 HydrophobicContact CB-CG 4.06Å; L214-E217 PolarHBondContact O-N 3.48Å; E215-E217 VanDerWaalsContact C-N 3.27Å; E215-E217 PolarHBondContact O-N 2.97Å; E217-L219 PolarHBondContact O-N 3.43Å; E217-S220 WeakPolarHBondContact O-CB 3.49Å; E217-S220 PolarHBondContact O-N 2.96Å; E217-S220 VanDerWaalsContact O-N 3.09Å; E217-S220 PolarHBondContact O-OG 2.93Å
218	Q	89	Confident	83.5	Confident	24 Å²	24	41.3 Å²	41.3	11%	0.112	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-74.3	3.8	-170.6	-59.7	-174.6	25.9	0	0	115.2	K201 R202 P213 L214 E215 C216 H221	K201-Q218 WeakPolarHBondContact CA-O 3.03Å; K201-Q218 HydrophobicContact CB-CB 3.95Å; K201-Q218 HydrophobicContact CD-CB 4.22Å; K201-Q218 HydrophobicContact CG-CB 4.03Å; R202-Q218 PolarHBondContact N-O 2.97Å; R202-Q218 WeakPolarHBondContact O-CA 3.46Å; R202-Q218 WeakPolarHBondContact O-CB 3.37Å; P213-Q218 PolarHBondContact O-NE2 3.24Å; L214-Q218 WeakPolarHBondContact O-CG 3.36Å; L214-Q218 PolarHBondContact O-N 3.48Å; E215-Q218 WeakPolarHBondContact O-CB 3.19Å; E215-Q218 PolarHBondContact O-N 3.08Å; E215-Q218 VanDerWaalsContact O-N 3.14Å; C216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-H221 PolarHBondContact O-CE1 2.78Å; Q218-H221 PolarHBondContact O-ND1 2.83Å
219	L	91.7	Very high	85	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-106.4	-6.1	172.9	-57.7	-177.2	0	0	0	112.7	L179 Q189 F192 L196 K201 E217 H221 L222	L179-L219 WeakPolarHBondContact CD1-O 3.19Å; Q189-L219 WeakPolarHBondContact O-CD1 3.41Å; F192-L219 HydrophobicContact CB-CD1 3.9Å; L196-L219 HydrophobicContact CD1-CD2 3.84Å; K201-L219 HydrophobicContact CG-CD2 3.99Å; E217-L219 PolarHBondContact O-N 3.43Å; L219-H221 PolarHBondContact O-N 3.06Å; L219-L222 HydrophobicContact CB-CD1 4.09Å; L219-L222 HydrophobicContact CB-CG 4.41Å; L219-L222 HydrophobicContact CD2-CD1 4.31Å; L219-L222 WeakPolarHBondContact O-CB 3.21Å; L219-L222 WeakPolarHBondContact O-CG 3.15Å; L219-L222 PolarHBondContact O-N 2.98Å
220	S	88.4	Confident	86.8	Confident	59 Å²	59	44.4 Å²	44.4	41%	0.413	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.5	-175.8	56.2	0	0	0	0	114.8	E217	E217-S220 WeakPolarHBondContact O-CB 3.49Å; E217-S220 PolarHBondContact O-N 2.96Å; E217-S220 VanDerWaalsContact O-N 3.09Å; E217-S220 PolarHBondContact O-OG 2.93Å
221	H	89.7	Confident	88.6	Confident	53 Å²	53	39.3 Å²	39.3	25%	0.245	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.9	176.9	68.7	-80.1	0	0	0	114.2	Y200 R202 Q218 L219 H223 A356	Y200-H221 PolarHBondContact O-CE1 3.05Å; Y200-H221 PolarHBondContact O-NE2 3.22Å; Y200-H221 VanDerWaalsContact O-NE2 3.12Å; R202-H221 WeakPolarHBondContact CD-CD2 3.37Å; R202-H221 PolarHBondContact NE-CD2 3.03Å; R202-H221 VanDerWaalsContact NE-CD2 3.35Å; Q218-H221 PolarHBondContact O-CE1 2.78Å; Q218-H221 PolarHBondContact O-ND1 2.83Å; L219-H221 PolarHBondContact O-N 3.06Å; H221-H223 PolarHBondContact O-N 2.77Å; H221-A356 PolarHBondContact NE2-O 2.94Å
222	L	94.3	Very high	90.1	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.058	22%	0.217	C	C	.	.			trans	-62.7	138.2	-178.2	-64.9	-179	0	0	0	110.4	L179 L184 L219 I250 W354 A355 A356	L179-L222 HydrophobicContact CD1-CB 3.81Å; L179-L222 HydrophobicContact CD1-CD1 4.03Å; L179-L222 HydrophobicContact CD1-CG 4.34Å; L184-L222 HydrophobicContact CD2-CD1 4.5Å; L219-L222 HydrophobicContact CB-CD1 4.09Å; L219-L222 HydrophobicContact CB-CG 4.41Å; L219-L222 HydrophobicContact CD2-CD1 4.31Å; L219-L222 WeakPolarHBondContact O-CB 3.21Å; L219-L222 WeakPolarHBondContact O-CG 3.15Å; L219-L222 PolarHBondContact O-N 2.98Å; L222-I250 HydrophobicContact CD1-CD1 3.92Å; L222-I250 HydrophobicContact CD2-CD1 4.15Å; L222-W354 HydrophobicContact CB-CE3 3.87Å; L222-A355 WeakPolarHBondContact CA-O 3.44Å; L222-A355 WeakPolarHBondContact CD2-O 3.34Å; L222-A356 HydrophobicContact CD2-CB 3.38Å
223	H	94.4	Very high	91.3	Very high	96 Å²	96	36.9 Å²	36.9	44%	0.444	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.5	-179.7	-177.7	-77.3	0	0	0	110.9	H221 L225 W354 A355 M362	H221-H223 PolarHBondContact O-N 2.77Å; H223-L225 PolarHBondContact O-N 2.76Å; H223-W354 VanDerWaalsContact C-CE3 3.49Å; H223-W354 CarbonylContact O-C 3.55Å; H223-W354 WeakPolarHBondContact O-CA 3.27Å; H223-A355 HydrophobicContact CB-CB 4.33Å; H223-A355 PolarHBondContact N-O 3.48Å; H223-A355 VanDerWaalsContact N-O 3.09Å; H223-A355 PolarHBondContact O-N 3.29Å; H223-M362 HydrophobicContact CB-CE 4.06Å; H223-M362 HydrophobicContact CB-SD 4.33Å
224	C	96.3	Very high	92.2	Very high	37 Å²	37	38.1 Å²	38.1	25%	0.25	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	114.8	177.7	-173	0	0	0	0	109.9	W354	C224-W354 HydrophobicContact CB-CD2 4.07Å; C224-W354 HydrophobicContact CB-CE3 3.88Å; C224-W354 HydrophobicContact CB-CH2 3.75Å; C224-W354 HydrophobicContact CB-CZ2 3.93Å; C224-W354 HydrophobicContact CB-CZ3 3.73Å; C224-W354 VanDerWaalsContact N-CE3 3.25Å
225	L	96.3	Very high	92.6	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-34.2	175.4	-63.3	-178.8	0	0	0	111.6	H223 V242 Y245 M249 V353 A355 M362 L365	H223-L225 PolarHBondContact O-N 2.76Å; L225-V242 HydrophobicContact CB-CG2 4.14Å; L225-Y245 HydrophobicContact CD1-CD1 4.06Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CG 3.79Å; L225-M249 HydrophobicContact CD1-CE 4.46Å; L225-V353 PolarHBondContact N-O 3.45Å; L225-A355 HydrophobicContact CD1-CB 3.93Å; L225-A355 HydrophobicContact CD2-CB 4.06Å; L225-A355 HydrophobicContact CG-CB 3.86Å; L225-M362 HydrophobicContact CD2-CE 4.19Å; L225-M362 HydrophobicContact CD2-SD 4.4Å; L225-L365 HydrophobicContact CD2-CD2 3.72Å
226	Y	97	Very high	92.9	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.8	-177.3	-179.1	-87.5	0	0	0	110.6	H231 G232 R237 L238 L241 V242 I351 E352 V353	Y226-H231 HydrophobicContact CD2-CB 4.11Å; Y226-H231 HydrophobicContact CE2-CB 3.93Å; Y226-G232 PolarHBondContact OH-O 2.9Å; Y226-R237 HydrophobicContact CE2-CB 4.39Å; Y226-R237 HydrophobicContact CE2-CG 4.2Å; Y226-L238 HydrophobicContact CD1-CD1 3.7Å; Y226-L238 HydrophobicContact CD2-CB 4.33Å; Y226-L238 HydrophobicContact CD2-CD1 3.91Å; Y226-L238 HydrophobicContact CE1-CD1 3.96Å; Y226-L238 HydrophobicContact CE2-CB 3.95Å; Y226-L238 HydrophobicContact CE2-CD1 4.15Å; Y226-L238 HydrophobicContact CG-CD1 3.65Å; Y226-L241 HydrophobicContact CD2-CD1 3.97Å; Y226-V242 HydrophobicContact CG-CG2 4.48Å; Y226-I351 HydrophobicContact CD1-CB 4.48Å; Y226-I351 HydrophobicContact CD1-CG2 4.15Å; Y226-I351 HydrophobicContact CE1-CB 4.04Å; Y226-I351 HydrophobicContact CE1-CG2 4.08Å; Y226-E352 CarbonylContact O-C 3.56Å; Y226-E352 VanDerWaalsContact O-CA 3.3Å; Y226-E352 WeakPolarHBondContact O-CA 3.28Å; Y226-V353 PolarHBondContact N-O 2.88Å; Y226-V353 PolarHBondContact O-N 3.42Å
227	D	96.8	Very high	93.4	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	116.8	171.9	178	-17.7	0	0	0	106.9	T182 T229 N230 H231 E352	T182-D227 VanDerWaalsContact OG1-CG 3.3Å; T182-D227 PolarHBondContact OG1-OD1 3.27Å; T182-D227 VanDerWaalsContact OG1-OD1 3.13Å; T182-D227 PolarHBondContact OG1-OD2 2.87Å; D227-T229 PolarHBondContact O-N 3.21Å; D227-T229 VanDerWaalsContact OD1-CB 3.28Å; D227-T229 WeakPolarHBondContact OD1-CB 3.46Å; D227-T229 PolarHBondContact OD1-N 2.92Å; D227-T229 PolarHBondContact OD1-OG1 3.27Å; D227-N230 HydrophobicContact CB-CB 4.37Å; D227-N230 PolarHBondContact O-N 2.96Å; D227-N230 VanDerWaalsContact O-N 3.08Å; D227-N230 PolarHBondContact OD2-ND2 3.14Å; D227-N230 VanDerWaalsContact OD2-ND2 3.15Å; D227-H231 PolarHBondContact N-ND1 3.17Å; D227-H231 WeakPolarHBondContact O-CB 3.45Å; D227-H231 PolarHBondContact O-N 2.9Å; D227-H231 PolarHBondContact O-ND1 3.38Å; D227-E352 HydrophobicContact CB-CG 4.41Å
228	S	96.4	Very high	93.9	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-25.1	-178	54.8	0	0	0	0	114.4	G232 M233 A350 I351	S228-G232 WeakPolarHBondContact CA-O 3.25Å; S228-G232 CarbonylContact O-C 3.32Å; S228-G232 WeakPolarHBondContact O-CA 3.49Å; S228-G232 PolarHBondContact O-N 2.99Å; S228-M233 WeakPolarHBondContact CB-SD 3.3Å; S228-A350 VanDerWaalsContact OG-CA 3.27Å; S228-A350 WeakPolarHBondContact OG-CA 3.28Å; S228-I351 PolarHBondContact N-O 3.43Å; S228-I351 PolarHBondContact OG-N 2.85Å; S228-I351 PolarHBondContact OG-O 3.17Å
229	T	94.8	Very high	94.1	Very high	89 Å²	89	47.2 Å²	47.2	55%	0.546	26%	0.264	S	S	.	.	H	α-helix	trans	-69.1	-39.1	176.7	-52.6	0	0	0	0	110.6	T182 D227	T182-T229 VanDerWaalsContact CG2-OG1 3.26Å; T182-T229 WeakPolarHBondContact CG2-OG1 3.24Å; T182-T229 WeakPolarHBondContact OG1-CB 3.25Å; T182-T229 PolarHBondContact OG1-OG1 2.62Å; D227-T229 PolarHBondContact O-N 3.21Å; D227-T229 VanDerWaalsContact OD1-CB 3.28Å; D227-T229 WeakPolarHBondContact OD1-CB 3.46Å; D227-T229 PolarHBondContact OD1-N 2.92Å; D227-T229 PolarHBondContact OD1-OG1 3.27Å
230	N	94.9	Very high	94.2	Very high	121 Å²	121	51.5 Å²	51.5	65%	0.647	28%	0.284	S	S	*	.	H	α-helix	trans	-90.4	-30.4	-177.4	-65.7	-41	0	0	0	112.8	D227	D227-N230 HydrophobicContact CB-CB 4.37Å; D227-N230 PolarHBondContact O-N 2.96Å; D227-N230 VanDerWaalsContact O-N 3.08Å; D227-N230 PolarHBondContact OD2-ND2 3.14Å; D227-N230 VanDerWaalsContact OD2-ND2 3.15Å
231	H	95	Very high	94.5	Very high	69 Å²	69	50.2 Å²	50.2	32%	0.319	27%	0.272	S	S	.	.	H	α-helix	trans	-108.4	-5.1	-172.9	-56	99.3	0	0	0	113.8	Y226 D227 R237 L241	Y226-H231 HydrophobicContact CD2-CB 4.11Å; Y226-H231 HydrophobicContact CE2-CB 3.93Å; D227-H231 PolarHBondContact N-ND1 3.17Å; D227-H231 WeakPolarHBondContact O-CB 3.45Å; D227-H231 PolarHBondContact O-N 2.9Å; D227-H231 PolarHBondContact O-ND1 3.38Å; H231-R237 HydrophobicContact CB-CG 4.18Å; H231-L241 HydrophobicContact CB-CD1 4.46Å
232	G	93.9	Very high	94.8	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	26%	0.26	S	S	.	.			trans	79.1	172.2	-172.5	0	0	0	0	0	112.9	Y226 S228	Y226-G232 PolarHBondContact OH-O 2.9Å; S228-G232 WeakPolarHBondContact CA-O 3.25Å; S228-G232 CarbonylContact O-C 3.32Å; S228-G232 WeakPolarHBondContact O-CA 3.49Å; S228-G232 PolarHBondContact O-N 2.99Å
233	M	92.2	Very high	94.7	Very high	77 Å²	77	48.6 Å²	48.6	38%	0.379	26%	0.264	S	S	.	.	S	Bend	trans	-96.1	86.4	174.6	-73.2	-71.5	-64.5	0	0	109.8	S228 L348 I351	S228-M233 WeakPolarHBondContact CB-SD 3.3Å; M233-L348 HydrophobicContact CE-CB 3.89Å; M233-I351 HydrophobicContact CE-CD1 3.45Å; M233-I351 VanDerWaalsContact CE-CD1 3.45Å; M233-I351 HydrophobicContact CE-CG1 4.28Å; M233-I351 HydrophobicContact SD-CD1 3.62Å; M233-I351 HydrophobicContact SD-CG1 4.26Å
234	S	92.9	Very high	94.7	Very high	51 Å²	51	46.4 Å²	46.4	36%	0.357	26%	0.256	S	S	.	.			trans	-138.8	123.8	-180	174.7	0	0	0	0	111.1	T236 R237 L238	S234-T236 VanDerWaalsContact C-N 3.3Å; S234-T236 PolarHBondContact O-N 2.95Å; S234-T236 PolarHBondContact OG-N 3.26Å; S234-R237 PolarHBondContact O-N 3.13Å; S234-R237 PolarHBondContact OG-N 3.15Å; S234-L238 PolarHBondContact O-N 3.38Å
235	L	93.6	Very high	94.6	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-55.5	-46.5	172.8	177.4	72.2	0	0	0	111.2	R237 L238 L239 F308 E333 F335	L235-R237 VanDerWaalsContact C-N 3.26Å; L235-R237 PolarHBondContact O-N 3.09Å; L235-L238 WeakPolarHBondContact O-CB 3.27Å; L235-L238 PolarHBondContact O-N 3.36Å; L235-L238 VanDerWaalsContact O-N 3.13Å; L235-L239 HydrophobicContact CD1-CD1 4.31Å; L235-L239 HydrophobicContact CD1-CD2 4.37Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CD2-CD1 4.28Å; L235-L239 HydrophobicContact CG-CD1 3.91Å; L235-L239 HydrophobicContact CG-CG 4.1Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 3.44Å; L235-F308 HydrophobicContact CD1-CD1 3.74Å; L235-F308 HydrophobicContact CD1-CD2 4.45Å; L235-F308 HydrophobicContact CD1-CE1 3.83Å; L235-F308 HydrophobicContact CD1-CG 4.06Å; L235-F308 HydrophobicContact CD1-CZ 4.25Å; L235-F308 HydrophobicContact CD2-CB 4.15Å; L235-F308 HydrophobicContact CD2-CD1 4.1Å; L235-F308 HydrophobicContact CD2-CG 4.27Å; L235-E333 VanDerWaalsContact CD2-O 3.23Å; L235-E333 WeakPolarHBondContact CD2-O 3.25Å; L235-F335 HydrophobicContact CB-CB 4.46Å; L235-F335 HydrophobicContact CD1-CB 4.11Å; L235-F335 HydrophobicContact CD1-CD2 4.2Å
236	T	94.1	Very high	94.5	Very high	104 Å²	104	48.3 Å²	48.3	64%	0.638	26%	0.263	S	S	*	.	H	α-helix	trans	-56.2	-44.2	-179.9	-52.3	0	0	0	0	111.3	S234 L239 E240	S234-T236 VanDerWaalsContact C-N 3.3Å; S234-T236 PolarHBondContact O-N 2.95Å; S234-T236 PolarHBondContact OG-N 3.26Å; T236-L239 PolarHBondContact O-N 3.16Å; T236-E240 WeakPolarHBondContact O-CB 3.41Å; T236-E240 PolarHBondContact O-N 3.3Å
237	R	94	Very high	94.4	Very high	81 Å²	81	48.3 Å²	48.3	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-69.1	-38.5	179.2	-171.2	57.7	174.7	153.8	4.7	112.1	Y226 H231 S234 L235 E240 L241	Y226-R237 HydrophobicContact CE2-CB 4.39Å; Y226-R237 HydrophobicContact CE2-CG 4.2Å; H231-R237 HydrophobicContact CB-CG 4.18Å; S234-R237 PolarHBondContact O-N 3.13Å; S234-R237 PolarHBondContact OG-N 3.15Å; L235-R237 VanDerWaalsContact C-N 3.26Å; L235-R237 PolarHBondContact O-N 3.09Å; R237-E240 IonicContact CZ-OE2 2.85Å; R237-E240 IonicContact NH1-OE1 2.83Å; R237-E240 PolarHBondContact NH1-OE1 3.23Å; R237-E240 VanDerWaalsContact NH1-OE1 3.09Å; R237-E240 IonicContact NH1-OE2 3.66Å; R237-E240 PolarHBondContact NH1-OE2 3.35Å; R237-E240 PolarHBondContact O-N 3Å; R237-L241 HydrophobicContact CG-CD1 4.07Å; R237-L241 WeakPolarHBondContact O-CB 3.04Å; R237-L241 WeakPolarHBondContact O-CG 3.47Å; R237-L241 PolarHBondContact O-N 3.12Å
238	L	95	Very high	94.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-48.8	174.6	-179.8	68.6	0	0	0	111.2	Y226 S234 L235 E240 L241 V242 F335 V353	Y226-L238 HydrophobicContact CD1-CD1 3.7Å; Y226-L238 HydrophobicContact CD2-CB 4.33Å; Y226-L238 HydrophobicContact CD2-CD1 3.91Å; Y226-L238 HydrophobicContact CE1-CD1 3.96Å; Y226-L238 HydrophobicContact CE2-CB 3.95Å; Y226-L238 HydrophobicContact CE2-CD1 4.15Å; Y226-L238 HydrophobicContact CG-CD1 3.65Å; S234-L238 PolarHBondContact O-N 3.38Å; L235-L238 WeakPolarHBondContact O-CB 3.27Å; L235-L238 PolarHBondContact O-N 3.36Å; L235-L238 VanDerWaalsContact O-N 3.13Å; L238-E240 PolarHBondContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 3.06Å; L238-V242 HydrophobicContact CD1-CB 4.34Å; L238-V242 HydrophobicContact CD1-CG2 3.74Å; L238-V242 VanDerWaalsContact O-CB 3.25Å; L238-V242 WeakPolarHBondContact O-CB 3.44Å; L238-V242 PolarHBondContact O-N 3.03Å; L238-F335 HydrophobicContact CD2-CD1 3.84Å; L238-F335 HydrophobicContact CD2-CD2 3.85Å; L238-F335 HydrophobicContact CD2-CE1 3.75Å; L238-F335 HydrophobicContact CD2-CE2 3.75Å; L238-F335 HydrophobicContact CD2-CG 3.89Å; L238-F335 HydrophobicContact CD2-CZ 3.69Å; L238-V353 HydrophobicContact CD1-CG2 4.11Å
239	L	94.4	Very high	94.5	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-49.1	176.8	-68.1	176.3	0	0	0	110.6	L235 T236 L241 F243 F308	L235-L239 HydrophobicContact CD1-CD1 4.31Å; L235-L239 HydrophobicContact CD1-CD2 4.37Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CD2-CD1 4.28Å; L235-L239 HydrophobicContact CG-CD1 3.91Å; L235-L239 HydrophobicContact CG-CG 4.1Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 3.44Å; T236-L239 PolarHBondContact O-N 3.16Å; L239-L241 VanDerWaalsContact C-N 3.33Å; L239-L241 PolarHBondContact O-N 2.77Å; L239-F243 HydrophobicContact CD2-CD1 3.44Å; L239-F243 VanDerWaalsContact CD2-CD1 3.44Å; L239-F243 HydrophobicContact CD2-CD2 3.68Å; L239-F243 HydrophobicContact CD2-CE1 3.4Å; L239-F243 HydrophobicContact CD2-CE2 3.64Å; L239-F243 HydrophobicContact CD2-CG 3.6Å; L239-F243 HydrophobicContact CD2-CZ 3.51Å; L239-F243 WeakPolarHBondContact O-CB 3.29Å; L239-F243 PolarHBondContact O-N 2.76Å; L239-F243 VanDerWaalsContact O-N 3.08Å; L239-F308 HydrophobicContact CD2-CD2 4.19Å
