A0A077ZJ86_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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	53.9	Low	59.4	Low	178 Å²	178	116.1 Å²	116.1	88%	0.877	59%	0.592	S	S	*	*				0	169.1	0	-75.2	-179.2	176.2	0	0	109.6	V21	M1-V21 HydrophobicContact CB-CB 4.33Å; M1-V21 PolarHBondContact N-O 3.15Å; M1-V21 CarbonylContact O-C 3.55Å; M1-V21 WeakPolarHBondContact O-CA 3.16Å; M1-V21 PolarHBondContact O-N 2.59Å
2	V	50.3	Low	60.1	Low	107 Å²	107	120.2 Å²	120.2	65%	0.648	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	117.1	170.5	-169.6	0	0	0	0	108.8	L18	V2-L18 HydrophobicContact CG1-CB 4.12Å; V2-L18 HydrophobicContact CG1-CD2 3.71Å; V2-L18 HydrophobicContact CG1-CG 4.46Å
3	G	61.8	Low	59.6	Low	21 Å²	21	120.4 Å²	120.4	22%	0.216	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	155.2	178.5	0	0	0	0	0	111.3	V19	G3-V19 PolarHBondContact N-O 3.47Å; G3-V19 WeakPolarHBondContact O-CG2 3.28Å; G3-V19 PolarHBondContact O-N 2.68Å; G3-V19 VanDerWaalsContact O-O 3.1Å
4	R	54.3	Low	59.9	Low	181 Å²	181	124.1 Å²	124.1	68%	0.683	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.4	121.2	164.8	-83.3	-174.3	167.3	-157.7	-3.3	109.5	A17 L18	R4-A17 WeakPolarHBondContact CA-O 3.32Å; R4-L18 HydrophobicContact CG-CD2 3.76Å; R4-L18 HydrophobicContact CG-CG 4.47Å
5	R	63.4	Low	60.4	Low	185 Å²	185	120.1 Å²	120.1	70%	0.698	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.5	116.4	164.3	-106.5	177.9	165	172.1	-4.3	107.5	A17 V19	R5-A17 PolarHBondContact N-O 3.4Å; R5-A17 VanDerWaalsContact N-O 3.08Å; R5-A17 PolarHBondContact O-N 2.81Å; R5-V19 HydrophobicContact CB-CG2 4.04Å; R5-V19 HydrophobicContact CG-CG2 4.37Å
6	C	63.8	Low	61.2	Low	53 Å²	53	115.6 Å²	115.6	36%	0.358	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	136.2	173.2	-54.8	0	0	0	0	109.5	W14 S15 C16	C6-W14 HydrophobicContact CB-CE3 3.68Å; C6-W14 HydrophobicContact CB-CZ3 3.97Å; C6-S15 WeakPolarHBondContact CA-O 3.42Å; C6-C16 HydrophobicContact CB-CB 4.1Å; C6-C16 WeakPolarHBondContact CB-SG 3.45Å; C6-C16 WeakPolarHBondContact SG-CB 3.25Å; C6-C16 CovalentContact SG-SG 2.04Å; C6-C16 PolarHBondContact SG-SG 3.47Å
7	Q	64.5	Low	61.8	Low	135 Å²	135	112.2 Å²	112.2	63%	0.631	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	141.6	173	-66.6	-178.9	-3.9	0	0	108.8	S15	Q7-S15 PolarHBondContact N-O 3.03Å; Q7-S15 PolarHBondContact O-N 2.88Å; Q7-S15 VanDerWaalsContact O-N 3.12Å
8	L	49.9	Very low	62	Low	110 Å²	110	112.6 Å²	112.6	58%	0.576	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.3	129.7	167	-90.1	89	0	0	0	108.7	W14	L8-W14 HydrophobicContact CD1-CZ2 3.92Å
9	L	66.9	Low	62.4	Low	113 Å²	113	109.4 Å²	109.4	59%	0.592	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	-31.5	169.8	-66.4	174.3	0	0	0	111.4	Q13	L9-Q13 PolarHBondContact N-O 2.88Å; L9-Q13 VanDerWaalsContact N-O 3.17Å
10	T	55	Low	62.3	Low	66 Å²	66	108.2 Å²	108.2	41%	0.405	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.7	164.4	177.6	60	0	0	0	0	109.2	I12 Q13	T10-I12 PolarHBondContact O-N 2.85Å; T10-Q13 PolarHBondContact O-N 3.2Å; T10-Q13 VanDerWaalsContact O-N 3.16Å; T10-Q13 WeakPolarHBondContact OG1-CB 3.31Å; T10-Q13 PolarHBondContact OG1-N 2.89Å
11	P	69.7	Low	62.4	Low	128 Å²	128	106.4 Å²	106.4	83%	0.831	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-7.3	-177.9	20.1	-34.3	0	0	0	116.7
12	I	67.7	Low	62.7	Low	165 Å²	165	106.4 Å²	106.4	85%	0.846	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	-2.9	-178.9	-44.8	179.5	0	0	0	111.7	T10	T10-I12 PolarHBondContact O-N 2.85Å
13	Q	54	Low	63.3	Low	123 Å²	123	105 Å²	105	58%	0.575	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-129.2	115.9	-172.9	-156.5	175.9	-14.7	0	0	113	L9 T10	L9-Q13 PolarHBondContact N-O 2.88Å; L9-Q13 VanDerWaalsContact N-O 3.17Å; T10-Q13 PolarHBondContact O-N 3.2Å; T10-Q13 VanDerWaalsContact O-N 3.16Å; T10-Q13 WeakPolarHBondContact OG1-CB 3.31Å; T10-Q13 PolarHBondContact OG1-N 2.89Å
14	W	63	Low	63.2	Low	172 Å²	172	113.1 Å²	113.1	65%	0.652	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	136.4	170.1	-79.1	39.1	0	0	0	109.7	C6 L8	C6-W14 HydrophobicContact CB-CE3 3.68Å; C6-W14 HydrophobicContact CB-CZ3 3.97Å; L8-W14 HydrophobicContact CD1-CZ2 3.92Å
15	S	67.7	Low	62.7	Low	64 Å²	64	110.6 Å²	110.6	45%	0.448	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.4	127.7	167.6	-165.7	0	0	0	0	109.3	C6 Q7	C6-S15 WeakPolarHBondContact CA-O 3.42Å; Q7-S15 PolarHBondContact N-O 3.03Å; Q7-S15 PolarHBondContact O-N 2.88Å; Q7-S15 VanDerWaalsContact O-N 3.12Å
16	C	72.8	Confident	61.8	Low	49 Å²	49	110.8 Å²	110.8	33%	0.331	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	104.8	-176.8	-61.9	0	0	0	0	110	C6	C6-C16 HydrophobicContact CB-CB 4.1Å; C6-C16 WeakPolarHBondContact CB-SG 3.45Å; C6-C16 WeakPolarHBondContact SG-CB 3.25Å; C6-C16 CovalentContact SG-SG 2.04Å; C6-C16 PolarHBondContact SG-SG 3.47Å
17	A	71.8	Confident	60.8	Low	57 Å²	57	117 Å²	117	47%	0.471	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	137.7	171.4	0	0	0	0	0	109.9	R4 R5 V19	R4-A17 WeakPolarHBondContact CA-O 3.32Å; R5-A17 PolarHBondContact N-O 3.4Å; R5-A17 VanDerWaalsContact N-O 3.08Å; R5-A17 PolarHBondContact O-N 2.81Å; A17-V19 PolarHBondContact O-N 3.44Å
18	L	65	Low	59.8	Low	119 Å²	119	115.4 Å²	115.4	62%	0.623	63%	0.629	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.1	116	160	-73.4	163.6	0	0	0	107	V2 R4	V2-L18 HydrophobicContact CG1-CB 4.12Å; V2-L18 HydrophobicContact CG1-CD2 3.71Å; V2-L18 HydrophobicContact CG1-CG 4.46Å; R4-L18 HydrophobicContact CG-CD2 3.76Å; R4-L18 HydrophobicContact CG-CG 4.47Å
19	V	69.8	Low	59.7	Low	53 Å²	53	116.3 Å²	116.3	32%	0.321	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.7	131.2	170.8	-75.5	0	0	0	0	108.1	G3 R5 A17 V21	G3-V19 PolarHBondContact N-O 3.47Å; G3-V19 WeakPolarHBondContact O-CG2 3.28Å; G3-V19 PolarHBondContact O-N 2.68Å; G3-V19 VanDerWaalsContact O-O 3.1Å; R5-V19 HydrophobicContact CB-CG2 4.04Å; R5-V19 HydrophobicContact CG-CG2 4.37Å; A17-V19 PolarHBondContact O-N 3.44Å; V19-V21 PolarHBondContact O-N 2.65Å; V19-V21 VanDerWaalsContact O-N 3.11Å
20	A	61.3	Low	59.5	Low	85 Å²	85	114.7 Å²	114.7	70%	0.702	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.8	116.4	164.2	0	0	0	0	0	107.1	E22	A20-E22 PolarHBondContact O-N 3.3Å
21	V	64.1	Low	60.6	Low	70 Å²	70	117.7 Å²	117.7	42%	0.424	65%	0.649	S	S	.	*			trans	-86.2	97.9	164.9	175.5	0	0	0	0	104.3	M1 V19 S23	M1-V21 HydrophobicContact CB-CB 4.33Å; M1-V21 PolarHBondContact N-O 3.15Å; M1-V21 CarbonylContact O-C 3.55Å; M1-V21 WeakPolarHBondContact O-CA 3.16Å; M1-V21 PolarHBondContact O-N 2.59Å; V19-V21 PolarHBondContact O-N 2.65Å; V19-V21 VanDerWaalsContact O-N 3.11Å; V21-S23 PolarHBondContact O-N 3.23Å
22	E	60.8	Low	61.5	Low	179 Å²	179	113.5 Å²	113.5	84%	0.836	62%	0.621	S	S	*	*			trans	-52.6	110.6	161.9	-70.1	178.6	118.5	0	0	106.3	A20 E24	A20-E22 PolarHBondContact O-N 3.3Å; E22-E24 PolarHBondContact O-N 3.41Å; E22-E24 VanDerWaalsContact O-N 3.17Å
23	S	61.2	Low	62.7	Low	78 Å²	78	106.3 Å²	106.3	55%	0.545	59%	0.585	S	S	.	*			trans	-70.9	110	169.1	44	0	0	0	0	105.1	V21 T25	V21-S23 PolarHBondContact O-N 3.23Å; S23-T25 VanDerWaalsContact C-N 3.35Å; S23-T25 PolarHBondContact O-N 3.29Å
24	E	59.3	Low	64.7	Low	190 Å²	190	102.3 Å²	102.3	89%	0.888	57%	0.571	S	S	*	*			trans	-49.6	108.4	161.7	-64.8	177.8	121.3	0	0	106.3	E22 E26	E22-E24 PolarHBondContact O-N 3.41Å; E22-E24 VanDerWaalsContact O-N 3.17Å; E24-E26 PolarHBondContact O-N 3.44Å
25	T	44	Very low	66.4	Low	128 Å²	128	94.8 Å²	94.8	79%	0.785	55%	0.545	S	S	*	.			trans	-65.4	107.9	175.1	38.4	0	0	0	0	106.3	S23 K27	S23-T25 VanDerWaalsContact C-N 3.35Å; S23-T25 PolarHBondContact O-N 3.29Å; T25-K27 PolarHBondContact O-N 3.41Å
26	E	44.8	Very low	67.8	Low	189 Å²	189	92.2 Å²	92.2	88%	0.883	53%	0.526	S	S	*	.			trans	-46.4	114.6	168.7	-80.5	-177.1	102.6	0	0	108.1	E24	E24-E26 PolarHBondContact O-N 3.44Å
27	K	42.3	Very low	68.9	Low	183 Å²	183	92.4 Å²	92.4	80%	0.796	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-53.6	129.7	175	-175.3	179.5	-179.5	-178.5	0	106.6	T25	T25-K27 PolarHBondContact O-N 3.41Å
28	P	43.6	Very low	70.1	Confident	103 Å²	103	94.2 Å²	94.2	67%	0.669	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-52.2	142.5	178.8	22.5	-33.6	0	0	0	109.1	S30	P28-S30 PolarHBondContact O-N 2.8Å; P28-S30 VanDerWaalsContact O-N 3.11Å
29	P	48.5	Very low	71.6	Confident	128 Å²	128	95.3 Å²	95.3	83%	0.831	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-50.2	125.5	-173.2	19.5	-32.3	0	0	0	109
30	S	62.5	Low	72.9	Confident	80 Å²	80	96 Å²	96	56%	0.559	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-50.6	149.7	-176.6	49.1	0	0	0	0	110.6	P28	P28-S30 PolarHBondContact O-N 2.8Å; P28-S30 VanDerWaalsContact O-N 3.11Å
31	E	77.9	Confident	74.7	Confident	129 Å²	129	91.9 Å²	91.9	60%	0.603	50%	0.501	S	S	*	.			trans	-46	138.8	177.8	-68.2	-168	159.6	0	0	110.6	V33 K76	E31-V33 PolarHBondContact O-N 3.36Å; E31-K76 IonicContact OE2-NZ 2.69Å; E31-K76 PolarHBondContact OE2-NZ 2.81Å; E31-K76 VanDerWaalsContact OE2-NZ 3.17Å
32	P	88.8	Confident	76.2	Confident	39 Å²	39	90.1 Å²	90.1	25%	0.253	49%	0.494	S	S	.	.	S	Bend	trans	-61	-17.7	-175.6	28.2	-38.5	0	0	0	112.8	N151 T152 K153	P32-N151 CarbonylContact O-C 3.53Å; P32-N151 VanDerWaalsContact O-CA 3.25Å; P32-N151 WeakPolarHBondContact O-CA 3.44Å; P32-N151 PolarHBondContact O-OD1 3.35Å; P32-T152 PolarHBondContact O-N 2.81Å; P32-T152 PolarHBondContact O-OG1 2.95Å; P32-K153 HydrophobicContact CB-CB 4.23Å; P32-K153 HydrophobicContact CB-CD 3.46Å; P32-K153 VanDerWaalsContact CB-CD 3.46Å; P32-K153 HydrophobicContact CB-CG 3.56Å; P32-K153 HydrophobicContact CG-CD 3.67Å; P32-K153 HydrophobicContact CG-CG 4.33Å
33	V	93.4	Very high	78	Confident	15 Å²	15	85.1 Å²	85.1	9%	0.091	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.4	175.4	-160.7	0	0	0	0	107.8	E31 K76 A79 E80 Y150 N151	E31-V33 PolarHBondContact O-N 3.36Å; V33-K76 HydrophobicContact CG1-CG 3.81Å; V33-K76 VanDerWaalsContact O-CE 3.22Å; V33-K76 WeakPolarHBondContact O-CE 3.06Å; V33-A79 HydrophobicContact CG1-CB 3.85Å; V33-E80 HydrophobicContact CB-CG 3.85Å; V33-E80 HydrophobicContact CG1-CB 4.41Å; V33-E80 HydrophobicContact CG1-CG 3.51Å; V33-E80 HydrophobicContact CG2-CG 3.84Å; V33-Y150 CarbonylContact C-O 3.59Å; V33-Y150 VanDerWaalsContact CA-O 3.28Å; V33-Y150 WeakPolarHBondContact CA-O 3.23Å; V33-Y150 WeakPolarHBondContact CG1-O 3.16Å; V33-N151 HydrophobicContact CB-CB 4.39Å; V33-N151 HydrophobicContact CG1-CB 3.96Å; V33-N151 HydrophobicContact CG2-CB 4.02Å; V33-N151 VanDerWaalsContact CG2-CG 3.48Å
34	S	96	Very high	79.7	Confident	39 Å²	39	81.4 Å²	81.4	27%	0.273	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.6	179.2	-170	0	0	0	0	110.4	A149 Y150	S34-A149 CarbonylContact O-C 3.47Å; S34-A149 WeakPolarHBondContact O-CA 3.3Å; S34-A149 WeakPolarHBondContact O-CB 3.3Å; S34-Y150 PolarHBondContact N-O 3.38Å; S34-Y150 PolarHBondContact O-N 3.37Å
35	A	97.6	Very high	81.6	Confident	14 Å²	14	72.9 Å²	72.9	12%	0.116	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	148	154.6	0	0	0	0	0	109.2	A72	A35-A72 HydrophobicContact CB-CB 3.89Å
36	L	97.5	Very high	84.1	Confident	9 Å²	9	71.3 Å²	71.3	5%	0.047	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.8	144.9	167.2	-66.9	-173.8	0	0	0	109.5	H40 F44 W67 F102 Y105 C148 Y150 F161	L36-H40 HydrophobicContact CB-CB 4.22Å; L36-H40 HydrophobicContact CD1-CB 4.38Å; L36-H40 HydrophobicContact CD2-CB 4.28Å; L36-F44 HydrophobicContact CD1-CB 4.49Å; L36-W67 HydrophobicContact CB-CH2 3.83Å; L36-W67 HydrophobicContact CB-CZ2 4.24Å; L36-W67 HydrophobicContact CD1-CH2 4.45Å; L36-F102 HydrophobicContact CD2-CE2 3.89Å; L36-F102 HydrophobicContact CD2-CZ 3.64Å; L36-Y105 HydrophobicContact CD1-CD2 3.92Å; L36-Y105 HydrophobicContact CD1-CE2 3.88Å; L36-C148 HydrophobicContact CD1-CB 3.92Å; L36-C148 HydrophobicContact CG-CB 4.24Å; L36-C148 PolarHBondContact N-O 2.87Å; L36-Y150 HydrophobicContact CD2-CD1 4.06Å; L36-Y150 HydrophobicContact CD2-CE1 4.27Å; L36-F161 HydrophobicContact CD1-CE2 3.96Å; L36-F161 HydrophobicContact CD1-CZ 4.16Å; L36-F161 HydrophobicContact CD2-CE2 4.32Å; L36-F161 HydrophobicContact CG-CE2 4.23Å
37	S	96.6	Very high	86.6	Confident	54 Å²	54	63.3 Å²	63.3	38%	0.378	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.5	159.2	168.6	66.3	0	0	0	0	110.5	E39 H40 G41	S37-E39 PolarHBondContact O-N 2.03Å; S37-E39 VanDerWaalsContact O-N 3.17Å; S37-H40 PolarHBondContact O-N 3.17Å; S37-H40 PolarHBondContact OG-N 2.99Å; S37-H40 PolarHBondContact OG-ND1 2.95Å; S37-G41 PolarHBondContact O-N 3.37Å
38	T	96.9	Very high	89.2	Confident	95 Å²	95	54.7 Å²	54.7	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-55.8	-31.7	173.4	-58.1	0	0	0	0	112.6	A42	T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.34Å; T38-A42 PolarHBondContact O-N 3.32Å
39	E	96.5	Very high	91.8	Very high	142 Å²	142	49.8 Å²	49.8	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-69.6	-55.8	178.1	-177.2	169.6	-161.6	0	0	112.2	S37 G41 A42 E43	S37-E39 PolarHBondContact O-N 2.03Å; S37-E39 VanDerWaalsContact O-N 3.17Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 3.23Å; E39-A42 PolarHBondContact O-N 3.24Å; E39-E43 PolarHBondContact O-N 2.87Å
40	H	97.5	Very high	94	Very high	66 Å²	66	49.9 Å²	49.9	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-35.3	175.3	-63.3	163	0	0	0	111.6	L36 S37 E43 F44 F102 Y105	L36-H40 HydrophobicContact CB-CB 4.22Å; L36-H40 HydrophobicContact CD1-CB 4.38Å; L36-H40 HydrophobicContact CD2-CB 4.28Å; S37-H40 PolarHBondContact O-N 3.17Å; S37-H40 PolarHBondContact OG-N 2.99Å; S37-H40 PolarHBondContact OG-ND1 2.95Å; H40-E43 PolarHBondContact O-N 2.9Å; H40-F44 WeakPolarHBondContact O-CB 3.36Å; H40-F44 PolarHBondContact O-N 2.97Å; H40-F102 AromaticContact CE1-CE1 3.6Å; H40-F102 AromaticContact ND1-CE1 3.55Å; H40-F102 AromaticContact ND1-CZ 3.64Å; H40-Y105 WeakPolarHBondContact CA-OH 3.46Å; H40-Y105 HydrophobicContact CB-CE2 4.2Å; H40-Y105 WeakPolarHBondContact CB-OH 3.4Å; H40-Y105 PolarHBondContact O-OH 3.12Å
41	G	98.2	Very high	95.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-41.5	174.7	0	0	0	0	0	113.4	S37 E39 F44 V45 W67	S37-G41 PolarHBondContact O-N 3.37Å; E39-G41 VanDerWaalsContact C-N 3.25Å; E39-G41 PolarHBondContact O-N 3.23Å; G41-F44 PolarHBondContact O-N 3.4Å; G41-V45 WeakPolarHBondContact O-CB 2.96Å; G41-V45 VanDerWaalsContact O-CG2 3.25Å; G41-V45 WeakPolarHBondContact O-CG2 3.34Å; G41-V45 PolarHBondContact O-N 3.02Å; G41-W67 VanDerWaalsContact C-CE3 3.5Å
42	A	96.9	Very high	96.6	Very high	33 Å²	33	42.2 Å²	42.2	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-38.4	173	0	0	0	0	0	111.8	T38 E39 V45 R46	T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.34Å; T38-A42 PolarHBondContact O-N 3.32Å; E39-A42 PolarHBondContact O-N 3.24Å; A42-V45 PolarHBondContact O-N 2.66Å; A42-R46 WeakPolarHBondContact O-CG 3.39Å; A42-R46 PolarHBondContact O-N 3.26Å
43	E	97.6	Very high	96.9	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-47.1	174	-165	-179.6	-158.5	0	0	112.3	E39 H40 V45 R46 A47 Y105 L106	E39-E43 PolarHBondContact O-N 2.87Å; H40-E43 PolarHBondContact O-N 2.9Å; E43-V45 VanDerWaalsContact C-N 3.3Å; E43-V45 PolarHBondContact O-N 3.24Å; E43-R46 WeakPolarHBondContact O-CB 3.35Å; E43-R46 PolarHBondContact O-N 2.96Å; E43-R46 VanDerWaalsContact O-N 3.16Å; E43-A47 PolarHBondContact O-N 3.45Å; E43-Y105 PolarHBondContact OE2-OH 3.45Å; E43-L106 HydrophobicContact CB-CD2 4.25Å; E43-L106 HydrophobicContact CG-CD1 4.39Å; E43-L106 HydrophobicContact CG-CD2 3.65Å; E43-L106 WeakPolarHBondContact OE1-CD1 3.16Å
44	F	98.3	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-41	174.6	-166.9	-93.2	0	0	0	112.2	L36 H40 G41 A47 M48 Y105 V108 P109 W112 I146 F161 C163	L36-F44 HydrophobicContact CD1-CB 4.49Å; H40-F44 WeakPolarHBondContact O-CB 3.36Å; H40-F44 PolarHBondContact O-N 2.97Å; G41-F44 PolarHBondContact O-N 3.4Å; F44-A47 PolarHBondContact O-N 2.97Å; F44-M48 HydrophobicContact CD1-CG 3.74Å; F44-M48 HydrophobicContact CE1-CG 3.41Å; F44-M48 VanDerWaalsContact CE1-CG 3.41Å; F44-M48 HydrophobicContact CE1-SD 3.94Å; F44-M48 HydrophobicContact CZ-CG 4.12Å; F44-M48 HydrophobicContact CZ-SD 4.21Å; F44-M48 WeakPolarHBondContact O-CB 3.22Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 3.45Å; F44-Y105 HydrophobicContact CB-CE2 4.12Å; F44-Y105 AromaticContact CD2-CD2 3.73Å; F44-Y105 HydrophobicContact CD2-CD2 3.73Å; F44-Y105 HydrophobicContact CD2-CE2 4.14Å; F44-Y105 HydrophobicContact CE2-CD2 4.49Å; F44-Y105 WeakPolarHBondContact CE2-O 3.48Å; F44-V108 HydrophobicContact CE2-CB 4.21Å; F44-V108 HydrophobicContact CZ-CG1 4.47Å; F44-P109 HydrophobicContact CD2-CG 3.98Å; F44-P109 HydrophobicContact CE1-CG 4.35Å; F44-P109 HydrophobicContact CE2-CG 3.59Å; F44-P109 HydrophobicContact CZ-CG 3.78Å; F44-W112 HydrophobicContact CE1-CZ3 4.21Å; F44-W112 HydrophobicContact CZ-CE3 4.36Å; F44-W112 HydrophobicContact CZ-CH2 4.36Å; F44-W112 AromaticContact CZ-CZ3 3.72Å; F44-W112 HydrophobicContact CZ-CZ3 3.72Å; F44-I146 HydrophobicContact CD1-CD1 4.13Å; F44-I146 HydrophobicContact CE1-CD1 3.77Å; F44-F161 HydrophobicContact CD2-CE1 4.4Å; F44-F161 AromaticContact CD2-CZ 4Å; F44-F161 HydrophobicContact CD2-CZ 4Å; F44-F161 AromaticContact CE2-CE1 3.58Å; F44-F161 HydrophobicContact CE2-CE1 3.58Å; F44-F161 AromaticContact CE2-CZ 3.63Å; F44-F161 HydrophobicContact CE2-CZ 3.63Å; F44-F161 AromaticContact CZ-CE1 3.72Å; F44-F161 HydrophobicContact CZ-CE1 3.72Å; F44-F161 HydrophobicContact CZ-CZ 4.04Å; F44-C163 WeakPolarHBondContact CE1-SG 3.44Å; F44-C163 VanDerWaalsContact CZ-SG 3.58Å