240	E	93	Very high	94.6	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-38.8	-179.7	-172.2	-163.6	166.9	0	0	113.1	T236 R237 L238 K369	T236-E240 WeakPolarHBondContact O-CB 3.41Å; T236-E240 PolarHBondContact O-N 3.3Å; R237-E240 IonicContact CZ-OE2 2.85Å; R237-E240 IonicContact NH1-OE1 2.83Å; R237-E240 PolarHBondContact NH1-OE1 3.23Å; R237-E240 VanDerWaalsContact NH1-OE1 3.09Å; R237-E240 IonicContact NH1-OE2 3.66Å; R237-E240 PolarHBondContact NH1-OE2 3.35Å; R237-E240 PolarHBondContact O-N 3Å; L238-E240 PolarHBondContact O-N 3.08Å; E240-K369 WeakPolarHBondContact O-CE 3.39Å; E240-K369 PolarHBondContact O-NZ 3.43Å
241	L	94.7	Very high	94.8	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-89	-26.7	-175	-71.1	179.3	0	0	0	113.8	Y226 H231 R237 L238 L239	Y226-L241 HydrophobicContact CD2-CD1 3.97Å; H231-L241 HydrophobicContact CB-CD1 4.46Å; R237-L241 HydrophobicContact CG-CD1 4.07Å; R237-L241 WeakPolarHBondContact O-CB 3.04Å; R237-L241 WeakPolarHBondContact O-CG 3.47Å; R237-L241 PolarHBondContact O-N 3.12Å; L238-L241 PolarHBondContact O-N 3.06Å; L239-L241 VanDerWaalsContact C-N 3.33Å; L239-L241 PolarHBondContact O-N 2.77Å
242	V	95.7	Very high	94.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-114.3	-38	-166.6	178.7	0	0	0	0	113.4	L225 Y226 L238 D244 Y245 M249 L268 V353	L225-V242 HydrophobicContact CB-CG2 4.14Å; Y226-V242 HydrophobicContact CG-CG2 4.48Å; L238-V242 HydrophobicContact CD1-CB 4.34Å; L238-V242 HydrophobicContact CD1-CG2 3.74Å; L238-V242 VanDerWaalsContact O-CB 3.25Å; L238-V242 WeakPolarHBondContact O-CB 3.44Å; L238-V242 PolarHBondContact O-N 3.03Å; V242-D244 VanDerWaalsContact C-N 3.28Å; V242-D244 PolarHBondContact O-N 3.09Å; V242-Y245 VanDerWaalsContact O-CB 3.31Å; V242-Y245 WeakPolarHBondContact O-CB 3.49Å; V242-Y245 PolarHBondContact O-N 2.62Å; V242-Y245 VanDerWaalsContact O-N 3.1Å; V242-M249 HydrophobicContact CG1-CE 3.56Å; V242-M249 HydrophobicContact CG1-SD 4.21Å; V242-L268 HydrophobicContact CG1-CB 4.5Å; V242-L268 HydrophobicContact CG1-CD1 4.45Å; V242-V353 HydrophobicContact CG1-CG1 3.79Å; V242-V353 HydrophobicContact CG2-CB 4.09Å; V242-V353 HydrophobicContact CG2-CG1 4.12Å; V242-V353 HydrophobicContact CG2-CG2 4.23Å
243	F	94.1	Very high	95.1	Very high	31 Å²	31	33.7 Å²	33.7	14%	0.136	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.2	-163.5	-83.6	-129.4	0	0	0	114.3	L239 L268 E270 F308	L239-F243 HydrophobicContact CD2-CD1 3.44Å; L239-F243 VanDerWaalsContact CD2-CD1 3.44Å; L239-F243 HydrophobicContact CD2-CD2 3.68Å; L239-F243 HydrophobicContact CD2-CE1 3.4Å; L239-F243 HydrophobicContact CD2-CE2 3.64Å; L239-F243 HydrophobicContact CD2-CG 3.6Å; L239-F243 HydrophobicContact CD2-CZ 3.51Å; L239-F243 WeakPolarHBondContact O-CB 3.29Å; L239-F243 PolarHBondContact O-N 2.76Å; L239-F243 VanDerWaalsContact O-N 3.08Å; F243-L268 WeakPolarHBondContact CA-O 3.11Å; F243-L268 HydrophobicContact CD2-CB 4.24Å; F243-L268 HydrophobicContact CE2-CB 3.89Å; F243-L268 HydrophobicContact CE2-CD1 4.25Å; F243-L268 HydrophobicContact CZ-CB 4.05Å; F243-E270 HydrophobicContact CD1-CG 4.2Å; F243-E270 HydrophobicContact CE1-CG 4.02Å; F243-F308 HydrophobicContact CE1-CD2 4.21Å; F243-F308 AromaticContact CE1-CE2 3.88Å; F243-F308 HydrophobicContact CE1-CE2 3.88Å; F243-F308 HydrophobicContact CZ-CD2 4.32Å; F243-F308 AromaticContact CZ-CE2 3.64Å; F243-F308 HydrophobicContact CZ-CE2 3.64Å; F243-F308 HydrophobicContact CZ-CZ 4.46Å
244	D	92.4	Very high	95.4	Very high	50 Å²	50	32.3 Å²	32.3	27%	0.267	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-14.8	172.9	-66.2	-48.8	0	0	0	112.9	V242 N246 L365 Q368 K369	V242-D244 VanDerWaalsContact C-N 3.28Å; V242-D244 PolarHBondContact O-N 3.09Å; D244-N246 PolarHBondContact O-N 3.19Å; D244-L365 HydrophobicContact CB-CD1 3.77Å; D244-Q368 PolarHBondContact OD1-NE2 2.98Å; D244-K369 WeakPolarHBondContact OD2-CE 3.49Å; D244-K369 IonicContact OD2-NZ 2.82Å; D244-K369 PolarHBondContact OD2-NZ 3.04Å
245	Y	96	Very high	95.5	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.012	15%	0.151	C	C	.	.			trans	-72.6	126.4	175.9	-176.8	-103.6	0	0	0	110	L225 V242 G247 P248 M249 G267 A355 G357 H361 M362 L365	L225-Y245 HydrophobicContact CD1-CD1 4.06Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CG 3.79Å; V242-Y245 VanDerWaalsContact O-CB 3.31Å; V242-Y245 WeakPolarHBondContact O-CB 3.49Å; V242-Y245 PolarHBondContact O-N 2.62Å; V242-Y245 VanDerWaalsContact O-N 3.1Å; Y245-G247 WeakPolarHBondContact CD1-O 3.4Å; Y245-G247 VanDerWaalsContact CE1-CA 3.42Å; Y245-G247 WeakPolarHBondContact CE1-O 3.39Å; Y245-P248 WeakPolarHBondContact CE1-O 3.48Å; Y245-M249 HydrophobicContact CD1-CE 3.72Å; Y245-M249 HydrophobicContact CE1-CB 4.46Å; Y245-G267 VanDerWaalsContact O-CA 3.27Å; Y245-G267 WeakPolarHBondContact O-CA 3.05Å; Y245-A355 HydrophobicContact CD2-CB 4.37Å; Y245-A355 HydrophobicContact CE1-CB 3.9Å; Y245-A355 HydrophobicContact CE2-CB 3.73Å; Y245-A355 VanDerWaalsContact CZ-CB 3.44Å; Y245-A355 WeakPolarHBondContact OH-CB 3.39Å; Y245-G357 WeakPolarHBondContact OH-CA 3.47Å; Y245-G357 PolarHBondContact OH-N 2.88Å; Y245-H361 HydrophobicContact CE2-CB 3.7Å; Y245-M362 HydrophobicContact CD2-SD 4.26Å; Y245-M362 HydrophobicContact CE2-SD 3.68Å; Y245-L365 HydrophobicContact CD2-CB 4.44Å; Y245-L365 HydrophobicContact CD2-CD2 4Å
246	N	93.9	Very high	95.5	Very high	87 Å²	87	34.6 Å²	34.6	47%	0.465	17%	0.17	S	C	.	.			trans	-110.4	11.8	-174.1	64.8	0.9	0	0	0	114.3	D244 H361	D244-N246 PolarHBondContact O-N 3.19Å; N246-H361 PolarHBondContact OD1-ND1 3.47Å
247	G	95.1	Very high	95.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-100.9	177.5	177.6	0	0	0	0	0	113.6	Y245 Q266 G267 H361	Y245-G247 WeakPolarHBondContact CD1-O 3.4Å; Y245-G247 VanDerWaalsContact CE1-CA 3.42Å; Y245-G247 WeakPolarHBondContact CE1-O 3.39Å; G247-Q266 CarbonylContact O-C 3.54Å; G247-G267 WeakPolarHBondContact O-CA 3.4Å; G247-G267 PolarHBondContact O-N 2.8Å; G247-H361 WeakPolarHBondContact CA-ND1 3.29Å; G247-H361 PolarHBondContact N-ND1 3.5Å
248	P	96.9	Very high	95.5	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.078	16%	0.155	C	C	.	.			trans	-59.1	144.4	171.6	-15.3	22.5	0	0	0	112.6	P199 Y200 Y245 S264 A356 G357	P199-P248 HydrophobicContact CB-CB 4.18Å; P199-P248 HydrophobicContact CB-CG 3.61Å; P199-P248 HydrophobicContact CG-CB 3.66Å; P199-P248 HydrophobicContact CG-CG 3.54Å; Y200-P248 HydrophobicContact CD1-CB 4.41Å; Y200-P248 HydrophobicContact CE1-CB 4.15Å; Y245-P248 WeakPolarHBondContact CE1-O 3.48Å; P248-S264 CarbonylContact C-O 3.57Å; P248-S264 WeakPolarHBondContact CA-O 3.45Å; P248-A356 HydrophobicContact CB-CB 4.45Å; P248-A356 WeakPolarHBondContact O-CA 3.44Å; P248-A356 PolarHBondContact O-N 2.84Å; P248-G357 PolarHBondContact O-N 3.32Å
249	M	97.4	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.4	-177.5	61.8	168	47.9	0	0	114	Y200 L225 V242 Y245 V251 S264 L268 V353 W354	Y200-M249 WeakPolarHBondContact CE1-O 3.33Å; L225-M249 HydrophobicContact CD1-CE 4.46Å; V242-M249 HydrophobicContact CG1-CE 3.56Å; V242-M249 HydrophobicContact CG1-SD 4.21Å; Y245-M249 HydrophobicContact CD1-CE 3.72Å; Y245-M249 HydrophobicContact CE1-CB 4.46Å; M249-V251 HydrophobicContact CG-CG2 4.41Å; M249-V251 HydrophobicContact SD-CG2 3.94Å; M249-S264 PolarHBondContact N-O 2.8Å; M249-S264 PolarHBondContact O-N 3.2Å; M249-L268 HydrophobicContact SD-CB 3.99Å; M249-L268 HydrophobicContact SD-CD1 4.06Å; M249-L268 HydrophobicContact SD-CG 3.53Å; M249-L268 VanDerWaalsContact SD-CG 3.53Å; M249-L268 PolarHBondContact SD-N 2.87Å; M249-V353 HydrophobicContact CE-CG1 4.24Å; M249-V353 HydrophobicContact SD-CG1 4.14Å; M249-W354 CarbonylContact C-O 3.6Å; M249-W354 WeakPolarHBondContact CA-O 3.29Å; M249-W354 VanDerWaalsContact CB-O 3.31Å; M249-W354 WeakPolarHBondContact CB-O 3.38Å
250	I	97.9	Very high	95.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.5	177.5	-53.9	180	0	0	0	107.6	F192 L196 Y200 L222 F252 C261 L263 V353 W354	F192-I250 HydrophobicContact CE1-CG2 4.28Å; L196-I250 HydrophobicContact CD1-CD1 3.98Å; Y200-I250 HydrophobicContact CD1-CD1 4.41Å; Y200-I250 HydrophobicContact CD1-CG1 3.91Å; Y200-I250 HydrophobicContact CE1-CG1 4.45Å; L222-I250 HydrophobicContact CD1-CD1 3.92Å; L222-I250 HydrophobicContact CD2-CD1 4.15Å; I250-F252 HydrophobicContact CG2-CD2 4.21Å; I250-F252 HydrophobicContact CG2-CE2 3.58Å; I250-F252 HydrophobicContact CG2-CZ 3.75Å; I250-C261 VanDerWaalsContact CG2-SG 3.55Å; I250-L263 HydrophobicContact CB-CD2 4.21Å; I250-L263 HydrophobicContact CD1-CD2 4.29Å; I250-L263 HydrophobicContact CG1-CD2 3.76Å; I250-L263 HydrophobicContact CG2-CD2 3.89Å; I250-V353 CarbonylContact O-C 3.57Å; I250-V353 WeakPolarHBondContact O-CA 2.98Å; I250-W354 HydrophobicContact CB-CB 4.27Å; I250-W354 PolarHBondContact N-O 2.98Å; I250-W354 PolarHBondContact O-N 3.35Å
251	V	98	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.4	-178.6	178.6	0	0	0	0	109	M249 L253 C261 L262 L268 E352 V353	M249-V251 HydrophobicContact CG-CG2 4.41Å; M249-V251 HydrophobicContact SD-CG2 3.94Å; V251-L253 HydrophobicContact CG1-CD2 4.08Å; V251-L253 HydrophobicContact CG1-CG 4.24Å; V251-C261 CarbonylContact O-C 3.59Å; V251-C261 WeakPolarHBondContact O-CA 3.34Å; V251-L262 HydrophobicContact CB-CB 4.16Å; V251-L262 PolarHBondContact N-O 2.81Å; V251-L262 PolarHBondContact O-N 2.81Å; V251-L268 HydrophobicContact CG2-CD1 4.04Å; V251-E352 CarbonylContact C-O 3.57Å; V251-E352 WeakPolarHBondContact CA-O 3.03Å; V251-V353 HydrophobicContact CG1-CG2 4.21Å; V251-V353 HydrophobicContact CG2-CG1 4.01Å; V251-V353 HydrophobicContact CG2-CG2 4.19Å
252	F	98.2	Very high	96.2	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.1	172.7	-66.6	-76.5	0	0	0	111.1	I183 L184 F192 I250 L259 F260 C261 I351 E352 W354	I183-F252 HydrophobicContact CB-CB 4.31Å; I183-F252 HydrophobicContact CD1-CB 3.82Å; I183-F252 HydrophobicContact CG2-CB 3.89Å; I183-F252 HydrophobicContact CG2-CD1 4.06Å; I183-F252 HydrophobicContact CG2-CG 3.94Å; L184-F252 HydrophobicContact CB-CE2 4.17Å; L184-F252 HydrophobicContact CD1-CE2 3.96Å; L184-F252 HydrophobicContact CD1-CZ 3.8Å; L184-F252 HydrophobicContact CG-CE2 4.47Å; F192-F252 HydrophobicContact CE1-CE1 4.05Å; F192-F252 AromaticContact CE1-CZ 3.84Å; F192-F252 HydrophobicContact CE1-CZ 3.84Å; F192-F252 HydrophobicContact CE2-CE1 4.04Å; F192-F252 HydrophobicContact CE2-CZ 4.23Å; F192-F252 AromaticContact CZ-CE1 3.44Å; F192-F252 HydrophobicContact CZ-CE1 3.44Å; F192-F252 VanDerWaalsContact CZ-CE1 3.44Å; F192-F252 AromaticContact CZ-CZ 3.65Å; F192-F252 HydrophobicContact CZ-CZ 3.65Å; I250-F252 HydrophobicContact CG2-CD2 4.21Å; I250-F252 HydrophobicContact CG2-CE2 3.58Å; I250-F252 HydrophobicContact CG2-CZ 3.75Å; F252-L259 HydrophobicContact CB-CD1 4.47Å; F252-L259 HydrophobicContact CD1-CD1 4.29Å; F252-F260 WeakPolarHBondContact CA-O 3.35Å; F252-C261 HydrophobicContact CD1-CB 3.98Å; F252-C261 HydrophobicContact CE1-CB 3.89Å; F252-I351 WeakPolarHBondContact O-CA 3.26Å; F252-E352 HydrophobicContact CB-CB 4.15Å; F252-E352 HydrophobicContact CD2-CB 4.32Å; F252-E352 PolarHBondContact N-O 3.5Å; F252-E352 PolarHBondContact O-N 2.82Å; F252-E352 VanDerWaalsContact O-N 3.14Å; F252-W354 AromaticContact CE2-CD1 3.93Å
253	L	97.8	Very high	96.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.7	178.9	-57	166.9	0	0	0	108.6	V251 F260 I331 F335 L338 L348 I351	V251-L253 HydrophobicContact CG1-CD2 4.08Å; V251-L253 HydrophobicContact CG1-CG 4.24Å; L253-F260 HydrophobicContact CB-CB 4.32Å; L253-F260 PolarHBondContact N-O 2.81Å; L253-F260 PolarHBondContact O-N 3.42Å; L253-I331 HydrophobicContact CD1-CD1 3.69Å; L253-I331 HydrophobicContact CD2-CD1 3.7Å; L253-I331 HydrophobicContact CG-CD1 4.33Å; L253-F335 HydrophobicContact CD2-CE1 4.1Å; L253-F335 HydrophobicContact CD2-CZ 4.32Å; L253-L338 HydrophobicContact CB-CD1 4.27Å; L253-L338 HydrophobicContact CD1-CD1 4.19Å; L253-L348 HydrophobicContact CB-CD2 4.24Å; L253-L348 HydrophobicContact CD2-CD2 4.42Å; L253-I351 HydrophobicContact CD2-CG1 4.18Å; L253-I351 HydrophobicContact CD2-CG2 4.28Å
254	K	97.3	Very high	96.4	Very high	47 Å²	47	23.2 Å²	23.2	20%	0.204	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.3	176.4	-171.8	74.3	-173.9	160.7	0	109.7	I183 K256 E257 F258 L259 N349 A350	I183-K254 HydrophobicContact CD1-CB 4.14Å; K254-K256 WeakPolarHBondContact CE-O 3.32Å; K254-K256 PolarHBondContact NZ-O 3.49Å; K254-E257 PolarHBondContact NZ-O 3.2Å; K254-F258 WeakPolarHBondContact CD-O 3.46Å; K254-L259 HydrophobicContact CB-CD1 4.41Å; K254-L259 HydrophobicContact CD-CB 4.06Å; K254-L259 HydrophobicContact CD-CD1 4.17Å; K254-N349 HydrophobicContact CG-CB 4.49Å; K254-N349 PolarHBondContact O-N 3.45Å; K254-A350 HydrophobicContact CB-CB 4.09Å; K254-A350 PolarHBondContact N-O 3.01Å; K254-A350 PolarHBondContact O-N 3.06Å
255	A	96.5	Very high	96.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	108.4	177.5	0	0	0	0	0	109.6	E257 F258 I346 L348	A255-E257 PolarHBondContact O-N 3.16Å; A255-F258 PolarHBondContact N-O 2.99Å; A255-F258 WeakPolarHBondContact O-CB 3.2Å; A255-F258 PolarHBondContact O-N 2.95Å; A255-I346 HydrophobicContact CB-CB 4.25Å; A255-I346 HydrophobicContact CB-CG2 3.77Å; A255-L348 HydrophobicContact CB-CD2 4.31Å
256	K	93.8	Very high	96.4	Very high	134 Å²	134	25.1 Å²	25.1	58%	0.583	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	-123.1	-168.5	-60.6	178.2	177.6	177.2	0	111.9	K254 F258 I346 N349	K254-K256 WeakPolarHBondContact CE-O 3.32Å; K254-K256 PolarHBondContact NZ-O 3.49Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-I346 HydrophobicContact CB-CG2 4.16Å; K256-I346 HydrophobicContact CD-CG2 3.66Å; K256-I346 HydrophobicContact CG-CG2 3.55Å; K256-N349 PolarHBondContact N-OD1 3.24Å
257	E	92.8	Very high	96.5	Very high	105 Å²	105	21.2 Å²	21.2	49%	0.491	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-21.2	176.9	67.6	-82.6	-166.7	0	0	113.3	K254 A255 Q286	K254-E257 PolarHBondContact NZ-O 3.2Å; A255-E257 PolarHBondContact O-N 3.16Å; E257-Q286 WeakPolarHBondContact O-CB 3.21Å
258	F	95.6	Very high	96.5	Very high	33 Å²	33	21.3 Å²	21.3	15%	0.145	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.8	-176.2	-61	-83.6	0	0	0	112	K254 A255 K256 F260 Q286 P287 Y340 I346	K254-F258 WeakPolarHBondContact CD-O 3.46Å; A255-F258 PolarHBondContact N-O 2.99Å; A255-F258 WeakPolarHBondContact O-CB 3.2Å; A255-F258 PolarHBondContact O-N 2.95Å; K256-F258 VanDerWaalsContact C-N 3.3Å; F258-F260 HydrophobicContact CB-CD2 4.22Å; F258-F260 HydrophobicContact CB-CE2 3.52Å; F258-F260 HydrophobicContact CB-CZ 3.89Å; F258-F260 HydrophobicContact CD1-CE2 4.44Å; F258-F260 AromaticContact CD1-CZ 3.95Å; F258-F260 HydrophobicContact CD1-CZ 3.95Å; F258-F260 HydrophobicContact CG-CE2 4.13Å; F258-F260 HydrophobicContact CG-CZ 4.09Å; F258-Q286 WeakPolarHBondContact CA-O 3.32Å; F258-P287 HydrophobicContact CE1-CG 4.38Å; F258-Y340 HydrophobicContact CE1-CD1 4.36Å; F258-Y340 HydrophobicContact CE1-CE1 4.4Å; F258-I346 HydrophobicContact CD2-CD1 3.91Å; F258-I346 HydrophobicContact CE2-CD1 3.94Å
259	L	97	Very high	96.4	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.9	166.6	175.2	59.8	0	0	0	107.6	I183 L188 F252 K254 I285 Q286	I183-L259 HydrophobicContact CG2-CD1 3.65Å; I183-L259 HydrophobicContact CG2-CD2 4.16Å; L188-L259 HydrophobicContact CD1-CD2 4.07Å; F252-L259 HydrophobicContact CB-CD1 4.47Å; F252-L259 HydrophobicContact CD1-CD1 4.29Å; K254-L259 HydrophobicContact CB-CD1 4.41Å; K254-L259 HydrophobicContact CD-CB 4.06Å; K254-L259 HydrophobicContact CD-CD1 4.17Å; L259-I285 HydrophobicContact CB-CB 4.27Å; L259-I285 HydrophobicContact CD2-CB 4.02Å; L259-I285 HydrophobicContact CD2-CG1 4.48Å; L259-I285 HydrophobicContact CD2-CG2 4.06Å; L259-I285 HydrophobicContact CG-CB 4Å; L259-I285 HydrophobicContact CG-CG1 4.32Å; L259-I285 PolarHBondContact O-N 3.39Å; L259-Q286 HydrophobicContact CB-CB 3.92Å; L259-Q286 HydrophobicContact CB-CG 4.17Å; L259-Q286 PolarHBondContact N-O 3.46Å; L259-Q286 PolarHBondContact O-N 2.74Å
260	F	97.9	Very high	96.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.3	173.8	-57.2	-80.1	0	0	0	110.5	F252 L253 F258 L282 Y283 Q284 L292 I329 L338 Y340	F252-F260 WeakPolarHBondContact CA-O 3.35Å; L253-F260 HydrophobicContact CB-CB 4.32Å; L253-F260 PolarHBondContact N-O 2.81Å; L253-F260 PolarHBondContact O-N 3.42Å; F258-F260 HydrophobicContact CB-CD2 4.22Å; F258-F260 HydrophobicContact CB-CE2 3.52Å; F258-F260 HydrophobicContact CB-CZ 3.89Å; F258-F260 HydrophobicContact CD1-CE2 4.44Å; F258-F260 AromaticContact CD1-CZ 3.95Å; F258-F260 HydrophobicContact CD1-CZ 3.95Å; F258-F260 HydrophobicContact CG-CE2 4.13Å; F258-F260 HydrophobicContact CG-CZ 4.09Å; F260-L282 HydrophobicContact CB-CD1 4.42Å; F260-Y283 CarbonylContact C-O 3.19Å; F260-Y283 VanDerWaalsContact CA-O 3.29Å; F260-Y283 WeakPolarHBondContact CA-O 3.48Å; F260-Q284 HydrophobicContact CD1-CB 3.99Å; F260-Q284 HydrophobicContact CD1-CG 4Å; F260-Q284 HydrophobicContact CE1-CB 3.99Å; F260-Q284 HydrophobicContact CE1-CG 3.7Å; F260-L292 HydrophobicContact CD1-CD1 4.04Å; F260-L292 HydrophobicContact CE1-CD1 3.91Å; F260-I329 HydrophobicContact CB-CD1 3.82Å; F260-I329 HydrophobicContact CD1-CD1 3.59Å; F260-I329 HydrophobicContact CD2-CD1 3.84Å; F260-I329 HydrophobicContact CE1-CD1 4.04Å; F260-I329 HydrophobicContact CE2-CD1 4.26Å; F260-I329 HydrophobicContact CG-CD1 3.46Å; F260-I329 VanDerWaalsContact CG-CD1 3.46Å; F260-I329 HydrophobicContact CZ-CD1 4.36Å; F260-L338 HydrophobicContact CD2-CD1 4.01Å; F260-L338 HydrophobicContact CD2-CD2 4.42Å; F260-L338 HydrophobicContact CE2-CD1 4.24Å; F260-L338 HydrophobicContact CE2-CD2 3.82Å; F260-Y340 HydrophobicContact CE1-CD2 4.03Å; F260-Y340 HydrophobicContact CE1-CE2 4.08Å; F260-Y340 HydrophobicContact CE1-CG 4.35Å; F260-Y340 HydrophobicContact CZ-CD1 4.12Å; F260-Y340 AromaticContact CZ-CD2 3.92Å; F260-Y340 HydrophobicContact CZ-CD2 3.92Å; F260-Y340 HydrophobicContact CZ-CE1 4.5Å; F260-Y340 HydrophobicContact CZ-CE2 4.36Å; F260-Y340 AromaticContact CZ-CG 3.81Å; F260-Y340 HydrophobicContact CZ-CG 3.81Å
261	C	98	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.3	172.6	-178.1	0	0	0	0	109.4	F192 I250 V251 F252 Y283 I285	F192-C261 HydrophobicContact CE1-CB 4.39Å; F192-C261 WeakPolarHBondContact CE1-SG 3.27Å; F192-C261 HydrophobicContact CZ-CB 3.9Å; F192-C261 VanDerWaalsContact CZ-SG 3.55Å; I250-C261 VanDerWaalsContact CG2-SG 3.55Å; V251-C261 CarbonylContact O-C 3.59Å; V251-C261 WeakPolarHBondContact O-CA 3.34Å; F252-C261 HydrophobicContact CD1-CB 3.98Å; F252-C261 HydrophobicContact CE1-CB 3.89Å; C261-Y283 PolarHBondContact N-O 2.89Å; C261-Y283 PolarHBondContact O-N 3.46Å; C261-I285 HydrophobicContact CB-CD1 4.28Å; C261-I285 HydrophobicContact CB-CG1 4.1Å
262	L	98.1	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.2	170.9	169.9	66.4	0	0	0	108.6	V251 L282 I304 V319	V251-L262 HydrophobicContact CB-CB 4.16Å; V251-L262 PolarHBondContact N-O 2.81Å; V251-L262 PolarHBondContact O-N 2.81Å; L262-L282 HydrophobicContact CB-CD1 4.18Å; L262-I304 HydrophobicContact CD1-CD1 3.97Å; L262-I304 HydrophobicContact CD1-CG1 4.2Å; L262-I304 HydrophobicContact CD2-CD1 4.19Å; L262-I304 HydrophobicContact CG-CD1 4.4Å; L262-V319 HydrophobicContact CD1-CG1 3.96Å; L262-V319 HydrophobicContact CD1-CG2 4.37Å; L262-V319 HydrophobicContact CD2-CG2 4.02Å
263	L	97.7	Very high	95.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.5	168.9	-58.7	-178.7	0	0	0	107.4	F192 F195 L196 Y200 I250 S280 F281 Y283	F192-L263 HydrophobicContact CE1-CD2 4.39Å; F195-L263 HydrophobicContact CE2-CD1 4.5Å; L196-L263 HydrophobicContact CD2-CD1 3.31Å; L196-L263 HydrophobicContact CD2-CD2 3.92Å; L196-L263 HydrophobicContact CD2-CG 4.28Å; Y200-L263 HydrophobicContact CD1-CD2 4.41Å; Y200-L263 HydrophobicContact CE1-CB 4.01Å; Y200-L263 HydrophobicContact CE1-CD2 4.33Å; Y200-L263 HydrophobicContact CE2-CB 3.99Å; Y200-L263 HydrophobicContact CE2-CD1 4.31Å; Y200-L263 WeakPolarHBondContact OH-CB 3.17Å; I250-L263 HydrophobicContact CB-CD2 4.21Å; I250-L263 HydrophobicContact CD1-CD2 4.29Å; I250-L263 HydrophobicContact CG1-CD2 3.76Å; I250-L263 HydrophobicContact CG2-CD2 3.89Å; L263-S280 CarbonylContact O-C 3.48Å; L263-S280 WeakPolarHBondContact O-CA 3.45Å; L263-S280 WeakPolarHBondContact O-CB 3.41Å; L263-F281 HydrophobicContact CB-CB 4.26Å; L263-F281 HydrophobicContact CB-CD2 4.36Å; L263-F281 HydrophobicContact CD1-CB 4.25Å; L263-F281 HydrophobicContact CD1-CD2 4.1Å; L263-F281 PolarHBondContact N-O 2.89Å; L263-F281 PolarHBondContact O-N 2.93Å; L263-Y283 HydrophobicContact CD1-CD2 4.14Å; L263-Y283 HydrophobicContact CD1-CE2 3.82Å
264	S	96.8	Very high	95.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126.2	176.8	-174.6	0	0	0	0	110.4	Y200 P248 M249 Q266 I304	Y200-S264 WeakPolarHBondContact OH-CA 3.06Å; Y200-S264 PolarHBondContact OH-N 2.92Å; Y200-S264 VanDerWaalsContact OH-N 3.1Å; Y200-S264 PolarHBondContact OH-O 3.32Å; P248-S264 CarbonylContact C-O 3.57Å; P248-S264 WeakPolarHBondContact CA-O 3.45Å; M249-S264 PolarHBondContact N-O 2.8Å; M249-S264 PolarHBondContact O-N 3.2Å; S264-Q266 VanDerWaalsContact CB-O 3.26Å; S264-Q266 WeakPolarHBondContact CB-O 3.47Å; S264-Q266 PolarHBondContact O-N 2.86Å; S264-Q266 PolarHBondContact OG-O 2.84Å; S264-I304 VanDerWaalsContact OG-CD1 3.32Å; S264-I304 WeakPolarHBondContact OG-CD1 3.22Å
265	D	94.8	Very high	95.1	Very high	37 Å²	37	41.1 Å²	41.1	20%	0.198	20%	0.196	C	C	.	.	S	Bend	trans	-67.7	-11	178.6	62.9	-2.4	0	0	0	114.2	Y200 G276 K277 S280	Y200-D265 PolarHBondContact OH-N 2.84Å; D265-G276 WeakPolarHBondContact OD1-CA 3.45Å; D265-K277 WeakPolarHBondContact OD2-CA 3.44Å; D265-K277 PolarHBondContact OD2-N 3.22Å; D265-S280 PolarHBondContact N-OG 2.88Å; D265-S280 PolarHBondContact OD1-OG 2.92Å; D265-S280 VanDerWaalsContact OD1-OG 3.06Å
266	Q	93.8	Very high	95	Very high	55 Å²	55	41.1 Å²	41.1	26%	0.257	20%	0.196	S	C	.	.	S	Bend	trans	-141.5	172.5	175.2	61.9	172.3	45.5	0	0	110.1	G247 S264 K269 F275	G247-Q266 CarbonylContact O-C 3.54Å; S264-Q266 VanDerWaalsContact CB-O 3.26Å; S264-Q266 WeakPolarHBondContact CB-O 3.47Å; S264-Q266 PolarHBondContact O-N 2.86Å; S264-Q266 PolarHBondContact OG-O 2.84Å; Q266-K269 VanDerWaalsContact NE2-CE 3.31Å; Q266-F275 HydrophobicContact CG-CD2 4.08Å
267	G	95	Very high	94.9	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	19%	0.194	C	C	.	.			trans	-64.8	151.9	177.2	0	0	0	0	0	113.8	Y245 G247	Y245-G267 VanDerWaalsContact O-CA 3.27Å; Y245-G267 WeakPolarHBondContact O-CA 3.05Å; G247-G267 WeakPolarHBondContact O-CA 3.4Å; G247-G267 PolarHBondContact O-N 2.8Å
268	L	95.2	Very high	94.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	19%	0.192	C	C	.	.			trans	-63.7	134.6	165.7	-74.9	178.2	0	0	0	109.2	V242 F243 M249 V251 F275 I304 L317	V242-L268 HydrophobicContact CG1-CB 4.5Å; V242-L268 HydrophobicContact CG1-CD1 4.45Å; F243-L268 WeakPolarHBondContact CA-O 3.11Å; F243-L268 HydrophobicContact CD2-CB 4.24Å; F243-L268 HydrophobicContact CE2-CB 3.89Å; F243-L268 HydrophobicContact CE2-CD1 4.25Å; F243-L268 HydrophobicContact CZ-CB 4.05Å; M249-L268 HydrophobicContact SD-CB 3.99Å; M249-L268 HydrophobicContact SD-CD1 4.06Å; M249-L268 HydrophobicContact SD-CG 3.53Å; M249-L268 VanDerWaalsContact SD-CG 3.53Å; M249-L268 PolarHBondContact SD-N 2.87Å; V251-L268 HydrophobicContact CG2-CD1 4.04Å; L268-F275 HydrophobicContact CD2-CE2 4.35Å; L268-F275 HydrophobicContact CD2-CZ 4.22Å; L268-I304 HydrophobicContact CD2-CG2 4.22Å; L268-L317 HydrophobicContact CD2-CD1 4.04Å
269	K	93.9	Very high	94.7	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	20%	0.201	S	C	.	.			trans	-147.3	150.6	179.7	66.9	-171.6	-177.1	-165.4	0	110.2	Q266 S271 F275 A306	Q266-K269 VanDerWaalsContact NE2-CE 3.31Å; K269-S271 PolarHBondContact O-N 3.45Å; K269-F275 HydrophobicContact CG-CD1 4.35Å; K269-F275 HydrophobicContact CG-CE1 4.03Å; K269-F275 HydrophobicContact CG-CZ 4.21Å; K269-F275 WeakPolarHBondContact O-CE1 3.22Å; K269-A306 WeakPolarHBondContact O-CB 3.44Å
270	E	93.1	Very high	94.6	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	20%	0.2	S	C	.	.			trans	-68.9	126.8	166.6	-68.5	-161.4	-170	0	0	110.1	F243 A306 F308 S309	F243-E270 HydrophobicContact CD1-CG 4.2Å; F243-E270 HydrophobicContact CE1-CG 4.02Å; E270-A306 CarbonylContact C-O 2.98Å; E270-A306 WeakPolarHBondContact CA-O 3.23Å; E270-F308 HydrophobicContact CG-CD2 4.13Å; E270-S309 VanDerWaalsContact OE2-CB 3.26Å; E270-S309 WeakPolarHBondContact OE2-CB 3.15Å; E270-S309 PolarHBondContact OE2-OG 2.79Å
271	S	92.8	Very high	94.5	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	132	-178.8	177.2	0	0	0	0	110.6	K269 K273 A306	K269-S271 PolarHBondContact O-N 3.45Å; S271-K273 WeakPolarHBondContact CB-O 3.47Å; S271-K273 PolarHBondContact O-N 3.31Å; S271-K273 PolarHBondContact OG-N 3.14Å; S271-K273 PolarHBondContact OG-O 3.43Å; S271-A306 PolarHBondContact N-O 2.72Å; S271-A306 VanDerWaalsContact O-O 3.08Å
272	L	92.2	Very high	94.5	Very high	91 Å²	91	43.8 Å²	43.8	48%	0.476	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-11.7	169.3	-59.8	-180	0	0	0	112.5	N307 T310	L272-N307 HydrophobicContact CD2-CB 4.48Å; L272-T310 HydrophobicContact CD2-CG2 4.12Å
273	K	93	Very high	94.4	Very high	169 Å²	169	44.8 Å²	44.8	74%	0.735	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	144.8	172.6	-63.2	-177.5	-179.1	-179.9	0	110	S271	S271-K273 WeakPolarHBondContact CB-O 3.47Å; S271-K273 PolarHBondContact O-N 3.31Å; S271-K273 PolarHBondContact OG-N 3.14Å; S271-K273 PolarHBondContact OG-O 3.43Å
274	T	94.2	Very high	94.4	Very high	25 Å²	25	45 Å²	45	15%	0.153	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	157.1	170.7	38.1	0	0	0	0	111.6	S301 I304 P323	T274-S301 CarbonylContact C-O 3.33Å; T274-S301 WeakPolarHBondContact CB-O 3.44Å; T274-S301 VanDerWaalsContact OG1-C 3.29Å; T274-S301 WeakPolarHBondContact OG1-CB 3.43Å; T274-S301 PolarHBondContact OG1-O 2.82Å; T274-S301 PolarHBondContact OG1-OG 2.82Å; T274-I304 CarbonylContact C-O 3.57Å; T274-I304 WeakPolarHBondContact CA-O 3.39Å; T274-P323 HydrophobicContact CG2-CB 4.21Å; T274-P323 HydrophobicContact CG2-CG 3.84Å
275	F	94.8	Very high	94.3	Very high	7 Å²	7	45.1 Å²	45.1	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-179.1	178.1	63.9	-93.5	0	0	0	111.1	Q266 L268 K269 S301 G302 I303 I304 A306	Q266-F275 HydrophobicContact CG-CD2 4.08Å; L268-F275 HydrophobicContact CD2-CE2 4.35Å; L268-F275 HydrophobicContact CD2-CZ 4.22Å; K269-F275 HydrophobicContact CG-CD1 4.35Å; K269-F275 HydrophobicContact CG-CE1 4.03Å; K269-F275 HydrophobicContact CG-CZ 4.21Å; K269-F275 WeakPolarHBondContact O-CE1 3.22Å; F275-S301 PolarHBondContact N-O 3.41Å; F275-G302 CarbonylContact O-C 3.02Å; F275-I303 PolarHBondContact O-N 2.79Å; F275-I304 HydrophobicContact CD2-CB 3.91Å; F275-I304 HydrophobicContact CD2-CD1 4.17Å; F275-I304 HydrophobicContact CD2-CG2 4.29Å; F275-I304 HydrophobicContact CE1-CB 4.39Å; F275-I304 HydrophobicContact CE1-CG2 4.08Å; F275-I304 HydrophobicContact CE2-CB 3.75Å; F275-I304 HydrophobicContact CE2-CD1 3.93Å; F275-I304 HydrophobicContact CE2-CG1 4.41Å; F275-I304 HydrophobicContact CE2-CG2 3.62Å; F275-I304 HydrophobicContact CG-CB 4.34Å; F275-I304 HydrophobicContact CZ-CB 4Å; F275-I304 HydrophobicContact CZ-CG2 3.49Å; F275-I304 VanDerWaalsContact CZ-CG2 3.49Å; F275-I304 PolarHBondContact N-O 3.32Å; F275-I304 WeakPolarHBondContact O-CA 3.43Å; F275-I304 WeakPolarHBondContact O-CB 3.37Å; F275-I304 PolarHBondContact O-N 2.76Å; F275-A306 HydrophobicContact CE1-CB 4.27Å; F275-A306 HydrophobicContact CZ-CB 4.37Å
276	G	93.8	Very high	94.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.213	C	C	.	.			trans	82.2	98.8	-174.9	0	0	0	0	0	110.7	D265 S280 G302 I303	D265-G276 WeakPolarHBondContact OD1-CA 3.45Å; G276-S280 WeakPolarHBondContact CA-OG 3.25Å; G276-G302 CarbonylContact O-C 3.59Å; G276-G302 WeakPolarHBondContact O-CA 3.45Å; G276-I303 PolarHBondContact O-N 2.65Å
277	K	91.9	Very high	94.2	Very high	125 Å²	125	46.4 Å²	46.4	54%	0.543	22%	0.221	S	C	.	.			trans	-109.3	-133.9	-167.8	-63.4	-173	173.9	-171.8	0	111.1	D265 Y279 S280 G295	D265-K277 WeakPolarHBondContact OD2-CA 3.44Å; D265-K277 PolarHBondContact OD2-N 3.22Å; K277-Y279 PolarHBondContact O-N 2.93Å; K277-Y279 VanDerWaalsContact O-N 3.1Å; K277-S280 PolarHBondContact N-OG 2.96Å; K277-S280 WeakPolarHBondContact O-CB 3.37Å; K277-S280 PolarHBondContact O-N 2.71Å; K277-G295 WeakPolarHBondContact O-CA 3.32Å
278	E	91.2	Very high	94	Very high	98 Å²	98	52 Å²	52	46%	0.458	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-41.5	-166	-178.5	170	-168.9	0	0	113.6
279	Y	93.5	Very high	93.9	Very high	85 Å²	85	52 Å²	52	33%	0.333	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	11.2	-177.3	-56.5	-72.2	0	0	0	113.7	Y198 Y200 K277 F281	Y198-Y279 HydrophobicContact CD1-CE1 4.46Å; Y198-Y279 HydrophobicContact CD1-CE2 4.32Å; Y198-Y279 HydrophobicContact CE1-CE2 4.33Å; Y198-Y279 VanDerWaalsContact O-CD1 3.28Å; Y198-Y279 WeakPolarHBondContact O-CD1 3.42Å; Y200-Y279 VanDerWaalsContact CE2-O 3.26Å; Y200-Y279 WeakPolarHBondContact CE2-O 3.33Å; Y200-Y279 PolarHBondContact OH-O 2.92Å; K277-Y279 PolarHBondContact O-N 2.93Å; K277-Y279 VanDerWaalsContact O-N 3.1Å; Y279-F281 VanDerWaalsContact C-CE2 3.43Å; Y279-F281 VanDerWaalsContact O-CD2 3.3Å; Y279-F281 WeakPolarHBondContact O-CD2 3.39Å; Y279-F281 VanDerWaalsContact O-CE2 3.28Å; Y279-F281 WeakPolarHBondContact O-CE2 3.4Å
280	S	95.6	Very high	93.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.			trans	-96.3	136.3	174.5	-61.8	0	0	0	0	111.2	L263 D265 G276 K277 G295 I303	L263-S280 CarbonylContact O-C 3.48Å; L263-S280 WeakPolarHBondContact O-CA 3.45Å; L263-S280 WeakPolarHBondContact O-CB 3.41Å; D265-S280 PolarHBondContact N-OG 2.88Å; D265-S280 PolarHBondContact OD1-OG 2.92Å; D265-S280 VanDerWaalsContact OD1-OG 3.06Å; G276-S280 WeakPolarHBondContact CA-OG 3.25Å; K277-S280 PolarHBondContact N-OG 2.96Å; K277-S280 WeakPolarHBondContact O-CB 3.37Å; K277-S280 PolarHBondContact O-N 2.71Å; S280-G295 PolarHBondContact O-N 3.49Å; S280-I303 WeakPolarHBondContact O-CD1 3.48Å
281	F	96.1	Very high	93.8	Very high	28 Å²	28	54.2 Å²	54.2	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.7	-175.4	-53.5	-83.7	0	0	0	110.9	L263 Y279 Y283 V293 S294	L263-F281 HydrophobicContact CB-CB 4.26Å; L263-F281 HydrophobicContact CB-CD2 4.36Å; L263-F281 HydrophobicContact CD1-CB 4.25Å; L263-F281 HydrophobicContact CD1-CD2 4.1Å; L263-F281 PolarHBondContact N-O 2.89Å; L263-F281 PolarHBondContact O-N 2.93Å; Y279-F281 VanDerWaalsContact C-CE2 3.43Å; Y279-F281 VanDerWaalsContact O-CD2 3.3Å; Y279-F281 WeakPolarHBondContact O-CD2 3.39Å; Y279-F281 VanDerWaalsContact O-CE2 3.28Å; Y279-F281 WeakPolarHBondContact O-CE2 3.4Å; F281-Y283 HydrophobicContact CB-CD2 3.97Å; F281-Y283 HydrophobicContact CB-CE2 3.48Å; F281-Y283 VanDerWaalsContact CB-CE2 3.48Å; F281-Y283 HydrophobicContact CG-CE2 4.1Å; F281-V293 WeakPolarHBondContact CA-O 3.5Å; F281-S294 VanDerWaalsContact CE1-OG 3.29Å; F281-S294 WeakPolarHBondContact CE1-OG 3.34Å