45	V	98	Very high	96.8	Very high	10 Å²	10	42.8 Å²	42.8	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-44.9	174.9	166.3	0	0	0	0	111.4	G41 A42 E43 A47 M48 N49 L65 W67 I146	G41-V45 WeakPolarHBondContact O-CB 2.96Å; G41-V45 VanDerWaalsContact O-CG2 3.25Å; G41-V45 WeakPolarHBondContact O-CG2 3.34Å; G41-V45 PolarHBondContact O-N 3.02Å; A42-V45 PolarHBondContact O-N 2.66Å; E43-V45 VanDerWaalsContact C-N 3.3Å; E43-V45 PolarHBondContact O-N 3.24Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 2.79Å; V45-M48 PolarHBondContact O-N 2.87Å; V45-N49 VanDerWaalsContact O-CB 3.23Å; V45-N49 WeakPolarHBondContact O-CB 3.06Å; V45-N49 PolarHBondContact O-N 3.3Å; V45-L65 WeakPolarHBondContact CG1-O 3.38Å; V45-W67 HydrophobicContact CG2-CB 4.11Å; V45-W67 HydrophobicContact CG2-CE3 4.13Å; V45-I146 HydrophobicContact CG2-CG2 3.35Å
46	R	96.4	Very high	96.7	Very high	95 Å²	95	44.2 Å²	44.2	36%	0.358	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-43.8	175.6	-72.1	-174.9	-60	-106.2	3.5	111.3	A42 E43 N49 K50	A42-R46 WeakPolarHBondContact O-CG 3.39Å; A42-R46 PolarHBondContact O-N 3.26Å; E43-R46 WeakPolarHBondContact O-CB 3.35Å; E43-R46 PolarHBondContact O-N 2.96Å; E43-R46 VanDerWaalsContact O-N 3.16Å; R46-N49 PolarHBondContact O-N 3.05Å; R46-K50 WeakPolarHBondContact O-CB 3.45Å; R46-K50 PolarHBondContact O-N 3.39Å
47	A	97.5	Very high	96.4	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-50.8	176.1	0	0	0	0	0	111.8	E43 F44 V45 N49 K50 E51 P109	E43-A47 PolarHBondContact O-N 3.45Å; F44-A47 PolarHBondContact O-N 2.97Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 2.79Å; A47-N49 VanDerWaalsContact C-N 3.32Å; A47-N49 PolarHBondContact O-N 3.26Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 3.17Å; A47-E51 WeakPolarHBondContact O-CG 3.35Å; A47-E51 PolarHBondContact O-N 3.02Å; A47-P109 HydrophobicContact CB-CB 4.11Å; A47-P109 HydrophobicContact CB-CG 3.79Å
48	M	97.8	Very high	96.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-44.1	173.9	-76.2	-67	-53.3	0	0	112.8	F44 V45 K50 E51 R52 L65 P109 W112 I146 F165	F44-M48 HydrophobicContact CD1-CG 3.74Å; F44-M48 HydrophobicContact CE1-CG 3.41Å; F44-M48 VanDerWaalsContact CE1-CG 3.41Å; F44-M48 HydrophobicContact CE1-SD 3.94Å; F44-M48 HydrophobicContact CZ-CG 4.12Å; F44-M48 HydrophobicContact CZ-SD 4.21Å; F44-M48 WeakPolarHBondContact O-CB 3.22Å; F44-M48 WeakPolarHBondContact O-CG 3.46Å; F44-M48 PolarHBondContact O-N 3.45Å; V45-M48 PolarHBondContact O-N 2.87Å; M48-K50 VanDerWaalsContact C-N 3.31Å; M48-K50 PolarHBondContact O-N 3.2Å; M48-E51 PolarHBondContact O-N 2.73Å; M48-R52 VanDerWaalsContact O-CB 3.31Å; M48-R52 WeakPolarHBondContact O-CB 3.43Å; M48-R52 WeakPolarHBondContact O-CD 3.48Å; M48-R52 WeakPolarHBondContact O-CG 3.28Å; M48-R52 PolarHBondContact O-N 3.15Å; M48-L65 HydrophobicContact CB-CD1 4.26Å; M48-L65 HydrophobicContact CE-CD1 4.14Å; M48-P109 HydrophobicContact CG-CB 4.01Å; M48-P109 HydrophobicContact CG-CG 3.96Å; M48-P109 HydrophobicContact SD-CB 3.62Å; M48-P109 HydrophobicContact SD-CG 3.95Å; M48-W112 HydrophobicContact SD-CE3 4.23Å; M48-I146 HydrophobicContact CG-CD1 4.48Å; M48-F165 HydrophobicContact CE-CE1 3.84Å; M48-F165 HydrophobicContact CE-CZ 3.85Å
49	N	96.9	Very high	96.2	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-29.1	177.4	-82.5	-9.7	0	0	0	112.5	V45 R46 A47 A53 L65 K195 E203	V45-N49 VanDerWaalsContact O-CB 3.23Å; V45-N49 WeakPolarHBondContact O-CB 3.06Å; V45-N49 PolarHBondContact O-N 3.3Å; R46-N49 PolarHBondContact O-N 3.05Å; A47-N49 VanDerWaalsContact C-N 3.32Å; A47-N49 PolarHBondContact O-N 3.26Å; N49-A53 PolarHBondContact O-N 2.81Å; N49-L65 PolarHBondContact ND2-O 2.9Å; N49-L65 WeakPolarHBondContact OD1-CB 3.48Å; N49-L65 PolarHBondContact OD1-N 3.35Å; N49-K195 HydrophobicContact CB-CD 4.11Å; N49-K195 WeakPolarHBondContact O-CD 3.45Å; N49-K195 VanDerWaalsContact O-CE 3.27Å; N49-K195 WeakPolarHBondContact O-CE 3.42Å; N49-K195 PolarHBondContact O-NZ 3.17Å; N49-E203 PolarHBondContact ND2-OE1 2.93Å
50	K	95.8	Very high	96.1	Very high	129 Å²	129	36.8 Å²	36.8	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-68.3	-49.8	171.5	-178.5	-170.8	169.4	-160.1	0	110.8	R46 A47 M48 R52 A53 N54	R46-K50 WeakPolarHBondContact O-CB 3.45Å; R46-K50 PolarHBondContact O-N 3.39Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 3.17Å; M48-K50 VanDerWaalsContact C-N 3.31Å; M48-K50 PolarHBondContact O-N 3.2Å; K50-R52 PolarHBondContact O-N 3.12Å; K50-A53 WeakPolarHBondContact O-CB 3.43Å; K50-A53 PolarHBondContact O-N 3.32Å; K50-N54 PolarHBondContact O-N 3.39Å; K50-N54 PolarHBondContact O-ND2 2.65Å
51	E	97.2	Very high	96	Very high	47 Å²	47	33.9 Å²	33.9	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-38.4	-178.3	-55	-47.1	130.4	0	0	111.9	A47 M48 A53 N54 V55 P109 A110 A113	A47-E51 WeakPolarHBondContact O-CG 3.35Å; A47-E51 PolarHBondContact O-N 3.02Å; M48-E51 PolarHBondContact O-N 2.73Å; E51-A53 VanDerWaalsContact C-N 3.26Å; E51-A53 PolarHBondContact O-N 3.43Å; E51-N54 PolarHBondContact O-N 3.13Å; E51-V55 PolarHBondContact O-N 2.8Å; E51-P109 HydrophobicContact CG-CB 4.13Å; E51-A110 HydrophobicContact CG-CB 4.33Å; E51-A113 HydrophobicContact CB-CB 3.56Å; E51-A113 HydrophobicContact CG-CB 4.45Å
52	R	96.9	Very high	95.9	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-31.9	173.4	-74.9	168.1	67.2	83.7	-2.6	113.8	M48 K50 N54 V55 M62 G63 S138 Y140	M48-R52 VanDerWaalsContact O-CB 3.31Å; M48-R52 WeakPolarHBondContact O-CB 3.43Å; M48-R52 WeakPolarHBondContact O-CD 3.48Å; M48-R52 WeakPolarHBondContact O-CG 3.28Å; M48-R52 PolarHBondContact O-N 3.15Å; K50-R52 PolarHBondContact O-N 3.12Å; R52-N54 VanDerWaalsContact C-N 3.34Å; R52-V55 WeakPolarHBondContact O-CG1 3.33Å; R52-M62 HydrophobicContact CB-CG 4.01Å; R52-M62 HydrophobicContact CB-SD 3.91Å; R52-M62 HydrophobicContact CG-SD 4.24Å; R52-M62 VanDerWaalsContact CZ-SD 3.55Å; R52-M62 PolarHBondContact NH2-SD 3.1Å; R52-M62 WeakPolarHBondContact O-CE 3.47Å; R52-M62 WeakPolarHBondContact O-CG 3.26Å; R52-G63 PolarHBondContact NE-O 3.01Å; R52-G63 PolarHBondContact NH2-O 3.23Å; R52-S138 WeakPolarHBondContact CG-O 3.5Å; R52-S138 PolarHBondContact NH1-O 3.18Å; R52-Y140 VanDerWaalsContact CZ-O 3.25Å; R52-Y140 PolarHBondContact NH1-O 2.83Å; R52-Y140 PolarHBondContact NH2-O 2.04Å
53	A	94.3	Very high	95.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-70	-33	174.6	0	0	0	0	0	112.6	N49 K50 E51 Q181 E194 K195	N49-A53 PolarHBondContact O-N 2.81Å; K50-A53 WeakPolarHBondContact O-CB 3.43Å; K50-A53 PolarHBondContact O-N 3.32Å; E51-A53 VanDerWaalsContact C-N 3.26Å; E51-A53 PolarHBondContact O-N 3.43Å; A53-Q181 PolarHBondContact O-NE2 3.22Å; A53-E194 HydrophobicContact CB-CB 4.11Å; A53-K195 HydrophobicContact CB-CD 4.45Å; A53-K195 HydrophobicContact CB-CG 4.08Å
54	N	94	Very high	95.7	Very high	98 Å²	98	29.6 Å²	29.6	52%	0.524	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	17.7	-171.5	-70.2	-79.7	0	0	0	113.7	K50 E51 R52	K50-N54 PolarHBondContact O-N 3.39Å; K50-N54 PolarHBondContact O-ND2 2.65Å; E51-N54 PolarHBondContact O-N 3.13Å; R52-N54 VanDerWaalsContact C-N 3.34Å
55	V	95	Very high	95.6	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.03	17%	0.167	C	C	.	.			trans	-62.2	144.3	-177.2	-66.1	0	0	0	0	112.6	E51 R52 G57 G58 A59 M62 T139 Y176	E51-V55 PolarHBondContact O-N 2.8Å; R52-V55 WeakPolarHBondContact O-CG1 3.33Å; V55-G57 PolarHBondContact O-N 3.38Å; V55-G58 PolarHBondContact O-N 2.04Å; V55-A59 HydrophobicContact CG2-CB 3.58Å; V55-M62 HydrophobicContact CG1-CE 4.05Å; V55-M62 HydrophobicContact CG2-CE 3.81Å; V55-T139 HydrophobicContact CG1-CG2 3.58Å; V55-Y176 HydrophobicContact CB-CD1 4.4Å; V55-Y176 HydrophobicContact CB-CE1 3.71Å; V55-Y176 HydrophobicContact CB-CE2 4.24Å; V55-Y176 HydrophobicContact CG1-CE1 4.11Å; V55-Y176 HydrophobicContact CG2-CD1 4.07Å; V55-Y176 HydrophobicContact CG2-CD2 3.99Å; V55-Y176 HydrophobicContact CG2-CE1 3.76Å; V55-Y176 HydrophobicContact CG2-CE2 3.64Å; V55-Y176 HydrophobicContact CG2-CG 4.19Å
56	P	94.1	Very high	95.5	Very high	45 Å²	45	32 Å²	32	29%	0.292	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	122.4	-172.6	-31.4	38.5	0	0	0	115	P115 T121 Y176 K178	P56-P115 HydrophobicContact CG-CG 4.02Å; P56-T121 HydrophobicContact CB-CG2 4.31Å; P56-Y176 PolarHBondContact O-OH 2.76Å; P56-K178 WeakPolarHBondContact O-CE 3.49Å
57	G	93.1	Very high	95.6	Very high	57 Å²	57	29.5 Å²	29.5	59%	0.588	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	5.6	-178	0	0	0	0	0	115	V55 G179	V55-G57 PolarHBondContact O-N 3.38Å; G57-G179 PolarHBondContact O-N 2.8Å
58	G	93	Very high	95.6	Very high	13 Å²	13	30.7 Å²	30.7	13%	0.134	18%	0.175	C	C	.	.			trans	71.6	159.4	-178.8	0	0	0	0	0	112.9	V55 K178 G179	V55-G58 PolarHBondContact O-N 2.04Å; G58-K178 WeakPolarHBondContact O-CA 3.42Å; G58-G179 CarbonylContact C-O 3.16Å; G58-G179 WeakPolarHBondContact CA-O 3.47Å; G58-G179 PolarHBondContact O-N 3.14Å; G58-G179 VanDerWaalsContact O-N 3.15Å
59	A	95	Very high	95.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-131.7	117.2	-179	0	0	0	0	0	112.1	V55 N61 M62 Y176 E177 G179 Q181	V55-A59 HydrophobicContact CG2-CB 3.58Å; A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 3.12Å; A59-M62 HydrophobicContact CB-CB 3.73Å; A59-M62 HydrophobicContact CB-CE 3.79Å; A59-Y176 HydrophobicContact CB-CD2 3.55Å; A59-Y176 HydrophobicContact CB-CE2 4.27Å; A59-Y176 HydrophobicContact CB-CG 3.88Å; A59-E177 CarbonylContact C-O 3.57Å; A59-E177 WeakPolarHBondContact CA-O 3.42Å; A59-G179 PolarHBondContact N-O 2.91Å; A59-Q181 WeakPolarHBondContact O-CA 3.28Å
60	K	95.1	Very high	95.6	Very high	72 Å²	72	36.3 Å²	36.3	31%	0.313	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.8	-177.1	-56.6	-177.9	172.9	161.4	0	113.5	E177 K178 S180 C182 S183 S184	K60-E177 HydrophobicContact CB-CB 4.39Å; K60-E177 HydrophobicContact CD-CB 4.44Å; K60-E177 PolarHBondContact N-O 3.03Å; K60-K178 WeakPolarHBondContact CE-O 3.39Å; K60-S180 WeakPolarHBondContact CA-O 3.27Å; K60-C182 CarbonylContact O-C 3.5Å; K60-C182 VanDerWaalsContact O-CA 3.28Å; K60-C182 WeakPolarHBondContact O-CA 3.46Å; K60-C182 PolarHBondContact O-N 2.71Å; K60-S183 WeakPolarHBondContact CB-OG 3.24Å; K60-S183 VanDerWaalsContact CG-OG 3.28Å; K60-S183 WeakPolarHBondContact CG-OG 3.39Å; K60-S183 PolarHBondContact O-N 2.9Å; K60-S184 CarbonylContact O-C 3.51Å; K60-S184 WeakPolarHBondContact O-CA 3.45Å; K60-S184 PolarHBondContact O-N 3.17Å
61	N	94.9	Very high	95.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.027	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	5.7	-165.4	64.3	-4.5	0	0	0	113.8	A59 G63 Y141 R143 E177	A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 3.12Å; N61-G63 PolarHBondContact O-N 3.43Å; N61-G63 VanDerWaalsContact O-N 3.12Å; N61-Y141 HydrophobicContact CB-CD2 4.3Å; N61-Y141 WeakPolarHBondContact OD1-CB 3.42Å; N61-R143 PolarHBondContact O-NH2 3.02Å; N61-E177 VanDerWaalsContact ND2-CG 3.35Å; N61-E177 WeakPolarHBondContact ND2-CG 3.26Å; N61-E177 PolarHBondContact ND2-OE1 2.95Å; N61-E177 PolarHBondContact OD1-N 2.86Å; N61-E177 VanDerWaalsContact OD1-N 3.17Å
62	M	96.6	Very high	95.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	18%	0.181	C	C	.	.			trans	-56.9	115.4	-171.5	-173.6	63	67	0	0	112.4	R52 V55 A59 T139 Y176 K195 C196	R52-M62 HydrophobicContact CB-CG 4.01Å; R52-M62 HydrophobicContact CB-SD 3.91Å; R52-M62 HydrophobicContact CG-SD 4.24Å; R52-M62 VanDerWaalsContact CZ-SD 3.55Å; R52-M62 PolarHBondContact NH2-SD 3.1Å; R52-M62 WeakPolarHBondContact O-CE 3.47Å; R52-M62 WeakPolarHBondContact O-CG 3.26Å; V55-M62 HydrophobicContact CG1-CE 4.05Å; V55-M62 HydrophobicContact CG2-CE 3.81Å; A59-M62 HydrophobicContact CB-CB 3.73Å; A59-M62 HydrophobicContact CB-CE 3.79Å; M62-T139 WeakPolarHBondContact CE-O 3.39Å; M62-Y176 HydrophobicContact CE-CD1 3.87Å; M62-Y176 HydrophobicContact CE-CG 3.92Å; M62-K195 HydrophobicContact CG-CG 4.17Å; M62-K195 CarbonylContact O-C 3.49Å; M62-K195 WeakPolarHBondContact O-CA 3.37Å; M62-C196 PolarHBondContact O-N 3.43Å
63	G	95.4	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-83.2	148	178.5	0	0	0	0	0	113.9	R52 N61 Y141	R52-G63 PolarHBondContact NE-O 3.01Å; R52-G63 PolarHBondContact NH2-O 3.23Å; N61-G63 PolarHBondContact O-N 3.43Å; N61-G63 VanDerWaalsContact O-N 3.12Å; G63-Y141 VanDerWaalsContact CA-O 3.25Å; G63-Y141 WeakPolarHBondContact CA-O 3.37Å; G63-Y141 PolarHBondContact N-O 3.1Å
64	C	94.6	Very high	95.8	Very high	16 Å²	16	35.1 Å²	35.1	11%	0.108	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-73.5	143.9	172.1	-51.4	0	0	0	0	111.7	K195 C196 C197	C64-K195 WeakPolarHBondContact SG-CB 3.47Å; C64-C196 PolarHBondContact N-O 3.27Å; C64-C196 VanDerWaalsContact N-O 3.09Å; C64-C196 PolarHBondContact SG-O 2.76Å; C64-C197 HydrophobicContact CB-CB 3.94Å; C64-C197 WeakPolarHBondContact CB-SG 3.3Å; C64-C197 WeakPolarHBondContact SG-CA 3.08Å; C64-C197 WeakPolarHBondContact SG-CB 3.46Å; C64-C197 PolarHBondContact SG-N 3.37Å; C64-C197 VanDerWaalsContact SG-N 3.41Å; C64-C197 CovalentContact SG-SG 2.03Å; C64-C197 PolarHBondContact SG-SG 3.19Å
65	L	96.3	Very high	95.9	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	152.9	165.9	-61.1	177.5	0	0	0	110.1	V45 M48 N49 G144 I146 F165	V45-L65 WeakPolarHBondContact CG1-O 3.38Å; M48-L65 HydrophobicContact CB-CD1 4.26Å; M48-L65 HydrophobicContact CE-CD1 4.14Å; N49-L65 PolarHBondContact ND2-O 2.9Å; N49-L65 WeakPolarHBondContact OD1-CB 3.48Å; N49-L65 PolarHBondContact OD1-N 3.35Å; L65-G144 CarbonylContact C-O 3.56Å; L65-G144 VanDerWaalsContact CA-O 3.31Å; L65-G144 WeakPolarHBondContact CA-O 3.44Å; L65-I146 HydrophobicContact CB-CG2 4.47Å; L65-F165 HydrophobicContact CD1-CD1 4.32Å; L65-F165 HydrophobicContact CD1-CE1 3.93Å
66	A	96.5	Very high	95.9	Very high	48 Å²	48	32 Å²	32	40%	0.397	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.2	172.9	0	0	0	0	0	111.1	G144 K145 I146	A66-G144 PolarHBondContact N-O 3.22Å; A66-K145 HydrophobicContact CB-CG 4.35Å; A66-K145 CarbonylContact O-C 3.59Å; A66-K145 WeakPolarHBondContact O-CA 3.46Å; A66-I146 PolarHBondContact O-N 2.91Å
67	W	97.7	Very high	95.9	Very high	44 Å²	44	33.5 Å²	33.5	17%	0.167	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.9	176.7	-175.4	-111.6	0	0	0	112	L36 G41 V45 A72 C148	L36-W67 HydrophobicContact CB-CH2 3.83Å; L36-W67 HydrophobicContact CB-CZ2 4.24Å; L36-W67 HydrophobicContact CD1-CH2 4.45Å; G41-W67 VanDerWaalsContact C-CE3 3.5Å; V45-W67 HydrophobicContact CG2-CB 4.11Å; V45-W67 HydrophobicContact CG2-CE3 4.13Å; W67-A72 HydrophobicContact CH2-CB 3.84Å; W67-A72 HydrophobicContact CZ2-CB 3.63Å; W67-C148 HydrophobicContact CH2-CB 4.38Å; W67-C148 VanDerWaalsContact CH2-N 3.27Å; W67-C148 HydrophobicContact CZ3-CB 4.38Å
68	K	98.1	Very high	95.9	Very high	47 Å²	47	31.1 Å²	31.1	20%	0.204	18%	0.179	C	C	.	.			trans	-146.2	111.2	170.7	174.3	171.7	164.9	-158.8	0	110.6	S70 L71 A72 K145 I146 E166	K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 VanDerWaalsContact CE-OG 3.26Å; K68-S70 WeakPolarHBondContact CE-OG 3.41Å; K68-S70 WeakPolarHBondContact CG-OG 3.37Å; K68-S70 PolarHBondContact O-N 3.43Å; K68-L71 HydrophobicContact CB-CB 4.44Å; K68-L71 HydrophobicContact CB-CD1 4.15Å; K68-L71 HydrophobicContact CB-CG 4.31Å; K68-L71 HydrophobicContact CD-CD1 3.9Å; K68-L71 HydrophobicContact CD-CG 3.86Å; K68-L71 HydrophobicContact CG-CB 4.44Å; K68-L71 HydrophobicContact CG-CD1 4.32Å; K68-L71 HydrophobicContact CG-CG 4.08Å; K68-L71 WeakPolarHBondContact O-CB 3.38Å; K68-L71 PolarHBondContact O-N 3.33Å; K68-A72 PolarHBondContact O-N 2.59Å; K68-K145 HydrophobicContact CB-CB 3.71Å; K68-K145 HydrophobicContact CB-CD 4.06Å; K68-K145 HydrophobicContact CB-CG 4.26Å; K68-K145 HydrophobicContact CD-CB 3.94Å; K68-K145 HydrophobicContact CD-CD 3.52Å; K68-K145 HydrophobicContact CD-CG 4.33Å; K68-K145 HydrophobicContact CG-CD 4.34Å; K68-I146 PolarHBondContact N-O 2.88Å; K68-E166 IonicContact NZ-OE1 3.02Å; K68-E166 PolarHBondContact NZ-OE1 2.76Å