282	L	97.3	Very high	93.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.5	166.3	-179.9	66.7	0	0	0	109	F260 L262 L292 V293 V319 V328 I329	F260-L282 HydrophobicContact CB-CD1 4.42Å; L262-L282 HydrophobicContact CB-CD1 4.18Å; L282-L292 HydrophobicContact CD2-CB 4.24Å; L282-L292 HydrophobicContact CD2-CD1 4.04Å; L282-L292 HydrophobicContact CG-CB 4.3Å; L282-L292 HydrophobicContact CG-CD1 4.22Å; L282-L292 PolarHBondContact O-N 3.23Å; L282-V293 HydrophobicContact CB-CB 3.81Å; L282-V293 HydrophobicContact CB-CG2 3.95Å; L282-V293 HydrophobicContact CD2-CG2 4.01Å; L282-V293 PolarHBondContact N-O 3.41Å; L282-V293 PolarHBondContact O-N 2.84Å; L282-V319 HydrophobicContact CB-CG1 4.03Å; L282-V319 HydrophobicContact CD1-CG1 4.45Å; L282-V319 HydrophobicContact CD2-CB 4.35Å; L282-V319 HydrophobicContact CD2-CG1 3.89Å; L282-V319 HydrophobicContact CG-CG1 4.34Å; L282-V328 HydrophobicContact CD2-CB 4.23Å; L282-V328 HydrophobicContact CD2-CG1 3.92Å; L282-I329 HydrophobicContact CD1-CD1 3.69Å; L282-I329 HydrophobicContact CD2-CB 4.37Å; L282-I329 HydrophobicContact CD2-CD1 3.61Å; L282-I329 HydrophobicContact CD2-CG1 3.85Å; L282-I329 HydrophobicContact CG-CD1 4.16Å
283	Y	96.7	Very high	94	Very high	20 Å²	20	50.2 Å²	50.2	8%	0.078	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.7	173.2	-72.2	-98	0	0	0	110.3	F195 F260 C261 L263 F281 F289 I290 R291	F195-Y283 HydrophobicContact CD2-CE1 4.41Å; F195-Y283 HydrophobicContact CE2-CE1 4.12Å; F195-Y283 HydrophobicContact CE2-CE2 4.02Å; F195-Y283 AromaticContact CE2-CZ 3.8Å; F260-Y283 CarbonylContact C-O 3.19Å; F260-Y283 VanDerWaalsContact CA-O 3.29Å; F260-Y283 WeakPolarHBondContact CA-O 3.48Å; C261-Y283 PolarHBondContact N-O 2.89Å; C261-Y283 PolarHBondContact O-N 3.46Å; L263-Y283 HydrophobicContact CD1-CD2 4.14Å; L263-Y283 HydrophobicContact CD1-CE2 3.82Å; F281-Y283 HydrophobicContact CB-CD2 3.97Å; F281-Y283 HydrophobicContact CB-CE2 3.48Å; F281-Y283 VanDerWaalsContact CB-CE2 3.48Å; F281-Y283 HydrophobicContact CG-CE2 4.1Å; Y283-F289 HydrophobicContact CD1-CE2 4.12Å; Y283-F289 HydrophobicContact CD1-CZ 4.23Å; Y283-F289 HydrophobicContact CE1-CZ 4.33Å; Y283-I290 WeakPolarHBondContact CA-O 3.27Å; Y283-R291 HydrophobicContact CD1-CB 3.94Å; Y283-R291 HydrophobicContact CD1-CG 4.44Å; Y283-R291 HydrophobicContact CE1-CB 3.6Å; Y283-R291 HydrophobicContact CE1-CG 4.02Å; Y283-R291 HydrophobicContact CE2-CG 4.29Å
284	Q	96.2	Very high	94.1	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.9	153.5	-168.9	-171.6	-73.7	0	0	106.6	F260 Q286 K288 F289 I290 L292 Y340	F260-Q284 HydrophobicContact CD1-CB 3.99Å; F260-Q284 HydrophobicContact CD1-CG 4Å; F260-Q284 HydrophobicContact CE1-CB 3.99Å; F260-Q284 HydrophobicContact CE1-CG 3.7Å; Q284-Q286 VanDerWaalsContact CG-O 3.29Å; Q284-Q286 WeakPolarHBondContact CG-O 3.45Å; Q284-K288 CarbonylContact C-O 3.44Å; Q284-K288 VanDerWaalsContact C-O 3.28Å; Q284-K288 WeakPolarHBondContact CG-O 3.31Å; Q284-K288 VanDerWaalsContact NE2-N 3.19Å; Q284-K288 PolarHBondContact NE2-O 2.97Å; Q284-F289 CarbonylContact O-C 3.43Å; Q284-F289 VanDerWaalsContact O-CA 3.27Å; Q284-F289 WeakPolarHBondContact O-CA 3.5Å; Q284-I290 HydrophobicContact CB-CG1 3.83Å; Q284-I290 PolarHBondContact N-O 3.26Å; Q284-I290 PolarHBondContact O-N 3.14Å; Q284-L292 HydrophobicContact CB-CD1 3.89Å; Q284-L292 HydrophobicContact CB-CD2 4.45Å; Q284-L292 HydrophobicContact CB-CG 4.1Å; Q284-Y340 PolarHBondContact OE1-OH 2.89Å; Q284-Y340 VanDerWaalsContact OE1-OH 3.14Å
285	I	95.3	Very high	93.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-43.5	175.9	-51.2	-60.6	0	0	0	109.9	L121 L188 F192 L259 C261 K288 F289	L121-I285 WeakPolarHBondContact CD1-O 3.15Å; L121-I285 HydrophobicContact CD2-CG2 4.19Å; L121-I285 WeakPolarHBondContact CD2-O 3.35Å; L188-I285 HydrophobicContact CD2-CG2 3.79Å; F192-I285 HydrophobicContact CE2-CD1 4.11Å; F192-I285 HydrophobicContact CZ-CD1 4.12Å; L259-I285 HydrophobicContact CB-CB 4.27Å; L259-I285 HydrophobicContact CD2-CB 4.02Å; L259-I285 HydrophobicContact CD2-CG1 4.48Å; L259-I285 HydrophobicContact CD2-CG2 4.06Å; L259-I285 HydrophobicContact CG-CB 4Å; L259-I285 HydrophobicContact CG-CG1 4.32Å; L259-I285 PolarHBondContact O-N 3.39Å; C261-I285 HydrophobicContact CB-CD1 4.28Å; C261-I285 HydrophobicContact CB-CG1 4.1Å; I285-K288 CarbonylContact C-O 3.56Å; I285-K288 CarbonylContact O-C 3.48Å; I285-F289 HydrophobicContact CD1-CD2 3.65Å; I285-F289 HydrophobicContact CD1-CE2 3.48Å; I285-F289 VanDerWaalsContact CD1-CE2 3.48Å
286	Q	94.2	Very high	93.4	Very high	54 Å²	54	49 Å²	49	25%	0.252	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.5	176.4	-66	-179.7	-39.8	0	0	110.6	E257 F258 L259 Q284 K288	E257-Q286 WeakPolarHBondContact O-CB 3.21Å; F258-Q286 WeakPolarHBondContact CA-O 3.32Å; L259-Q286 HydrophobicContact CB-CB 3.92Å; L259-Q286 HydrophobicContact CB-CG 4.17Å; L259-Q286 PolarHBondContact N-O 3.46Å; L259-Q286 PolarHBondContact O-N 2.74Å; Q284-Q286 VanDerWaalsContact CG-O 3.29Å; Q284-Q286 WeakPolarHBondContact CG-O 3.45Å; Q286-K288 VanDerWaalsContact C-N 3.32Å
287	P	92.6	Very high	92.6	Very high	66 Å²	66	55.3 Å²	55.3	43%	0.429	26%	0.258	S	S	.	.	S	Bend	cis	-79	-11.1	-1.6	32.5	-36.7	0	0	0	113.8	S125 F258	S125-P287 PolarHBondContact OG-O 3.48Å; F258-P287 HydrophobicContact CE1-CG 4.38Å
288	K	91	Very high	91	Very high	123 Å²	123	50.2 Å²	50.2	54%	0.535	24%	0.24	S	C	.	.	S	Bend	trans	-121	137.5	176	-57.2	-175.4	176.5	-174.7	0	111.9	S125 Q284 I285 Q286 I290	S125-K288 VanDerWaalsContact OG-CA 3.28Å; S125-K288 WeakPolarHBondContact OG-CA 3.41Å; Q284-K288 CarbonylContact C-O 3.44Å; Q284-K288 VanDerWaalsContact C-O 3.28Å; Q284-K288 WeakPolarHBondContact CG-O 3.31Å; Q284-K288 VanDerWaalsContact NE2-N 3.19Å; Q284-K288 PolarHBondContact NE2-O 2.97Å; I285-K288 CarbonylContact C-O 3.56Å; I285-K288 CarbonylContact O-C 3.48Å; Q286-K288 VanDerWaalsContact C-N 3.32Å; K288-I290 PolarHBondContact O-N 3.27Å
289	F	92.6	Very high	89.7	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.238	C	C	.	.			trans	-83.4	98.6	173.6	-173.4	-114.4	0	0	0	110.3	L121 I126 L147 L191 F195 Y283 Q284 I285	L121-F289 HydrophobicContact CD1-CB 3.98Å; L121-F289 HydrophobicContact CD2-CB 4.15Å; L121-F289 HydrophobicContact CG-CB 4.12Å; I126-F289 HydrophobicContact CD1-CD1 4.03Å; I126-F289 HydrophobicContact CD1-CG 4.47Å; I126-F289 HydrophobicContact CG1-CB 4.14Å; I126-F289 HydrophobicContact CG1-CD1 3.93Å; I126-F289 HydrophobicContact CG1-CG 4.41Å; L147-F289 HydrophobicContact CB-CD1 4.49Å; L147-F289 HydrophobicContact CB-CE1 4.16Å; L147-F289 HydrophobicContact CD1-CD1 4.33Å; L147-F289 HydrophobicContact CD2-CD1 4.33Å; L147-F289 HydrophobicContact CD2-CE1 4.3Å; L191-F289 HydrophobicContact CD1-CZ 4.49Å; L191-F289 HydrophobicContact CD2-CD2 4.13Å; L191-F289 HydrophobicContact CD2-CE2 3.99Å; L191-F289 HydrophobicContact CD2-CZ 4.42Å; F195-F289 AromaticContact CD1-CZ 3.84Å; F195-F289 HydrophobicContact CD1-CZ 3.84Å; F195-F289 HydrophobicContact CE1-CE2 4.05Å; F195-F289 AromaticContact CE1-CZ 3.62Å; F195-F289 HydrophobicContact CE1-CZ 3.62Å; F195-F289 HydrophobicContact CG-CZ 4.47Å; F195-F289 HydrophobicContact CZ-CE2 4.28Å; F195-F289 HydrophobicContact CZ-CZ 4.06Å; Y283-F289 HydrophobicContact CD1-CE2 4.12Å; Y283-F289 HydrophobicContact CD1-CZ 4.23Å; Y283-F289 HydrophobicContact CE1-CZ 4.33Å; Q284-F289 CarbonylContact O-C 3.43Å; Q284-F289 VanDerWaalsContact O-CA 3.27Å; Q284-F289 WeakPolarHBondContact O-CA 3.5Å; I285-F289 HydrophobicContact CD1-CD2 3.65Å; I285-F289 HydrophobicContact CD1-CE2 3.48Å; I285-F289 VanDerWaalsContact CD1-CE2 3.48Å
290	I	92	Very high	88.5	Confident	66 Å²	66	52.7 Å²	52.7	34%	0.338	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142	-179.4	55.2	174.9	0	0	0	110.8	Y283 Q284 K288 L292	Y283-I290 WeakPolarHBondContact CA-O 3.27Å; Q284-I290 HydrophobicContact CB-CG1 3.83Å; Q284-I290 PolarHBondContact N-O 3.26Å; Q284-I290 PolarHBondContact O-N 3.14Å; K288-I290 PolarHBondContact O-N 3.27Å; I290-L292 HydrophobicContact CD1-CD2 3.55Å; I290-L292 HydrophobicContact CG1-CD2 3.87Å; I290-L292 HydrophobicContact CG1-CG 4.43Å; I290-L292 PolarHBondContact O-N 3.12Å
291	R	93.5	Very high	87.8	Confident	144 Å²	144	55.1 Å²	55.1	54%	0.543	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.7	167.5	-173.9	173.2	60.2	-163	-3.3	109	Y283	Y283-R291 HydrophobicContact CD1-CB 3.94Å; Y283-R291 HydrophobicContact CD1-CG 4.44Å; Y283-R291 HydrophobicContact CE1-CB 3.6Å; Y283-R291 HydrophobicContact CE1-CG 4.02Å; Y283-R291 HydrophobicContact CE2-CG 4.29Å
292	L	94.8	Very high	87.6	Confident	34 Å²	34	53.8 Å²	53.8	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-38.7	-179	-64.1	176.9	0	0	0	112.5	F260 L282 Q284 I290 V328 Y340	F260-L292 HydrophobicContact CD1-CD1 4.04Å; F260-L292 HydrophobicContact CE1-CD1 3.91Å; L282-L292 HydrophobicContact CD2-CB 4.24Å; L282-L292 HydrophobicContact CD2-CD1 4.04Å; L282-L292 HydrophobicContact CG-CB 4.3Å; L282-L292 HydrophobicContact CG-CD1 4.22Å; L282-L292 PolarHBondContact O-N 3.23Å; Q284-L292 HydrophobicContact CB-CD1 3.89Å; Q284-L292 HydrophobicContact CB-CD2 4.45Å; Q284-L292 HydrophobicContact CB-CG 4.1Å; I290-L292 HydrophobicContact CD1-CD2 3.55Å; I290-L292 HydrophobicContact CG1-CD2 3.87Å; I290-L292 HydrophobicContact CG1-CG 4.43Å; I290-L292 PolarHBondContact O-N 3.12Å; L292-V328 HydrophobicContact CB-CG1 4.19Å; L292-V328 HydrophobicContact CD1-CG1 3.94Å; L292-Y340 HydrophobicContact CD1-CE2 3.77Å; L292-Y340 HydrophobicContact CD2-CE2 4.45Å; L292-Y340 WeakPolarHBondContact CD2-OH 3.36Å
293	V	94.9	Very high	87.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.3	-174.4	-171.9	0	0	0	0	110	F281 L282 I303 V328	F281-V293 WeakPolarHBondContact CA-O 3.5Å; L282-V293 HydrophobicContact CB-CB 3.81Å; L282-V293 HydrophobicContact CB-CG2 3.95Å; L282-V293 HydrophobicContact CD2-CG2 4.01Å; L282-V293 PolarHBondContact N-O 3.41Å; L282-V293 PolarHBondContact O-N 2.84Å; V293-I303 HydrophobicContact CB-CD1 4.43Å; V293-I303 HydrophobicContact CG1-CB 3.85Å; V293-I303 HydrophobicContact CG1-CD1 3.85Å; V293-I303 HydrophobicContact CG1-CG1 4.45Å; V293-I303 HydrophobicContact CG1-CG2 3.7Å; V293-V328 HydrophobicContact CG2-CB 4.11Å; V293-V328 HydrophobicContact CG2-CG1 4.45Å; V293-V328 HydrophobicContact CG2-CG2 3.72Å
294	S	93.6	Very high	87.5	Confident	10 Å²	10	52.9 Å²	52.9	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.9	169.3	174.7	0	0	0	0	109.8	F281 K296 L297 G298 H321	F281-S294 VanDerWaalsContact CE1-OG 3.29Å; F281-S294 WeakPolarHBondContact CE1-OG 3.34Å; S294-K296 PolarHBondContact O-N 2.65Å; S294-K296 PolarHBondContact OG-N 3.05Å; S294-L297 PolarHBondContact O-N 3.47Å; S294-G298 PolarHBondContact O-N 3.09Å; S294-H321 PolarHBondContact N-NE2 3.1Å
295	G	90.3	Very high	87.5	Confident	10 Å²	10	52.6 Å²	52.6	10%	0.103	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.3	178.8	0	0	0	0	0	114.6	K277 S280 L297 G298 I303	K277-G295 WeakPolarHBondContact O-CA 3.32Å; S280-G295 PolarHBondContact O-N 3.49Å; G295-L297 VanDerWaalsContact C-N 3.29Å; G295-L297 PolarHBondContact O-N 2.86Å; G295-G298 PolarHBondContact O-N 2.8Å; G295-I303 VanDerWaalsContact CA-CG2 3.42Å
296	K	84.4	Confident	87.6	Confident	155 Å²	155	52.5 Å²	52.5	67%	0.674	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.5	167	-172.4	173.2	-178.1	170.7	0	113.3	S294	S294-K296 PolarHBondContact O-N 2.65Å; S294-K296 PolarHBondContact OG-N 3.05Å
297	L	76.5	Confident	87.7	Confident	133 Å²	133	50 Å²	50	70%	0.696	26%	0.259	S	S	*	.	S	Bend	trans	-95.1	-4.9	176.4	-64.2	175.6	0	0	0	112.4	S294 G295	S294-L297 PolarHBondContact O-N 3.47Å; G295-L297 VanDerWaalsContact C-N 3.29Å; G295-L297 PolarHBondContact O-N 2.86Å
298	G	60	Low	87.7	Confident	17 Å²	17	47.6 Å²	47.6	18%	0.175	24%	0.242	C	C	.	.	S	Bend	trans	-69.3	161.3	176.2	0	0	0	0	0	111.5	S294 G295	S294-G298 PolarHBondContact O-N 3.09Å; G295-G298 PolarHBondContact O-N 2.8Å
299	T	62.9	Low	87.7	Confident	68 Å²	68	44.9 Å²	44.9	42%	0.417	24%	0.239	S	C	.	.			trans	-58.5	158.6	160.4	61.6	0	0	0	0	109.4	S301 G302	T299-S301 PolarHBondContact O-N 3.45Å; T299-S301 PolarHBondContact OG1-OG 3.21Å; T299-G302 PolarHBondContact O-N 2.86Å; T299-G302 VanDerWaalsContact O-N 3.08Å
300	D	67.4	Low	87.6	Confident	167 Å²	167	46.9 Å²	46.9	89%	0.893	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-9.5	177.8	-68.6	-33.8	0	0	0	114.9
301	S	81.4	Confident	87.5	Confident	51 Å²	51	52.3 Å²	52.3	36%	0.357	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.4	-178.9	81.9	0	0	0	0	114.8	T274 F275 T299	T274-S301 CarbonylContact C-O 3.33Å; T274-S301 WeakPolarHBondContact CB-O 3.44Å; T274-S301 VanDerWaalsContact OG1-C 3.29Å; T274-S301 WeakPolarHBondContact OG1-CB 3.43Å; T274-S301 PolarHBondContact OG1-O 2.82Å; T274-S301 PolarHBondContact OG1-OG 2.82Å; F275-S301 PolarHBondContact N-O 3.41Å; T299-S301 PolarHBondContact O-N 3.45Å; T299-S301 PolarHBondContact OG1-OG 3.21Å
302	G	92.8	Very high	87.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.01	28%	0.283	C	S	.	.			trans	96.2	171.9	-179.8	0	0	0	0	0	115	F275 G276 T299	F275-G302 CarbonylContact O-C 3.02Å; G276-G302 CarbonylContact O-C 3.59Å; G276-G302 WeakPolarHBondContact O-CA 3.45Å; T299-G302 PolarHBondContact O-N 2.86Å; T299-G302 VanDerWaalsContact O-N 3.08Å
303	I	95.8	Very high	86.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-104.5	-2.5	-166.9	69.9	169	0	0	0	115.9	F275 G276 S280 V293 G295 V319 G320 P323	F275-I303 PolarHBondContact O-N 2.79Å; G276-I303 PolarHBondContact O-N 2.65Å; S280-I303 WeakPolarHBondContact O-CD1 3.48Å; V293-I303 HydrophobicContact CB-CD1 4.43Å; V293-I303 HydrophobicContact CG1-CB 3.85Å; V293-I303 HydrophobicContact CG1-CD1 3.85Å; V293-I303 HydrophobicContact CG1-CG1 4.45Å; V293-I303 HydrophobicContact CG1-CG2 3.7Å; G295-I303 VanDerWaalsContact CA-CG2 3.42Å; I303-V319 CarbonylContact O-C 3.52Å; I303-V319 VanDerWaalsContact O-CA 3.26Å; I303-V319 WeakPolarHBondContact O-CA 3.25Å; I303-G320 CarbonylContact C-O 3.58Å; I303-G320 WeakPolarHBondContact CA-O 3.47Å; I303-G320 WeakPolarHBondContact CB-O 3.37Å; I303-G320 PolarHBondContact O-N 3.49Å; I303-P323 VanDerWaalsContact C-CG 3.42Å; I303-P323 VanDerWaalsContact O-CG 3.25Å; I303-P323 WeakPolarHBondContact O-CG 3.39Å
304	I	96.5	Very high	86.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.7	-175.1	-48.1	176.3	0	0	0	108.5	L262 S264 L268 T274 F275 L317	L262-I304 HydrophobicContact CD1-CD1 3.97Å; L262-I304 HydrophobicContact CD1-CG1 4.2Å; L262-I304 HydrophobicContact CD2-CD1 4.19Å; L262-I304 HydrophobicContact CG-CD1 4.4Å; S264-I304 VanDerWaalsContact OG-CD1 3.32Å; S264-I304 WeakPolarHBondContact OG-CD1 3.22Å; L268-I304 HydrophobicContact CD2-CG2 4.22Å; T274-I304 CarbonylContact C-O 3.57Å; T274-I304 WeakPolarHBondContact CA-O 3.39Å; F275-I304 HydrophobicContact CD2-CB 3.91Å; F275-I304 HydrophobicContact CD2-CD1 4.17Å; F275-I304 HydrophobicContact CD2-CG2 4.29Å; F275-I304 HydrophobicContact CE1-CB 4.39Å; F275-I304 HydrophobicContact CE1-CG2 4.08Å; F275-I304 HydrophobicContact CE2-CB 3.75Å; F275-I304 HydrophobicContact CE2-CD1 3.93Å; F275-I304 HydrophobicContact CE2-CG1 4.41Å; F275-I304 HydrophobicContact CE2-CG2 3.62Å; F275-I304 HydrophobicContact CG-CB 4.34Å; F275-I304 HydrophobicContact CZ-CB 4Å; F275-I304 HydrophobicContact CZ-CG2 3.49Å; F275-I304 VanDerWaalsContact CZ-CG2 3.49Å; F275-I304 PolarHBondContact N-O 3.32Å; F275-I304 WeakPolarHBondContact O-CA 3.43Å; F275-I304 WeakPolarHBondContact O-CB 3.37Å; F275-I304 PolarHBondContact O-N 2.76Å; I304-L317 HydrophobicContact CG2-CD1 3.66Å