69	A	97.7	Very high	96	Very high	54 Å²	54	30.5 Å²	30.5	45%	0.446	17%	0.173	S	C	.	.	H	α-helix	trans	-55.6	-37.7	-178.1	0	0	0	0	0	113.7	L71 A72 E73	A69-L71 VanDerWaalsContact C-N 3.3Å; A69-L71 PolarHBondContact O-N 2.03Å; A69-A72 WeakPolarHBondContact O-CA 3.27Å; A69-A72 VanDerWaalsContact O-CB 3.24Å; A69-A72 WeakPolarHBondContact O-CB 3.15Å; A69-A72 PolarHBondContact O-N 3.37Å; A69-E73 PolarHBondContact O-N 2.75Å; A69-E73 VanDerWaalsContact O-N 3.14Å
70	S	97.1	Very high	95.9	Very high	66 Å²	66	34.8 Å²	34.8	46%	0.462	19%	0.193	S	C	.	.	H	α-helix	trans	-64.8	-31.4	176.9	42.6	0	0	0	0	113.8	K68 A72 E73 D74	K68-S70 VanDerWaalsContact C-N 3.29Å; K68-S70 VanDerWaalsContact CE-OG 3.26Å; K68-S70 WeakPolarHBondContact CE-OG 3.41Å; K68-S70 WeakPolarHBondContact CG-OG 3.37Å; K68-S70 PolarHBondContact O-N 3.43Å; S70-A72 PolarHBondContact O-N 3.19Å; S70-E73 PolarHBondContact O-N 3.18Å; S70-D74 PolarHBondContact O-N 3.48Å
71	L	97.9	Very high	95.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.5	-21.7	170.8	-71.1	176.2	0	0	0	112.2	K68 A69 A75 Y91 K145 A164 E166	K68-L71 HydrophobicContact CB-CB 4.44Å; K68-L71 HydrophobicContact CB-CD1 4.15Å; K68-L71 HydrophobicContact CB-CG 4.31Å; K68-L71 HydrophobicContact CD-CD1 3.9Å; K68-L71 HydrophobicContact CD-CG 3.86Å; K68-L71 HydrophobicContact CG-CB 4.44Å; K68-L71 HydrophobicContact CG-CD1 4.32Å; K68-L71 HydrophobicContact CG-CG 4.08Å; K68-L71 WeakPolarHBondContact O-CB 3.38Å; K68-L71 PolarHBondContact O-N 3.33Å; A69-L71 VanDerWaalsContact C-N 3.3Å; A69-L71 PolarHBondContact O-N 2.03Å; L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 2.73Å; L71-Y91 HydrophobicContact CD2-CD1 4.08Å; L71-Y91 HydrophobicContact CD2-CD2 4.09Å; L71-Y91 HydrophobicContact CD2-CE1 3.68Å; L71-Y91 HydrophobicContact CD2-CE2 3.69Å; L71-Y91 HydrophobicContact CD2-CG 4.27Å; L71-Y91 VanDerWaalsContact CD2-CZ 3.44Å; L71-K145 HydrophobicContact CD1-CB 3.8Å; L71-K145 WeakPolarHBondContact CD1-O 3.5Å; L71-A164 HydrophobicContact CB-CB 4.25Å; L71-A164 HydrophobicContact CD2-CB 4.32Å; L71-A164 WeakPolarHBondContact O-CB 3.06Å; L71-E166 HydrophobicContact CD1-CB 3.98Å
72	A	98.1	Very high	95.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-76.6	-33.2	174.8	0	0	0	0	0	111.1	A35 W67 K68 A69 S70 A75 K76	A35-A72 HydrophobicContact CB-CB 3.89Å; W67-A72 HydrophobicContact CH2-CB 3.84Å; W67-A72 HydrophobicContact CZ2-CB 3.63Å; K68-A72 PolarHBondContact O-N 2.59Å; A69-A72 WeakPolarHBondContact O-CA 3.27Å; A69-A72 VanDerWaalsContact O-CB 3.24Å; A69-A72 WeakPolarHBondContact O-CB 3.15Å; A69-A72 PolarHBondContact O-N 3.37Å; S70-A72 PolarHBondContact O-N 3.19Å; A72-A75 PolarHBondContact O-N 2.9Å; A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 PolarHBondContact O-N 2.98Å
73	E	96.4	Very high	94.5	Very high	99 Å²	99	42.3 Å²	42.3	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-71.3	-39.5	168.9	-57.6	-53.9	148.4	0	0	112.1	A69 S70 A75 K76 T77	A69-E73 PolarHBondContact O-N 2.75Å; A69-E73 VanDerWaalsContact O-N 3.14Å; S70-E73 PolarHBondContact O-N 3.18Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 2.67Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 2.88Å; E73-T77 PolarHBondContact O-N 2.78Å; E73-T77 PolarHBondContact O-OG1 2.8Å
74	D	94.8	Very high	93.8	Very high	54 Å²	54	47.1 Å²	47.1	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-57.2	-43.3	169	-73.6	-54.9	0	0	0	110.5	S70 V78 Y91	S70-D74 PolarHBondContact O-N 3.48Å; D74-V78 VanDerWaalsContact O-CG2 3.23Å; D74-V78 WeakPolarHBondContact O-CG2 3.43Å; D74-V78 PolarHBondContact O-N 3.5Å; D74-Y91 HydrophobicContact CB-CE2 4.22Å; D74-Y91 VanDerWaalsContact OD2-CE2 3.3Å; D74-Y91 WeakPolarHBondContact OD2-CE2 3.38Å; D74-Y91 PolarHBondContact OD2-OH 3.16Å
75	A	96.6	Very high	92.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-38.2	174.4	0	0	0	0	0	112.9	L71 A72 E73 T77 V78 A79 A149 A164	L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 2.73Å; A72-A75 PolarHBondContact O-N 2.9Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 2.67Å; A75-T77 VanDerWaalsContact C-N 3.32Å; A75-T77 PolarHBondContact O-N 2.99Å; A75-V78 WeakPolarHBondContact O-CB 3.4Å; A75-V78 PolarHBondContact O-N 2.8Å; A75-V78 VanDerWaalsContact O-N 3.15Å; A75-A79 PolarHBondContact O-N 3.22Å; A75-A149 HydrophobicContact CB-CB 3.97Å; A75-A164 HydrophobicContact CB-CB 4.17Å
76	K	95.7	Very high	92.2	Very high	36 Å²	36	52.2 Å²	52.2	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-58.4	-45.8	176.3	-170.7	-171.1	178.8	-178.4	0	110.2	E31 V33 A72 E73 V78 A79 E80 A149	E31-K76 IonicContact OE2-NZ 2.69Å; E31-K76 PolarHBondContact OE2-NZ 2.81Å; E31-K76 VanDerWaalsContact OE2-NZ 3.17Å; V33-K76 HydrophobicContact CG1-CG 3.81Å; V33-K76 VanDerWaalsContact O-CE 3.22Å; V33-K76 WeakPolarHBondContact O-CE 3.06Å; A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 PolarHBondContact O-N 2.98Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 2.88Å; K76-V78 PolarHBondContact O-N 3.38Å; K76-A79 WeakPolarHBondContact O-CB 3.04Å; K76-A79 PolarHBondContact O-N 3.23Å; K76-E80 VanDerWaalsContact CE-OE1 3.26Å; K76-E80 WeakPolarHBondContact CE-OE1 3.02Å; K76-E80 WeakPolarHBondContact O-CG 2.95Å; K76-E80 PolarHBondContact O-N 3.26Å; K76-A149 HydrophobicContact CB-CB 3.93Å; K76-A149 VanDerWaalsContact N-CB 3.3Å
77	T	93.3	Very high	91.3	Very high	78 Å²	78	55.7 Å²	55.7	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-58.3	-35.1	177.9	-53.1	0	0	0	0	112	E73 A75 N81	E73-T77 PolarHBondContact O-N 2.78Å; E73-T77 PolarHBondContact O-OG1 2.8Å; A75-T77 VanDerWaalsContact C-N 3.32Å; A75-T77 PolarHBondContact O-N 2.99Å; T77-N81 PolarHBondContact O-ND2 3.41Å
78	V	93.6	Very high	90.6	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-72.2	-46.3	173.2	-160.3	0	0	0	0	111.4	D74 A75 K76 E80 N81 C82 M86 Y93 V162	D74-V78 VanDerWaalsContact O-CG2 3.23Å; D74-V78 WeakPolarHBondContact O-CG2 3.43Å; D74-V78 PolarHBondContact O-N 3.5Å; A75-V78 WeakPolarHBondContact O-CB 3.4Å; A75-V78 PolarHBondContact O-N 2.8Å; A75-V78 VanDerWaalsContact O-N 3.15Å; K76-V78 PolarHBondContact O-N 3.38Å; V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 2.78Å; V78-N81 CarbonylContact O-C 3.6Å; V78-N81 PolarHBondContact O-N 2.69Å; V78-N81 VanDerWaalsContact O-N 3.1Å; V78-C82 PolarHBondContact O-N 2.67Å; V78-M86 HydrophobicContact CB-SD 3.94Å; V78-M86 HydrophobicContact CG1-CG 4.16Å; V78-M86 HydrophobicContact CG1-SD 3.61Å; V78-M86 HydrophobicContact CG2-CE 4.34Å; V78-M86 HydrophobicContact CG2-SD 3.18Å; V78-M86 WeakPolarHBondContact CG2-SD 3.01Å; V78-Y93 HydrophobicContact CG2-CD1 3.83Å; V78-Y93 HydrophobicContact CG2-CE1 3.32Å; V78-V162 HydrophobicContact CB-CG1 3.96Å; V78-V162 HydrophobicContact CB-CG2 4.36Å; V78-V162 HydrophobicContact CG1-CG1 4.12Å; V78-V162 HydrophobicContact CG1-CG2 4.41Å; V78-V162 HydrophobicContact CG2-CG1 4.24Å
79	A	94.4	Very high	90.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.1	-40.9	-178.1	0	0	0	0	0	111	V33 A75 K76 N81 C82 A149 N151 V162	V33-A79 HydrophobicContact CG1-CB 3.85Å; A75-A79 PolarHBondContact O-N 3.22Å; K76-A79 WeakPolarHBondContact O-CB 3.04Å; K76-A79 PolarHBondContact O-N 3.23Å; A79-N81 PolarHBondContact O-N 3.09Å; A79-C82 PolarHBondContact O-N 3.01Å; A79-A149 HydrophobicContact CB-CB 4.29Å; A79-N151 HydrophobicContact CB-CB 3.99Å; A79-N151 VanDerWaalsContact O-CB 3.27Å; A79-N151 WeakPolarHBondContact O-CB 3.42Å; A79-N151 PolarHBondContact O-ND2 2.99Å; A79-V162 HydrophobicContact CB-CG2 4.1Å
80	E	93.3	Very high	90	Very high	92 Å²	92	63.6 Å²	63.6	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-54.3	-38.7	174.4	-74.8	171.5	-179	0	0	112.9	V33 K76 V78 C82	V33-E80 HydrophobicContact CB-CG 3.85Å; V33-E80 HydrophobicContact CG1-CB 4.41Å; V33-E80 HydrophobicContact CG1-CG 3.51Å; V33-E80 HydrophobicContact CG2-CG 3.84Å; K76-E80 VanDerWaalsContact CE-OE1 3.26Å; K76-E80 WeakPolarHBondContact CE-OE1 3.02Å; K76-E80 WeakPolarHBondContact O-CG 2.95Å; K76-E80 PolarHBondContact O-N 3.26Å; V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 2.78Å; E80-C82 VanDerWaalsContact C-N 3.32Å
81	N	90.1	Very high	89.9	Confident	88 Å²	88	63 Å²	63	47%	0.471	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	2.3	-179.4	-75.9	-77.6	0	0	0	113.6	T77 V78 A79 F83 I84	T77-N81 PolarHBondContact O-ND2 3.41Å; V78-N81 CarbonylContact O-C 3.6Å; V78-N81 PolarHBondContact O-N 2.69Å; V78-N81 VanDerWaalsContact O-N 3.1Å; A79-N81 PolarHBondContact O-N 3.09Å; N81-F83 PolarHBondContact O-N 3.22Å; N81-I84 HydrophobicContact CB-CB 4.31Å; N81-I84 HydrophobicContact CB-CD1 4.08Å; N81-I84 HydrophobicContact CB-CG1 4.41Å; N81-I84 WeakPolarHBondContact O-CG1 3.43Å
82	C	88.4	Confident	89.8	Confident	26 Å²	26	63.1 Å²	63.1	18%	0.176	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-133	-177.5	-59.4	0	0	0	0	112.5	V78 A79 E80 I84 C154 F160	V78-C82 PolarHBondContact O-N 2.67Å; A79-C82 PolarHBondContact O-N 3.01Å; E80-C82 VanDerWaalsContact C-N 3.32Å; C82-I84 PolarHBondContact O-N 2.86Å; C82-C154 VanDerWaalsContact CA-SG 3.5Å; C82-C154 HydrophobicContact CB-CB 3.84Å; C82-C154 WeakPolarHBondContact CB-SG 3.48Å; C82-C154 WeakPolarHBondContact SG-CA 3.38Å; C82-C154 WeakPolarHBondContact SG-CB 3.43Å; C82-C154 CovalentContact SG-SG 2.04Å; C82-C154 PolarHBondContact SG-SG 3.43Å; C82-F160 VanDerWaalsContact C-CE1 3.46Å; C82-F160 VanDerWaalsContact O-CE1 3.23Å; C82-F160 WeakPolarHBondContact O-CE1 3.34Å; C82-F160 VanDerWaalsContact O-CZ 3.3Å; C82-F160 WeakPolarHBondContact O-CZ 3.16Å
83	F	79	Confident	89.7	Confident	121 Å²	121	65 Å²	65	53%	0.531	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	6.3	-166.8	-59.4	-82.1	0	0	0	115.9	N81 S85 T97 C154 F160	N81-F83 PolarHBondContact O-N 3.22Å; F83-S85 PolarHBondContact O-N 2.03Å; F83-T97 HydrophobicContact CE1-CG2 4.23Å; F83-T97 HydrophobicContact CZ-CG2 4.47Å; F83-C154 HydrophobicContact CE2-CB 4.3Å; F83-F160 HydrophobicContact CD1-CD2 4.1Å; F83-F160 AromaticContact CD1-CE2 3.61Å; F83-F160 HydrophobicContact CD1-CE2 3.61Å; F83-F160 HydrophobicContact CD1-CZ 4.33Å; F83-F160 AromaticContact CE1-CD2 3.64Å; F83-F160 HydrophobicContact CE1-CD2 3.64Å; F83-F160 AromaticContact CE1-CE2 3.61Å; F83-F160 HydrophobicContact CE1-CE2 3.61Å; F83-F160 HydrophobicContact CG-CE2 4.34Å; F83-F160 AromaticContact CZ-CD2 3.97Å; F83-F160 HydrophobicContact CZ-CD2 3.97Å; F83-F160 HydrophobicContact CZ-CE2 4.33Å
84	I	80.7	Confident	89.7	Confident	101 Å²	101	60.5 Å²	60.5	52%	0.518	32%	0.321	S	S	.	.			trans	-55.3	134.9	176.9	-69.1	-172	0	0	0	111.6	N81 C82 K95	N81-I84 HydrophobicContact CB-CB 4.31Å; N81-I84 HydrophobicContact CB-CD1 4.08Å; N81-I84 HydrophobicContact CB-CG1 4.41Å; N81-I84 WeakPolarHBondContact O-CG1 3.43Å; C82-I84 PolarHBondContact O-N 2.86Å; I84-K95 PolarHBondContact O-NZ 2.92Å
85	S	76.5	Confident	89.7	Confident	70 Å²	70	60.8 Å²	60.8	49%	0.49	32%	0.32	S	S	.	.			trans	-78.5	150	179.9	-162.4	0	0	0	0	112.5	F83 D87	F83-S85 PolarHBondContact O-N 2.03Å; S85-D87 VanDerWaalsContact CB-OD2 3.32Å; S85-D87 WeakPolarHBondContact CB-OD2 3.32Å; S85-D87 PolarHBondContact OG-OD1 3.47Å; S85-D87 PolarHBondContact OG-OD2 3.32Å
86	M	79.9	Confident	89.6	Confident	66 Å²	66	61.9 Å²	61.9	33%	0.325	33%	0.328	S	S	.	.			trans	-124.1	40	178	-67.8	-164.7	79.3	0	0	112.1	V78 N88 S89 Y93	V78-M86 HydrophobicContact CB-SD 3.94Å; V78-M86 HydrophobicContact CG1-CG 4.16Å; V78-M86 HydrophobicContact CG1-SD 3.61Å; V78-M86 HydrophobicContact CG2-CE 4.34Å; V78-M86 HydrophobicContact CG2-SD 3.18Å; V78-M86 WeakPolarHBondContact CG2-SD 3.01Å; M86-N88 PolarHBondContact O-N 2.9Å; M86-N88 VanDerWaalsContact O-N 3.12Å; M86-S89 WeakPolarHBondContact O-CB 3.37Å; M86-S89 PolarHBondContact O-N 3.24Å; M86-Y93 HydrophobicContact CB-CD2 3.77Å; M86-Y93 HydrophobicContact CB-CE2 4.01Å; M86-Y93 HydrophobicContact CE-CE2 3.62Å; M86-Y93 HydrophobicContact CG-CD2 4.42Å; M86-Y93 HydrophobicContact CG-CE2 4.4Å; M86-Y93 HydrophobicContact SD-CD1 4.49Å; M86-Y93 HydrophobicContact SD-CD2 3.86Å; M86-Y93 HydrophobicContact SD-CE1 4.13Å; M86-Y93 HydrophobicContact SD-CE2 3.42Å; M86-Y93 WeakPolarHBondContact SD-CE2 3.16Å; M86-Y93 HydrophobicContact SD-CG 4.35Å; M86-Y93 VanDerWaalsContact SD-CZ 3.56Å
87	D	77.6	Confident	89.5	Confident	120 Å²	120	63.4 Å²	63.4	64%	0.642	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.8	-177.7	-64.7	-55.1	0	0	0	113.1	S85 S89 K168	S85-D87 VanDerWaalsContact CB-OD2 3.32Å; S85-D87 WeakPolarHBondContact CB-OD2 3.32Å; S85-D87 PolarHBondContact OG-OD1 3.47Å; S85-D87 PolarHBondContact OG-OD2 3.32Å; D87-S89 VanDerWaalsContact C-N 3.34Å; D87-S89 PolarHBondContact O-N 2.86Å; D87-K168 PolarHBondContact O-NZ 3.32Å
88	N	84.1	Confident	89.6	Confident	171 Å²	171	60.6 Å²	60.6	91%	0.914	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.4	179.5	-65.4	-22.6	0	0	0	114.7	M86	M86-N88 PolarHBondContact O-N 2.9Å; M86-N88 VanDerWaalsContact O-N 3.12Å
89	S	90.2	Very high	89.6	Confident	26 Å²	26	65.3 Å²	65.3	18%	0.182	34%	0.342	C	S	.	.			trans	-75	148.2	177.7	-170.3	0	0	0	0	112.5	M86 D87 Y91 Y93 K168	M86-S89 WeakPolarHBondContact O-CB 3.37Å; M86-S89 PolarHBondContact O-N 3.24Å; D87-S89 VanDerWaalsContact C-N 3.34Å; D87-S89 PolarHBondContact O-N 2.86Å; S89-Y91 VanDerWaalsContact C-N 3.31Å; S89-Y91 PolarHBondContact OG-N 3.19Å; S89-Y91 VanDerWaalsContact OG-N 3.14Å; S89-Y93 WeakPolarHBondContact OG-CE2 3.38Å; S89-K168 WeakPolarHBondContact O-CD 3.5Å; S89-K168 PolarHBondContact O-NZ 3.41Å
90	T	92.4	Very high	89.4	Confident	115 Å²	115	67 Å²	67	71%	0.706	36%	0.36	S	S	*	.	S	Bend	trans	-74	-22.2	168.4	50.7	0	0	0	0	112.6	K168	T90-K168 WeakPolarHBondContact O-CB 3.44Å
91	Y	95.2	Very high	89.4	Confident	54 Å²	54	69 Å²	69	21%	0.212	37%	0.369	C	S	.	.	S	Bend	trans	-82.2	149.1	173.8	-58.7	-39.4	0	0	0	111.6	L71 D74 S89 F165	L71-Y91 HydrophobicContact CD2-CD1 4.08Å; L71-Y91 HydrophobicContact CD2-CD2 4.09Å; L71-Y91 HydrophobicContact CD2-CE1 3.68Å; L71-Y91 HydrophobicContact CD2-CE2 3.69Å; L71-Y91 HydrophobicContact CD2-CG 4.27Å; L71-Y91 VanDerWaalsContact CD2-CZ 3.44Å; D74-Y91 HydrophobicContact CB-CE2 4.22Å; D74-Y91 VanDerWaalsContact OD2-CE2 3.3Å; D74-Y91 WeakPolarHBondContact OD2-CE2 3.38Å; D74-Y91 PolarHBondContact OD2-OH 3.16Å; S89-Y91 VanDerWaalsContact C-N 3.31Å; S89-Y91 PolarHBondContact OG-N 3.19Å; S89-Y91 VanDerWaalsContact OG-N 3.14Å; Y91-F165 WeakPolarHBondContact CA-O 3.16Å; Y91-F165 WeakPolarHBondContact CB-O 3.25Å
92	G	96.1	Very high	89.5	Confident	1 Å²	1	66 Å²	66	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.9	166	0	0	0	0	0	109.2	A164 F165	G92-A164 CarbonylContact O-C 3.59Å; G92-F165 PolarHBondContact N-O 2.91Å; G92-F165 PolarHBondContact O-N 3.38Å
93	Y	95.7	Very high	89.8	Confident	40 Å²	40	70 Å²	70	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.4	175	-74.3	-78.8	0	0	0	110.4	V78 M86 S89 V162 C163 A164	V78-Y93 HydrophobicContact CG2-CD1 3.83Å; V78-Y93 HydrophobicContact CG2-CE1 3.32Å; M86-Y93 HydrophobicContact CB-CD2 3.77Å; M86-Y93 HydrophobicContact CB-CE2 4.01Å; M86-Y93 HydrophobicContact CE-CE2 3.62Å; M86-Y93 HydrophobicContact CG-CD2 4.42Å; M86-Y93 HydrophobicContact CG-CE2 4.4Å; M86-Y93 HydrophobicContact SD-CD1 4.49Å; M86-Y93 HydrophobicContact SD-CD2 3.86Å; M86-Y93 HydrophobicContact SD-CE1 4.13Å; M86-Y93 HydrophobicContact SD-CE2 3.42Å; M86-Y93 WeakPolarHBondContact SD-CE2 3.16Å; M86-Y93 HydrophobicContact SD-CG 4.35Å; M86-Y93 VanDerWaalsContact SD-CZ 3.56Å; S89-Y93 WeakPolarHBondContact OG-CE2 3.38Å; Y93-V162 HydrophobicContact CD1-CG1 3.83Å; Y93-C163 WeakPolarHBondContact CA-O 3.35Å; Y93-A164 HydrophobicContact CD1-CB 3.94Å; Y93-A164 HydrophobicContact CE1-CB 3.43Å; Y93-A164 VanDerWaalsContact CE1-CB 3.43Å
94	L	95.7	Very high	90.7	Very high	5 Å²	5	67.6 Å²	67.6	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.4	168.4	-62.8	-172.4	0	0	0	110.2	W112 D134 Q137 V162 C163 F165	L94-W112 HydrophobicContact CB-CD2 3.93Å; L94-W112 HydrophobicContact CB-CE3 4Å; L94-W112 HydrophobicContact CB-CH2 3.54Å; L94-W112 HydrophobicContact CB-CZ2 3.44Å; L94-W112 VanDerWaalsContact CB-CZ2 3.44Å; L94-W112 HydrophobicContact CB-CZ3 3.81Å; L94-W112 HydrophobicContact CD1-CB 4.32Å; L94-W112 HydrophobicContact CD1-CD2 3.68Å; L94-W112 HydrophobicContact CD1-CE3 3.66Å; L94-W112 HydrophobicContact CD1-CG 4Å; L94-W112 HydrophobicContact CD1-CZ3 4.19Å; L94-W112 HydrophobicContact CG-CD2 4.46Å; L94-W112 HydrophobicContact CG-CE3 4.49Å; L94-D134 HydrophobicContact CD2-CB 4.42Å; L94-Q137 HydrophobicContact CD1-CB 4.12Å; L94-Q137 HydrophobicContact CD1-CG 4.07Å; L94-Q137 HydrophobicContact CD2-CB 3.83Å; L94-Q137 HydrophobicContact CD2-CG 3.86Å; L94-Q137 HydrophobicContact CG-CB 4.15Å; L94-Q137 HydrophobicContact CG-CG 3.81Å; L94-V162 WeakPolarHBondContact O-CA 3.25Å; L94-C163 PolarHBondContact N-O 3Å; L94-C163 PolarHBondContact O-N 3.19Å; L94-F165 HydrophobicContact CB-CE2 4.02Å; L94-F165 HydrophobicContact CD1-CE2 3.77Å; L94-F165 HydrophobicContact CD1-CZ 3.95Å; L94-F165 HydrophobicContact CG-CD2 4.39Å; L94-F165 HydrophobicContact CG-CE2 3.77Å; L94-F165 HydrophobicContact CG-CZ 4.45Å
95	K	94.8	Very high	91.4	Very high	61 Å²	61	62.9 Å²	62.9	27%	0.265	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.4	-174.4	-64.2	174.9	174.8	-178	0	108.7	I84 W112 F160 F161 V162	I84-K95 PolarHBondContact O-NZ 2.92Å; K95-W112 PolarHBondContact O-NE1 3.02Å; K95-F160 HydrophobicContact CB-CE2 4.32Å; K95-F160 HydrophobicContact CD-CE2 4.16Å; K95-F160 HydrophobicContact CD-CZ 3.86Å; K95-F160 HydrophobicContact CG-CE2 4.39Å; K95-F160 HydrophobicContact CG-CZ 4.18Å; K95-F161 CarbonylContact C-O 3.48Å; K95-F161 VanDerWaalsContact CA-O 3.31Å; K95-F161 WeakPolarHBondContact CA-O 3.42Å; K95-V162 HydrophobicContact CG-CG1 4.48Å; K95-V162 HydrophobicContact CG-CG2 4.36Å
96	S	94.9	Very high	92.4	Very high	22 Å²	22	62.2 Å²	62.2	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.5	173.2	-168.9	0	0	0	0	109.8	F161	S96-F161 PolarHBondContact N-O 3.46Å; S96-F161 PolarHBondContact O-N 2.94Å
97	T	94.6	Very high	93.3	Very high	68 Å²	68	62.8 Å²	62.8	42%	0.417	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	134.6	-173.1	48.2	0	0	0	0	111.6	F83 P157 Y159 F160	F83-T97 HydrophobicContact CE1-CG2 4.23Å; F83-T97 HydrophobicContact CZ-CG2 4.47Å; T97-P157 VanDerWaalsContact CB-CG 3.44Å; T97-P157 HydrophobicContact CG2-CG 3.76Å; T97-Y159 VanDerWaalsContact CA-O 3.29Å; T97-Y159 WeakPolarHBondContact CA-O 3.35Å; T97-F160 HydrophobicContact CG2-CD2 3.8Å
98	W	94.5	Very high	94.2	Very high	20 Å²	20	57.2 Å²	57.2	8%	0.076	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	172.4	177.2	67.5	89.9	0	0	0	112.6	E101 F102 Q104 Y105 V108 D158 Y159 F161	W98-E101 PolarHBondContact NE1-O 3.39Å; W98-F102 WeakPolarHBondContact CZ2-O 3.35Å; W98-Q104 HydrophobicContact CD2-CB 4.17Å; W98-Q104 HydrophobicContact CG-CB 3.96Å; W98-Y105 VanDerWaalsContact CH2-CB 3.46Å; W98-V108 HydrophobicContact CE3-CG2 4.19Å; W98-V108 HydrophobicContact CZ3-CG2 3.81Å; W98-D158 PolarHBondContact O-N 3.07Å; W98-Y159 AromaticContact CD1-CD2 4Å; W98-Y159 AromaticContact CE2-CD2 4Å; W98-Y159 AromaticContact CE2-CG 3.72Å; W98-Y159 HydrophobicContact CZ2-CD1 4.08Å; W98-Y159 HydrophobicContact CZ2-CD2 4.45Å; W98-Y159 AromaticContact CZ2-CG 3.82Å; W98-Y159 HydrophobicContact CZ2-CG 3.82Å; W98-Y159 PolarHBondContact N-O 2.83Å; W98-Y159 AromaticContact NE1-CD2 3.42Å; W98-Y159 AromaticContact NE1-CG 3.65Å; W98-Y159 PolarHBondContact O-N 3.27Å; W98-F161 HydrophobicContact CE3-CB 4.36Å; W98-F161 HydrophobicContact CH2-CB 3.58Å; W98-F161 HydrophobicContact CH2-CD1 4.46Å; W98-F161 AromaticContact CH2-CD2 3.77Å; W98-F161 HydrophobicContact CH2-CD2 3.77Å; W98-F161 AromaticContact CH2-CG 3.72Å; W98-F161 HydrophobicContact CH2-CG 3.72Å; W98-F161 HydrophobicContact CZ3-CB 3.31Å; W98-F161 HydrophobicContact CZ3-CD1 4.19Å; W98-F161 HydrophobicContact CZ3-CD2 4.25Å; W98-F161 AromaticContact CZ3-CG 3.7Å; W98-F161 HydrophobicContact CZ3-CG 3.7Å
99	Q	92.8	Very high	94.9	Very high	105 Å²	105	49.1 Å²	49.1	49%	0.491	26%	0.259	S	S	.	.	S	Bend	trans	-122.1	154.2	176.6	-62.8	-161.2	-85.3	0	0	110.7	Q104 P157 D158	Q99-Q104 PolarHBondContact O-NE2 3.02Å; Q99-Q104 PolarHBondContact O-OE1 2.9Å; Q99-P157 HydrophobicContact CG-CB 3.63Å; Q99-D158 WeakPolarHBondContact CA-OD2 3.47Å; Q99-D158 VanDerWaalsContact CB-OD2 3.26Å; Q99-D158 WeakPolarHBondContact CB-OD2 3.04Å; Q99-D158 PolarHBondContact NE2-OD1 2.99Å
100	G	90.4	Very high	95.3	Very high	35 Å²	35	49.6 Å²	49.6	36%	0.361	27%	0.265	S	S	.	.	S	Bend	trans	85.5	-139.8	-174.3	0	0	0	0	0	112.8	D158 Y159	G100-D158 PolarHBondContact N-OD2 3.01Å; G100-Y159 VanDerWaalsContact O-CE2 3.25Å; G100-Y159 WeakPolarHBondContact O-CE2 3.02Å
101	E	92.8	Very high	95.5	Very high	133 Å²	133	48.4 Å²	48.4	62%	0.621	26%	0.257	S	S	*	.			trans	-66.2	150.1	-166.2	-49.1	-45.9	126.2	0	0	115.2	W98 E103	W98-E101 PolarHBondContact NE1-O 3.39Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.82Å
102	F	93.6	Very high	95.6	Very high	26 Å²	26	46 Å²	46	11%	0.114	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.5	-39.9	178.6	167.2	-109.8	0	0	0	112	L36 H40 W98 Q104 Y105 Y150 Y159	L36-F102 HydrophobicContact CD2-CE2 3.89Å; L36-F102 HydrophobicContact CD2-CZ 3.64Å; H40-F102 AromaticContact CE1-CE1 3.6Å; H40-F102 AromaticContact ND1-CE1 3.55Å; H40-F102 AromaticContact ND1-CZ 3.64Å; W98-F102 WeakPolarHBondContact CZ2-O 3.35Å; F102-Q104 PolarHBondContact O-N 3.47Å; F102-Y105 HydrophobicContact CD1-CD1 4.36Å; F102-Y105 HydrophobicContact CD1-CE1 4.42Å; F102-Y105 AromaticContact CE1-CD1 3.98Å; F102-Y105 HydrophobicContact CE1-CD1 3.98Å; F102-Y105 AromaticContact CE1-CE1 3.8Å; F102-Y105 HydrophobicContact CE1-CE1 3.8Å; F102-Y105 HydrophobicContact CE2-CD1 4.43Å; F102-Y105 HydrophobicContact CZ-CD1 4.02Å; F102-Y105 HydrophobicContact CZ-CE1 4.09Å; F102-Y105 WeakPolarHBondContact O-CD1 3.35Å; F102-Y105 PolarHBondContact O-N 3.34Å; F102-Y150 HydrophobicContact CD2-CD1 4.45Å; F102-Y150 HydrophobicContact CD2-CE1 4.22Å; F102-Y150 AromaticContact CE2-CD1 3.74Å; F102-Y150 HydrophobicContact CE2-CD1 3.74Å; F102-Y150 AromaticContact CE2-CE1 3.52Å; F102-Y150 HydrophobicContact CE2-CE1 3.52Å; F102-Y150 HydrophobicContact CE2-CG 4.47Å; F102-Y150 HydrophobicContact CZ-CE1 4.27Å; F102-Y159 HydrophobicContact CB-CE1 4.25Å; F102-Y159 HydrophobicContact CD2-CD1 4.41Å; F102-Y159 AromaticContact CD2-CE1 3.81Å; F102-Y159 HydrophobicContact CD2-CE1 3.81Å
103	E	95.1	Very high	95.6	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.1	-17.5	-173.7	-69.6	65.6	-146.7	0	0	113.5	E101 Y105 L106	E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.82Å; E103-Y105 PolarHBondContact O-N 2.81Å; E103-L106 PolarHBondContact O-N 3.14Å; E103-L106 VanDerWaalsContact O-N 3.1Å
104	Q	96	Very high	95.6	Very high	71 Å²	71	48.6 Å²	48.6	33%	0.332	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-59.7	-16.2	172.9	-63.2	-177.1	30.9	0	0	113	W98 Q99 F102 L106 T107	W98-Q104 HydrophobicContact CD2-CB 4.17Å; W98-Q104 HydrophobicContact CG-CB 3.96Å; Q99-Q104 PolarHBondContact O-NE2 3.02Å; Q99-Q104 PolarHBondContact O-OE1 2.9Å; F102-Q104 PolarHBondContact O-N 3.47Å; Q104-L106 PolarHBondContact O-N 3.06Å; Q104-L106 VanDerWaalsContact O-N 3.1Å; Q104-T107 WeakPolarHBondContact O-CB 3.31Å; Q104-T107 PolarHBondContact O-N 2.96Å; Q104-T107 PolarHBondContact O-OG1 2.99Å
105	Y	97.1	Very high	95.6	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.012	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-52.1	-30	170.8	88.3	-80.2	0	0	0	112.8	L36 H40 E43 F44 W98 F102 E103 T107 V108 F161	L36-Y105 HydrophobicContact CD1-CD2 3.92Å; L36-Y105 HydrophobicContact CD1-CE2 3.88Å; H40-Y105 WeakPolarHBondContact CA-OH 3.46Å; H40-Y105 HydrophobicContact CB-CE2 4.2Å; H40-Y105 WeakPolarHBondContact CB-OH 3.4Å; H40-Y105 PolarHBondContact O-OH 3.12Å; E43-Y105 PolarHBondContact OE2-OH 3.45Å; F44-Y105 HydrophobicContact CB-CE2 4.12Å; F44-Y105 AromaticContact CD2-CD2 3.73Å; F44-Y105 HydrophobicContact CD2-CD2 3.73Å; F44-Y105 HydrophobicContact CD2-CE2 4.14Å; F44-Y105 HydrophobicContact CE2-CD2 4.49Å; F44-Y105 WeakPolarHBondContact CE2-O 3.48Å; W98-Y105 VanDerWaalsContact CH2-CB 3.46Å; F102-Y105 HydrophobicContact CD1-CD1 4.36Å; F102-Y105 HydrophobicContact CD1-CE1 4.42Å; F102-Y105 AromaticContact CE1-CD1 3.98Å; F102-Y105 HydrophobicContact CE1-CD1 3.98Å; F102-Y105 AromaticContact CE1-CE1 3.8Å; F102-Y105 HydrophobicContact CE1-CE1 3.8Å; F102-Y105 HydrophobicContact CE2-CD1 4.43Å; F102-Y105 HydrophobicContact CZ-CD1 4.02Å; F102-Y105 HydrophobicContact CZ-CE1 4.09Å; F102-Y105 WeakPolarHBondContact O-CD1 3.35Å; F102-Y105 PolarHBondContact O-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.81Å; Y105-T107 VanDerWaalsContact C-N 3.27Å; Y105-T107 PolarHBondContact O-N 2.82Å; Y105-V108 WeakPolarHBondContact O-CB 3.47Å; Y105-V108 WeakPolarHBondContact O-CG2 3.43Å; Y105-V108 PolarHBondContact O-N 3.04Å; Y105-F161 HydrophobicContact CD2-CE2 4.42Å; Y105-F161 HydrophobicContact CD2-CZ 4.37Å
106	L	97.7	Very high	95.5	Very high	55 Å²	55	50.3 Å²	50.3	29%	0.288	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-73.6	-11.6	176.9	-64.2	172.8	0	0	0	114.5	E43 E103 Q104 P109	E43-L106 HydrophobicContact CB-CD2 4.25Å; E43-L106 HydrophobicContact CG-CD1 4.39Å; E43-L106 HydrophobicContact CG-CD2 3.65Å; E43-L106 WeakPolarHBondContact OE1-CD1 3.16Å; E103-L106 PolarHBondContact O-N 3.14Å; E103-L106 VanDerWaalsContact O-N 3.1Å; Q104-L106 PolarHBondContact O-N 3.06Å; Q104-L106 VanDerWaalsContact O-N 3.1Å; L106-P109 WeakPolarHBondContact O-CD 3.32Å
107	T	97.2	Very high	95.5	Very high	79 Å²	79	56.3 Å²	56.3	49%	0.485	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-85.6	-23.3	174.3	70.7	0	0	0	0	112.4	Q104 Y105 A110 T111	Q104-T107 WeakPolarHBondContact O-CB 3.31Å; Q104-T107 PolarHBondContact O-N 2.96Å; Q104-T107 PolarHBondContact O-OG1 2.99Å; Y105-T107 VanDerWaalsContact C-N 3.27Å; Y105-T107 PolarHBondContact O-N 2.82Å; T107-A110 PolarHBondContact O-N 2.71Å; T107-T111 PolarHBondContact O-N 2.94Å; T107-T111 VanDerWaalsContact O-N 3.16Å; T107-T111 PolarHBondContact O-OG1 2.75Å
108	V	97.9	Very high	95.5	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-39.7	-177.3	-179.9	0	0	0	0	113.7	F44 W98 Y105 A110 T111 W112 F161	F44-V108 HydrophobicContact CE2-CB 4.21Å; F44-V108 HydrophobicContact CZ-CG1 4.47Å; W98-V108 HydrophobicContact CE3-CG2 4.19Å; W98-V108 HydrophobicContact CZ3-CG2 3.81Å; Y105-V108 WeakPolarHBondContact O-CB 3.47Å; Y105-V108 WeakPolarHBondContact O-CG2 3.43Å; Y105-V108 PolarHBondContact O-N 3.04Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 2.76Å; V108-T111 WeakPolarHBondContact O-CB 3.16Å; V108-T111 PolarHBondContact O-N 2.84Å; V108-W112 HydrophobicContact CG1-CD2 3.52Å; V108-W112 HydrophobicContact CG1-CE3 3.79Å; V108-W112 HydrophobicContact CG1-CG 4.2Å; V108-W112 HydrophobicContact CG1-CH2 3.67Å; V108-W112 HydrophobicContact CG1-CZ2 3.38Å; V108-W112 HydrophobicContact CG1-CZ3 3.87Å; V108-W112 PolarHBondContact O-N 3.27Å; V108-F161 HydrophobicContact CG1-CD1 4.29Å; V108-F161 HydrophobicContact CG1-CE1 4.31Å; V108-F161 HydrophobicContact CG2-CD1 4.46Å
109	P	98.3	Very high	95.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-55.2	-45.1	174.7	-30.3	39.5	0	0	0	113.6	F44 A47 M48 E51 L106 A113	F44-P109 HydrophobicContact CD2-CG 3.98Å; F44-P109 HydrophobicContact CE1-CG 4.35Å; F44-P109 HydrophobicContact CE2-CG 3.59Å; F44-P109 HydrophobicContact CZ-CG 3.78Å; A47-P109 HydrophobicContact CB-CB 4.11Å; A47-P109 HydrophobicContact CB-CG 3.79Å; M48-P109 HydrophobicContact CG-CB 4.01Å; M48-P109 HydrophobicContact CG-CG 3.96Å; M48-P109 HydrophobicContact SD-CB 3.62Å; M48-P109 HydrophobicContact SD-CG 3.95Å; E51-P109 HydrophobicContact CG-CB 4.13Å; L106-P109 WeakPolarHBondContact O-CD 3.32Å; P109-A113 WeakPolarHBondContact O-CB 3.48Å; P109-A113 PolarHBondContact O-N 2.84Å
110	A	97.7	Very high	95.6	Very high	37 Å²	37	51.9 Å²	51.9	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-37.5	178.3	0	0	0	0	0	111.5	E51 T107 V108 T114	E51-A110 HydrophobicContact CG-CB 4.33Å; T107-A110 PolarHBondContact O-N 2.71Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 2.76Å; A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 PolarHBondContact O-N 2.88Å; A110-T114 VanDerWaalsContact O-N 3.12Å; A110-T114 PolarHBondContact O-OG1 2.93Å
111	T	96.9	Very high	95.7	Very high	89 Å²	89	52.3 Å²	52.3	55%	0.546	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-48.3	174	-53.4	0	0	0	0	112.1	T107 V108	T107-T111 PolarHBondContact O-N 2.94Å; T107-T111 VanDerWaalsContact O-N 3.16Å; T107-T111 PolarHBondContact O-OG1 2.75Å; V108-T111 WeakPolarHBondContact O-CB 3.16Å; V108-T111 PolarHBondContact O-N 2.84Å
112	W	97.4	Very high	95.6	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-70.7	-40.5	179.3	-67.7	-25.7	0	0	0	112.3	F44 M48 L94 K95 V108 T114 D134 F135 S138 F161 C163 F165	F44-W112 HydrophobicContact CE1-CZ3 4.21Å; F44-W112 HydrophobicContact CZ-CE3 4.36Å; F44-W112 HydrophobicContact CZ-CH2 4.36Å; F44-W112 AromaticContact CZ-CZ3 3.72Å; F44-W112 HydrophobicContact CZ-CZ3 3.72Å; M48-W112 HydrophobicContact SD-CE3 4.23Å; L94-W112 HydrophobicContact CB-CD2 3.93Å; L94-W112 HydrophobicContact CB-CE3 4Å; L94-W112 HydrophobicContact CB-CH2 3.54Å; L94-W112 HydrophobicContact CB-CZ2 3.44Å; L94-W112 VanDerWaalsContact CB-CZ2 3.44Å; L94-W112 HydrophobicContact CB-CZ3 3.81Å; L94-W112 HydrophobicContact CD1-CB 4.32Å; L94-W112 HydrophobicContact CD1-CD2 3.68Å; L94-W112 HydrophobicContact CD1-CE3 3.66Å; L94-W112 HydrophobicContact CD1-CG 4Å; L94-W112 HydrophobicContact CD1-CZ3 4.19Å; L94-W112 HydrophobicContact CG-CD2 4.46Å; L94-W112 HydrophobicContact CG-CE3 4.49Å; K95-W112 PolarHBondContact O-NE1 3.02Å; V108-W112 HydrophobicContact CG1-CD2 3.52Å; V108-W112 HydrophobicContact CG1-CE3 3.79Å; V108-W112 HydrophobicContact CG1-CG 4.2Å; V108-W112 HydrophobicContact CG1-CH2 3.67Å; V108-W112 HydrophobicContact CG1-CZ2 3.38Å; V108-W112 HydrophobicContact CG1-CZ3 3.87Å; V108-W112 PolarHBondContact O-N 3.27Å; W112-T114 VanDerWaalsContact C-N 3.29Å; W112-T114 PolarHBondContact O-N 3.06Å; W112-D134 HydrophobicContact CB-CB 4.44Å; W112-D134 HydrophobicContact CG-CB 4.31Å; W112-F135 WeakPolarHBondContact O-CA 3.38Å; W112-F135 PolarHBondContact O-N 2.78Å; W112-S138 PolarHBondContact O-OG 2.94Å; W112-S138 VanDerWaalsContact O-OG 3.13Å; W112-F161 HydrophobicContact CH2-CD1 4.16Å; W112-F161 HydrophobicContact CH2-CE1 4.04Å; W112-F161 HydrophobicContact CZ2-CD1 4.48Å; W112-C163 HydrophobicContact CH2-CB 3.79Å; W112-C163 HydrophobicContact CZ3-CB 3.91Å; W112-F165 HydrophobicContact CE3-CZ 4.49Å; W112-F165 HydrophobicContact CZ3-CE2 4.28Å; W112-F165 HydrophobicContact CZ3-CZ 4.31Å
113	A	96.8	Very high	95.6	Very high	8 Å²	8	56.7 Å²	56.7	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-81.1	-2.1	-176.3	0	0	0	0	0	114.7	E51 P109 F135 T139	E51-A113 HydrophobicContact CB-CB 3.56Å; E51-A113 HydrophobicContact CG-CB 4.45Å; P109-A113 WeakPolarHBondContact O-CB 3.48Å; P109-A113 PolarHBondContact O-N 2.84Å; A113-F135 WeakPolarHBondContact O-CD2 3.44Å; A113-F135 WeakPolarHBondContact O-CE2 3.34Å; A113-T139 HydrophobicContact CB-CG2 4.16Å
114	T	95.8	Very high	95.5	Very high	87 Å²	87	52.3 Å²	52.3	53%	0.534	29%	0.288	S	S	.	.	S	Bend	trans	-89.7	123	171.8	-62	0	0	0	0	110	A110 W112 N116	A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 PolarHBondContact O-N 2.88Å; A110-T114 VanDerWaalsContact O-N 3.12Å; A110-T114 PolarHBondContact O-OG1 2.93Å; W112-T114 VanDerWaalsContact C-N 3.29Å; W112-T114 PolarHBondContact O-N 3.06Å; T114-N116 PolarHBondContact O-N 2.86Å
115	P	94.6	Very high	95.3	Very high	33 Å²	33	55.2 Å²	55.2	21%	0.214	30%	0.299	C	S	.	.			trans	-68.5	131.3	174.4	30	-33.6	0	0	0	109.7	P56 F119 T121 F135	P56-P115 HydrophobicContact CG-CG 4.02Å; P115-F119 HydrophobicContact CB-CB 4Å; P115-F119 HydrophobicContact CB-CD1 3.79Å; P115-F119 HydrophobicContact CB-CG 4.27Å; P115-T121 HydrophobicContact CB-CG2 4.35Å; P115-T121 HydrophobicContact CG-CG2 4.06Å; P115-F135 HydrophobicContact CB-CD1 4.48Å; P115-F135 HydrophobicContact CB-CD2 3.96Å; P115-F135 HydrophobicContact CB-CE1 4.47Å; P115-F135 HydrophobicContact CB-CE2 3.92Å; P115-F135 HydrophobicContact CB-CG 4.23Å; P115-F135 HydrophobicContact CB-CZ 4.19Å; P115-F135 HydrophobicContact CG-CD2 4.5Å; P115-F135 HydrophobicContact CG-CE2 4.11Å; P115-F135 HydrophobicContact CG-CZ 4.48Å
116	N	93.2	Very high	95.2	Very high	70 Å²	70	57 Å²	57	37%	0.374	31%	0.312	S	S	.	.			trans	-85.8	-176.9	172	65.5	19.6	0	0	0	110.8	T114 D118 F119 R131	T114-N116 PolarHBondContact O-N 2.86Å; N116-D118 PolarHBondContact O-N 2.77Å; N116-D118 WeakPolarHBondContact OD1-CB 3.37Å; N116-D118 PolarHBondContact OD1-N 3.2Å; N116-F119 PolarHBondContact O-N 3Å; N116-R131 PolarHBondContact ND2-O 3.1Å
117	Q	94.4	Very high	94.9	Very high	147 Å²	147	59.8 Å²	59.8	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-8	-179.1	74	-85.6	-21.7	0	0	115.2	K127	Q117-K127 VanDerWaalsContact O-CE 3.31Å; Q117-K127 WeakPolarHBondContact O-CE 3.39Å; Q117-K127 PolarHBondContact O-NZ 3.45Å