305	Y	96	Very high	86.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.9	168	167.4	-86.5	0	0	0	108.4	N307 S313 K314 L317 L318 L324	Y305-N307 HydrophobicContact CE1-CB 3.81Å; Y305-N307 HydrophobicContact CE2-CB 4.48Å; Y305-N307 VanDerWaalsContact OH-CB 3.3Å; Y305-N307 WeakPolarHBondContact OH-CB 3.3Å; Y305-S313 WeakPolarHBondContact OH-CB 2.89Å; Y305-K314 VanDerWaalsContact CE1-O 3.23Å; Y305-K314 WeakPolarHBondContact CE1-O 3.39Å; Y305-K314 PolarHBondContact OH-O 2.88Å; Y305-L317 CarbonylContact O-C 3.53Å; Y305-L317 WeakPolarHBondContact O-CA 3.39Å; Y305-L318 HydrophobicContact CD1-CB 4.18Å; Y305-L318 HydrophobicContact CD1-CD1 3.6Å; Y305-L318 HydrophobicContact CD1-CG 3.83Å; Y305-L318 HydrophobicContact CE1-CD1 4.02Å; Y305-L318 HydrophobicContact CE1-CG 4.48Å; Y305-L318 HydrophobicContact CG-CD1 4.48Å; Y305-L318 PolarHBondContact N-O 2.79Å; Y305-L318 PolarHBondContact O-N 3.31Å; Y305-L324 HydrophobicContact CD1-CD2 3.92Å; Y305-L324 HydrophobicContact CD2-CD1 4.21Å; Y305-L324 HydrophobicContact CD2-CD2 3.72Å; Y305-L324 HydrophobicContact CD2-CG 4.1Å; Y305-L324 HydrophobicContact CE1-CD2 3.9Å; Y305-L324 HydrophobicContact CE2-CD1 4.38Å; Y305-L324 HydrophobicContact CE2-CD2 3.69Å; Y305-L324 HydrophobicContact CE2-CG 4.43Å; Y305-L324 HydrophobicContact CG-CD2 3.82Å; Y305-L324 HydrophobicContact CG-CG 4.27Å
306	A	96.5	Very high	87.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	120.4	-179.4	0	0	0	0	0	109.9	K269 E270 S271 F275 F308 G316 L317	K269-A306 WeakPolarHBondContact O-CB 3.44Å; E270-A306 CarbonylContact C-O 2.98Å; E270-A306 WeakPolarHBondContact CA-O 3.23Å; S271-A306 PolarHBondContact N-O 2.72Å; S271-A306 VanDerWaalsContact O-O 3.08Å; F275-A306 HydrophobicContact CE1-CB 4.27Å; F275-A306 HydrophobicContact CZ-CB 4.37Å; A306-F308 HydrophobicContact CB-CE2 4.12Å; A306-G316 WeakPolarHBondContact CA-O 3.18Å; A306-L317 HydrophobicContact CB-CD1 3.75Å
307	N	95.8	Very high	87.7	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.011	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	118	176.5	169	45.9	0	0	0	108.9	L272 Y305 T310 K314 R315 G316	L272-N307 HydrophobicContact CD2-CB 4.48Å; Y305-N307 HydrophobicContact CE1-CB 3.81Å; Y305-N307 HydrophobicContact CE2-CB 4.48Å; Y305-N307 VanDerWaalsContact OH-CB 3.3Å; Y305-N307 WeakPolarHBondContact OH-CB 3.3Å; N307-T310 PolarHBondContact ND2-O 2.76Å; N307-T310 WeakPolarHBondContact OD1-CB 3.41Å; N307-T310 PolarHBondContact OD1-N 3.04Å; N307-T310 PolarHBondContact OD1-OG1 3.15Å; N307-K314 PolarHBondContact ND2-O 2.78Å; N307-R315 CarbonylContact O-C 3.42Å; N307-R315 WeakPolarHBondContact O-CA 3.47Å; N307-G316 PolarHBondContact N-O 2.97Å; N307-G316 PolarHBondContact O-N 3.06Å
308	F	93.7	Very high	88.6	Confident	15 Å²	15	44.1 Å²	44.1	7%	0.066	24%	0.244	C	C	.	.	S	Bend	trans	-115.1	-23.1	177.9	-55.9	-82.1	0	0	0	112	L235 L239 F243 E270 A306 L317 E333 F335	L235-F308 HydrophobicContact CD1-CD1 3.74Å; L235-F308 HydrophobicContact CD1-CD2 4.45Å; L235-F308 HydrophobicContact CD1-CE1 3.83Å; L235-F308 HydrophobicContact CD1-CG 4.06Å; L235-F308 HydrophobicContact CD1-CZ 4.25Å; L235-F308 HydrophobicContact CD2-CB 4.15Å; L235-F308 HydrophobicContact CD2-CD1 4.1Å; L235-F308 HydrophobicContact CD2-CG 4.27Å; L239-F308 HydrophobicContact CD2-CD2 4.19Å; F243-F308 HydrophobicContact CE1-CD2 4.21Å; F243-F308 AromaticContact CE1-CE2 3.88Å; F243-F308 HydrophobicContact CE1-CE2 3.88Å; F243-F308 HydrophobicContact CZ-CD2 4.32Å; F243-F308 AromaticContact CZ-CE2 3.64Å; F243-F308 HydrophobicContact CZ-CE2 3.64Å; F243-F308 HydrophobicContact CZ-CZ 4.46Å; E270-F308 HydrophobicContact CG-CD2 4.13Å; A306-F308 HydrophobicContact CB-CE2 4.12Å; F308-L317 HydrophobicContact CZ-CB 4.09Å; F308-E333 WeakPolarHBondContact CD1-O 3.36Å; F308-F335 AromaticContact CE1-CD2 3.96Å; F308-F335 HydrophobicContact CE1-CD2 3.96Å; F308-F335 AromaticContact CZ-CD2 4Å; F308-F335 HydrophobicContact CZ-CD2 4Å; F308-F335 HydrophobicContact CZ-CE2 4.17Å
309	S	90.2	Very high	90.4	Very high	66 Å²	66	43.4 Å²	43.4	46%	0.462	24%	0.236	S	C	.	.	S	Bend	trans	-92.2	-42.6	-176.2	60	0	0	0	0	114.1	E270 K311 R315	E270-S309 VanDerWaalsContact OE2-CB 3.26Å; E270-S309 WeakPolarHBondContact OE2-CB 3.15Å; E270-S309 PolarHBondContact OE2-OG 2.79Å; S309-K311 PolarHBondContact O-N 2.82Å; S309-R315 PolarHBondContact O-NH2 3.35Å
310	T	90.3	Very high	91.9	Very high	42 Å²	42	40.1 Å²	40.1	26%	0.258	22%	0.216	S	C	.	.			trans	-80.6	121.3	-167.5	-57.8	0	0	0	0	111.2	L272 N307 T312 R315	L272-T310 HydrophobicContact CD2-CG2 4.12Å; N307-T310 PolarHBondContact ND2-O 2.76Å; N307-T310 WeakPolarHBondContact OD1-CB 3.41Å; N307-T310 PolarHBondContact OD1-N 3.04Å; N307-T310 PolarHBondContact OD1-OG1 3.15Å; T310-T312 VanDerWaalsContact CG2-OG1 3.23Å; T310-T312 WeakPolarHBondContact CG2-OG1 3.48Å; T310-R315 WeakPolarHBondContact O-CG 3.44Å; T310-R315 PolarHBondContact O-NE 3.14Å
311	K	89.9	Confident	93.2	Very high	180 Å²	180	35.1 Å²	35.1	78%	0.783	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.2	-178.2	-70	-176.7	179.3	-177.1	0	114.4	S309 S313	S309-K311 PolarHBondContact O-N 2.82Å; K311-S313 PolarHBondContact O-N 2.7Å
312	T	87.1	Confident	93.7	Very high	128 Å²	128	36.9 Å²	36.9	79%	0.785	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.1	-174.4	55.1	0	0	0	0	113.4	T310	T310-T312 VanDerWaalsContact CG2-OG1 3.23Å; T310-T312 WeakPolarHBondContact CG2-OG1 3.48Å
313	S	89	Confident	93.7	Very high	46 Å²	46	36.9 Å²	36.9	32%	0.322	19%	0.19	S	C	.	.	S	Bend	trans	-138.2	163.5	-177.3	-62	0	0	0	0	109.6	Y305 K311 R315	Y305-S313 WeakPolarHBondContact OH-CB 2.89Å; K311-S313 PolarHBondContact O-N 2.7Å; S313-R315 PolarHBondContact O-N 2.83Å
314	K	91.8	Very high	93.6	Very high	76 Å²	76	41 Å²	41	33%	0.33	21%	0.211	S	C	.	.			trans	-56.5	135.6	177.1	-168.8	165.4	173.6	-176.5	0	109.4	Y305 N307 L318 E330	Y305-K314 VanDerWaalsContact CE1-O 3.23Å; Y305-K314 WeakPolarHBondContact CE1-O 3.39Å; Y305-K314 PolarHBondContact OH-O 2.88Å; N307-K314 PolarHBondContact ND2-O 2.78Å; K314-L318 HydrophobicContact CB-CD1 4.38Å; K314-L318 HydrophobicContact CD-CD1 3.54Å; K314-L318 HydrophobicContact CD-CD2 4.49Å; K314-L318 HydrophobicContact CG-CD1 3.91Å; K314-E330 WeakPolarHBondContact CE-OE1 3.11Å; K314-E330 WeakPolarHBondContact CE-OE2 3.27Å; K314-E330 IonicContact NZ-OE1 3.67Å; K314-E330 PolarHBondContact NZ-OE1 2.79Å; K314-E330 IonicContact NZ-OE2 2.67Å; K314-E330 PolarHBondContact NZ-OE2 2.77Å
315	R	94.7	Very high	93.3	Very high	65 Å²	65	47.4 Å²	47.4	25%	0.245	24%	0.244	C	C	.	.			trans	-107.6	148.9	-178.3	-68.4	-179.3	166.8	-163.2	-18.4	111.5	N307 S309 T310 S313 E333	N307-R315 CarbonylContact O-C 3.42Å; N307-R315 WeakPolarHBondContact O-CA 3.47Å; S309-R315 PolarHBondContact O-NH2 3.35Å; T310-R315 WeakPolarHBondContact O-CG 3.44Å; T310-R315 PolarHBondContact O-NE 3.14Å; S313-R315 PolarHBondContact O-N 2.83Å; R315-E333 HydrophobicContact CB-CB 3.88Å; R315-E333 WeakPolarHBondContact CD-OE2 3.4Å; R315-E333 IonicContact CZ-OE2 2.71Å; R315-E333 IonicContact NE-OE2 3.22Å; R315-E333 IonicContact NH1-OE2 3.09Å; R315-E333 PolarHBondContact NH1-OE2 3.02Å
316	G	95.8	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.1	-173.5	-174.2	0	0	0	0	0	113.5	A306 N307 I331	A306-G316 WeakPolarHBondContact CA-O 3.18Å; N307-G316 PolarHBondContact N-O 2.97Å; N307-G316 PolarHBondContact O-N 3.06Å; G316-I331 CarbonylContact C-O 3.55Å; G316-I331 WeakPolarHBondContact CA-O 3.26Å
317	L	97	Very high	93.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.5	171.6	178.4	68.9	0	0	0	109	L268 I304 Y305 A306 F308 V319 I331 F335	L268-L317 HydrophobicContact CD2-CD1 4.04Å; I304-L317 HydrophobicContact CG2-CD1 3.66Å; Y305-L317 CarbonylContact O-C 3.53Å; Y305-L317 WeakPolarHBondContact O-CA 3.39Å; A306-L317 HydrophobicContact CB-CD1 3.75Å; F308-L317 HydrophobicContact CZ-CB 4.09Å; L317-V319 HydrophobicContact CG-CG2 4.4Å; L317-I331 HydrophobicContact CB-CB 4.2Å; L317-I331 HydrophobicContact CB-CD1 4.46Å; L317-I331 HydrophobicContact CD2-CD1 4Å; L317-I331 PolarHBondContact N-O 2.8Å; L317-I331 PolarHBondContact O-N 3.1Å; L317-F335 HydrophobicContact CB-CE2 4.13Å; L317-F335 HydrophobicContact CD2-CE2 4.02Å; L317-F335 HydrophobicContact CD2-CZ 4.11Å
318	L	96.8	Very high	93.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	-178.8	-48.9	178.7	0	0	0	109.4	Y305 K314 P323 L324 P327 I329 E330	Y305-L318 HydrophobicContact CD1-CB 4.18Å; Y305-L318 HydrophobicContact CD1-CD1 3.6Å; Y305-L318 HydrophobicContact CD1-CG 3.83Å; Y305-L318 HydrophobicContact CE1-CD1 4.02Å; Y305-L318 HydrophobicContact CE1-CG 4.48Å; Y305-L318 HydrophobicContact CG-CD1 4.48Å; Y305-L318 PolarHBondContact N-O 2.79Å; Y305-L318 PolarHBondContact O-N 3.31Å; K314-L318 HydrophobicContact CB-CD1 4.38Å; K314-L318 HydrophobicContact CD-CD1 3.54Å; K314-L318 HydrophobicContact CD-CD2 4.49Å; K314-L318 HydrophobicContact CG-CD1 3.91Å; L318-P323 HydrophobicContact CB-CB 3.98Å; L318-P323 WeakPolarHBondContact CD1-O 3.23Å; L318-L324 HydrophobicContact CD1-CD2 4.22Å; L318-P327 HydrophobicContact CB-CB 4.24Å; L318-I329 WeakPolarHBondContact CA-O 3.2Å; L318-E330 HydrophobicContact CD2-CB 3.59Å; L318-E330 HydrophobicContact CD2-CG 3.38Å
319	V	96.7	Very high	93.3	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.9	-179.7	-173.5	0	0	0	0	110.2	L262 L282 I303 L317 V328 I329	L262-V319 HydrophobicContact CD1-CG1 3.96Å; L262-V319 HydrophobicContact CD1-CG2 4.37Å; L262-V319 HydrophobicContact CD2-CG2 4.02Å; L282-V319 HydrophobicContact CB-CG1 4.03Å; L282-V319 HydrophobicContact CD1-CG1 4.45Å; L282-V319 HydrophobicContact CD2-CB 4.35Å; L282-V319 HydrophobicContact CD2-CG1 3.89Å; L282-V319 HydrophobicContact CG-CG1 4.34Å; I303-V319 CarbonylContact O-C 3.52Å; I303-V319 VanDerWaalsContact O-CA 3.26Å; I303-V319 WeakPolarHBondContact O-CA 3.25Å; L317-V319 HydrophobicContact CG-CG2 4.4Å; V319-V328 WeakPolarHBondContact O-CA 3.02Å; V319-V328 PolarHBondContact O-N 3.36Å; V319-I329 HydrophobicContact CB-CB 4.44Å; V319-I329 PolarHBondContact N-O 2.99Å; V319-I329 PolarHBondContact O-N 3.44Å
320	G	95.4	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	171	171.8	-179.5	0	0	0	0	0	112.2	I303 Q322 P323	I303-G320 CarbonylContact C-O 3.58Å; I303-G320 WeakPolarHBondContact CA-O 3.47Å; I303-G320 WeakPolarHBondContact CB-O 3.37Å; I303-G320 PolarHBondContact O-N 3.49Å; G320-Q322 PolarHBondContact O-N 3.08Å; G320-P323 VanDerWaalsContact O-CD 3.25Å; G320-P323 WeakPolarHBondContact O-CD 3.42Å; G320-P323 VanDerWaalsContact O-CG 3.27Å; G320-P323 WeakPolarHBondContact O-CG 3.44Å
321	H	93.5	Very high	93.9	Very high	61 Å²	61	48 Å²	48	28%	0.282	25%	0.246	S	C	.	.	S	Bend	trans	-64.6	-25.4	171.4	-61.6	101.6	0	0	0	112.3	S294	S294-H321 PolarHBondContact N-NE2 3.1Å
322	Q	92.1	Very high	94.2	Very high	88 Å²	88	41.2 Å²	41.2	41%	0.411	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-136.2	75.9	172.1	-65.3	-177	-29.9	0	0	109.9	G320 L324 I325 S326	G320-Q322 PolarHBondContact O-N 3.08Å; Q322-L324 PolarHBondContact O-N 3.02Å; Q322-L324 VanDerWaalsContact O-N 3.08Å; Q322-I325 HydrophobicContact CB-CB 4.22Å; Q322-I325 PolarHBondContact O-N 3.34Å; Q322-S326 CarbonylContact O-C 3.06Å; Q322-S326 PolarHBondContact O-N 2.93Å
323	P	93.7	Very high	94.5	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.013	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.9	-168.6	-27.7	36.4	0	0	0	115.1	T274 I303 L318 G320 P327	T274-P323 HydrophobicContact CG2-CB 4.21Å; T274-P323 HydrophobicContact CG2-CG 3.84Å; I303-P323 VanDerWaalsContact C-CG 3.42Å; I303-P323 VanDerWaalsContact O-CG 3.25Å; I303-P323 WeakPolarHBondContact O-CG 3.39Å; L318-P323 HydrophobicContact CB-CB 3.98Å; L318-P323 WeakPolarHBondContact CD1-O 3.23Å; G320-P323 VanDerWaalsContact O-CD 3.25Å; G320-P323 WeakPolarHBondContact O-CD 3.42Å; G320-P323 VanDerWaalsContact O-CG 3.27Å; G320-P323 WeakPolarHBondContact O-CG 3.44Å; P323-P327 WeakPolarHBondContact O-CB 3.4Å; P323-P327 WeakPolarHBondContact O-CD 3.42Å
324	L	92.5	Very high	94.7	Very high	86 Å²	86	41.3 Å²	41.3	45%	0.45	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.1	-177.7	-71.4	172.2	0	0	0	114	Y305 L318 Q322	Y305-L324 HydrophobicContact CD1-CD2 3.92Å; Y305-L324 HydrophobicContact CD2-CD1 4.21Å; Y305-L324 HydrophobicContact CD2-CD2 3.72Å; Y305-L324 HydrophobicContact CD2-CG 4.1Å; Y305-L324 HydrophobicContact CE1-CD2 3.9Å; Y305-L324 HydrophobicContact CE2-CD1 4.38Å; Y305-L324 HydrophobicContact CE2-CD2 3.69Å; Y305-L324 HydrophobicContact CE2-CG 4.43Å; Y305-L324 HydrophobicContact CG-CD2 3.82Å; Y305-L324 HydrophobicContact CG-CG 4.27Å; L318-L324 HydrophobicContact CD1-CD2 4.22Å; Q322-L324 PolarHBondContact O-N 3.02Å; Q322-L324 VanDerWaalsContact O-N 3.08Å
325	I	91.9	Very high	94.7	Very high	134 Å²	134	38 Å²	38	69%	0.687	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-53.1	-176	-58.9	172	0	0	0	109.8	Q322	Q322-I325 HydrophobicContact CB-CB 4.22Å; Q322-I325 PolarHBondContact O-N 3.34Å
326	S	92.3	Very high	94.7	Very high	62 Å²	62	37.4 Å²	37.4	43%	0.434	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-140.1	73.9	-175.5	62.1	0	0	0	0	109.7	Q322	Q322-S326 CarbonylContact O-C 3.06Å; Q322-S326 PolarHBondContact O-N 2.93Å
327	P	94.6	Very high	94.7	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	22%	0.216	C	C	.	.			trans	-63.4	138.4	175	26.2	-31.9	0	0	0	110.4	L318 P323 E330	L318-P327 HydrophobicContact CB-CB 4.24Å; P323-P327 WeakPolarHBondContact O-CB 3.4Å; P323-P327 WeakPolarHBondContact O-CD 3.42Å; P327-E330 HydrophobicContact CB-CB 4.43Å; P327-E330 HydrophobicContact CG-CB 4.27Å
328	V	96.5	Very high	94.7	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.121	22%	0.216	C	C	.	.	S	Bend	trans	-75.7	-43	168.8	176.5	0	0	0	0	109.3	L282 L292 V293 V319 Y340 N341	L282-V328 HydrophobicContact CD2-CB 4.23Å; L282-V328 HydrophobicContact CD2-CG1 3.92Å; L292-V328 HydrophobicContact CB-CG1 4.19Å; L292-V328 HydrophobicContact CD1-CG1 3.94Å; V293-V328 HydrophobicContact CG2-CB 4.11Å; V293-V328 HydrophobicContact CG2-CG1 4.45Å; V293-V328 HydrophobicContact CG2-CG2 3.72Å; V319-V328 WeakPolarHBondContact O-CA 3.02Å; V319-V328 PolarHBondContact O-N 3.36Å; V328-Y340 HydrophobicContact CG1-CD2 4.16Å; V328-Y340 HydrophobicContact CG1-CE2 3.82Å; V328-Y340 CarbonylContact O-C 3.56Å; V328-Y340 WeakPolarHBondContact O-CA 3.31Å; V328-Y340 WeakPolarHBondContact O-CD2 3.3Å; V328-N341 PolarHBondContact O-N 2.7Å
329	I	97.3	Very high	94.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.6	171.8	-70.2	179	0	0	0	109.5	F260 L282 L318 V319 I331 L338 K339 Y340	F260-I329 HydrophobicContact CB-CD1 3.82Å; F260-I329 HydrophobicContact CD1-CD1 3.59Å; F260-I329 HydrophobicContact CD2-CD1 3.84Å; F260-I329 HydrophobicContact CE1-CD1 4.04Å; F260-I329 HydrophobicContact CE2-CD1 4.26Å; F260-I329 HydrophobicContact CG-CD1 3.46Å; F260-I329 VanDerWaalsContact CG-CD1 3.46Å; F260-I329 HydrophobicContact CZ-CD1 4.36Å; L282-I329 HydrophobicContact CD1-CD1 3.69Å; L282-I329 HydrophobicContact CD2-CB 4.37Å; L282-I329 HydrophobicContact CD2-CD1 3.61Å; L282-I329 HydrophobicContact CD2-CG1 3.85Å; L282-I329 HydrophobicContact CG-CD1 4.16Å; L318-I329 WeakPolarHBondContact CA-O 3.2Å; V319-I329 HydrophobicContact CB-CB 4.44Å; V319-I329 PolarHBondContact N-O 2.99Å; V319-I329 PolarHBondContact O-N 3.44Å; I329-I331 HydrophobicContact CG2-CG1 4.11Å; I329-L338 HydrophobicContact CD1-CD1 4.43Å; I329-L338 HydrophobicContact CG2-CD1 3.73Å; I329-L338 HydrophobicContact CG2-CG 3.93Å; I329-K339 WeakPolarHBondContact CA-O 3.23Å; I329-Y340 HydrophobicContact CG1-CD2 4.33Å