118	D	94.9	Very high	94.4	Very high	31 Å²	31	64.7 Å²	64.7	17%	0.166	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-12.6	-177.9	-68.9	-18.7	0	0	0	113.6	N116 C126 K127 G130 R131	N116-D118 PolarHBondContact O-N 2.77Å; N116-D118 WeakPolarHBondContact OD1-CB 3.37Å; N116-D118 PolarHBondContact OD1-N 3.2Å; D118-C126 CarbonylContact O-C 3.58Å; D118-C126 WeakPolarHBondContact O-CA 3.27Å; D118-K127 PolarHBondContact O-N 3.16Å; D118-G130 VanDerWaalsContact CG-CA 3.49Å; D118-G130 WeakPolarHBondContact OD2-CA 3.32Å; D118-R131 PolarHBondContact OD2-N 2.9Å
119	F	95.7	Very high	93.8	Very high	11 Å²	11	70.4 Å²	70.4	5%	0.048	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.1	173.1	-173.5	-99.3	0	0	0	111.1	P115 N116 T121 M124 C132 F135 L136 P175	P115-F119 HydrophobicContact CB-CB 4Å; P115-F119 HydrophobicContact CB-CD1 3.79Å; P115-F119 HydrophobicContact CB-CG 4.27Å; N116-F119 PolarHBondContact O-N 3Å; F119-T121 HydrophobicContact CD1-CG2 3.95Å; F119-T121 HydrophobicContact CE1-CG2 4.13Å; F119-T121 PolarHBondContact O-N 2.9Å; F119-M124 HydrophobicContact CE1-SD 4.05Å; F119-M124 HydrophobicContact CZ-CB 4.29Å; F119-M124 HydrophobicContact CZ-CE 4.35Å; F119-M124 HydrophobicContact CZ-SD 3.85Å; F119-C132 HydrophobicContact CB-CB 3.89Å; F119-C132 HydrophobicContact CD2-CB 4.37Å; F119-F135 HydrophobicContact CB-CD1 4.45Å; F119-F135 AromaticContact CD1-CD1 3.9Å; F119-F135 HydrophobicContact CD1-CD1 3.9Å; F119-F135 AromaticContact CD1-CE1 3.54Å; F119-F135 HydrophobicContact CD1-CE1 3.54Å; F119-F135 HydrophobicContact CD1-CZ 4.19Å; F119-F135 AromaticContact CD2-CD1 3.88Å; F119-F135 HydrophobicContact CD2-CD1 3.88Å; F119-F135 HydrophobicContact CD2-CE1 4.08Å; F119-F135 HydrophobicContact CE1-CD1 4.07Å; F119-F135 AromaticContact CE1-CE1 3.32Å; F119-F135 HydrophobicContact CE1-CE1 3.32Å; F119-F135 AromaticContact CE1-CZ 3.97Å; F119-F135 HydrophobicContact CE1-CZ 3.97Å; F119-F135 HydrophobicContact CE2-CD1 4.06Å; F119-F135 AromaticContact CE2-CE1 3.9Å; F119-F135 HydrophobicContact CE2-CE1 3.9Å; F119-F135 AromaticContact CG-CD1 3.79Å; F119-F135 HydrophobicContact CG-CD1 3.79Å; F119-F135 AromaticContact CG-CE1 3.92Å; F119-F135 HydrophobicContact CG-CE1 3.92Å; F119-F135 HydrophobicContact CZ-CD1 4.14Å; F119-F135 AromaticContact CZ-CE1 3.51Å; F119-F135 HydrophobicContact CZ-CE1 3.51Å; F119-F135 HydrophobicContact CZ-CZ 4.48Å; F119-L136 HydrophobicContact CD2-CD2 4.15Å; F119-L136 HydrophobicContact CE2-CD2 3.73Å; F119-P175 HydrophobicContact CE2-CG 4.44Å; F119-P175 HydrophobicContact CZ-CG 4.2Å
120	D	93.9	Very high	93.1	Very high	58 Å²	58	71.1 Å²	71.1	31%	0.31	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.5	170.3	174.8	7.5	0	0	0	109.5	E122 T123 M124 K125	D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.37Å; D120-E122 WeakPolarHBondContact OD1-CB 3.22Å; D120-E122 PolarHBondContact OD1-N 3.34Å; D120-T123 PolarHBondContact OD1-N 2.86Å; D120-T123 VanDerWaalsContact OD2-CB 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.49Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.45Å; D120-T123 PolarHBondContact OD2-N 3.36Å; D120-T123 PolarHBondContact OD2-OG1 3.43Å; D120-M124 VanDerWaalsContact O-CA 3.25Å; D120-M124 WeakPolarHBondContact O-CA 3.37Å; D120-M124 PolarHBondContact O-N 3.45Å; D120-K125 PolarHBondContact N-O 2.98Å; D120-K125 PolarHBondContact O-N 3.34Å
121	T	92.2	Very high	92.7	Very high	45 Å²	45	78.8 Å²	78.8	28%	0.276	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.6	178.4	76	0	0	0	0	112.8	P56 P115 F119 K178	P56-T121 HydrophobicContact CB-CG2 4.31Å; P115-T121 HydrophobicContact CB-CG2 4.35Å; P115-T121 HydrophobicContact CG-CG2 4.06Å; F119-T121 HydrophobicContact CD1-CG2 3.95Å; F119-T121 HydrophobicContact CE1-CG2 4.13Å; F119-T121 PolarHBondContact O-N 2.9Å; T121-K178 VanDerWaalsContact O-CE 3.28Å; T121-K178 WeakPolarHBondContact O-CE 3.36Å; T121-K178 PolarHBondContact O-NZ 2.81Å
122	E	91.6	Very high	92.6	Very high	174 Å²	174	74.7 Å²	74.7	81%	0.813	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-50	-179.8	-62.3	-169.7	169.6	0	0	110.6	D120	D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3.37Å; D120-E122 WeakPolarHBondContact OD1-CB 3.22Å; D120-E122 PolarHBondContact OD1-N 3.34Å
123	T	93.1	Very high	92.4	Very high	77 Å²	77	79.6 Å²	79.6	47%	0.472	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.5	178.5	66.1	0	0	0	0	114.3	D120	D120-T123 PolarHBondContact OD1-N 2.86Å; D120-T123 VanDerWaalsContact OD2-CB 3.32Å; D120-T123 WeakPolarHBondContact OD2-CB 3.49Å; D120-T123 WeakPolarHBondContact OD2-CG2 3.45Å; D120-T123 PolarHBondContact OD2-N 3.36Å; D120-T123 PolarHBondContact OD2-OG1 3.43Å
124	M	93.8	Very high	92.3	Very high	16 Å²	16	82.8 Å²	82.8	8%	0.079	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	38.7	-177.3	-68.3	-71.1	-74.8	0	0	113.9	F119 D120 V174 P175 Y176 K178	F119-M124 HydrophobicContact CE1-SD 4.05Å; F119-M124 HydrophobicContact CZ-CB 4.29Å; F119-M124 HydrophobicContact CZ-CE 4.35Å; F119-M124 HydrophobicContact CZ-SD 3.85Å; D120-M124 VanDerWaalsContact O-CA 3.25Å; D120-M124 WeakPolarHBondContact O-CA 3.37Å; D120-M124 PolarHBondContact O-N 3.45Å; M124-V174 HydrophobicContact CB-CB 4.35Å; M124-V174 HydrophobicContact CB-CG1 3.95Å; M124-P175 HydrophobicContact CE-CG 3.92Å; M124-Y176 HydrophobicContact CE-CD1 4.01Å; M124-Y176 HydrophobicContact CE-CD2 3.73Å; M124-Y176 HydrophobicContact CE-CE1 3.77Å; M124-Y176 HydrophobicContact CE-CE2 3.48Å; M124-Y176 VanDerWaalsContact CE-CE2 3.48Å; M124-Y176 HydrophobicContact CE-CG 3.98Å; M124-Y176 VanDerWaalsContact CE-CZ 3.48Å; M124-Y176 WeakPolarHBondContact CE-O 3.26Å; M124-Y176 HydrophobicContact SD-CE2 4.31Å; M124-K178 HydrophobicContact CE-CG 4.22Å; M124-K178 HydrophobicContact CG-CD 3.99Å; M124-K178 HydrophobicContact CG-CG 4.32Å; M124-K178 HydrophobicContact SD-CD 3.78Å; M124-K178 VanDerWaalsContact SD-CE 3.57Å; M124-K178 HydrophobicContact SD-CG 3.92Å
125	K	92.4	Very high	92.3	Very high	133 Å²	133	78.9 Å²	78.9	58%	0.578	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.9	-173.3	-70.3	175.8	-175.9	-178.6	0	113.1	D120	D120-K125 PolarHBondContact N-O 2.98Å; D120-K125 PolarHBondContact O-N 3.34Å
126	C	93.3	Very high	92.4	Very high	40 Å²	40	78.4 Å²	78.4	27%	0.27	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	149.2	159.9	-125.6	0	0	0	0	110.3	D118 C132	D118-C126 CarbonylContact O-C 3.58Å; D118-C126 WeakPolarHBondContact O-CA 3.27Å; C126-C132 VanDerWaalsContact CA-SG 3.51Å; C126-C132 HydrophobicContact CB-CB 4.45Å; C126-C132 WeakPolarHBondContact CB-SG 3.4Å; C126-C132 WeakPolarHBondContact SG-CB 3.31Å; C126-C132 PolarHBondContact SG-N 3.48Å; C126-C132 VanDerWaalsContact SG-N 3.36Å; C126-C132 CovalentContact SG-SG 2.03Å; C126-C132 PolarHBondContact SG-SG 3.39Å
127	K	92.9	Very high	92.6	Very high	114 Å²	114	75.6 Å²	75.6	50%	0.496	39%	0.387	S	S	.	.			trans	-63.6	148.5	157.9	-65.7	174.9	-176.6	166.6	0	109.8	Q117 D118 S129 G130	Q117-K127 VanDerWaalsContact O-CE 3.31Å; Q117-K127 WeakPolarHBondContact O-CE 3.39Å; Q117-K127 PolarHBondContact O-NZ 3.45Å; D118-K127 PolarHBondContact O-N 3.16Å; K127-S129 PolarHBondContact O-N 2.72Å; K127-G130 PolarHBondContact O-N 2.97Å
128	D	86.3	Confident	92.8	Very high	181 Å²	181	68.6 Å²	68.6	97%	0.968	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.7	-172.2	-61.6	-42.2	0	0	0	114.9
129	S	83.9	Confident	92.9	Very high	122 Å²	122	67.1 Å²	67.1	85%	0.853	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	14.9	174.9	71.1	0	0	0	0	113.4	K127	K127-S129 PolarHBondContact O-N 2.72Å
130	G	84.2	Confident	93	Very high	16 Å²	16	67.7 Å²	67.7	17%	0.165	35%	0.348	C	S	.	.			trans	-85.5	158.2	-176.2	0	0	0	0	0	112.9	D118 K127	D118-G130 VanDerWaalsContact CG-CA 3.49Å; D118-G130 WeakPolarHBondContact OD2-CA 3.32Å; K127-G130 PolarHBondContact O-N 2.97Å
131	R	89.7	Confident	93.1	Very high	199 Å²	199	68.7 Å²	68.7	75%	0.751	35%	0.348	S	S	*	.			trans	-111.6	91.4	174.5	-65.9	-174.1	-61.4	153.1	3.6	110.3	N116 D118	N116-R131 PolarHBondContact ND2-O 3.1Å; D118-R131 PolarHBondContact OD2-N 2.9Å
132	C	94.3	Very high	93.2	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.014	35%	0.354	C	S	.	.			trans	-121.5	12.7	176.9	72	0	0	0	0	113.6	F119 C126 D134 F135 L136	F119-C132 HydrophobicContact CB-CB 3.89Å; F119-C132 HydrophobicContact CD2-CB 4.37Å; C126-C132 VanDerWaalsContact CA-SG 3.51Å; C126-C132 HydrophobicContact CB-CB 4.45Å; C126-C132 WeakPolarHBondContact CB-SG 3.4Å; C126-C132 WeakPolarHBondContact SG-CB 3.31Å; C126-C132 PolarHBondContact SG-N 3.48Å; C126-C132 VanDerWaalsContact SG-N 3.36Å; C126-C132 CovalentContact SG-SG 2.03Å; C126-C132 PolarHBondContact SG-SG 3.39Å; C132-D134 VanDerWaalsContact C-N 3.28Å; C132-D134 PolarHBondContact O-N 3Å; C132-F135 WeakPolarHBondContact O-CB 3.08Å; C132-F135 PolarHBondContact O-N 2.93Å; C132-L136 WeakPolarHBondContact O-CG 3.38Å; C132-L136 PolarHBondContact O-N 3.47Å; C132-L136 VanDerWaalsContact SG-CD1 3.58Å
133	D	92.8	Very high	93.3	Very high	107 Å²	107	65.4 Å²	65.4	57%	0.572	33%	0.325	S	S	*	.	H	α-helix	trans	-56.8	-38.7	-176	-59.1	-64.5	0	0	0	113.1	F135 L136 Q137	D133-F135 PolarHBondContact O-N 3.26Å; D133-L136 PolarHBondContact O-N 3.1Å; D133-Q137 VanDerWaalsContact O-CB 3.26Å; D133-Q137 WeakPolarHBondContact O-CB 3.31Å; D133-Q137 PolarHBondContact O-N 2.95Å
134	D	95.3	Very high	93.4	Very high	76 Å²	76	62.3 Å²	62.3	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-45.8	175	-67	-6	0	0	0	111.9	L94 W112 C132 S138	L94-D134 HydrophobicContact CD2-CB 4.42Å; W112-D134 HydrophobicContact CB-CB 4.44Å; W112-D134 HydrophobicContact CG-CB 4.31Å; C132-D134 VanDerWaalsContact C-N 3.28Å; C132-D134 PolarHBondContact O-N 3Å; D134-S138 WeakPolarHBondContact O-CB 3.29Å; D134-S138 PolarHBondContact O-N 2.86Å; D134-S138 PolarHBondContact O-OG 3.04Å
135	F	96.8	Very high	93.6	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-47.3	176	177	-94.8	0	0	0	111.6	W112 A113 P115 F119 C132 D133 Q137 S138 T139 P175 Y176	W112-F135 WeakPolarHBondContact O-CA 3.38Å; W112-F135 PolarHBondContact O-N 2.78Å; A113-F135 WeakPolarHBondContact O-CD2 3.44Å; A113-F135 WeakPolarHBondContact O-CE2 3.34Å; P115-F135 HydrophobicContact CB-CD1 4.48Å; P115-F135 HydrophobicContact CB-CD2 3.96Å; P115-F135 HydrophobicContact CB-CE1 4.47Å; P115-F135 HydrophobicContact CB-CE2 3.92Å; P115-F135 HydrophobicContact CB-CG 4.23Å; P115-F135 HydrophobicContact CB-CZ 4.19Å; P115-F135 HydrophobicContact CG-CD2 4.5Å; P115-F135 HydrophobicContact CG-CE2 4.11Å; P115-F135 HydrophobicContact CG-CZ 4.48Å; F119-F135 HydrophobicContact CB-CD1 4.45Å; F119-F135 AromaticContact CD1-CD1 3.9Å; F119-F135 HydrophobicContact CD1-CD1 3.9Å; F119-F135 AromaticContact CD1-CE1 3.54Å; F119-F135 HydrophobicContact CD1-CE1 3.54Å; F119-F135 HydrophobicContact CD1-CZ 4.19Å; F119-F135 AromaticContact CD2-CD1 3.88Å; F119-F135 HydrophobicContact CD2-CD1 3.88Å; F119-F135 HydrophobicContact CD2-CE1 4.08Å; F119-F135 HydrophobicContact CE1-CD1 4.07Å; F119-F135 AromaticContact CE1-CE1 3.32Å; F119-F135 HydrophobicContact CE1-CE1 3.32Å; F119-F135 AromaticContact CE1-CZ 3.97Å; F119-F135 HydrophobicContact CE1-CZ 3.97Å; F119-F135 HydrophobicContact CE2-CD1 4.06Å; F119-F135 AromaticContact CE2-CE1 3.9Å; F119-F135 HydrophobicContact CE2-CE1 3.9Å; F119-F135 AromaticContact CG-CD1 3.79Å; F119-F135 HydrophobicContact CG-CD1 3.79Å; F119-F135 AromaticContact CG-CE1 3.92Å; F119-F135 HydrophobicContact CG-CE1 3.92Å; F119-F135 HydrophobicContact CZ-CD1 4.14Å; F119-F135 AromaticContact CZ-CE1 3.51Å; F119-F135 HydrophobicContact CZ-CE1 3.51Å; F119-F135 HydrophobicContact CZ-CZ 4.48Å; C132-F135 WeakPolarHBondContact O-CB 3.08Å; C132-F135 PolarHBondContact O-N 2.93Å; D133-F135 PolarHBondContact O-N 3.26Å; F135-Q137 VanDerWaalsContact C-N 3.34Å; F135-Q137 PolarHBondContact O-N 3.22Å; F135-S138 PolarHBondContact O-OG 2.94Å; F135-T139 HydrophobicContact CD2-CG2 3.93Å; F135-T139 HydrophobicContact CE2-CG2 3.65Å; F135-T139 HydrophobicContact CZ-CG2 4.06Å; F135-T139 WeakPolarHBondContact O-CB 3.43Å; F135-T139 WeakPolarHBondContact O-CG2 3.46Å; F135-T139 PolarHBondContact O-N 2.9Å; F135-T139 PolarHBondContact O-OG1 2.91Å; F135-P175 HydrophobicContact CE1-CG 4.14Å; F135-Y176 HydrophobicContact CE1-CE1 4.47Å; F135-Y176 HydrophobicContact CZ-CE1 4.07Å
136	L	96.7	Very high	93.9	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.12	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-45.2	179.8	-72.3	179.5	0	0	0	112	F119 C132 D133 Y140 I169 P175	F119-L136 HydrophobicContact CD2-CD2 4.15Å; F119-L136 HydrophobicContact CE2-CD2 3.73Å; C132-L136 WeakPolarHBondContact O-CG 3.38Å; C132-L136 PolarHBondContact O-N 3.47Å; C132-L136 VanDerWaalsContact SG-CD1 3.58Å; D133-L136 PolarHBondContact O-N 3.1Å; L136-Y140 WeakPolarHBondContact O-CB 3.09Å; L136-Y140 PolarHBondContact O-N 3.27Å; L136-Y140 VanDerWaalsContact O-N 3.17Å; L136-I169 HydrophobicContact CB-CD1 4.17Å; L136-I169 HydrophobicContact CB-CG2 4.26Å; L136-I169 WeakPolarHBondContact O-CD1 3.41Å; L136-P175 HydrophobicContact CD2-CB 4.29Å; L136-P175 HydrophobicContact CD2-CG 3.93Å
137	Q	97	Very high	94.1	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-78.9	-38.9	-176.5	179	59.4	78.3	0	0	112.9	L94 D133 F135 F165 N167 K168 I169	L94-Q137 HydrophobicContact CD1-CB 4.12Å; L94-Q137 HydrophobicContact CD1-CG 4.07Å; L94-Q137 HydrophobicContact CD2-CB 3.83Å; L94-Q137 HydrophobicContact CD2-CG 3.86Å; L94-Q137 HydrophobicContact CG-CB 4.15Å; L94-Q137 HydrophobicContact CG-CG 3.81Å; D133-Q137 VanDerWaalsContact O-CB 3.26Å; D133-Q137 WeakPolarHBondContact O-CB 3.31Å; D133-Q137 PolarHBondContact O-N 2.95Å; F135-Q137 VanDerWaalsContact C-N 3.34Å; F135-Q137 PolarHBondContact O-N 3.22Å; Q137-F165 HydrophobicContact CG-CD2 4.34Å; Q137-N167 PolarHBondContact NE2-O 2.87Å; Q137-K168 VanDerWaalsContact OE1-CA 3.3Å; Q137-I169 HydrophobicContact CB-CG2 4.15Å
138	S	97.6	Very high	94.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-34.4	178.1	60.1	0	0	0	0	112.4	R52 W112 D134 F135	R52-S138 WeakPolarHBondContact CG-O 3.5Å; R52-S138 PolarHBondContact NH1-O 3.18Å; W112-S138 PolarHBondContact O-OG 2.94Å; W112-S138 VanDerWaalsContact O-OG 3.13Å; D134-S138 WeakPolarHBondContact O-CB 3.29Å; D134-S138 PolarHBondContact O-N 2.86Å; D134-S138 PolarHBondContact O-OG 3.04Å; F135-S138 PolarHBondContact O-OG 2.94Å
139	T	97.4	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	7	179.1	68.7	0	0	0	0	114	V55 M62 A113 F135 Y141 P175	V55-T139 HydrophobicContact CG1-CG2 3.58Å; M62-T139 WeakPolarHBondContact CE-O 3.39Å; A113-T139 HydrophobicContact CB-CG2 4.16Å; F135-T139 HydrophobicContact CD2-CG2 3.93Å; F135-T139 HydrophobicContact CE2-CG2 3.65Å; F135-T139 HydrophobicContact CZ-CG2 4.06Å; F135-T139 WeakPolarHBondContact O-CB 3.43Å; F135-T139 WeakPolarHBondContact O-CG2 3.46Å; F135-T139 PolarHBondContact O-N 2.9Å; F135-T139 PolarHBondContact O-OG1 2.91Å; T139-Y141 PolarHBondContact O-N 3.47Å; T139-Y141 VanDerWaalsContact O-N 3.15Å; T139-P175 VanDerWaalsContact OG1-CB 3.3Å; T139-P175 WeakPolarHBondContact OG1-CB 3.22Å
140	Y	97.5	Very high	95.5	Very high	22 Å²	22	39 Å²	39	9%	0.086	18%	0.178	C	C	.	.			trans	-61.7	117.6	179.1	-176.1	-144.9	0	0	0	111.5	R52 L136 K142 N167 I169 I173 P175	R52-Y140 VanDerWaalsContact CZ-O 3.25Å; R52-Y140 PolarHBondContact NH1-O 2.83Å; R52-Y140 PolarHBondContact NH2-O 2.04Å; L136-Y140 WeakPolarHBondContact O-CB 3.09Å; L136-Y140 PolarHBondContact O-N 3.27Å; L136-Y140 VanDerWaalsContact O-N 3.17Å; Y140-K142 HydrophobicContact CD1-CB 4.11Å; Y140-K142 HydrophobicContact CE1-CB 3.8Å; Y140-K142 HydrophobicContact CE1-CD 4.29Å; Y140-K142 HydrophobicContact CE2-CB 4.45Å; Y140-K142 PolarHBondContact O-N 2.95Å; Y140-N167 HydrophobicContact CD1-CB 4.29Å; Y140-N167 HydrophobicContact CE1-CB 4.02Å; Y140-I169 HydrophobicContact CD1-CB 3.97Å; Y140-I169 HydrophobicContact CD1-CG1 4.4Å; Y140-I169 HydrophobicContact CD2-CB 4.2Å; Y140-I169 HydrophobicContact CD2-CD1 3.7Å; Y140-I169 HydrophobicContact CD2-CG1 3.75Å; Y140-I169 HydrophobicContact CE1-CB 4.34Å; Y140-I169 HydrophobicContact CE2-CD1 4.31Å; Y140-I169 HydrophobicContact CE2-CG1 4Å; Y140-I169 HydrophobicContact CG-CB 3.89Å; Y140-I169 HydrophobicContact CG-CD1 4.07Å; Y140-I169 HydrophobicContact CG-CG1 3.99Å; Y140-I173 HydrophobicContact CE2-CG2 4.42Å; Y140-P175 CarbonylContact C-O 3.2Å; Y140-P175 WeakPolarHBondContact CA-O 3.45Å
141	Y	95.9	Very high	96.1	Very high	79 Å²	79	38.5 Å²	38.5	31%	0.31	17%	0.172	S	C	.	.			trans	-59.5	-21.8	-166.4	76.8	-82.7	0	0	0	114.4	N61 G63 T139 R143 P175	N61-Y141 HydrophobicContact CB-CD2 4.3Å; N61-Y141 WeakPolarHBondContact OD1-CB 3.42Å; G63-Y141 VanDerWaalsContact CA-O 3.25Å; G63-Y141 WeakPolarHBondContact CA-O 3.37Å; G63-Y141 PolarHBondContact N-O 3.1Å; T139-Y141 PolarHBondContact O-N 3.47Å; T139-Y141 VanDerWaalsContact O-N 3.15Å; Y141-R143 PolarHBondContact O-N 3Å; Y141-P175 WeakPolarHBondContact CB-O 3.31Å; Y141-P175 WeakPolarHBondContact CD1-O 3.47Å; Y141-P175 PolarHBondContact N-O 3.39Å