330	E	97.3	Very high	94.7	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.3	171	164.6	165.8	-172.2	0	0	109.4	K314 L318 P327 L338 K339	K314-E330 WeakPolarHBondContact CE-OE1 3.11Å; K314-E330 WeakPolarHBondContact CE-OE2 3.27Å; K314-E330 IonicContact NZ-OE1 3.67Å; K314-E330 PolarHBondContact NZ-OE1 2.79Å; K314-E330 IonicContact NZ-OE2 2.67Å; K314-E330 PolarHBondContact NZ-OE2 2.77Å; L318-E330 HydrophobicContact CD2-CB 3.59Å; L318-E330 HydrophobicContact CD2-CG 3.38Å; P327-E330 HydrophobicContact CB-CB 4.43Å; P327-E330 HydrophobicContact CG-CB 4.27Å; E330-L338 CarbonylContact O-C 3.49Å; E330-L338 WeakPolarHBondContact O-CA 3.25Å; E330-K339 HydrophobicContact CB-CB 4.31Å; E330-K339 PolarHBondContact N-O 2.89Å; E330-K339 PolarHBondContact O-N 2.9Å
331	I	97.1	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.2	170.5	-55.8	178.7	0	0	0	108	L253 G316 L317 I329 F335 E337 L338 L348	L253-I331 HydrophobicContact CD1-CD1 3.69Å; L253-I331 HydrophobicContact CD2-CD1 3.7Å; L253-I331 HydrophobicContact CG-CD1 4.33Å; G316-I331 CarbonylContact C-O 3.55Å; G316-I331 WeakPolarHBondContact CA-O 3.26Å; L317-I331 HydrophobicContact CB-CB 4.2Å; L317-I331 HydrophobicContact CB-CD1 4.46Å; L317-I331 HydrophobicContact CD2-CD1 4Å; L317-I331 PolarHBondContact N-O 2.8Å; L317-I331 PolarHBondContact O-N 3.1Å; I329-I331 HydrophobicContact CG2-CG1 4.11Å; I331-F335 HydrophobicContact CD1-CE1 3.96Å; I331-F335 HydrophobicContact CD1-CE2 4.05Å; I331-F335 HydrophobicContact CD1-CZ 3.63Å; I331-F335 HydrophobicContact CG2-CB 4.34Å; I331-F335 HydrophobicContact CG2-CD1 4.12Å; I331-F335 HydrophobicContact CG2-CD2 3.82Å; I331-F335 HydrophobicContact CG2-CE1 4.4Å; I331-F335 HydrophobicContact CG2-CE2 4.12Å; I331-F335 HydrophobicContact CG2-CG 3.83Å; I331-F335 HydrophobicContact CG2-CZ 4.41Å; I331-E337 VanDerWaalsContact CA-O 3.27Å; I331-E337 WeakPolarHBondContact CA-O 3.2Å; I331-L338 HydrophobicContact CG1-CD1 4.34Å; I331-L348 HydrophobicContact CD1-CD1 4.28Å; I331-L348 HydrophobicContact CG1-CD1 4.41Å; I331-L348 HydrophobicContact CG2-CD1 3.71Å
332	N	95.1	Very high	94	Very high	37 Å²	37	54 Å²	54	20%	0.198	29%	0.287	C	S	.	.			trans	-64.8	171.8	-179.5	69.2	-15.5	0	0	0	113.4	D334 F335 T336 E337	N332-D334 PolarHBondContact O-N 3.08Å; N332-F335 PolarHBondContact O-N 2.94Å; N332-F335 VanDerWaalsContact O-N 3.11Å; N332-F335 PolarHBondContact OD1-N 3.38Å; N332-F335 VanDerWaalsContact OD1-N 3.17Å; N332-T336 PolarHBondContact ND2-OG1 2.79Å; N332-T336 PolarHBondContact OD1-N 3.4Å; N332-T336 PolarHBondContact OD1-OG1 3.46Å; N332-E337 PolarHBondContact N-O 3.26Å; N332-E337 PolarHBondContact OD1-N 2.58Å; N332-E337 PolarHBondContact OD1-O 3.27Å
333	E	93.7	Very high	93.9	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.5	-177.1	68.4	-175.2	153.5	0	0	113.4	L235 F308 R315 F335	L235-E333 VanDerWaalsContact CD2-O 3.23Å; L235-E333 WeakPolarHBondContact CD2-O 3.25Å; F308-E333 WeakPolarHBondContact CD1-O 3.36Å; R315-E333 HydrophobicContact CB-CB 3.88Å; R315-E333 WeakPolarHBondContact CD-OE2 3.4Å; R315-E333 IonicContact CZ-OE2 2.71Å; R315-E333 IonicContact NE-OE2 3.22Å; R315-E333 IonicContact NH1-OE2 3.09Å; R315-E333 PolarHBondContact NH1-OE2 3.02Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.36Å
334	D	92.1	Very high	93.9	Very high	98 Å²	98	59 Å²	59	52%	0.524	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.5	178.5	-60.5	-46.5	0	0	0	113.7	N332 T336	N332-D334 PolarHBondContact O-N 3.08Å; D334-T336 VanDerWaalsContact C-N 3.31Å; D334-T336 HydrophobicContact CB-CG2 4.07Å; D334-T336 PolarHBondContact O-N 3.19Å
335	F	93.1	Very high	94	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.026	32%	0.321	C	S	.	.	S	Bend	trans	60	36.9	-176.2	-137.3	-83	0	0	0	113.9	L235 L238 L253 F308 L317 I331 N332 E333 L348 I351	L235-F335 HydrophobicContact CB-CB 4.46Å; L235-F335 HydrophobicContact CD1-CB 4.11Å; L235-F335 HydrophobicContact CD1-CD2 4.2Å; L238-F335 HydrophobicContact CD2-CD1 3.84Å; L238-F335 HydrophobicContact CD2-CD2 3.85Å; L238-F335 HydrophobicContact CD2-CE1 3.75Å; L238-F335 HydrophobicContact CD2-CE2 3.75Å; L238-F335 HydrophobicContact CD2-CG 3.89Å; L238-F335 HydrophobicContact CD2-CZ 3.69Å; L253-F335 HydrophobicContact CD2-CE1 4.1Å; L253-F335 HydrophobicContact CD2-CZ 4.32Å; F308-F335 AromaticContact CE1-CD2 3.96Å; F308-F335 HydrophobicContact CE1-CD2 3.96Å; F308-F335 AromaticContact CZ-CD2 4Å; F308-F335 HydrophobicContact CZ-CD2 4Å; F308-F335 HydrophobicContact CZ-CE2 4.17Å; L317-F335 HydrophobicContact CB-CE2 4.13Å; L317-F335 HydrophobicContact CD2-CE2 4.02Å; L317-F335 HydrophobicContact CD2-CZ 4.11Å; I331-F335 HydrophobicContact CD1-CE1 3.96Å; I331-F335 HydrophobicContact CD1-CE2 4.05Å; I331-F335 HydrophobicContact CD1-CZ 3.63Å; I331-F335 HydrophobicContact CG2-CB 4.34Å; I331-F335 HydrophobicContact CG2-CD1 4.12Å; I331-F335 HydrophobicContact CG2-CD2 3.82Å; I331-F335 HydrophobicContact CG2-CE1 4.4Å; I331-F335 HydrophobicContact CG2-CE2 4.12Å; I331-F335 HydrophobicContact CG2-CG 3.83Å; I331-F335 HydrophobicContact CG2-CZ 4.41Å; N332-F335 PolarHBondContact O-N 2.94Å; N332-F335 VanDerWaalsContact O-N 3.11Å; N332-F335 PolarHBondContact OD1-N 3.38Å; N332-F335 VanDerWaalsContact OD1-N 3.17Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.36Å; F335-L348 HydrophobicContact CD1-CD1 4.13Å; F335-L348 HydrophobicContact CE1-CD1 4.42Å; F335-I351 HydrophobicContact CD1-CD1 3.3Å; F335-I351 HydrophobicContact CD1-CG1 4.29Å; F335-I351 HydrophobicContact CE1-CD1 3.4Å; F335-I351 VanDerWaalsContact CE1-CD1 3.4Å; F335-I351 HydrophobicContact CE1-CG1 3.93Å; F335-I351 HydrophobicContact CE1-CG2 4.17Å
336	T	94.5	Very high	94.2	Very high	53 Å²	53	51.9 Å²	51.9	33%	0.325	29%	0.293	S	S	.	.			trans	-117.5	-22.8	-174.9	52.7	0	0	0	0	114.1	N332 D334 L348	N332-T336 PolarHBondContact ND2-OG1 2.79Å; N332-T336 PolarHBondContact OD1-N 3.4Å; N332-T336 PolarHBondContact OD1-OG1 3.46Å; D334-T336 VanDerWaalsContact C-N 3.31Å; D334-T336 HydrophobicContact CB-CG2 4.07Å; D334-T336 PolarHBondContact O-N 3.19Å; T336-L348 PolarHBondContact O-N 2.93Å
337	E	96.2	Very high	94.4	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.5	-178.8	-62.3	-172.9	166.9	0	0	110.9	I331 N332 S345 I346	I331-E337 VanDerWaalsContact CA-O 3.27Å; I331-E337 WeakPolarHBondContact CA-O 3.2Å; N332-E337 PolarHBondContact N-O 3.26Å; N332-E337 PolarHBondContact OD1-N 2.58Å; N332-E337 PolarHBondContact OD1-O 3.27Å; E337-S345 VanDerWaalsContact OE2-CB 3.23Å; E337-S345 WeakPolarHBondContact OE2-CB 3.42Å; E337-S345 PolarHBondContact OE2-OG 3.25Å; E337-I346 CarbonylContact C-O 3.42Å; E337-I346 WeakPolarHBondContact CA-O 3.46Å
338	L	97	Very high	94.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.4	176.4	179.9	148.8	0	0	0	109.8	L253 F260 I329 E330 I331 I346 L348	L253-L338 HydrophobicContact CB-CD1 4.27Å; L253-L338 HydrophobicContact CD1-CD1 4.19Å; F260-L338 HydrophobicContact CD2-CD1 4.01Å; F260-L338 HydrophobicContact CD2-CD2 4.42Å; F260-L338 HydrophobicContact CE2-CD1 4.24Å; F260-L338 HydrophobicContact CE2-CD2 3.82Å; I329-L338 HydrophobicContact CD1-CD1 4.43Å; I329-L338 HydrophobicContact CG2-CD1 3.73Å; I329-L338 HydrophobicContact CG2-CG 3.93Å; E330-L338 CarbonylContact O-C 3.49Å; E330-L338 WeakPolarHBondContact O-CA 3.25Å; I331-L338 HydrophobicContact CG1-CD1 4.34Å; L338-I346 PolarHBondContact N-O 2.92Å; L338-I346 PolarHBondContact O-N 2.77Å; L338-L348 HydrophobicContact CB-CD2 3.89Å; L338-L348 HydrophobicContact CB-CG 4.01Å; L338-L348 HydrophobicContact CD1-CD2 3.97Å
339	K	96.8	Very high	94.4	Very high	80 Å²	80	61.1 Å²	61.1	35%	0.348	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.2	166.4	-67.9	178.8	-177.3	175.1	0	109.2	I329 E330 S345	I329-K339 WeakPolarHBondContact CA-O 3.23Å; E330-K339 HydrophobicContact CB-CB 4.31Å; E330-K339 PolarHBondContact N-O 2.89Å; E330-K339 PolarHBondContact O-N 2.9Å; K339-S345 WeakPolarHBondContact CE-OG 3.14Å
340	Y	95.2	Very high	94.4	Very high	43 Å²	43	61.6 Å²	61.6	17%	0.169	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128	175.3	174.6	-131.2	0	0	0	109.8	F258 F260 Q284 L292 V328 I329 S342 G343	F258-Y340 HydrophobicContact CE1-CD1 4.36Å; F258-Y340 HydrophobicContact CE1-CE1 4.4Å; F260-Y340 HydrophobicContact CE1-CD2 4.03Å; F260-Y340 HydrophobicContact CE1-CE2 4.08Å; F260-Y340 HydrophobicContact CE1-CG 4.35Å; F260-Y340 HydrophobicContact CZ-CD1 4.12Å; F260-Y340 AromaticContact CZ-CD2 3.92Å; F260-Y340 HydrophobicContact CZ-CD2 3.92Å; F260-Y340 HydrophobicContact CZ-CE1 4.5Å; F260-Y340 HydrophobicContact CZ-CE2 4.36Å; F260-Y340 AromaticContact CZ-CG 3.81Å; F260-Y340 HydrophobicContact CZ-CG 3.81Å; Q284-Y340 PolarHBondContact OE1-OH 2.89Å; Q284-Y340 VanDerWaalsContact OE1-OH 3.14Å; L292-Y340 HydrophobicContact CD1-CE2 3.77Å; L292-Y340 HydrophobicContact CD2-CE2 4.45Å; L292-Y340 WeakPolarHBondContact CD2-OH 3.36Å; V328-Y340 HydrophobicContact CG1-CD2 4.16Å; V328-Y340 HydrophobicContact CG1-CE2 3.82Å; V328-Y340 CarbonylContact O-C 3.56Å; V328-Y340 WeakPolarHBondContact O-CA 3.31Å; V328-Y340 WeakPolarHBondContact O-CD2 3.3Å; I329-Y340 HydrophobicContact CG1-CD2 4.33Å; Y340-S342 VanDerWaalsContact C-N 3.32Å; Y340-S342 PolarHBondContact O-N 3.13Å; Y340-G343 PolarHBondContact O-N 3.24Å
341	N	90.7	Very high	94.4	Very high	97 Å²	97	59.5 Å²	59.5	52%	0.519	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	44.8	-179.4	-71.7	-25	0	0	0	114.4	V328 G343	V328-N341 PolarHBondContact O-N 2.7Å; N341-G343 PolarHBondContact O-N 3.15Å; N341-G343 VanDerWaalsContact O-N 3.09Å
342	S	84.9	Confident	94.4	Very high	106 Å²	106	59.5 Å²	59.5	74%	0.741	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	18.1	-175.8	-53.4	0	0	0	0	114.9	Y340	Y340-S342 VanDerWaalsContact C-N 3.32Å; Y340-S342 PolarHBondContact O-N 3.13Å
343	G	90.2	Very high	94.5	Very high	40 Å²	40	57.7 Å²	57.7	41%	0.412	31%	0.306	S	S	.	.			trans	-74.4	-165.1	175.2	0	0	0	0	0	113.5	Y340 N341	Y340-G343 PolarHBondContact O-N 3.24Å; N341-G343 PolarHBondContact O-N 3.15Å; N341-G343 VanDerWaalsContact O-N 3.09Å
344	L	92.2	Very high	94.7	Very high	156 Å²	156	54.4 Å²	54.4	82%	0.817	29%	0.29	S	S	*	.			trans	-65.4	145.8	177.4	-64.4	172	0	0	0	111.3	I346	L344-I346 PolarHBondContact O-N 2.83Å
345	S	94.6	Very high	95	Very high	51 Å²	51	49.9 Å²	49.9	36%	0.357	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	131.4	169.4	-74.9	0	0	0	0	110.4	E337 K339	E337-S345 VanDerWaalsContact OE2-CB 3.23Å; E337-S345 WeakPolarHBondContact OE2-CB 3.42Å; E337-S345 PolarHBondContact OE2-OG 3.25Å; K339-S345 WeakPolarHBondContact CE-OG 3.14Å
346	I	96.6	Very high	95.1	Very high	20 Å²	20	49.6 Å²	49.6	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.2	176.2	-50.3	177.4	0	0	0	107.7	A255 K256 F258 E337 L338 L344 L348	A255-I346 HydrophobicContact CB-CB 4.25Å; A255-I346 HydrophobicContact CB-CG2 3.77Å; K256-I346 HydrophobicContact CB-CG2 4.16Å; K256-I346 HydrophobicContact CD-CG2 3.66Å; K256-I346 HydrophobicContact CG-CG2 3.55Å; F258-I346 HydrophobicContact CD2-CD1 3.91Å; F258-I346 HydrophobicContact CE2-CD1 3.94Å; E337-I346 CarbonylContact C-O 3.42Å; E337-I346 WeakPolarHBondContact CA-O 3.46Å; L338-I346 PolarHBondContact N-O 2.92Å; L338-I346 PolarHBondContact O-N 2.77Å; L344-I346 PolarHBondContact O-N 2.83Å; I346-L348 PolarHBondContact O-N 2.98Å
347	R	96.5	Very high	95	Very high	192 Å²	192	47.3 Å²	47.3	73%	0.725	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.6	175	-176.8	174.9	178.2	177.6	1	110.6	N349	R347-N349 PolarHBondContact O-N 3.28Å; R347-N349 PolarHBondContact O-OD1 3.11Å
348	L	96.4	Very high	94.7	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.241	C	C	.	.			trans	-69.8	124.9	168.3	-75.3	166.7	0	0	0	109.1	M233 L253 A255 I331 F335 T336 L338 I346	M233-L348 HydrophobicContact CE-CB 3.89Å; L253-L348 HydrophobicContact CB-CD2 4.24Å; L253-L348 HydrophobicContact CD2-CD2 4.42Å; A255-L348 HydrophobicContact CB-CD2 4.31Å; I331-L348 HydrophobicContact CD1-CD1 4.28Å; I331-L348 HydrophobicContact CG1-CD1 4.41Å; I331-L348 HydrophobicContact CG2-CD1 3.71Å; F335-L348 HydrophobicContact CD1-CD1 4.13Å; F335-L348 HydrophobicContact CE1-CD1 4.42Å; T336-L348 PolarHBondContact O-N 2.93Å; L338-L348 HydrophobicContact CB-CD2 3.89Å; L338-L348 HydrophobicContact CB-CG 4.01Å; L338-L348 HydrophobicContact CD1-CD2 3.97Å; I346-L348 PolarHBondContact O-N 2.98Å
349	N	95.4	Very high	94.3	Very high	90 Å²	90	48.7 Å²	48.7	48%	0.481	27%	0.271	S	S	.	.			trans	-94.2	-38.6	-179.7	-69	98.7	0	0	0	112.1	K254 K256 R347	K254-N349 HydrophobicContact CG-CB 4.49Å; K254-N349 PolarHBondContact O-N 3.45Å; K256-N349 PolarHBondContact N-OD1 3.24Å; R347-N349 PolarHBondContact O-N 3.28Å; R347-N349 PolarHBondContact O-OD1 3.11Å
350	A	96.6	Very high	94.1	Very high	12 Å²	12	49.6 Å²	49.6	10%	0.099	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	150.3	179.1	0	0	0	0	0	111.1	I183 S228 K254	I183-A350 HydrophobicContact CD1-CB 3.9Å; I183-A350 HydrophobicContact CG1-CB 4.3Å; S228-A350 VanDerWaalsContact OG-CA 3.27Å; S228-A350 WeakPolarHBondContact OG-CA 3.28Å; K254-A350 HydrophobicContact CB-CB 4.09Å; K254-A350 PolarHBondContact N-O 3.01Å; K254-A350 PolarHBondContact O-N 3.06Å
351	I	97.3	Very high	94	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.3	177.4	-58.2	150.3	0	0	0	107.6	Y226 S228 M233 F252 L253 F335 V353	Y226-I351 HydrophobicContact CD1-CB 4.48Å; Y226-I351 HydrophobicContact CD1-CG2 4.15Å; Y226-I351 HydrophobicContact CE1-CB 4.04Å; Y226-I351 HydrophobicContact CE1-CG2 4.08Å; S228-I351 PolarHBondContact N-O 3.43Å; S228-I351 PolarHBondContact OG-N 2.85Å; S228-I351 PolarHBondContact OG-O 3.17Å; M233-I351 HydrophobicContact CE-CD1 3.45Å; M233-I351 VanDerWaalsContact CE-CD1 3.45Å; M233-I351 HydrophobicContact CE-CG1 4.28Å; M233-I351 HydrophobicContact SD-CD1 3.62Å; M233-I351 HydrophobicContact SD-CG1 4.26Å; F252-I351 WeakPolarHBondContact O-CA 3.26Å; L253-I351 HydrophobicContact CD2-CG1 4.18Å; L253-I351 HydrophobicContact CD2-CG2 4.28Å; F335-I351 HydrophobicContact CD1-CD1 3.3Å; F335-I351 HydrophobicContact CD1-CG1 4.29Å; F335-I351 HydrophobicContact CE1-CD1 3.4Å; F335-I351 VanDerWaalsContact CE1-CD1 3.4Å; F335-I351 HydrophobicContact CE1-CG1 3.93Å; F335-I351 HydrophobicContact CE1-CG2 4.17Å; I351-V353 HydrophobicContact CG2-CG2 4.25Å
352	E	97.7	Very high	94.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.6	175.9	-160.8	172.8	114.5	0	0	109.4	G181 T182 I183 L184 Y226 D227 V251 F252 W354	G181-E352 WeakPolarHBondContact CA-OE1 3.33Å; T182-E352 PolarHBondContact N-OE2 3Å; I183-E352 HydrophobicContact CB-CB 4.35Å; I183-E352 WeakPolarHBondContact CB-OE2 3.35Å; I183-E352 HydrophobicContact CD1-CB 4.01Å; I183-E352 HydrophobicContact CG1-CB 4.34Å; I183-E352 PolarHBondContact N-OE2 2.99Å; L184-E352 WeakPolarHBondContact CB-OE1 3.35Å; L184-E352 PolarHBondContact N-OE1 3.45Å; L184-E352 VanDerWaalsContact N-OE1 3.15Å; Y226-E352 CarbonylContact O-C 3.56Å; Y226-E352 VanDerWaalsContact O-CA 3.3Å; Y226-E352 WeakPolarHBondContact O-CA 3.28Å; D227-E352 HydrophobicContact CB-CG 4.41Å; V251-E352 CarbonylContact C-O 3.57Å; V251-E352 WeakPolarHBondContact CA-O 3.03Å; F252-E352 HydrophobicContact CB-CB 4.15Å; F252-E352 HydrophobicContact CD2-CB 4.32Å; F252-E352 PolarHBondContact N-O 3.5Å; F252-E352 PolarHBondContact O-N 2.82Å; F252-E352 VanDerWaalsContact O-N 3.14Å; E352-W354 VanDerWaalsContact OE1-CZ2 3.25Å; E352-W354 WeakPolarHBondContact OE1-CZ2 3.26Å; E352-W354 PolarHBondContact OE1-NE1 2.82Å
353	V	97.9	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	-177.4	-174.6	0	0	0	0	109.7	L225 Y226 L238 V242 M249 I250 V251 I351	L225-V353 PolarHBondContact N-O 3.45Å; Y226-V353 PolarHBondContact N-O 2.88Å; Y226-V353 PolarHBondContact O-N 3.42Å; L238-V353 HydrophobicContact CD1-CG2 4.11Å; V242-V353 HydrophobicContact CG1-CG1 3.79Å; V242-V353 HydrophobicContact CG2-CB 4.09Å; V242-V353 HydrophobicContact CG2-CG1 4.12Å; V242-V353 HydrophobicContact CG2-CG2 4.23Å; M249-V353 HydrophobicContact CE-CG1 4.24Å; M249-V353 HydrophobicContact SD-CG1 4.14Å; I250-V353 CarbonylContact O-C 3.57Å; I250-V353 WeakPolarHBondContact O-CA 2.98Å; V251-V353 HydrophobicContact CG1-CG2 4.21Å; V251-V353 HydrophobicContact CG2-CG1 4.01Å; V251-V353 HydrophobicContact CG2-CG2 4.19Å; I351-V353 HydrophobicContact CG2-CG2 4.25Å
354	W	97.8	Very high	94.7	Very high	9 Å²	9	47.8 Å²	47.8	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.8	178.8	-63.1	80.1	0	0	0	111.2	L179 L184 L222 H223 C224 M249 I250 F252 E352	L179-W354 HydrophobicContact CB-CH2 3.99Å; L179-W354 HydrophobicContact CB-CZ3 4.14Å; L179-W354 HydrophobicContact CD1-CZ3 4.27Å; L179-W354 HydrophobicContact CD2-CZ3 4.24Å; L179-W354 HydrophobicContact CG-CZ3 4.47Å; L184-W354 HydrophobicContact CB-CZ2 3.95Å; L184-W354 HydrophobicContact CD2-CD2 3.83Å; L184-W354 VanDerWaalsContact CD2-CE2 3.47Å; L184-W354 HydrophobicContact CD2-CE3 4.29Å; L184-W354 HydrophobicContact CD2-CG 4.32Å; L184-W354 HydrophobicContact CD2-CH2 4.18Å; L184-W354 HydrophobicContact CD2-CZ2 3.69Å; L184-W354 HydrophobicContact CD2-CZ3 4.45Å; L184-W354 HydrophobicContact CG-CZ2 4.4Å; L222-W354 HydrophobicContact CB-CE3 3.87Å; H223-W354 VanDerWaalsContact C-CE3 3.49Å; H223-W354 CarbonylContact O-C 3.55Å; H223-W354 WeakPolarHBondContact O-CA 3.27Å; C224-W354 HydrophobicContact CB-CD2 4.07Å; C224-W354 HydrophobicContact CB-CE3 3.88Å; C224-W354 HydrophobicContact CB-CH2 3.75Å; C224-W354 HydrophobicContact CB-CZ2 3.93Å; C224-W354 HydrophobicContact CB-CZ3 3.73Å; C224-W354 VanDerWaalsContact N-CE3 3.25Å; M249-W354 CarbonylContact C-O 3.6Å; M249-W354 WeakPolarHBondContact CA-O 3.29Å; M249-W354 VanDerWaalsContact CB-O 3.31Å; M249-W354 WeakPolarHBondContact CB-O 3.38Å; I250-W354 HydrophobicContact CB-CB 4.27Å; I250-W354 PolarHBondContact N-O 2.98Å; I250-W354 PolarHBondContact O-N 3.35Å; F252-W354 AromaticContact CE2-CD1 3.93Å; E352-W354 VanDerWaalsContact OE1-CZ2 3.25Å; E352-W354 WeakPolarHBondContact OE1-CZ2 3.26Å; E352-W354 PolarHBondContact OE1-NE1 2.82Å
355	A	97.1	Very high	94.8	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.7	165.5	0	0	0	0	0	110.2	L222 H223 L225 Y245 M362	L222-A355 WeakPolarHBondContact CA-O 3.44Å; L222-A355 WeakPolarHBondContact CD2-O 3.34Å; H223-A355 HydrophobicContact CB-CB 4.33Å; H223-A355 PolarHBondContact N-O 3.48Å; H223-A355 VanDerWaalsContact N-O 3.09Å; H223-A355 PolarHBondContact O-N 3.29Å; L225-A355 HydrophobicContact CD1-CB 3.93Å; L225-A355 HydrophobicContact CD2-CB 4.06Å; L225-A355 HydrophobicContact CG-CB 3.86Å; Y245-A355 HydrophobicContact CD2-CB 4.37Å; Y245-A355 HydrophobicContact CE1-CB 3.9Å; Y245-A355 HydrophobicContact CE2-CB 3.73Å; Y245-A355 VanDerWaalsContact CZ-CB 3.44Å; Y245-A355 WeakPolarHBondContact OH-CB 3.39Å; A355-M362 HydrophobicContact CB-SD 3.65Å
356	A	96	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.			trans	-122.9	-3.6	177.6	0	0	0	0	0	113.9	Y200 R202 H221 L222 P248	Y200-A356 HydrophobicContact CD1-CB 3.97Å; R202-A356 PolarHBondContact NE-O 3.45Å; R202-A356 VanDerWaalsContact NE-O 3.08Å; R202-A356 PolarHBondContact NH2-O 3.29Å; H221-A356 PolarHBondContact NE2-O 2.94Å; L222-A356 HydrophobicContact CD2-CB 3.38Å; P248-A356 HydrophobicContact CB-CB 4.45Å; P248-A356 WeakPolarHBondContact O-CA 3.44Å; P248-A356 PolarHBondContact O-N 2.84Å
357	G	92.6	Very high	94.6	Very high	6 Å²	6	48.2 Å²	48.2	6%	0.062	25%	0.248	C	C	.	.	S	Bend	trans	-65.1	176.4	171.8	0	0	0	0	0	114.3	R202 Y245 P248	R202-G357 VanDerWaalsContact CZ-O 3.31Å; R202-G357 PolarHBondContact NE-O 3.01Å; R202-G357 VanDerWaalsContact NE-O 3.16Å; R202-G357 PolarHBondContact NH2-O 2.85Å; Y245-G357 WeakPolarHBondContact OH-CA 3.47Å; Y245-G357 PolarHBondContact OH-N 2.88Å; P248-G357 PolarHBondContact O-N 3.32Å
358	S	89.7	Confident	94.4	Very high	20 Å²	20	42.4 Å²	42.4	14%	0.14	23%	0.229	C	C	.	.			trans	-71.1	167.3	-177	58.6	0	0	0	0	111.7	D360 H361 M362	S358-D360 PolarHBondContact O-N 2.71Å; S358-D360 VanDerWaalsContact O-N 3.12Å; S358-D360 WeakPolarHBondContact OG-CB 3.35Å; S358-D360 PolarHBondContact OG-N 2.69Å; S358-H361 WeakPolarHBondContact O-CB 3.18Å; S358-H361 PolarHBondContact O-N 3.33Å; S358-H361 PolarHBondContact OG-CD2 3Å; S358-M362 PolarHBondContact O-N 3.48Å
359	S	88.7	Confident	94.1	Very high	92 Å²	92	44.6 Å²	44.6	64%	0.643	24%	0.238	S	C	*	.	H	α-helix	trans	-48.2	-33.6	164.6	50.1	0	0	0	0	112.2	H361 M362 S363	S359-H361 PolarHBondContact O-N 3.06Å; S359-M362 PolarHBondContact O-N 2.82Å; S359-S363 WeakPolarHBondContact O-CB 3.41Å; S359-S363 PolarHBondContact O-N 2.89Å
360	D	92.8	Very high	94	Very high	100 Å²	100	46.9 Å²	46.9	54%	0.535	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-36	178.1	-49.4	-28.5	0	0	0	112.8	S358 K364	S358-D360 PolarHBondContact O-N 2.71Å; S358-D360 VanDerWaalsContact O-N 3.12Å; S358-D360 WeakPolarHBondContact OG-CB 3.35Å; S358-D360 PolarHBondContact OG-N 2.69Å; D360-K364 WeakPolarHBondContact O-CB 3.31Å; D360-K364 VanDerWaalsContact O-CG 3.25Å; D360-K364 WeakPolarHBondContact O-CG 3.45Å; D360-K364 PolarHBondContact O-N 3.37Å; D360-K364 VanDerWaalsContact O-N 3.14Å
361	H	92.5	Very high	93.8	Very high	48 Å²	48	53.8 Å²	53.8	22%	0.222	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-40.1	175.5	-74.1	-79.6	0	0	0	110.9	Y245 N246 G247 S358 S359 L365	Y245-H361 HydrophobicContact CE2-CB 3.7Å; N246-H361 PolarHBondContact OD1-ND1 3.47Å; G247-H361 WeakPolarHBondContact CA-ND1 3.29Å; G247-H361 PolarHBondContact N-ND1 3.5Å; S358-H361 WeakPolarHBondContact O-CB 3.18Å; S358-H361 PolarHBondContact O-N 3.33Å; S358-H361 PolarHBondContact OG-CD2 3Å; S359-H361 PolarHBondContact O-N 3.06Å; H361-L365 PolarHBondContact O-N 3.4Å; H361-L365 VanDerWaalsContact O-N 3.1Å
362	M	92.8	Very high	93.5	Very high	27 Å²	27	56.4 Å²	56.4	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-46.6	176.9	-68.5	-55.6	-60.3	0	0	111.8	H223 L225 Y245 A355 S358 S359 K364 L365 E366	H223-M362 HydrophobicContact CB-CE 4.06Å; H223-M362 HydrophobicContact CB-SD 4.33Å; L225-M362 HydrophobicContact CD2-CE 4.19Å; L225-M362 HydrophobicContact CD2-SD 4.4Å; Y245-M362 HydrophobicContact CD2-SD 4.26Å; Y245-M362 HydrophobicContact CE2-SD 3.68Å; A355-M362 HydrophobicContact CB-SD 3.65Å; S358-M362 PolarHBondContact O-N 3.48Å; S359-M362 PolarHBondContact O-N 2.82Å; M362-K364 VanDerWaalsContact C-N 3.3Å; M362-K364 PolarHBondContact O-N 2.75Å; M362-L365 WeakPolarHBondContact O-CB 3.44Å; M362-L365 PolarHBondContact O-N 2.71Å; M362-L365 VanDerWaalsContact O-N 3.08Å; M362-E366 WeakPolarHBondContact O-CG 3.31Å; M362-E366 PolarHBondContact O-N 2.95Å
363	S	93.7	Very high	93.1	Very high	55 Å²	55	60 Å²	60	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-41.3	176.9	171.3	0	0	0	0	111.9	S359 L365 E366 D367	S359-S363 WeakPolarHBondContact O-CB 3.41Å; S359-S363 PolarHBondContact O-N 2.89Å; S363-L365 PolarHBondContact O-N 2.82Å; S363-E366 PolarHBondContact O-N 3.13Å; S363-D367 WeakPolarHBondContact O-CB 3.46Å; S363-D367 VanDerWaalsContact O-CG 3.3Å; S363-D367 PolarHBondContact O-N 2.86Å
364	K	94.1	Very high	92.8	Very high	118 Å²	118	63.5 Å²	63.5	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174.6	-74.5	172	-174.3	174.4	0	112.7	D360 M362 Q368	D360-K364 WeakPolarHBondContact O-CB 3.31Å; D360-K364 VanDerWaalsContact O-CG 3.25Å; D360-K364 WeakPolarHBondContact O-CG 3.45Å; D360-K364 PolarHBondContact O-N 3.37Å; D360-K364 VanDerWaalsContact O-N 3.14Å; M362-K364 VanDerWaalsContact C-N 3.3Å; M362-K364 PolarHBondContact O-N 2.75Å; K364-Q368 WeakPolarHBondContact O-CB 3.23Å; K364-Q368 PolarHBondContact O-N 3.42Å
365	L	93.8	Very high	92.4	Very high	15 Å²	15	66.3 Å²	66.3	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-45.8	176.1	178.8	65.8	0	0	0	110.9	L225 D244 Y245 H361 M362 S363 Q368 K369	L225-L365 HydrophobicContact CD2-CD2 3.72Å; D244-L365 HydrophobicContact CB-CD1 3.77Å; Y245-L365 HydrophobicContact CD2-CB 4.44Å; Y245-L365 HydrophobicContact CD2-CD2 4Å; H361-L365 PolarHBondContact O-N 3.4Å; H361-L365 VanDerWaalsContact O-N 3.1Å; M362-L365 WeakPolarHBondContact O-CB 3.44Å; M362-L365 PolarHBondContact O-N 2.71Å; M362-L365 VanDerWaalsContact O-N 3.08Å; S363-L365 PolarHBondContact O-N 2.82Å; L365-Q368 PolarHBondContact O-N 2.77Å; L365-K369 HydrophobicContact CD1-CG 4.26Å; L365-K369 HydrophobicContact CG-CG 4.45Å; L365-K369 VanDerWaalsContact O-CG 3.29Å; L365-K369 WeakPolarHBondContact O-CG 3.46Å; L365-K369 PolarHBondContact O-N 3.32Å
366	E	93	Very high	92	Very high	121 Å²	121	70 Å²	70	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-60.4	-46.3	177.5	-72.3	172.6	-175.6	0	0	112	M362 S363 Q368 K369 K370	M362-E366 WeakPolarHBondContact O-CG 3.31Å; M362-E366 PolarHBondContact O-N 2.95Å; S363-E366 PolarHBondContact O-N 3.13Å; E366-Q368 VanDerWaalsContact C-N 3.32Å; E366-Q368 PolarHBondContact O-N 2.89Å; E366-K369 PolarHBondContact O-N 3.18Å; E366-K370 VanDerWaalsContact O-CB 3.31Å; E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 PolarHBondContact O-N 2.96Å
367	D	94.2	Very high	91.6	Very high	100 Å²	100	72 Å²	72	54%	0.535	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-43	176.4	-75.5	-23	0	0	0	111.5	S363 W371	S363-D367 WeakPolarHBondContact O-CB 3.46Å; S363-D367 VanDerWaalsContact O-CG 3.3Å; S363-D367 PolarHBondContact O-N 2.86Å; D367-W371 WeakPolarHBondContact O-CB 3.35Å; D367-W371 PolarHBondContact O-N 3.08Å
368	Q	91.6	Very high	91.3	Very high	69 Å²	69	76.5 Å²	76.5	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-47.3	176.7	-177.3	176	-14.4	0	0	111.5	D244 K364 L365 E366 K370 W371 E372	D244-Q368 PolarHBondContact OD1-NE2 2.98Å; K364-Q368 WeakPolarHBondContact O-CB 3.23Å; K364-Q368 PolarHBondContact O-N 3.42Å; L365-Q368 PolarHBondContact O-N 2.77Å; E366-Q368 VanDerWaalsContact C-N 3.32Å; E366-Q368 PolarHBondContact O-N 2.89Å; Q368-K370 VanDerWaalsContact C-N 3.33Å; Q368-K370 PolarHBondContact O-N 3.43Å; Q368-W371 WeakPolarHBondContact O-CB 3.48Å; Q368-W371 PolarHBondContact O-N 3.45Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.37Å; Q368-E372 PolarHBondContact NE2-OE1 3.22Å; Q368-E372 WeakPolarHBondContact O-CG 3.16Å; Q368-E372 PolarHBondContact O-N 3.09Å
369	K	91.6	Very high	91	Very high	50 Å²	50	77.8 Å²	77.8	22%	0.217	41%	0.406	C	S	.	.	H	α-helix	trans	-64	-38.8	179.6	-69.4	-70.3	151.5	-153	0	112.2	E240 D244 L365 E366 E372 S373	E240-K369 WeakPolarHBondContact O-CE 3.39Å; E240-K369 PolarHBondContact O-NZ 3.43Å; D244-K369 WeakPolarHBondContact OD2-CE 3.49Å; D244-K369 IonicContact OD2-NZ 2.82Å; D244-K369 PolarHBondContact OD2-NZ 3.04Å; L365-K369 HydrophobicContact CD1-CG 4.26Å; L365-K369 HydrophobicContact CG-CG 4.45Å; L365-K369 VanDerWaalsContact O-CG 3.29Å; L365-K369 WeakPolarHBondContact O-CG 3.46Å; L365-K369 PolarHBondContact O-N 3.32Å; E366-K369 PolarHBondContact O-N 3.18Å; K369-E372 IonicContact NZ-OE1 2.77Å; K369-E372 IonicContact NZ-OE2 3.87Å; K369-E372 PolarHBondContact NZ-OE2 2.83Å; K369-E372 PolarHBondContact O-N 3.45Å; K369-S373 WeakPolarHBondContact O-CB 3.38Å; K369-S373 PolarHBondContact O-N 3.18Å
370	K	92.9	Very high	90.5	Very high	139 Å²	139	80.1 Å²	80.1	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-46.6	173.2	-175.2	177	179.6	179.8	0	111.1	E366 Q368 E372 S373 D374	E366-K370 VanDerWaalsContact O-CB 3.31Å; E366-K370 WeakPolarHBondContact O-CB 3.45Å; E366-K370 PolarHBondContact O-N 2.96Å; Q368-K370 VanDerWaalsContact C-N 3.33Å; Q368-K370 PolarHBondContact O-N 3.43Å; K370-E372 PolarHBondContact O-N 3.29Å; K370-S373 PolarHBondContact O-N 2.97Å; K370-D374 VanDerWaalsContact O-CG 3.32Å; K370-D374 PolarHBondContact O-N 3.31Å
371	W	92.7	Very high	89.7	Confident	157 Å²	157	81.4 Å²	81.4	60%	0.595	41%	0.407	S	S	*	.	H	α-helix	trans	-59.8	-43.9	176.7	179.7	92.4	0	0	0	112.1	D367 Q368 D374 Q375	D367-W371 WeakPolarHBondContact O-CB 3.35Å; D367-W371 PolarHBondContact O-N 3.08Å; Q368-W371 WeakPolarHBondContact O-CB 3.48Å; Q368-W371 PolarHBondContact O-N 3.45Å; W371-D374 PolarHBondContact O-N 2.82Å; W371-Q375 HydrophobicContact CD2-CG 4Å; W371-Q375 HydrophobicContact CE3-CG 4.1Å; W371-Q375 HydrophobicContact CH2-CG 3.82Å; W371-Q375 HydrophobicContact CZ2-CG 3.71Å; W371-Q375 HydrophobicContact CZ3-CG 4.01Å; W371-Q375 WeakPolarHBondContact O-CG 3.37Å; W371-Q375 PolarHBondContact O-N 3Å
372	E	89.7	Confident	88.5	Confident	56 Å²	56	88.2 Å²	88.2	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-60.6	-46.4	176.5	-73.7	169.4	-174.6	0	0	111.8	Q368 K369 K370 D374 Q375 V376	Q368-E372 WeakPolarHBondContact CG-OE1 3.37Å; Q368-E372 PolarHBondContact NE2-OE1 3.22Å; Q368-E372 WeakPolarHBondContact O-CG 3.16Å; Q368-E372 PolarHBondContact O-N 3.09Å; K369-E372 IonicContact NZ-OE1 2.77Å; K369-E372 IonicContact NZ-OE2 3.87Å; K369-E372 PolarHBondContact NZ-OE2 2.83Å; K369-E372 PolarHBondContact O-N 3.45Å; K370-E372 PolarHBondContact O-N 3.29Å; E372-D374 VanDerWaalsContact C-N 3.33Å; E372-D374 PolarHBondContact O-N 3.19Å; E372-Q375 PolarHBondContact O-N 3.44Å; E372-V376 WeakPolarHBondContact O-CG2 3.34Å; E372-V376 PolarHBondContact O-N 2.98Å
373	S	89.9	Confident	86.9	Confident	76 Å²	76	95.4 Å²	95.4	53%	0.531	46%	0.461	S	S	.	.	H	α-helix	trans	-58.6	-44.7	176.1	-172.6	0	0	0	0	111.8	K369 K370 Q375 V376 A377	K369-S373 WeakPolarHBondContact O-CB 3.38Å; K369-S373 PolarHBondContact O-N 3.18Å; K370-S373 PolarHBondContact O-N 2.97Å; S373-Q375 VanDerWaalsContact C-N 3.33Å; S373-Q375 PolarHBondContact O-N 3.22Å; S373-V376 PolarHBondContact O-N 2.92Å; S373-A377 PolarHBondContact O-N 3.42Å
374	D	92.7	Very high	85.2	Confident	73 Å²	73	99.8 Å²	99.8	39%	0.39	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-37.6	177.2	-71.1	-15.2	0	0	0	111.9	K370 W371 E372 A377 K378	K370-D374 VanDerWaalsContact O-CG 3.32Å; K370-D374 PolarHBondContact O-N 3.31Å; W371-D374 PolarHBondContact O-N 2.82Å; E372-D374 VanDerWaalsContact C-N 3.33Å; E372-D374 PolarHBondContact O-N 3.19Å; D374-A377 PolarHBondContact O-N 2.97Å; D374-K378 WeakPolarHBondContact O-CB 3.23Å; D374-K378 VanDerWaalsContact O-CG 3.23Å; D374-K378 WeakPolarHBondContact O-CG 3.42Å; D374-K378 PolarHBondContact O-N 3.5Å
375	Q	89.4	Confident	83.4	Confident	68 Å²	68	101.8 Å²	101.8	32%	0.318	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-40.8	174.8	-67.2	-50.4	-46.1	0	0	111.9	W371 E372 S373 K378 A379	W371-Q375 HydrophobicContact CD2-CG 4Å; W371-Q375 HydrophobicContact CE3-CG 4.1Å; W371-Q375 HydrophobicContact CH2-CG 3.82Å; W371-Q375 HydrophobicContact CZ2-CG 3.71Å; W371-Q375 HydrophobicContact CZ3-CG 4.01Å; W371-Q375 WeakPolarHBondContact O-CG 3.37Å; W371-Q375 PolarHBondContact O-N 3Å; E372-Q375 PolarHBondContact O-N 3.44Å; S373-Q375 VanDerWaalsContact C-N 3.33Å; S373-Q375 PolarHBondContact O-N 3.22Å; Q375-K378 PolarHBondContact O-N 2.87Å; Q375-A379 VanDerWaalsContact O-CB 3.31Å; Q375-A379 WeakPolarHBondContact O-CB 3.43Å; Q375-A379 PolarHBondContact O-N 3.42Å
376	V	87.9	Confident	81.6	Confident	79 Å²	79	104.6 Å²	104.6	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-43.1	176.1	172.3	0	0	0	0	110.7	E372 S373 A379 K380	E372-V376 WeakPolarHBondContact O-CG2 3.34Å; E372-V376 PolarHBondContact O-N 2.98Å; S373-V376 PolarHBondContact O-N 2.92Å; V376-A379 PolarHBondContact O-N 2.97Å; V376-K380 HydrophobicContact CG1-CD 4.33Å; V376-K380 WeakPolarHBondContact O-CG 3.38Å; V376-K380 PolarHBondContact O-N 2.93Å