142	K	95	Very high	96.3	Very high	92 Å²	92	31.7 Å²	31.7	40%	0.4	15%	0.152	S	C	.	.			trans	-63.2	131.4	-174.2	-164.4	173.7	174.4	-160.3	0	110.8	Y140 N167	Y140-K142 HydrophobicContact CD1-CB 4.11Å; Y140-K142 HydrophobicContact CE1-CB 3.8Å; Y140-K142 HydrophobicContact CE1-CD 4.29Å; Y140-K142 HydrophobicContact CE2-CB 4.45Å; Y140-K142 PolarHBondContact O-N 2.95Å; K142-N167 HydrophobicContact CD-CB 4.09Å; K142-N167 WeakPolarHBondContact CD-OD1 3.44Å; K142-N167 WeakPolarHBondContact CE-OD1 3.23Å; K142-N167 PolarHBondContact NZ-OD1 3.03Å
143	R	93.2	Very high	96.1	Very high	58 Å²	58	39.1 Å²	39.1	22%	0.219	18%	0.184	C	C	.	.			trans	-63.2	146.4	172.3	-58.5	80.8	-156.2	-135.1	10.9	108.3	N61 Y141 N167 E189	N61-R143 PolarHBondContact O-NH2 3.02Å; Y141-R143 PolarHBondContact O-N 3Å; R143-N167 PolarHBondContact O-ND2 3Å; R143-E189 WeakPolarHBondContact CD-OE1 3.26Å; R143-E189 VanDerWaalsContact CZ-CD 3.43Å; R143-E189 IonicContact CZ-OE1 3.22Å; R143-E189 IonicContact CZ-OE2 3.9Å; R143-E189 IonicContact NE-OE1 3.6Å; R143-E189 PolarHBondContact NE-OE1 2.76Å; R143-E189 IonicContact NE-OE2 2.67Å; R143-E189 IonicContact NH1-OE1 3.82Å; R143-E189 PolarHBondContact NH1-OE1 2.93Å; R143-E189 IonicContact NH1-OE2 3.02Å; R143-E189 PolarHBondContact NH1-OE2 3.17Å; R143-E189 IonicContact NH2-OE1 3.9Å; R143-E189 IonicContact NH2-OE2 3.18Å; R143-E189 PolarHBondContact NH2-OE2 3.05Å
144	G	95.4	Very high	95.9	Very high	12 Å²	12	34.9 Å²	34.9	12%	0.124	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-166.3	178.5	0	0	0	0	0	112.2	L65 A66 E166	L65-G144 CarbonylContact C-O 3.56Å; L65-G144 VanDerWaalsContact CA-O 3.31Å; L65-G144 WeakPolarHBondContact CA-O 3.44Å; A66-G144 PolarHBondContact N-O 3.22Å; G144-E166 WeakPolarHBondContact CA-OE2 3.45Å
145	K	97.7	Very high	94.9	Very high	89 Å²	89	33.9 Å²	33.9	39%	0.387	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156	-175.4	-61.5	164.2	-159.1	163.7	0	112	A66 K68 L71 E166	A66-K145 HydrophobicContact CB-CG 4.35Å; A66-K145 CarbonylContact O-C 3.59Å; A66-K145 WeakPolarHBondContact O-CA 3.46Å; K68-K145 HydrophobicContact CB-CB 3.71Å; K68-K145 HydrophobicContact CB-CD 4.06Å; K68-K145 HydrophobicContact CB-CG 4.26Å; K68-K145 HydrophobicContact CD-CB 3.94Å; K68-K145 HydrophobicContact CD-CD 3.52Å; K68-K145 HydrophobicContact CD-CG 4.33Å; K68-K145 HydrophobicContact CG-CD 4.34Å; L71-K145 HydrophobicContact CD1-CB 3.8Å; L71-K145 WeakPolarHBondContact CD1-O 3.5Å; K145-E166 HydrophobicContact CB-CB 4.26Å; K145-E166 WeakPolarHBondContact CG-OE2 3.38Å; K145-E166 PolarHBondContact N-OE2 3.34Å; K145-E166 IonicContact NZ-OE1 3.17Å; K145-E166 WeakPolarHBondContact O-CB 3.47Å; K145-E166 PolarHBondContact O-N 2.96Å
146	I	98.4	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.4	176	-169.1	178.6	0	0	0	109.5	F44 V45 M48 L65 A66 K68 C163 A164 F165	F44-I146 HydrophobicContact CD1-CD1 4.13Å; F44-I146 HydrophobicContact CE1-CD1 3.77Å; V45-I146 HydrophobicContact CG2-CG2 3.35Å; M48-I146 HydrophobicContact CG-CD1 4.48Å; L65-I146 HydrophobicContact CB-CG2 4.47Å; A66-I146 PolarHBondContact O-N 2.91Å; K68-I146 PolarHBondContact N-O 2.88Å; I146-C163 HydrophobicContact CD1-CB 3.97Å; I146-C163 HydrophobicContact CG1-CB 4.14Å; I146-A164 VanDerWaalsContact CA-O 3.3Å; I146-A164 WeakPolarHBondContact CA-O 3.38Å; I146-F165 HydrophobicContact CD1-CD1 4.13Å; I146-F165 HydrophobicContact CD1-CD2 4.4Å; I146-F165 HydrophobicContact CD1-CE1 3.63Å; I146-F165 HydrophobicContact CD1-CE2 3.91Å; I146-F165 HydrophobicContact CD1-CG 4.5Å; I146-F165 HydrophobicContact CD1-CZ 3.5Å; I146-F165 VanDerWaalsContact CD1-CZ 3.5Å; I146-F165 HydrophobicContact CG1-CD1 4.36Å; I146-F165 HydrophobicContact CG1-CD2 4.48Å; I146-F165 HydrophobicContact CG1-CE1 4.35Å; I146-F165 HydrophobicContact CG1-CE2 4.44Å; I146-F165 HydrophobicContact CG1-CG 4.43Å; I146-F165 HydrophobicContact CG1-CZ 4.39Å
147	G	98.6	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.3	168.2	0	0	0	0	0	109.3	C163 A164	G147-C163 CarbonylContact O-C 3.49Å; G147-C163 WeakPolarHBondContact O-CA 3.17Å; G147-A164 PolarHBondContact N-O 3.41Å; G147-A164 PolarHBondContact O-N 3.41Å
148	C	98.5	Very high	92.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.2	-172.8	-50	0	0	0	0	112.1	L36 W67 F161 V162 C163	L36-C148 HydrophobicContact CD1-CB 3.92Å; L36-C148 HydrophobicContact CG-CB 4.24Å; L36-C148 PolarHBondContact N-O 2.87Å; W67-C148 HydrophobicContact CH2-CB 4.38Å; W67-C148 VanDerWaalsContact CH2-N 3.27Å; W67-C148 HydrophobicContact CZ3-CB 4.38Å; C148-F161 HydrophobicContact CB-CE1 4.38Å; C148-F161 HydrophobicContact CB-CE2 3.97Å; C148-F161 HydrophobicContact CB-CZ 3.64Å; C148-V162 CarbonylContact C-O 3.59Å; C148-V162 WeakPolarHBondContact CA-O 3.29Å; C148-V162 WeakPolarHBondContact CB-O 3.3Å; C148-C163 HydrophobicContact CB-CB 4.06Å; C148-C163 WeakPolarHBondContact CB-SG 3.24Å; C148-C163 WeakPolarHBondContact SG-CB 3.49Å; C148-C163 CovalentContact SG-SG 2.04Å; C148-C163 PolarHBondContact SG-SG 3.46Å
149	A	97.6	Very high	92.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	165.4	179.6	0	0	0	0	0	110.9	S34 A75 K76 A79 F161 V162	S34-A149 CarbonylContact O-C 3.47Å; S34-A149 WeakPolarHBondContact O-CA 3.3Å; S34-A149 WeakPolarHBondContact O-CB 3.3Å; A75-A149 HydrophobicContact CB-CB 3.97Å; K76-A149 HydrophobicContact CB-CB 3.93Å; K76-A149 VanDerWaalsContact N-CB 3.3Å; A79-A149 HydrophobicContact CB-CB 4.29Å; A149-F161 WeakPolarHBondContact O-CA 3.41Å; A149-F161 WeakPolarHBondContact O-CD2 3.17Å; A149-V162 PolarHBondContact N-O 2.95Å; A149-V162 PolarHBondContact O-N 3.48Å
150	Y	96.5	Very high	92.2	Very high	29 Å²	29	48.7 Å²	48.7	11%	0.114	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.3	173.2	64.7	-86.8	0	0	0	112	V33 S34 L36 F102 T152 Y159 F160	V33-Y150 CarbonylContact C-O 3.59Å; V33-Y150 VanDerWaalsContact CA-O 3.28Å; V33-Y150 WeakPolarHBondContact CA-O 3.23Å; V33-Y150 WeakPolarHBondContact CG1-O 3.16Å; S34-Y150 PolarHBondContact N-O 3.38Å; S34-Y150 PolarHBondContact O-N 3.37Å; L36-Y150 HydrophobicContact CD2-CD1 4.06Å; L36-Y150 HydrophobicContact CD2-CE1 4.27Å; F102-Y150 HydrophobicContact CD2-CD1 4.45Å; F102-Y150 HydrophobicContact CD2-CE1 4.22Å; F102-Y150 AromaticContact CE2-CD1 3.74Å; F102-Y150 HydrophobicContact CE2-CD1 3.74Å; F102-Y150 AromaticContact CE2-CE1 3.52Å; F102-Y150 HydrophobicContact CE2-CE1 3.52Å; F102-Y150 HydrophobicContact CE2-CG 4.47Å; F102-Y150 HydrophobicContact CZ-CE1 4.27Å; Y150-T152 HydrophobicContact CD2-CG2 3.93Å; Y150-T152 HydrophobicContact CE2-CG2 4.07Å; Y150-Y159 AromaticContact CD2-CD1 3.7Å; Y150-Y159 HydrophobicContact CD2-CD1 3.7Å; Y150-Y159 AromaticContact CD2-CE1 3.73Å; Y150-Y159 HydrophobicContact CD2-CE1 3.73Å; Y150-Y159 HydrophobicContact CE2-CD1 4.36Å; Y150-Y159 AromaticContact CE2-CE1 3.91Å; Y150-Y159 HydrophobicContact CE2-CE1 3.91Å; Y150-Y159 HydrophobicContact CG-CD1 4.13Å; Y150-Y159 HydrophobicContact CG-CE1 4.4Å; Y150-F160 CarbonylContact C-O 3.57Å; Y150-F160 VanDerWaalsContact CA-O 3.24Å; Y150-F160 WeakPolarHBondContact CA-O 3.39Å
151	N	95.3	Very high	92.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.2	171	-176.8	-8.5	0	0	0	110.3	P32 V33 A79 K153 C154 F160	P32-N151 CarbonylContact O-C 3.53Å; P32-N151 VanDerWaalsContact O-CA 3.25Å; P32-N151 WeakPolarHBondContact O-CA 3.44Å; P32-N151 PolarHBondContact O-OD1 3.35Å; V33-N151 HydrophobicContact CB-CB 4.39Å; V33-N151 HydrophobicContact CG1-CB 3.96Å; V33-N151 HydrophobicContact CG2-CB 4.02Å; V33-N151 VanDerWaalsContact CG2-CG 3.48Å; A79-N151 HydrophobicContact CB-CB 3.99Å; A79-N151 VanDerWaalsContact O-CB 3.27Å; A79-N151 WeakPolarHBondContact O-CB 3.42Å; A79-N151 PolarHBondContact O-ND2 2.99Å; N151-K153 WeakPolarHBondContact OD1-CA 3.18Å; N151-K153 WeakPolarHBondContact OD1-CB 3.23Å; N151-K153 PolarHBondContact OD1-N 3.26Å; N151-C154 PolarHBondContact ND2-SG 3.1Å; N151-F160 PolarHBondContact N-O 3.15Å; N151-F160 PolarHBondContact O-N 3.24Å
152	T	94.1	Very high	92.1	Very high	56 Å²	56	43.9 Å²	43.9	34%	0.344	21%	0.213	S	C	.	.	S	Bend	trans	-99.2	2.3	179	62.2	0	0	0	0	114.3	P32 Y150 D158 Y159	P32-T152 PolarHBondContact O-N 2.81Å; P32-T152 PolarHBondContact O-OG1 2.95Å; Y150-T152 HydrophobicContact CD2-CG2 3.93Å; Y150-T152 HydrophobicContact CE2-CG2 4.07Å; T152-D158 VanDerWaalsContact CA-O 3.27Å; T152-D158 WeakPolarHBondContact CA-O 3.42Å; T152-D158 WeakPolarHBondContact CB-O 3.46Å; T152-Y159 HydrophobicContact CG2-CD1 3.89Å; T152-Y159 HydrophobicContact CG2-CE1 3.68Å
153	K	89.8	Confident	92.3	Very high	157 Å²	157	39.5 Å²	39.5	68%	0.683	19%	0.194	S	C	*	.			trans	-104.3	5.5	177.4	-79.5	-176	-177.1	173.6	0	114.6	P32 N151 G155	P32-K153 HydrophobicContact CB-CB 4.23Å; P32-K153 HydrophobicContact CB-CD 3.46Å; P32-K153 VanDerWaalsContact CB-CD 3.46Å; P32-K153 HydrophobicContact CB-CG 3.56Å; P32-K153 HydrophobicContact CG-CD 3.67Å; P32-K153 HydrophobicContact CG-CG 4.33Å; N151-K153 WeakPolarHBondContact OD1-CA 3.18Å; N151-K153 WeakPolarHBondContact OD1-CB 3.23Å; N151-K153 PolarHBondContact OD1-N 3.26Å; K153-G155 PolarHBondContact O-N 2.89Å
154	C	88.9	Confident	92.5	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.128	18%	0.184	C	C	.	.	S	Bend	trans	-72.5	14	177.7	-65.2	0	0	0	0	115.1	C82 F83 N151 F160	C82-C154 VanDerWaalsContact CA-SG 3.5Å; C82-C154 HydrophobicContact CB-CB 3.84Å; C82-C154 WeakPolarHBondContact CB-SG 3.48Å; C82-C154 WeakPolarHBondContact SG-CA 3.38Å; C82-C154 WeakPolarHBondContact SG-CB 3.43Å; C82-C154 CovalentContact SG-SG 2.04Å; C82-C154 PolarHBondContact SG-SG 3.43Å; F83-C154 HydrophobicContact CE2-CB 4.3Å; N151-C154 PolarHBondContact ND2-SG 3.1Å; C154-F160 HydrophobicContact CB-CB 3.86Å; C154-F160 HydrophobicContact CB-CG 4.38Å
155	G	75.2	Confident	92.6	Very high	54 Å²	54	36.4 Å²	36.4	56%	0.557	18%	0.179	S	C	*	.	S	Bend	trans	94.6	-140.4	-177.7	0	0	0	0	0	111.3	K153	K153-G155 PolarHBondContact O-N 2.89Å
156	R	73.9	Confident	92.6	Very high	218 Å²	218	34.7 Å²	34.7	82%	0.823	17%	0.172	S	C	*	.	S	Bend	trans	-92.3	138.6	157.9	-75.4	-173.8	179.1	126.1	1.4	107.9
157	P	78.8	Confident	92.5	Very high	28 Å²	28	36.2 Å²	36.2	18%	0.182	18%	0.18	C	C	.	.	S	Bend	cis	-87.2	167.3	8.2	33.7	-31.7	0	0	0	113.7	T97 Q99 Y159	T97-P157 VanDerWaalsContact CB-CG 3.44Å; T97-P157 HydrophobicContact CG2-CG 3.76Å; Q99-P157 HydrophobicContact CG-CB 3.63Å; P157-Y159 VanDerWaalsContact C-N 3.27Å; P157-Y159 PolarHBondContact O-N 3.05Å
158	D	85.5	Confident	92.4	Very high	57 Å²	57	39.9 Å²	39.9	31%	0.305	20%	0.196	S	C	.	.	S	Bend	trans	-63.4	-28.4	-164.5	-43.4	-21.2	0	0	0	113.6	W98 Q99 G100 T152	W98-D158 PolarHBondContact O-N 3.07Å; Q99-D158 WeakPolarHBondContact CA-OD2 3.47Å; Q99-D158 VanDerWaalsContact CB-OD2 3.26Å; Q99-D158 WeakPolarHBondContact CB-OD2 3.04Å; Q99-D158 PolarHBondContact NE2-OD1 2.99Å; G100-D158 PolarHBondContact N-OD2 3.01Å; T152-D158 VanDerWaalsContact CA-O 3.27Å; T152-D158 WeakPolarHBondContact CA-O 3.42Å; T152-D158 WeakPolarHBondContact CB-O 3.46Å
159	Y	94.2	Very high	92.3	Very high	45 Å²	45	41.1 Å²	41.1	18%	0.176	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.3	171.6	-71.2	-93.5	0	0	0	110.8	T97 W98 G100 F102 Y150 T152 P157	T97-Y159 VanDerWaalsContact CA-O 3.29Å; T97-Y159 WeakPolarHBondContact CA-O 3.35Å; W98-Y159 AromaticContact CD1-CD2 4Å; W98-Y159 AromaticContact CE2-CD2 4Å; W98-Y159 AromaticContact CE2-CG 3.72Å; W98-Y159 HydrophobicContact CZ2-CD1 4.08Å; W98-Y159 HydrophobicContact CZ2-CD2 4.45Å; W98-Y159 AromaticContact CZ2-CG 3.82Å; W98-Y159 HydrophobicContact CZ2-CG 3.82Å; W98-Y159 PolarHBondContact N-O 2.83Å; W98-Y159 AromaticContact NE1-CD2 3.42Å; W98-Y159 AromaticContact NE1-CG 3.65Å; W98-Y159 PolarHBondContact O-N 3.27Å; G100-Y159 VanDerWaalsContact O-CE2 3.25Å; G100-Y159 WeakPolarHBondContact O-CE2 3.02Å; F102-Y159 HydrophobicContact CB-CE1 4.25Å; F102-Y159 HydrophobicContact CD2-CD1 4.41Å; F102-Y159 AromaticContact CD2-CE1 3.81Å; F102-Y159 HydrophobicContact CD2-CE1 3.81Å; Y150-Y159 AromaticContact CD2-CD1 3.7Å; Y150-Y159 HydrophobicContact CD2-CD1 3.7Å; Y150-Y159 AromaticContact CD2-CE1 3.73Å; Y150-Y159 HydrophobicContact CD2-CE1 3.73Å; Y150-Y159 HydrophobicContact CE2-CD1 4.36Å; Y150-Y159 AromaticContact CE2-CE1 3.91Å; Y150-Y159 HydrophobicContact CE2-CE1 3.91Å; Y150-Y159 HydrophobicContact CG-CD1 4.13Å; Y150-Y159 HydrophobicContact CG-CE1 4.4Å; T152-Y159 HydrophobicContact CG2-CD1 3.89Å; T152-Y159 HydrophobicContact CG2-CE1 3.68Å; P157-Y159 VanDerWaalsContact C-N 3.27Å; P157-Y159 PolarHBondContact O-N 3.05Å
160	F	95.3	Very high	92	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.3	161.4	177.2	-110	0	0	0	108.9	C82 F83 K95 T97 Y150 N151 C154 V162	C82-F160 VanDerWaalsContact C-CE1 3.46Å; C82-F160 VanDerWaalsContact O-CE1 3.23Å; C82-F160 WeakPolarHBondContact O-CE1 3.34Å; C82-F160 VanDerWaalsContact O-CZ 3.3Å; C82-F160 WeakPolarHBondContact O-CZ 3.16Å; F83-F160 HydrophobicContact CD1-CD2 4.1Å; F83-F160 AromaticContact CD1-CE2 3.61Å; F83-F160 HydrophobicContact CD1-CE2 3.61Å; F83-F160 HydrophobicContact CD1-CZ 4.33Å; F83-F160 AromaticContact CE1-CD2 3.64Å; F83-F160 HydrophobicContact CE1-CD2 3.64Å; F83-F160 AromaticContact CE1-CE2 3.61Å; F83-F160 HydrophobicContact CE1-CE2 3.61Å; F83-F160 HydrophobicContact CG-CE2 4.34Å; F83-F160 AromaticContact CZ-CD2 3.97Å; F83-F160 HydrophobicContact CZ-CD2 3.97Å; F83-F160 HydrophobicContact CZ-CE2 4.33Å; K95-F160 HydrophobicContact CB-CE2 4.32Å; K95-F160 HydrophobicContact CD-CE2 4.16Å; K95-F160 HydrophobicContact CD-CZ 3.86Å; K95-F160 HydrophobicContact CG-CE2 4.39Å; K95-F160 HydrophobicContact CG-CZ 4.18Å; T97-F160 HydrophobicContact CG2-CD2 3.8Å; Y150-F160 CarbonylContact C-O 3.57Å; Y150-F160 VanDerWaalsContact CA-O 3.24Å; Y150-F160 WeakPolarHBondContact CA-O 3.39Å; N151-F160 PolarHBondContact N-O 3.15Å; N151-F160 PolarHBondContact O-N 3.24Å; C154-F160 HydrophobicContact CB-CB 3.86Å; C154-F160 HydrophobicContact CB-CG 4.38Å; F160-V162 HydrophobicContact CD1-CG2 4.02Å; F160-V162 HydrophobicContact CE1-CG2 3.45Å; F160-V162 VanDerWaalsContact CE1-CG2 3.45Å; F160-V162 HydrophobicContact CZ-CG2 3.84Å
161	F	96.2	Very high	91.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.2	-173.7	-176.6	-105.2	0	0	0	111	L36 F44 K95 S96 W98 Y105 V108 W112 C148 A149 C163	L36-F161 HydrophobicContact CD1-CE2 3.96Å; L36-F161 HydrophobicContact CD1-CZ 4.16Å; L36-F161 HydrophobicContact CD2-CE2 4.32Å; L36-F161 HydrophobicContact CG-CE2 4.23Å; F44-F161 HydrophobicContact CD2-CE1 4.4Å; F44-F161 AromaticContact CD2-CZ 4Å; F44-F161 HydrophobicContact CD2-CZ 4Å; F44-F161 AromaticContact CE2-CE1 3.58Å; F44-F161 HydrophobicContact CE2-CE1 3.58Å; F44-F161 AromaticContact CE2-CZ 3.63Å; F44-F161 HydrophobicContact CE2-CZ 3.63Å; F44-F161 AromaticContact CZ-CE1 3.72Å; F44-F161 HydrophobicContact CZ-CE1 3.72Å; F44-F161 HydrophobicContact CZ-CZ 4.04Å; K95-F161 CarbonylContact C-O 3.48Å; K95-F161 VanDerWaalsContact CA-O 3.31Å; K95-F161 WeakPolarHBondContact CA-O 3.42Å; S96-F161 PolarHBondContact N-O 3.46Å; S96-F161 PolarHBondContact O-N 2.94Å; W98-F161 HydrophobicContact CE3-CB 4.36Å; W98-F161 HydrophobicContact CH2-CB 3.58Å; W98-F161 HydrophobicContact CH2-CD1 4.46Å; W98-F161 AromaticContact CH2-CD2 3.77Å; W98-F161 HydrophobicContact CH2-CD2 3.77Å; W98-F161 AromaticContact CH2-CG 3.72Å; W98-F161 HydrophobicContact CH2-CG 3.72Å; W98-F161 HydrophobicContact CZ3-CB 3.31Å; W98-F161 HydrophobicContact CZ3-CD1 4.19Å; W98-F161 HydrophobicContact CZ3-CD2 4.25Å; W98-F161 AromaticContact CZ3-CG 3.7Å; W98-F161 HydrophobicContact CZ3-CG 3.7Å; Y105-F161 HydrophobicContact CD2-CE2 4.42Å; Y105-F161 HydrophobicContact CD2-CZ 4.37Å; V108-F161 HydrophobicContact CG1-CD1 4.29Å; V108-F161 HydrophobicContact CG1-CE1 4.31Å; V108-F161 HydrophobicContact CG2-CD1 4.46Å; W112-F161 HydrophobicContact CH2-CD1 4.16Å; W112-F161 HydrophobicContact CH2-CE1 4.04Å; W112-F161 HydrophobicContact CZ2-CD1 4.48Å; C148-F161 HydrophobicContact CB-CE1 4.38Å; C148-F161 HydrophobicContact CB-CE2 3.97Å; C148-F161 HydrophobicContact CB-CZ 3.64Å; A149-F161 WeakPolarHBondContact O-CA 3.41Å; A149-F161 WeakPolarHBondContact O-CD2 3.17Å; F161-C163 WeakPolarHBondContact CE1-SG 3.37Å