377	A	87.1	Confident	80.1	Confident	44 Å²	44	107.7 Å²	107.7	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-60.3	-49.5	175.3	0	0	0	0	0	111.5	S373 D374 A379 K380 E381	S373-A377 PolarHBondContact O-N 3.42Å; D374-A377 PolarHBondContact O-N 2.97Å; A377-A379 VanDerWaalsContact C-N 3.3Å; A377-A379 PolarHBondContact O-N 3.14Å; A377-K380 WeakPolarHBondContact O-CB 3.48Å; A377-K380 PolarHBondContact O-N 3.3Å; A377-K380 VanDerWaalsContact O-N 3.14Å; A377-E381 PolarHBondContact O-N 3.33Å
378	K	87.5	Confident	78.7	Confident	99 Å²	99	106 Å²	106	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-58.4	-39.9	175.1	-73.5	169	-174.9	169.3	0	112.5	D374 Q375 E381 R382	D374-K378 WeakPolarHBondContact O-CB 3.23Å; D374-K378 VanDerWaalsContact O-CG 3.23Å; D374-K378 WeakPolarHBondContact O-CG 3.42Å; D374-K378 PolarHBondContact O-N 3.5Å; Q375-K378 PolarHBondContact O-N 2.87Å; K378-E381 PolarHBondContact O-N 3.03Å; K378-R382 WeakPolarHBondContact O-CG 3.31Å; K378-R382 PolarHBondContact O-N 3.46Å
379	A	82.2	Confident	77.7	Confident	48 Å²	48	108.9 Å²	108.9	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-36.7	177.9	0	0	0	0	0	112.3	Q375 V376 A377 K383	Q375-A379 VanDerWaalsContact O-CB 3.31Å; Q375-A379 WeakPolarHBondContact O-CB 3.43Å; Q375-A379 PolarHBondContact O-N 3.42Å; V376-A379 PolarHBondContact O-N 2.97Å; A377-A379 VanDerWaalsContact C-N 3.3Å; A377-A379 PolarHBondContact O-N 3.14Å; A379-K383 PolarHBondContact O-N 3.43Å
380	K	79.5	Confident	76.6	Confident	140 Å²	140	112.1 Å²	112.1	61%	0.609	54%	0.535	S	S	*	.	H	α-helix	trans	-64.9	-44.2	173.2	-74.7	176.3	179.1	178.7	0	111.4	V376 A377 R382 K383	V376-K380 HydrophobicContact CG1-CD 4.33Å; V376-K380 WeakPolarHBondContact O-CG 3.38Å; V376-K380 PolarHBondContact O-N 2.93Å; A377-K380 WeakPolarHBondContact O-CB 3.48Å; A377-K380 PolarHBondContact O-N 3.3Å; A377-K380 VanDerWaalsContact O-N 3.14Å; K380-R382 PolarHBondContact O-N 3.12Å; K380-K383 PolarHBondContact O-N 3.3Å
381	E	75.6	Confident	75.6	Confident	127 Å²	127	110.5 Å²	110.5	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-63.5	-39.5	177.2	-71.7	177.7	178.7	0	0	112.7	A377 K378 K383 L384	A377-E381 PolarHBondContact O-N 3.33Å; K378-E381 PolarHBondContact O-N 3.03Å; E381-K383 VanDerWaalsContact C-N 3.26Å; E381-K383 PolarHBondContact O-N 3.3Å; E381-L384 PolarHBondContact O-N 3.48Å; E381-L384 VanDerWaalsContact O-N 3.12Å
382	R	66.6	Low	74.5	Confident	191 Å²	191	103.3 Å²	103.3	72%	0.721	51%	0.507	S	S	*	.	H	α-helix	trans	-60.2	-35.2	177.2	-77.4	177.4	-172.7	176	3.3	112.9	K378 K380 L384	K378-R382 WeakPolarHBondContact O-CG 3.31Å; K378-R382 PolarHBondContact O-N 3.46Å; K380-R382 PolarHBondContact O-N 3.12Å; R382-L384 PolarHBondContact O-N 3.32Å
383	K	59.7	Low	73.7	Confident	179 Å²	179	103.5 Å²	103.5	78%	0.778	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.9	179.7	-70.8	-174.3	177.6	-173.7	0	113.6	A379 K380 E381	A379-K383 PolarHBondContact O-N 3.43Å; K380-K383 PolarHBondContact O-N 3.3Å; E381-K383 VanDerWaalsContact C-N 3.26Å; E381-K383 PolarHBondContact O-N 3.3Å
384	L	57.6	Low	73.1	Confident	147 Å²	147	104.7 Å²	104.7	77%	0.77	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	1.9	-175.8	-78	156.5	0	0	0	114.2	E381 R382 N386	E381-L384 PolarHBondContact O-N 3.48Å; E381-L384 VanDerWaalsContact O-N 3.12Å; R382-L384 PolarHBondContact O-N 3.32Å; L384-N386 PolarHBondContact O-N 3.1Å; L384-N386 VanDerWaalsContact O-N 3.1Å
385	K	56.3	Low	72.4	Confident	160 Å²	160	102.6 Å²	102.6	70%	0.696	51%	0.505	S	S	*	.			trans	-83.6	40.5	176.2	-73.5	-168	175.6	-170	0	113.8
386	N	56.1	Low	71.8	Confident	74 Å²	74	105.4 Å²	105.4	40%	0.396	52%	0.516	S	S	.	.			trans	-90.7	97.5	158.7	-65.6	-25.7	0	0	0	105.9	L384 T388 S392	L384-N386 PolarHBondContact O-N 3.1Å; L384-N386 VanDerWaalsContact O-N 3.1Å; N386-T388 PolarHBondContact O-N 3.12Å; N386-T388 VanDerWaalsContact O-N 3.12Å; N386-S392 VanDerWaalsContact ND2-CA 3.34Å; N386-S392 WeakPolarHBondContact ND2-CA 3.41Å; N386-S392 WeakPolarHBondContact ND2-CB 3.45Å
387	E	61.1	Low	71.5	Confident	186 Å²	186	106.8 Å²	106.8	87%	0.869	52%	0.521	S	S	*	.	S	Bend	trans	-61	-21.7	-174.6	-69.5	-176.6	167.1	0	0	112.5
388	T	64.5	Low	71.3	Confident	65 Å²	65	107.2 Å²	107.2	40%	0.399	52%	0.516	S	S	.	.	S	Bend	trans	-141	151.9	166.8	58.3	0	0	0	0	110.6	N386 Q390 D391	N386-T388 PolarHBondContact O-N 3.12Å; N386-T388 VanDerWaalsContact O-N 3.12Å; T388-Q390 PolarHBondContact O-N 3.16Å; T388-D391 PolarHBondContact O-N 3.25Å; T388-D391 PolarHBondContact OG1-OD2 3.16Å
389	W	70.5	Confident	71.2	Confident	129 Å²	129	105.9 Å²	105.9	49%	0.489	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-49.4	-29.6	169.5	169.9	-111.7	0	0	0	112.1	D391 S392 D394 R395 L398 V405	W389-D391 PolarHBondContact O-N 2.87Å; W389-S392 PolarHBondContact O-N 3.17Å; W389-S392 VanDerWaalsContact O-N 3.17Å; W389-S392 PolarHBondContact O-OG 3.21Å; W389-D394 HydrophobicContact CH2-CB 4.47Å; W389-D394 HydrophobicContact CZ3-CB 4.32Å; W389-R395 HydrophobicContact CD2-CB 4.47Å; W389-R395 HydrophobicContact CH2-CB 4.48Å; W389-R395 HydrophobicContact CZ2-CB 4.1Å; W389-L398 HydrophobicContact CH2-CD1 3.89Å; W389-L398 HydrophobicContact CZ2-CD1 4.06Å; W389-V405 HydrophobicContact CZ2-CB 4.34Å; W389-V405 HydrophobicContact CZ2-CG1 3.74Å
390	Q	70	Confident	71.3	Confident	118 Å²	118	110.5 Å²	110.5	55%	0.551	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30.3	179.9	-64.7	-170	-1.3	0	0	113.2	T388 R395	T388-Q390 PolarHBondContact O-N 3.16Å; Q390-R395 VanDerWaalsContact CB-NH1 3.34Å; Q390-R395 WeakPolarHBondContact O-CD 3.37Å; Q390-R395 PolarHBondContact O-NH1 3.13Å
391	D	70.8	Confident	71.6	Confident	105 Å²	105	109.2 Å²	109.2	56%	0.561	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-102	6.6	-177.6	-59.1	-40.1	0	0	0	113	T388 W389	T388-D391 PolarHBondContact O-N 3.25Å; T388-D391 PolarHBondContact OG1-OD2 3.16Å; W389-D391 PolarHBondContact O-N 2.87Å
392	S	69.9	Low	71.8	Confident	5 Å²	5	106.3 Å²	106.3	4%	0.035	53%	0.533	C	S	.	.			trans	-73.9	136.9	-177.1	69.7	0	0	0	0	112.8	N386 W389 D394 R395 F396	N386-S392 VanDerWaalsContact ND2-CA 3.34Å; N386-S392 WeakPolarHBondContact ND2-CA 3.41Å; N386-S392 WeakPolarHBondContact ND2-CB 3.45Å; W389-S392 PolarHBondContact O-N 3.17Å; W389-S392 VanDerWaalsContact O-N 3.17Å; W389-S392 PolarHBondContact O-OG 3.21Å; S392-D394 PolarHBondContact O-N 2.97Å; S392-R395 WeakPolarHBondContact O-CB 3.26Å; S392-R395 PolarHBondContact O-N 3.4Å; S392-R395 VanDerWaalsContact O-N 3.13Å; S392-R395 VanDerWaalsContact OG-CB 3.26Å; S392-R395 WeakPolarHBondContact OG-CB 3.36Å; S392-R395 PolarHBondContact OG-N 3.3Å; S392-R395 VanDerWaalsContact OG-N 3.16Å; S392-F396 PolarHBondContact O-N 2.92Å; S392-F396 VanDerWaalsContact O-N 3.16Å
393	A	73.7	Confident	72.5	Confident	60 Å²	60	102.8 Å²	102.8	50%	0.496	52%	0.523	S	S	.	.	H	α-helix	trans	-56.7	-33.9	171.7	0	0	0	0	0	111.8	F396 L397	A393-F396 WeakPolarHBondContact O-CB 3.49Å; A393-F396 PolarHBondContact O-N 3.42Å; A393-L397 WeakPolarHBondContact O-CG 3.27Å; A393-L397 PolarHBondContact O-N 3.16Å
394	D	76.5	Confident	73.2	Confident	102 Å²	102	105 Å²	105	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-41.8	176.8	-64.7	-18.9	0	0	0	112	W389 S392 F396 L397 L398	W389-D394 HydrophobicContact CH2-CB 4.47Å; W389-D394 HydrophobicContact CZ3-CB 4.32Å; S392-D394 PolarHBondContact O-N 2.97Å; D394-F396 VanDerWaalsContact C-N 3.34Å; D394-F396 PolarHBondContact O-N 3.49Å; D394-L397 PolarHBondContact O-N 2.99Å; D394-L398 WeakPolarHBondContact O-CB 3.34Å; D394-L398 VanDerWaalsContact O-CG 3.27Å; D394-L398 WeakPolarHBondContact O-CG 3.38Å; D394-L398 PolarHBondContact O-N 2.85Å
395	R	77.2	Confident	73.8	Confident	29 Å²	29	99.1 Å²	99.1	11%	0.109	50%	0.496	C	S	.	.	H	α-helix	trans	-58.8	-46.9	171.2	179.4	-165.7	163.8	-172.3	-1.5	110.7	W389 Q390 S392 L397 L398 E399 V405	W389-R395 HydrophobicContact CD2-CB 4.47Å; W389-R395 HydrophobicContact CH2-CB 4.48Å; W389-R395 HydrophobicContact CZ2-CB 4.1Å; Q390-R395 VanDerWaalsContact CB-NH1 3.34Å; Q390-R395 WeakPolarHBondContact O-CD 3.37Å; Q390-R395 PolarHBondContact O-NH1 3.13Å; S392-R395 WeakPolarHBondContact O-CB 3.26Å; S392-R395 PolarHBondContact O-N 3.4Å; S392-R395 VanDerWaalsContact O-N 3.13Å; S392-R395 VanDerWaalsContact OG-CB 3.26Å; S392-R395 WeakPolarHBondContact OG-CB 3.36Å; S392-R395 PolarHBondContact OG-N 3.3Å; S392-R395 VanDerWaalsContact OG-N 3.16Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 3.24Å; R395-L398 PolarHBondContact O-N 2.88Å; R395-E399 IonicContact CZ-OE1 3.28Å; R395-E399 VanDerWaalsContact CZ-OE1 3.28Å; R395-E399 IonicContact NE-OE1 3.81Å; R395-E399 PolarHBondContact NE-OE1 2.89Å; R395-E399 IonicContact NH2-OE1 2.83Å; R395-E399 PolarHBondContact NH2-OE1 2.88Å; R395-E399 WeakPolarHBondContact O-CG 3.46Å; R395-E399 PolarHBondContact O-N 3.34Å; R395-V405 HydrophobicContact CG-CB 4.25Å; R395-V405 HydrophobicContact CG-CG2 3.83Å
396	F	77.2	Confident	74.2	Confident	126 Å²	126	100.5 Å²	100.5	55%	0.553	50%	0.497	S	S	*	.	H	α-helix	trans	-58.7	-42.1	177.4	-102.1	-82	0	0	0	112.4	S392 A393 D394 E399 L400	S392-F396 PolarHBondContact O-N 2.92Å; S392-F396 VanDerWaalsContact O-N 3.16Å; A393-F396 WeakPolarHBondContact O-CB 3.49Å; A393-F396 PolarHBondContact O-N 3.42Å; D394-F396 VanDerWaalsContact C-N 3.34Å; D394-F396 PolarHBondContact O-N 3.49Å; F396-E399 PolarHBondContact O-N 3.24Å; F396-L400 WeakPolarHBondContact O-CG 3.47Å; F396-L400 PolarHBondContact O-N 3.01Å
397	L	82.2	Confident	74.1	Confident	109 Å²	109	105.1 Å²	105.1	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-65.3	-40.8	176.1	-72.9	170.3	0	0	0	112.1	A393 D394 R395 L400 D401	A393-L397 WeakPolarHBondContact O-CG 3.27Å; A393-L397 PolarHBondContact O-N 3.16Å; D394-L397 PolarHBondContact O-N 2.99Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 3.24Å; L397-L400 PolarHBondContact O-N 3.37Å; L397-D401 PolarHBondContact O-N 3.01Å
398	L	83.2	Confident	73.5	Confident	52 Å²	52	101.4 Å²	101.4	27%	0.272	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-40.3	175.5	-70.4	168.2	0	0	0	111.6	W389 D394 R395 D401 G402 K403 V405	W389-L398 HydrophobicContact CH2-CD1 3.89Å; W389-L398 HydrophobicContact CZ2-CD1 4.06Å; D394-L398 WeakPolarHBondContact O-CB 3.34Å; D394-L398 VanDerWaalsContact O-CG 3.27Å; D394-L398 WeakPolarHBondContact O-CG 3.38Å; D394-L398 PolarHBondContact O-N 2.85Å; R395-L398 PolarHBondContact O-N 2.88Å; L398-D401 CarbonylContact O-C 3.6Å; L398-D401 PolarHBondContact O-N 2.9Å; L398-G402 PolarHBondContact O-N 3.32Å; L398-K403 HydrophobicContact CB-CB 4.33Å; L398-K403 HydrophobicContact CD2-CD 3.7Å; L398-K403 WeakPolarHBondContact O-CA 3.36Å; L398-K403 WeakPolarHBondContact O-CB 3.39Å; L398-K403 PolarHBondContact O-N 3.32Å; L398-V405 HydrophobicContact CB-CG1 4.2Å; L398-V405 HydrophobicContact CB-CG2 3.87Å; L398-V405 HydrophobicContact CD1-CG1 3.75Å
399	E	84.2	Confident	72.7	Confident	72 Å²	72	104.7 Å²	104.7	34%	0.336	53%	0.526	S	S	.	.	H	α-helix	trans	-65.3	-38.4	174.8	-71.6	-175.3	177.8	0	0	111.8	R395 F396 D401 G402 V405	R395-E399 IonicContact CZ-OE1 3.28Å; R395-E399 VanDerWaalsContact CZ-OE1 3.28Å; R395-E399 IonicContact NE-OE1 3.81Å; R395-E399 PolarHBondContact NE-OE1 2.89Å; R395-E399 IonicContact NH2-OE1 2.83Å; R395-E399 PolarHBondContact NH2-OE1 2.88Å; R395-E399 WeakPolarHBondContact O-CG 3.46Å; R395-E399 PolarHBondContact O-N 3.34Å; F396-E399 PolarHBondContact O-N 3.24Å; E399-D401 VanDerWaalsContact C-N 3.34Å; E399-G402 PolarHBondContact O-N 3.07Å; E399-G402 VanDerWaalsContact O-N 3.07Å; E399-V405 HydrophobicContact CG-CG2 3.55Å
400	L	85.4	Confident	71.5	Confident	144 Å²	144	107.3 Å²	107.3	75%	0.754	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-33.1	174.2	-75.8	171.1	0	0	0	113.2	F396 L397 G402	F396-L400 WeakPolarHBondContact O-CG 3.47Å; F396-L400 PolarHBondContact O-N 3.01Å; L397-L400 PolarHBondContact O-N 3.37Å; L400-G402 PolarHBondContact O-N 3.34Å
401	D	84.6	Confident	70.1	Confident	113 Å²	113	109 Å²	109	60%	0.604	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	5.9	172.3	-165.8	43.6	0	0	0	112.5	L397 L398 E399 K403	L397-D401 PolarHBondContact O-N 3.01Å; L398-D401 CarbonylContact O-C 3.6Å; L398-D401 PolarHBondContact O-N 2.9Å; E399-D401 VanDerWaalsContact C-N 3.34Å; D401-K403 VanDerWaalsContact C-N 3.29Å; D401-K403 PolarHBondContact O-N 2.83Å; D401-K403 WeakPolarHBondContact OD2-CE 3.5Å; D401-K403 IonicContact OD2-NZ 3.93Å
402	G	81.2	Confident	68.8	Low	66 Å²	66	113.1 Å²	113.1	68%	0.68	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	77	8.1	177.7	0	0	0	0	0	114.8	L398 E399 L400	L398-G402 PolarHBondContact O-N 3.32Å; E399-G402 PolarHBondContact O-N 3.07Å; E399-G402 VanDerWaalsContact O-N 3.07Å; L400-G402 PolarHBondContact O-N 3.34Å
403	K	79.9	Confident	67.9	Low	117 Å²	117	117.9 Å²	117.9	51%	0.509	60%	0.601	S	S	.	*			trans	-80.3	122.1	174.7	-67.3	177.4	-179.2	166.6	0	109.4	L398 D401 V405	L398-K403 HydrophobicContact CB-CB 4.33Å; L398-K403 HydrophobicContact CD2-CD 3.7Å; L398-K403 WeakPolarHBondContact O-CA 3.36Å; L398-K403 WeakPolarHBondContact O-CB 3.39Å; L398-K403 PolarHBondContact O-N 3.32Å; D401-K403 VanDerWaalsContact C-N 3.29Å; D401-K403 PolarHBondContact O-N 2.83Å; D401-K403 WeakPolarHBondContact OD2-CE 3.5Å; D401-K403 IonicContact OD2-NZ 3.93Å; K403-V405 WeakPolarHBondContact O-CG2 3.49Å; K403-V405 PolarHBondContact O-N 3.31Å
404	R	74.6	Confident	67.1	Low	225 Å²	225	124.7 Å²	124.7	85%	0.849	64%	0.641	S	S	*	*			trans	-74.1	115.2	171.3	-73.5	-169.4	-121.7	-176.5	-0.4	109.5
405	V	70.9	Confident	66.6	Low	25 Å²	25	125.9 Å²	125.9	15%	0.152	65%	0.645	C	S	.	*			trans	-108.7	3.3	-178.2	-107.6	0	0	0	0	113.6	W389 R395 L398 E399 K403 H407	W389-V405 HydrophobicContact CZ2-CB 4.34Å; W389-V405 HydrophobicContact CZ2-CG1 3.74Å; R395-V405 HydrophobicContact CG-CB 4.25Å; R395-V405 HydrophobicContact CG-CG2 3.83Å; L398-V405 HydrophobicContact CB-CG1 4.2Å; L398-V405 HydrophobicContact CB-CG2 3.87Å; L398-V405 HydrophobicContact CD1-CG1 3.75Å; E399-V405 HydrophobicContact CG-CG2 3.55Å; K403-V405 WeakPolarHBondContact O-CG2 3.49Å; K403-V405 PolarHBondContact O-N 3.31Å; V405-H407 PolarHBondContact O-N 3.14Å; V405-H407 VanDerWaalsContact O-N 3.14Å
406	R	64	Low	66.1	Low	189 Å²	189	130.9 Å²	130.9	71%	0.713	67%	0.674	S	S	*	*			trans	-80	86.2	169	-66	-170	-172.8	-168.4	1.1	109.8
407	H	54.6	Low	65.5	Low	171 Å²	171	131.2 Å²	131.2	79%	0.792	68%	0.68	S	S	*	*			trans	-93.4	100	163.8	-79.1	-70.2	0	0	0	107.9	V405	V405-H407 PolarHBondContact O-N 3.14Å; V405-H407 VanDerWaalsContact O-N 3.14Å
408	S	47.9	Very low	64.5	Low	107 Å²	107	132.5 Å²	132.5	75%	0.748	69%	0.687	S	S	*	*	S	Bend	trans	149.4	4.6	147.9	57.4	0	0	0	0	118.9
409	D	49.4	Very low	63.3	Low	135 Å²	135	137.6 Å²	137.6	72%	0.722	71%	0.713	S	S	*	*	S	Bend	trans	-97.3	7	178.2	-65	-30.6	0	0	0	115.4
410	E	43.5	Very low	61.9	Low	183 Å²	183	141.9 Å²	141.9	86%	0.855	74%	0.738	S	S	*	*			trans	-112.4	70.5	177.9	-72.2	179.3	-176.2	0	0	111.1
411	I	42	Very low	60.3	Low	155 Å²	155	141.8 Å²	141.8	80%	0.795	74%	0.737	S	S	*	*			trans	-131.1	79.8	155.5	-53.7	176.5	0	0	0	106.7
412	E	42.9	Very low	58.4	Low	191 Å²	191	144 Å²	144	89%	0.893	75%	0.747	S	S	*	*			trans	-87.7	119.6	154.1	-86	-173.9	159.2	0	0	107.4
413	P	50.6	Low	56.5	Low	104 Å²	104	150.5 Å²	150.5	68%	0.675	75%	0.752	S	S	*	*			trans	-72.5	161.2	167.3	32.1	-30	0	0	0	109.9
414	P	57.8	Low	54.4	Low	204 Å²	204	153.5 Å²	153.5	100%	1.325	77%	0.774	S	S	*	*			trans	-59.2	0	-175.9	26	-36.6	0	0	0	115

Retrieved 414 of 414 residues in 647.2 ms (Link to these results)

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