162	V	96.6	Very high	91.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.5	-179.6	-171.4	0	0	0	0	109.7	V78 A79 Y93 L94 K95 C148 A149 F160	V78-V162 HydrophobicContact CB-CG1 3.96Å; V78-V162 HydrophobicContact CB-CG2 4.36Å; V78-V162 HydrophobicContact CG1-CG1 4.12Å; V78-V162 HydrophobicContact CG1-CG2 4.41Å; V78-V162 HydrophobicContact CG2-CG1 4.24Å; A79-V162 HydrophobicContact CB-CG2 4.1Å; Y93-V162 HydrophobicContact CD1-CG1 3.83Å; L94-V162 WeakPolarHBondContact O-CA 3.25Å; K95-V162 HydrophobicContact CG-CG1 4.48Å; K95-V162 HydrophobicContact CG-CG2 4.36Å; C148-V162 CarbonylContact C-O 3.59Å; C148-V162 WeakPolarHBondContact CA-O 3.29Å; C148-V162 WeakPolarHBondContact CB-O 3.3Å; A149-V162 PolarHBondContact N-O 2.95Å; A149-V162 PolarHBondContact O-N 3.48Å; F160-V162 HydrophobicContact CD1-CG2 4.02Å; F160-V162 HydrophobicContact CE1-CG2 3.45Å; F160-V162 VanDerWaalsContact CE1-CG2 3.45Å; F160-V162 HydrophobicContact CZ-CG2 3.84Å
163	C	98.2	Very high	91.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.5	166.7	-70.1	0	0	0	0	111.1	F44 Y93 L94 W112 I146 G147 C148 F161 F165	F44-C163 WeakPolarHBondContact CE1-SG 3.44Å; F44-C163 VanDerWaalsContact CZ-SG 3.58Å; Y93-C163 WeakPolarHBondContact CA-O 3.35Å; L94-C163 PolarHBondContact N-O 3Å; L94-C163 PolarHBondContact O-N 3.19Å; W112-C163 HydrophobicContact CH2-CB 3.79Å; W112-C163 HydrophobicContact CZ3-CB 3.91Å; I146-C163 HydrophobicContact CD1-CB 3.97Å; I146-C163 HydrophobicContact CG1-CB 4.14Å; G147-C163 CarbonylContact O-C 3.49Å; G147-C163 WeakPolarHBondContact O-CA 3.17Å; C148-C163 HydrophobicContact CB-CB 4.06Å; C148-C163 WeakPolarHBondContact CB-SG 3.24Å; C148-C163 WeakPolarHBondContact SG-CB 3.49Å; C148-C163 CovalentContact SG-SG 2.04Å; C148-C163 PolarHBondContact SG-SG 3.46Å; F161-C163 WeakPolarHBondContact CE1-SG 3.37Å; C163-F165 HydrophobicContact CB-CD2 4.43Å; C163-F165 HydrophobicContact CB-CE2 3.89Å
164	A	97.6	Very high	91.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	169.6	0	0	0	0	0	110.1	L71 A75 G92 Y93 I146 G147	L71-A164 HydrophobicContact CB-CB 4.25Å; L71-A164 HydrophobicContact CD2-CB 4.32Å; L71-A164 WeakPolarHBondContact O-CB 3.06Å; A75-A164 HydrophobicContact CB-CB 4.17Å; G92-A164 CarbonylContact O-C 3.59Å; Y93-A164 HydrophobicContact CD1-CB 3.94Å; Y93-A164 HydrophobicContact CE1-CB 3.43Å; Y93-A164 VanDerWaalsContact CE1-CB 3.43Å; I146-A164 VanDerWaalsContact CA-O 3.3Å; I146-A164 WeakPolarHBondContact CA-O 3.38Å; G147-A164 PolarHBondContact N-O 3.41Å; G147-A164 PolarHBondContact O-N 3.41Å
165	F	98	Very high	91.9	Very high	6 Å²	6	53 Å²	53	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.7	174.1	-67.4	-106.2	0	0	0	109.4	M48 L65 Y91 G92 L94 W112 Q137 I146 C163 N167	M48-F165 HydrophobicContact CE-CE1 3.84Å; M48-F165 HydrophobicContact CE-CZ 3.85Å; L65-F165 HydrophobicContact CD1-CD1 4.32Å; L65-F165 HydrophobicContact CD1-CE1 3.93Å; Y91-F165 WeakPolarHBondContact CA-O 3.16Å; Y91-F165 WeakPolarHBondContact CB-O 3.25Å; G92-F165 PolarHBondContact N-O 2.91Å; G92-F165 PolarHBondContact O-N 3.38Å; L94-F165 HydrophobicContact CB-CE2 4.02Å; L94-F165 HydrophobicContact CD1-CE2 3.77Å; L94-F165 HydrophobicContact CD1-CZ 3.95Å; L94-F165 HydrophobicContact CG-CD2 4.39Å; L94-F165 HydrophobicContact CG-CE2 3.77Å; L94-F165 HydrophobicContact CG-CZ 4.45Å; W112-F165 HydrophobicContact CE3-CZ 4.49Å; W112-F165 HydrophobicContact CZ3-CE2 4.28Å; W112-F165 HydrophobicContact CZ3-CZ 4.31Å; Q137-F165 HydrophobicContact CG-CD2 4.34Å; I146-F165 HydrophobicContact CD1-CD1 4.13Å; I146-F165 HydrophobicContact CD1-CD2 4.4Å; I146-F165 HydrophobicContact CD1-CE1 3.63Å; I146-F165 HydrophobicContact CD1-CE2 3.91Å; I146-F165 HydrophobicContact CD1-CG 4.5Å; I146-F165 HydrophobicContact CD1-CZ 3.5Å; I146-F165 VanDerWaalsContact CD1-CZ 3.5Å; I146-F165 HydrophobicContact CG1-CD1 4.36Å; I146-F165 HydrophobicContact CG1-CD2 4.48Å; I146-F165 HydrophobicContact CG1-CE1 4.35Å; I146-F165 HydrophobicContact CG1-CE2 4.44Å; I146-F165 HydrophobicContact CG1-CG 4.43Å; I146-F165 HydrophobicContact CG1-CZ 4.39Å; C163-F165 HydrophobicContact CB-CD2 4.43Å; C163-F165 HydrophobicContact CB-CE2 3.89Å; F165-N167 PolarHBondContact O-N 3.17Å
166	E	97.8	Very high	92.9	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.248	26%	0.262	C	S	.	.	S	Bend	trans	-55.9	-26.5	179.8	-168.8	163.9	-119.7	0	0	113.1	K68 L71 G144 K145	K68-E166 IonicContact NZ-OE1 3.02Å; K68-E166 PolarHBondContact NZ-OE1 2.76Å; L71-E166 HydrophobicContact CD1-CB 3.98Å; G144-E166 WeakPolarHBondContact CA-OE2 3.45Å; K145-E166 HydrophobicContact CB-CB 4.26Å; K145-E166 WeakPolarHBondContact CG-OE2 3.38Å; K145-E166 PolarHBondContact N-OE2 3.34Å; K145-E166 IonicContact NZ-OE1 3.17Å; K145-E166 WeakPolarHBondContact O-CB 3.47Å; K145-E166 PolarHBondContact O-N 2.96Å
167	N	96.7	Very high	93.9	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	24%	0.243	C	C	.	.	S	Bend	trans	-121.1	113.9	177.2	-59.7	-76	0	0	0	111.1	Q137 Y140 K142 R143 F165	Q137-N167 PolarHBondContact NE2-O 2.87Å; Y140-N167 HydrophobicContact CD1-CB 4.29Å; Y140-N167 HydrophobicContact CE1-CB 4.02Å; K142-N167 HydrophobicContact CD-CB 4.09Å; K142-N167 WeakPolarHBondContact CD-OD1 3.44Å; K142-N167 WeakPolarHBondContact CE-OD1 3.23Å; K142-N167 PolarHBondContact NZ-OD1 3.03Å; R143-N167 PolarHBondContact O-ND2 3Å; F165-N167 PolarHBondContact O-N 3.17Å
168	K	96.2	Very high	94.7	Very high	78 Å²	78	46.7 Å²	46.7	34%	0.339	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-69.8	136.2	164.8	-165.5	168.6	-172.7	160.3	0	110.6	D87 S89 T90 Q137	D87-K168 PolarHBondContact O-NZ 3.32Å; S89-K168 WeakPolarHBondContact O-CD 3.5Å; S89-K168 PolarHBondContact O-NZ 3.41Å; T90-K168 WeakPolarHBondContact O-CB 3.44Å; Q137-K168 VanDerWaalsContact OE1-CA 3.3Å
169	I	95.1	Very high	95.1	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.128	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-72	128.6	170.8	-170.5	167	0	0	0	110	L136 Q137 Y140 P175	L136-I169 HydrophobicContact CB-CD1 4.17Å; L136-I169 HydrophobicContact CB-CG2 4.26Å; L136-I169 WeakPolarHBondContact O-CD1 3.41Å; Q137-I169 HydrophobicContact CB-CG2 4.15Å; Y140-I169 HydrophobicContact CD1-CB 3.97Å; Y140-I169 HydrophobicContact CD1-CG1 4.4Å; Y140-I169 HydrophobicContact CD2-CB 4.2Å; Y140-I169 HydrophobicContact CD2-CD1 3.7Å; Y140-I169 HydrophobicContact CD2-CG1 3.75Å; Y140-I169 HydrophobicContact CE1-CB 4.34Å; Y140-I169 HydrophobicContact CE2-CD1 4.31Å; Y140-I169 HydrophobicContact CE2-CG1 4Å; Y140-I169 HydrophobicContact CG-CB 3.89Å; Y140-I169 HydrophobicContact CG-CD1 4.07Å; Y140-I169 HydrophobicContact CG-CG1 3.99Å; I169-P175 HydrophobicContact CD1-CB 4.25Å
170	P	93.3	Very high	95	Very high	67 Å²	67	47.6 Å²	47.6	44%	0.435	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-73.1	148.7	175.7	-13.5	28.6	0	0	0	111.7	G172 I173	P170-G172 PolarHBondContact O-N 2.98Å; P170-I173 HydrophobicContact CB-CG1 3.79Å; P170-I173 HydrophobicContact CG-CG1 4.09Å; P170-I173 WeakPolarHBondContact O-CB 3.26Å; P170-I173 PolarHBondContact O-N 3.3Å
171	K	89.7	Confident	94.8	Very high	217 Å²	217	50.7 Å²	50.7	94%	0.943	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	135.5	178.3	-67.8	-173.5	175.4	-174.2	0	111.4	I173	K171-I173 VanDerWaalsContact C-N 3.27Å; K171-I173 PolarHBondContact O-N 2.04Å
172	G	89	Confident	94.4	Very high	88 Å²	88	51.6 Å²	51.6	91%	0.907	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	2.3	177.5	0	0	0	0	0	115.6	P170	P170-G172 PolarHBondContact O-N 2.98Å
173	I	93	Very high	94.2	Very high	81 Å²	81	54.9 Å²	54.9	42%	0.415	31%	0.314	S	S	.	.			trans	-89	136.6	175	-58.4	-58.5	0	0	0	109.8	Y140 P170 K171	Y140-I173 HydrophobicContact CE2-CG2 4.42Å; P170-I173 HydrophobicContact CB-CG1 3.79Å; P170-I173 HydrophobicContact CG-CG1 4.09Å; P170-I173 WeakPolarHBondContact O-CB 3.26Å; P170-I173 PolarHBondContact O-N 3.3Å; K171-I173 VanDerWaalsContact C-N 3.27Å; K171-I173 PolarHBondContact O-N 2.04Å
174	V	94.3	Very high	93.8	Very high	63 Å²	63	57.3 Å²	57.3	38%	0.382	33%	0.331	S	S	.	.			trans	-69.3	142.8	173.6	-62.5	0	0	0	0	110.2	M124 Y176	M124-V174 HydrophobicContact CB-CB 4.35Å; M124-V174 HydrophobicContact CB-CG1 3.95Å; V174-Y176 PolarHBondContact O-N 2.79Å
175	P	96.4	Very high	93.4	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-68.8	-33.5	-174.3	26.5	-33.7	0	0	0	112.4	F119 M124 F135 L136 T139 Y140 Y141 I169	F119-P175 HydrophobicContact CE2-CG 4.44Å; F119-P175 HydrophobicContact CZ-CG 4.2Å; M124-P175 HydrophobicContact CE-CG 3.92Å; F135-P175 HydrophobicContact CE1-CG 4.14Å; L136-P175 HydrophobicContact CD2-CB 4.29Å; L136-P175 HydrophobicContact CD2-CG 3.93Å; T139-P175 VanDerWaalsContact OG1-CB 3.3Å; T139-P175 WeakPolarHBondContact OG1-CB 3.22Å; Y140-P175 CarbonylContact C-O 3.2Å; Y140-P175 WeakPolarHBondContact CA-O 3.45Å; Y141-P175 WeakPolarHBondContact CB-O 3.31Å; Y141-P175 WeakPolarHBondContact CD1-O 3.47Å; Y141-P175 PolarHBondContact N-O 3.39Å; I169-P175 HydrophobicContact CD1-CB 4.25Å
176	Y	96.1	Very high	92.9	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.012	36%	0.357	C	S	.	.	S	Bend	trans	-155.7	166	177.9	55.8	-91.7	0	0	0	112	V55 P56 A59 M62 M124 F135 V174 K178	V55-Y176 HydrophobicContact CB-CD1 4.4Å; V55-Y176 HydrophobicContact CB-CE1 3.71Å; V55-Y176 HydrophobicContact CB-CE2 4.24Å; V55-Y176 HydrophobicContact CG1-CE1 4.11Å; V55-Y176 HydrophobicContact CG2-CD1 4.07Å; V55-Y176 HydrophobicContact CG2-CD2 3.99Å; V55-Y176 HydrophobicContact CG2-CE1 3.76Å; V55-Y176 HydrophobicContact CG2-CE2 3.64Å; V55-Y176 HydrophobicContact CG2-CG 4.19Å; P56-Y176 PolarHBondContact O-OH 2.76Å; A59-Y176 HydrophobicContact CB-CD2 3.55Å; A59-Y176 HydrophobicContact CB-CE2 4.27Å; A59-Y176 HydrophobicContact CB-CG 3.88Å; M62-Y176 HydrophobicContact CE-CD1 3.87Å; M62-Y176 HydrophobicContact CE-CG 3.92Å; M124-Y176 HydrophobicContact CE-CD1 4.01Å; M124-Y176 HydrophobicContact CE-CD2 3.73Å; M124-Y176 HydrophobicContact CE-CE1 3.77Å; M124-Y176 HydrophobicContact CE-CE2 3.48Å; M124-Y176 VanDerWaalsContact CE-CE2 3.48Å; M124-Y176 HydrophobicContact CE-CG 3.98Å; M124-Y176 VanDerWaalsContact CE-CZ 3.48Å; M124-Y176 WeakPolarHBondContact CE-O 3.26Å; M124-Y176 HydrophobicContact SD-CE2 4.31Å; F135-Y176 HydrophobicContact CE1-CE1 4.47Å; F135-Y176 HydrophobicContact CZ-CE1 4.07Å; V174-Y176 PolarHBondContact O-N 2.79Å; Y176-K178 HydrophobicContact CD2-CG 4.43Å; Y176-K178 HydrophobicContact CE2-CG 3.86Å
177	E	95	Very high	92.1	Very high	94 Å²	94	68 Å²	68	44%	0.439	39%	0.391	S	S	.	.			trans	-88.7	115.4	173.3	-73.7	175.1	-116.8	0	0	110.9	A59 K60 N61	A59-E177 CarbonylContact C-O 3.57Å; A59-E177 WeakPolarHBondContact CA-O 3.42Å; K60-E177 HydrophobicContact CB-CB 4.39Å; K60-E177 HydrophobicContact CD-CB 4.44Å; K60-E177 PolarHBondContact N-O 3.03Å; N61-E177 VanDerWaalsContact ND2-CG 3.35Å; N61-E177 WeakPolarHBondContact ND2-CG 3.26Å; N61-E177 PolarHBondContact ND2-OE1 2.95Å; N61-E177 PolarHBondContact OD1-N 2.86Å; N61-E177 VanDerWaalsContact OD1-N 3.17Å
178	K	94.4	Very high	91.6	Very high	71 Å²	71	70.6 Å²	70.6	31%	0.309	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-62	141.4	179	-87.9	-173.4	155.4	-168.4	0	113.5	P56 G58 K60 T121 M124 Y176	P56-K178 WeakPolarHBondContact O-CE 3.49Å; G58-K178 WeakPolarHBondContact O-CA 3.42Å; K60-K178 WeakPolarHBondContact CE-O 3.39Å; T121-K178 VanDerWaalsContact O-CE 3.28Å; T121-K178 WeakPolarHBondContact O-CE 3.36Å; T121-K178 PolarHBondContact O-NZ 2.81Å; M124-K178 HydrophobicContact CE-CG 4.22Å; M124-K178 HydrophobicContact CG-CD 3.99Å; M124-K178 HydrophobicContact CG-CG 4.32Å; M124-K178 HydrophobicContact SD-CD 3.78Å; M124-K178 VanDerWaalsContact SD-CE 3.57Å; M124-K178 HydrophobicContact SD-CG 3.92Å; Y176-K178 HydrophobicContact CD2-CG 4.43Å; Y176-K178 HydrophobicContact CE2-CG 3.86Å
179	G	93.6	Very high	91	Very high	26 Å²	26	67.8 Å²	67.8	27%	0.268	39%	0.393	S	S	.	.	S	Bend	trans	136.6	-166	171.2	0	0	0	0	0	113.7	G57 G58 A59 Q181	G57-G179 PolarHBondContact O-N 2.8Å; G58-G179 CarbonylContact C-O 3.16Å; G58-G179 WeakPolarHBondContact CA-O 3.47Å; G58-G179 PolarHBondContact O-N 3.14Å; G58-G179 VanDerWaalsContact O-N 3.15Å; A59-G179 PolarHBondContact N-O 2.91Å; G179-Q181 PolarHBondContact O-N 3.37Å
180	S	92.4	Very high	90.5	Very high	95 Å²	95	72.4 Å²	72.4	66%	0.664	41%	0.413	S	S	*	.	S	Bend	trans	-51.1	123.9	-177.1	-49.7	0	0	0	0	112	K60 S183	K60-S180 WeakPolarHBondContact CA-O 3.27Å; S180-S183 WeakPolarHBondContact O-CB 3.49Å; S180-S183 PolarHBondContact O-N 2.86Å; S180-S183 PolarHBondContact O-OG 3.37Å
181	Q	91.3	Very high	90.2	Very high	67 Å²	67	72.3 Å²	72.3	31%	0.313	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	145	-175.2	-68	148.8	-44.8	0	0	111.6	A53 A59 G179 S183 E194	A53-Q181 PolarHBondContact O-NE2 3.22Å; A59-Q181 WeakPolarHBondContact O-CA 3.28Å; G179-Q181 PolarHBondContact O-N 3.37Å; Q181-S183 PolarHBondContact O-N 2.81Å; Q181-E194 HydrophobicContact CB-CB 3.88Å; Q181-E194 HydrophobicContact CB-CG 4.18Å; Q181-E194 VanDerWaalsContact CD-CD 3.5Å; Q181-E194 HydrophobicContact CG-CB 3.99Å; Q181-E194 HydrophobicContact CG-CG 4.38Å; Q181-E194 VanDerWaalsContact NE2-CD 3.26Å; Q181-E194 PolarHBondContact NE2-OE2 2.82Å; Q181-E194 VanDerWaalsContact OE1-CD 3.28Å
182	C	88.5	Confident	89.9	Confident	19 Å²	19	64.2 Å²	64.2	13%	0.128	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	1.5	-177.1	-58.2	0	0	0	0	117.6	K60 S184 C185 C191 K195	K60-C182 CarbonylContact O-C 3.5Å; K60-C182 VanDerWaalsContact O-CA 3.28Å; K60-C182 WeakPolarHBondContact O-CA 3.46Å; K60-C182 PolarHBondContact O-N 2.71Å; C182-S184 PolarHBondContact O-N 3.41Å; C182-C185 VanDerWaalsContact CA-SG 3.58Å; C182-C185 PolarHBondContact O-N 2.82Å; C182-C185 PolarHBondContact O-SG 3.35Å; C182-C185 VanDerWaalsContact O-SG 3.38Å; C182-C191 HydrophobicContact CB-CB 3.44Å; C182-C191 VanDerWaalsContact CB-CB 3.44Å; C182-C191 WeakPolarHBondContact CB-SG 3.34Å; C182-C191 VanDerWaalsContact SG-CA 3.51Å; C182-C191 WeakPolarHBondContact SG-CB 3.42Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 2.96Å; C182-K195 PolarHBondContact SG-N 3.11Å; C182-K195 VanDerWaalsContact SG-N 3.43Å
183	S	90.8	Very high	89.6	Confident	68 Å²	68	65 Å²	65	48%	0.476	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	1.5	-178.3	62.6	0	0	0	0	114.7	K60 S180 Q181	K60-S183 WeakPolarHBondContact CB-OG 3.24Å; K60-S183 VanDerWaalsContact CG-OG 3.28Å; K60-S183 WeakPolarHBondContact CG-OG 3.39Å; K60-S183 PolarHBondContact O-N 2.9Å; S180-S183 WeakPolarHBondContact O-CB 3.49Å; S180-S183 PolarHBondContact O-N 2.86Å; S180-S183 PolarHBondContact O-OG 3.37Å; Q181-S183 PolarHBondContact O-N 2.81Å
184	S	91.7	Very high	88.9	Confident	51 Å²	51	65 Å²	65	36%	0.357	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	40.9	175.2	-53.5	0	0	0	0	112.1	K60 C182	K60-S184 CarbonylContact O-C 3.51Å; K60-S184 WeakPolarHBondContact O-CA 3.45Å; K60-S184 PolarHBondContact O-N 3.17Å; C182-S184 PolarHBondContact O-N 3.41Å
185	C	89.1	Confident	88.6	Confident	37 Å²	37	62.2 Å²	62.2	25%	0.25	35%	0.35	C	S	.	.			trans	-69.5	155.9	164.5	-59.5	0	0	0	0	111.8	C182 E189 C196	C182-C185 VanDerWaalsContact CA-SG 3.58Å; C182-C185 PolarHBondContact O-N 2.82Å; C182-C185 PolarHBondContact O-SG 3.35Å; C182-C185 VanDerWaalsContact O-SG 3.38Å; C185-E189 HydrophobicContact CB-CB 4.25Å; C185-C196 WeakPolarHBondContact CA-SG 3.27Å; C185-C196 HydrophobicContact CB-CB 3.68Å; C185-C196 WeakPolarHBondContact CB-SG 3.48Å; C185-C196 WeakPolarHBondContact SG-CA 3.25Å; C185-C196 WeakPolarHBondContact SG-CB 3.28Å; C185-C196 CovalentContact SG-SG 2.04Å; C185-C196 PolarHBondContact SG-SG 2.87Å
186	A	86	Confident	88.2	Confident	38 Å²	38	62.2 Å²	62.2	31%	0.314	35%	0.35	S	S	.	.			trans	-74.3	162	173.1	0	0	0	0	0	111.2	D188 E189	A186-D188 WeakPolarHBondContact CB-OD1 3.25Å; A186-D188 PolarHBondContact O-N 3.17Å; A186-E189 HydrophobicContact CB-CG 4.14Å; A186-E189 WeakPolarHBondContact CB-OE2 3.26Å; A186-E189 PolarHBondContact N-OE2 3.48Å; A186-E189 WeakPolarHBondContact O-CB 3.21Å; A186-E189 PolarHBondContact O-N 3.2Å; A186-E189 VanDerWaalsContact O-N 3.1Å
187	Q	81.9	Confident	87.9	Confident	208 Å²	208	62.7 Å²	62.7	97%	0.972	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21.1	-173.5	-168.7	178.5	-42.4	0	0	113.7
188	D	85.1	Confident	87.3	Confident	86 Å²	86	62.8 Å²	62.8	46%	0.46	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.5	176.7	66.7	-61.6	0	0	0	113.8	A186 H198	A186-D188 WeakPolarHBondContact CB-OD1 3.25Å; A186-D188 PolarHBondContact O-N 3.17Å; D188-H198 IonicContact OD2-CE1 3.99Å; D188-H198 PolarHBondContact OD2-CE1 2.83Å; D188-H198 VanDerWaalsContact OD2-CE1 3.27Å; D188-H198 IonicContact OD2-ND1 2.95Å; D188-H198 PolarHBondContact OD2-ND1 2.9Å
189	E	84.6	Confident	85.7	Confident	19 Å²	19	65.7 Å²	65.7	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	154.6	-175.1	-65	177.5	141.7	0	0	112.7	R143 C185 A186 C196 C197 H198	R143-E189 WeakPolarHBondContact CD-OE1 3.26Å; R143-E189 VanDerWaalsContact CZ-CD 3.43Å; R143-E189 IonicContact CZ-OE1 3.22Å; R143-E189 IonicContact CZ-OE2 3.9Å; R143-E189 IonicContact NE-OE1 3.6Å; R143-E189 PolarHBondContact NE-OE1 2.76Å; R143-E189 IonicContact NE-OE2 2.67Å; R143-E189 IonicContact NH1-OE1 3.82Å; R143-E189 PolarHBondContact NH1-OE1 2.93Å; R143-E189 IonicContact NH1-OE2 3.02Å; R143-E189 PolarHBondContact NH1-OE2 3.17Å; R143-E189 IonicContact NH2-OE1 3.9Å; R143-E189 IonicContact NH2-OE2 3.18Å; R143-E189 PolarHBondContact NH2-OE2 3.05Å; C185-E189 HydrophobicContact CB-CB 4.25Å; A186-E189 HydrophobicContact CB-CG 4.14Å; A186-E189 WeakPolarHBondContact CB-OE2 3.26Å; A186-E189 PolarHBondContact N-OE2 3.48Å; A186-E189 WeakPolarHBondContact O-CB 3.21Å; A186-E189 PolarHBondContact O-N 3.2Å; A186-E189 VanDerWaalsContact O-N 3.1Å; E189-C196 HydrophobicContact CB-CB 4.43Å; E189-C196 WeakPolarHBondContact OE2-CB 3.35Å; E189-C197 WeakPolarHBondContact CA-O 3.36Å; E189-C197 WeakPolarHBondContact CB-O 3.36Å; E189-H198 IonicContact OE1-CE1 2.75Å; E189-H198 IonicContact OE1-ND1 3.27Å; E189-H198 IonicContact OE1-NE2 3.98Å
190	K	84.8	Confident	83.8	Confident	122 Å²	122	68 Å²	68	53%	0.53	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	144.3	172	-168.4	178.6	174.8	-175.2	0	109.7	T192 C197 L199	K190-T192 HydrophobicContact CD-CG2 4.48Å; K190-T192 PolarHBondContact O-N 3.28Å; K190-T192 PolarHBondContact O-OG1 2.97Å; K190-C197 PolarHBondContact N-O 2.91Å; K190-C197 PolarHBondContact O-N 3.11Å; K190-L199 HydrophobicContact CB-CD2 3.77Å; K190-L199 HydrophobicContact CB-CG 4.48Å; K190-L199 HydrophobicContact CD-CD2 4.19Å; K190-L199 HydrophobicContact CG-CD2 4.47Å
191	C	87.1	Confident	81.7	Confident	66 Å²	66	66.2 Å²	66.2	45%	0.446	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.7	160.8	-170.2	0	0	0	0	109.6	C182 K195	C182-C191 HydrophobicContact CB-CB 3.44Å; C182-C191 VanDerWaalsContact CB-CB 3.44Å; C182-C191 WeakPolarHBondContact CB-SG 3.34Å; C182-C191 VanDerWaalsContact SG-CA 3.51Å; C182-C191 WeakPolarHBondContact SG-CB 3.42Å; C182-C191 CovalentContact SG-SG 2.03Å; C182-C191 PolarHBondContact SG-SG 2.96Å; C191-K195 CarbonylContact C-O 3.52Å; C191-K195 VanDerWaalsContact CA-O 3.32Å; C191-K195 WeakPolarHBondContact CA-O 3.22Å
192	T	83	Confident	79.2	Confident	47 Å²	47	72 Å²	72	29%	0.288	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.7	176.6	12.8	0	0	0	0	107.8	K190 E194 K195 C197	K190-T192 HydrophobicContact CD-CG2 4.48Å; K190-T192 PolarHBondContact O-N 3.28Å; K190-T192 PolarHBondContact O-OG1 2.97Å; T192-E194 VanDerWaalsContact C-N 3.32Å; T192-E194 PolarHBondContact O-N 3.36Å; T192-K195 PolarHBondContact N-O 2.89Å; T192-K195 PolarHBondContact O-N 2.96Å; T192-C197 WeakPolarHBondContact OG1-CB 3.1Å; T192-C197 PolarHBondContact OG1-SG 3.08Å
193	T	82.5	Confident	77.4	Confident	105 Å²	105	74.4 Å²	74.4	64%	0.644	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	57.2	-177.5	-44.9	0	0	0	0	111	K195	T193-K195 PolarHBondContact O-N 3.01Å; T193-K195 PolarHBondContact O-NZ 2.95Å
194	E	78.7	Confident	75	Confident	81 Å²	81	78.6 Å²	78.6	38%	0.379	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	19.1	173.8	-64.2	164.6	-179.7	0	0	115.7	A53 Q181 T192	A53-E194 HydrophobicContact CB-CB 4.11Å; Q181-E194 HydrophobicContact CB-CB 3.88Å; Q181-E194 HydrophobicContact CB-CG 4.18Å; Q181-E194 VanDerWaalsContact CD-CD 3.5Å; Q181-E194 HydrophobicContact CG-CB 3.99Å; Q181-E194 HydrophobicContact CG-CG 4.38Å; Q181-E194 VanDerWaalsContact NE2-CD 3.26Å; Q181-E194 PolarHBondContact NE2-OE2 2.82Å; Q181-E194 VanDerWaalsContact OE1-CD 3.28Å; T192-E194 VanDerWaalsContact C-N 3.32Å; T192-E194 PolarHBondContact O-N 3.36Å
195	K	87.6	Confident	72.7	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.017	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158	173.6	-60.8	168.4	-71.6	-70.7	0	112.6	N49 A53 M62 C64 C182 C191 T192 T193	N49-K195 HydrophobicContact CB-CD 4.11Å; N49-K195 WeakPolarHBondContact O-CD 3.45Å; N49-K195 VanDerWaalsContact O-CE 3.27Å; N49-K195 WeakPolarHBondContact O-CE 3.42Å; N49-K195 PolarHBondContact O-NZ 3.17Å; A53-K195 HydrophobicContact CB-CD 4.45Å; A53-K195 HydrophobicContact CB-CG 4.08Å; M62-K195 HydrophobicContact CG-CG 4.17Å; M62-K195 CarbonylContact O-C 3.49Å; M62-K195 WeakPolarHBondContact O-CA 3.37Å; C64-K195 WeakPolarHBondContact SG-CB 3.47Å; C182-K195 PolarHBondContact SG-N 3.11Å; C182-K195 VanDerWaalsContact SG-N 3.43Å; C191-K195 CarbonylContact C-O 3.52Å; C191-K195 VanDerWaalsContact CA-O 3.32Å; C191-K195 WeakPolarHBondContact CA-O 3.22Å; T192-K195 PolarHBondContact N-O 2.89Å; T192-K195 PolarHBondContact O-N 2.96Å; T193-K195 PolarHBondContact O-N 3.01Å; T193-K195 PolarHBondContact O-NZ 2.95Å
196	C	87.8	Confident	70.3	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	107.4	171.5	-49.5	0	0	0	0	110.7	M62 C64 C185 E189	M62-C196 PolarHBondContact O-N 3.43Å; C64-C196 PolarHBondContact N-O 3.27Å; C64-C196 VanDerWaalsContact N-O 3.09Å; C64-C196 PolarHBondContact SG-O 2.76Å; C185-C196 WeakPolarHBondContact CA-SG 3.27Å; C185-C196 HydrophobicContact CB-CB 3.68Å; C185-C196 WeakPolarHBondContact CB-SG 3.48Å; C185-C196 WeakPolarHBondContact SG-CA 3.25Å; C185-C196 WeakPolarHBondContact SG-CB 3.28Å; C185-C196 CovalentContact SG-SG 2.04Å; C185-C196 PolarHBondContact SG-SG 2.87Å; E189-C196 HydrophobicContact CB-CB 4.43Å; E189-C196 WeakPolarHBondContact OE2-CB 3.35Å
197	C	89.3	Confident	68	Low	12 Å²	12	94.7 Å²	94.7	8%	0.081	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.1	171.9	-54.1	0	0	0	0	110.4	C64 E189 K190 T192	C64-C197 HydrophobicContact CB-CB 3.94Å; C64-C197 WeakPolarHBondContact CB-SG 3.3Å; C64-C197 WeakPolarHBondContact SG-CA 3.08Å; C64-C197 WeakPolarHBondContact SG-CB 3.46Å; C64-C197 PolarHBondContact SG-N 3.37Å; C64-C197 VanDerWaalsContact SG-N 3.41Å; C64-C197 CovalentContact SG-SG 2.03Å; C64-C197 PolarHBondContact SG-SG 3.19Å; E189-C197 WeakPolarHBondContact CA-O 3.36Å; E189-C197 WeakPolarHBondContact CB-O 3.36Å; K190-C197 PolarHBondContact N-O 2.91Å; K190-C197 PolarHBondContact O-N 3.11Å; T192-C197 WeakPolarHBondContact OG1-CB 3.1Å; T192-C197 PolarHBondContact OG1-SG 3.08Å
198	H	82.5	Confident	65.8	Low	96 Å²	96	94.6 Å²	94.6	44%	0.444	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	144	169.7	-61.1	-75.3	0	0	0	111.2	D188 E189 G200 G201	D188-H198 IonicContact OD2-CE1 3.99Å; D188-H198 PolarHBondContact OD2-CE1 2.83Å; D188-H198 VanDerWaalsContact OD2-CE1 3.27Å; D188-H198 IonicContact OD2-ND1 2.95Å; D188-H198 PolarHBondContact OD2-ND1 2.9Å; E189-H198 IonicContact OE1-CE1 2.75Å; E189-H198 IonicContact OE1-ND1 3.27Å; E189-H198 IonicContact OE1-NE2 3.98Å; H198-G200 PolarHBondContact O-N 2.04Å; H198-G201 PolarHBondContact O-N 2.96Å
199	L	62.1	Low	63.8	Low	133 Å²	133	96 Å²	96	70%	0.696	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-5.2	-173.1	-74.7	164.5	0	0	0	116.6	K190	K190-L199 HydrophobicContact CB-CD2 3.77Å; K190-L199 HydrophobicContact CB-CG 4.48Å; K190-L199 HydrophobicContact CD-CD2 4.19Å; K190-L199 HydrophobicContact CG-CD2 4.47Å
200	G	53.2	Low	61.7	Low	75 Å²	75	102.2 Å²	102.2	77%	0.773	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-6.9	174.8	0	0	0	0	0	115.2	H198 K202	H198-G200 PolarHBondContact O-N 2.04Å; G200-K202 PolarHBondContact O-N 3.17Å; G200-K202 VanDerWaalsContact O-N 3.1Å
201	G	48.2	Very low	60	Low	56 Å²	56	104 Å²	104	58%	0.577	55%	0.552	S	S	*	*			trans	-79.6	87.4	178.8	0	0	0	0	0	111.5	H198 E203	H198-G201 PolarHBondContact O-N 2.96Å; G201-E203 PolarHBondContact O-N 3.03Å
202	K	39.8	Very low	58	Low	190 Å²	190	108.8 Å²	108.8	83%	0.826	57%	0.574	S	S	*	*			trans	-67	99.3	160.3	-70.2	-176.7	179.8	180	0	107.9	G200 E204	G200-K202 PolarHBondContact O-N 3.17Å; G200-K202 VanDerWaalsContact O-N 3.1Å; K202-E204 PolarHBondContact O-N 2.9Å
203	E	49.4	Very low	56.2	Low	69 Å²	69	116.3 Å²	116.3	32%	0.322	60%	0.603	S	S	.	*			trans	-56.4	120.4	144.7	-69.7	-173.5	139.6	0	0	105.1	N49 G201 D205	N49-E203 PolarHBondContact ND2-OE1 2.93Å; G201-E203 PolarHBondContact O-N 3.03Å; E203-D205 PolarHBondContact O-N 3.12Å
204	E	40.6	Very low	54.2	Low	155 Å²	155	120.4 Å²	120.4	72%	0.724	61%	0.611	S	S	*	*			trans	-72.8	84.5	-176.9	-68.5	-170.5	162.1	0	0	109.2	K202 Q206	K202-E204 PolarHBondContact O-N 2.9Å; E204-Q206 PolarHBondContact O-N 3.16Å
205	D	42.8	Very low	52.4	Low	147 Å²	147	126 Å²	126	79%	0.786	63%	0.634	S	S	*	*			trans	-60.9	90.8	165.7	-83.7	-31.9	0	0	0	108.3	E203 K207	E203-D205 PolarHBondContact O-N 3.12Å; D205-K207 PolarHBondContact O-N 3.4Å
206	Q	39.1	Very low	50.3	Low	158 Å²	158	134 Å²	134	74%	0.738	68%	0.677	S	S	*	*			trans	-64.2	77.7	167.6	-75.7	177.6	-46.4	0	0	109.5	E204	E204-Q206 PolarHBondContact O-N 3.16Å
207	K	37.3	Very low	48.3	Very low	160 Å²	160	142.2 Å²	142.2	70%	0.696	72%	0.716	S	S	*	*			trans	-120.1	56.7	161.7	-158.3	171.4	-172.2	176.6	0	110.2	D205 N209	D205-K207 PolarHBondContact O-N 3.4Å; K207-N209 VanDerWaalsContact CE-OD1 3.26Å; K207-N209 WeakPolarHBondContact CE-OD1 3.19Å; K207-N209 VanDerWaalsContact CG-OD1 3.31Å; K207-N209 WeakPolarHBondContact CG-OD1 3.34Å; K207-N209 PolarHBondContact O-N 2.87Å
208	K	37.4	Very low	46.2	Very low	206 Å²	206	149.1 Å²	149.1	90%	0.896	75%	0.752	S	S	*	*			trans	-74.3	74.4	160.2	-165.1	179.2	-173.6	-176.5	0	107.6
209	N	43.2	Very low	44.4	Very low	115 Å²	115	154.7 Å²	154.7	62%	0.615	78%	0.775	S	S	*	*			trans	-56	138.3	166.7	-84.7	7.3	0	0	0	108.4	K207 D211	K207-N209 VanDerWaalsContact CE-OD1 3.26Å; K207-N209 WeakPolarHBondContact CE-OD1 3.19Å; K207-N209 VanDerWaalsContact CG-OD1 3.31Å; K207-N209 WeakPolarHBondContact CG-OD1 3.34Å; K207-N209 PolarHBondContact O-N 2.87Å; N209-D211 PolarHBondContact O-N 3.43Å
210	D	39.9	Very low	43.3	Very low	150 Å²	150	157.9 Å²	157.9	80%	0.802	78%	0.783	S	S	*	*	S	Bend	trans	-55.8	124.2	164.1	-48.6	-86.4	0	0	0	109.7
211	D	48	Very low	42.9	Very low	158 Å²	158	162.8 Å²	162.8	85%	0.845	78%	0.783	S	S	*	*			trans	169.3	78.3	152.7	-91.6	-28	0	0	0	110.3	N209	N209-D211 PolarHBondContact O-N 3.43Å
212	D	46.6	Very low	43	Very low	168 Å²	168	165.8 Å²	165.8	90%	0.898	79%	0.786	S	S	*	*			trans	-155.8	63.5	155.4	-111.5	-28.5	0	0	0	111.5
213	K	43.6	Very low	43.6	Very low	205 Å²	205	163.6 Å²	163.6	89%	0.891	78%	0.783	S	S	*	*			trans	-110.3	63.7	173.7	-171	-171.1	174.8	175.9	0	110.6
214	K	41.2	Very low	43.7	Very low	191 Å²	191	167.2 Å²	167.2	83%	0.83	81%	0.805	S	S	*	*			trans	-173.9	109.3	162.5	-117.7	171.6	177.3	177.4	0	114.2
215	K	40.4	Very low	44.4	Very low	198 Å²	198	165.3 Å²	165.3	86%	0.861	80%	0.8	S	S	*	*				158.6	78.5	129.6	-88.5	175	173.8	179.9	0	111.8
216	D	44.1	Very low	44.7	Very low	172 Å²	172	165 Å²	165	92%	0.92	79%	0.791	S	S	*	*			trans	-118.3	48.6	162	-79.2	-46.9	0	0	0	109.9
217	E	45.4	Very low	45.2	Very low	173 Å²	173	165.7 Å²	165.7	81%	0.808	79%	0.792	S	S	*	*			trans	-137.4	143.7	172.3	-67	-174.9	146.3	0	0	109.6
218	D	44.8	Very low	45.7	Very low	156 Å²	156	165.7 Å²	165.7	83%	0.834	79%	0.792	S	S	*	*			trans	68.3	87.6	170.9	-57.6	-29.6	0	0	0	120.3
219	K	45.8	Very low	46.5	Very low	214 Å²	214	160.3 Å²	160.3	93%	0.93	77%	0.773	S	S	*	*				-165	102.4	114	-109.9	172.2	-179.7	-179.9	0	114.1
220	K	39.3	Very low	47.2	Very low	200 Å²	200	161.5 Å²	161.5	87%	0.87	78%	0.779	S	S	*	*			trans	-105.2	159.8	155.2	-165.9	174.4	-175.8	176.6	0	107.2
221	K	44.5	Very low	47.8	Very low	178 Å²	178	160.8 Å²	160.8	77%	0.774	78%	0.775	S	S	*	*			trans	91.9	142	-171.2	-57.8	-168.5	165.3	-168.5	0	115.1
222	D	49.1	Very low	48	Very low	118 Å²	118	159.5 Å²	159.5	63%	0.631	77%	0.769	S	S	*	*			cis	-161.7	176.5	-17.6	-96.1	-27.7	0	0	0	106.7
223	D	53.2	Low	48	Very low	145 Å²	145	160.9 Å²	160.9	78%	0.775	77%	0.767	S	S	*	*			trans	88.9	132.7	152.4	-56.6	-36.1	0	0	0	123.2
224	D	51.8	Low	48.2	Very low	144 Å²	144	159.3 Å²	159.3	77%	0.77	76%	0.76	S	S	*	*			trans	102.6	77.4	144.1	-66.5	-18	0	0	0	124.9
225	D	54.7	Low	48.5	Very low	116 Å²	116	155.8 Å²	155.8	62%	0.62	75%	0.75	S	S	*	*				83.6	113.2	102.5	-151.3	25	0	0	0	121.5
226	K	50.3	Low	49.1	Very low	139 Å²	139	152.8 Å²	152.8	60%	0.604	74%	0.743	S	S	*	*				117.8	109.3	116.8	-141.6	167.1	-133	78.5	0	120.9
227	K	48.5	Very low	49.5	Very low	173 Å²	173	151.8 Å²	151.8	75%	0.752	74%	0.738	S	S	*	*			trans	65	161.1	147.4	-71.7	177.8	-175.7	-179.5	0	118
228	K	48.4	Very low	49.9	Very low	160 Å²	160	149.8 Å²	149.8	70%	0.696	73%	0.733	S	S	*	*			cis	-170.8	166.8	-24.2	-105.9	-179.5	153.9	-77.3	0	104.5
229	D	53.6	Low	50.2	Low	94 Å²	94	149.2 Å²	149.2	50%	0.503	72%	0.723	S	S	.	*			cis	-160.6	172.3	7.6	-121.3	-17.2	0	0	0	110.4
230	D	58.4	Low	50.2	Low	140 Å²	140	147.5 Å²	147.5	75%	0.749	72%	0.715	S	S	*	*			trans	52.5	153.1	147.5	-61.4	-18.4	0	0	0	122.6
231	N	51.3	Low	50.7	Low	134 Å²	134	144.8 Å²	144.8	72%	0.717	70%	0.704	S	S	*	*			cis	-166.4	143.1	-29.8	-168.7	18.5	0	0	0	110.4
232	D	52.5	Low	51.2	Low	132 Å²	132	141.2 Å²	141.2	71%	0.706	69%	0.693	S	S	*	*			trans	55.2	151.7	150.7	-111.9	-28.2	0	0	0	126.7
233	K	47.6	Very low	51.5	Low	197 Å²	197	141.8 Å²	141.8	86%	0.857	70%	0.696	S	S	*	*			trans	88.4	138.6	148.4	-127.2	168.1	-169.3	167.5	0	120.4
234	K	48.1	Very low	51.7	Low	171 Å²	171	141.9 Å²	141.9	74%	0.743	70%	0.696	S	S	*	*			cis	166.9	151.4	-35.6	-123.6	-173.7	170.7	179.5	0	106.8
235	N	47.7	Very low	51.9	Low	118 Å²	118	142.3 Å²	142.3	63%	0.631	70%	0.699	S	S	*	*			trans	71.8	150.3	157.4	-67.1	42.4	0	0	0	117.6
236	D	53	Low	51.9	Low	134 Å²	134	145.9 Å²	145.9	72%	0.717	71%	0.709	S	S	*	*			cis	-157.9	171.1	-11.3	-93.5	-20	0	0	0	109.9
237	D	51.5	Low	52.1	Low	152 Å²	152	149.2 Å²	149.2	81%	0.813	72%	0.723	S	S	*	*			trans	-64.7	152.2	178.9	-57.1	-77.9	0	0	0	116.1
238	D	54.2	Low	52.2	Low	131 Å²	131	149 Å²	149	70%	0.701	72%	0.722	S	S	*	*				-172.3	127.3	121.3	-121.8	-15.4	0	0	0	116.3
239	K	49.8	Very low	52.4	Low	144 Å²	144	148.8 Å²	148.8	63%	0.626	73%	0.729	S	S	*	*				70.5	115.8	123.2	-135	-178.9	-117.2	86.5	0	124
240	K	47.6	Very low	52.4	Low	177 Å²	177	152.6 Å²	152.6	77%	0.77	74%	0.744	S	S	*	*			trans	62.7	154.4	133.7	-75.6	-174.4	168	-177.2	0	119.2
241	K	48.9	Very low	52.1	Low	144 Å²	144	154 Å²	154	63%	0.626	75%	0.751	S	S	*	*			cis	-170.1	166.7	-5.7	-127.4	177.2	141.5	-76.8	0	107.8
242	D	54.4	Low	52.3	Low	102 Å²	102	157.6 Å²	157.6	55%	0.545	76%	0.76	S	S	.	*			trans	66.8	146.6	148.7	-57.8	-8.2	0	0	0	117.7
243	D	56.7	Low	52.2	Low	131 Å²	131	161.1 Å²	161.1	70%	0.701	77%	0.769	S	S	*	*			cis	-155.2	165.6	-7.1	-92.7	-25	0	0	0	110.4
244	D	57	Low	52.3	Low	146 Å²	146	160.7 Å²	160.7	78%	0.781	77%	0.768	S	S	*	*			trans	26.6	131.3	152.1	-66.9	-28.3	0	0	0	123.4
245	D	56.3	Low	52.9	Low	154 Å²	154	159.7 Å²	159.7	82%	0.824	77%	0.77	S	S	*	*				-164.1	106.7	108.8	-124.8	-25.2	0	0	0	116.5
246	K	54.1	Low	53.6	Low	191 Å²	191	161.8 Å²	161.8	83%	0.83	78%	0.781	S	S	*	*			trans	16.9	126.2	136.5	-142.4	164.7	-167.7	161.6	0	120.7
247	K	54.5	Low	54.2	Low	208 Å²	208	163.5 Å²	163.5	90%	0.904	79%	0.791	S	S	*	*			trans	-124	135.1	158.8	-145.7	171.7	-171.7	177.4	0	110.5
248	K	51.4	Low	55.1	Low	169 Å²	169	164.3 Å²	164.3	74%	0.735	80%	0.795	S	S	*	*			trans	-87.5	148	-173.6	-80.4	177.9	166.6	-174.3	0	113.3
249	D	51.7	Low	55.3	Low	156 Å²	156	167.3 Å²	167.3	83%	0.834	80%	0.802	S	S	*	*			trans	-78.6	140.9	155.2	-49	-67.6	0	0	0	110.9
250	E	54.2	Low	56	Low	173 Å²	173	170.5 Å²	170.5	81%	0.808	82%	0.816	S	S	*	*			trans	-141.1	92.4	158.8	-73.8	-163.3	174.3	0	0	110.6
251	D	52.1	Low	56.6	Low	169 Å²	169	170.9 Å²	170.9	90%	0.904	82%	0.817	S	S	*	*			trans	-75.7	124.1	160	-97.7	-42.2	0	0	0	109.7
252	K	54.4	Low	57.5	Low	210 Å²	210	175.5 Å²	175.5	91%	0.913	85%	0.849	S	S	*	*			trans	-151.7	113.5	159	-129.4	166.9	-170.1	168.6	0	113.3
253	K	50.6	Low	57.6	Low	206 Å²	206	179.2 Å²	179.2	90%	0.896	86%	0.864	S	S	*	*			trans	-103.4	128.8	179.3	-167.4	179.1	-170.5	176.6	0	108.8
254	K	50.2	Low	57.7	Low	189 Å²	189	181.7 Å²	181.7	82%	0.822	87%	0.873	S	S	*	*			trans	-162.4	172.3	165.9	-114.2	-179.8	-176.9	-163.7	0	110.3
255	D	60.6	Low	57.7	Low	149 Å²	149	183.7 Å²	183.7	80%	0.797	88%	0.878	S	S	*	*			trans	75.6	132	-169.4	-42.3	-23.8	0	0	0	110.4
256	D	61.9	Low	57.8	Low	162 Å²	162	185.5 Å²	185.5	87%	0.866	88%	0.881	S	S	*	*			cis	-121.6	150.4	19.3	-64	-63.7	0	0	0	114.9
257	D	66.2	Low	58	Low	171 Å²	171	185.1 Å²	185.1	91%	0.914	89%	0.885	S	S	*	*			trans	-88.7	120.8	164	-92.5	-45.1	0	0	0	109.9
258	D	69.5	Low	58.2	Low	169 Å²	169	183.6 Å²	183.6	90%	0.904	88%	0.883	S	S	*	*			trans	-96.6	137.8	175.3	-157.4	-3.2	0	0	0	111.9
259	K	60.1	Low	58.7	Low	194 Å²	194	184.6 Å²	184.6	84%	0.843	89%	0.894	S	S	*	*			trans	-113.9	105.3	-156.9	-174.6	-179.1	-170.8	170	0	111.2
260	K	63.9	Low	59.3	Low	210 Å²	210	186.8 Å²	186.8	91%	0.913	90%	0.898	S	S	*	*			trans	-118.4	127.6	171.6	-138.2	172.4	-173.4	177.7	0	112.5
261	K	60.6	Low	59.7	Low	185 Å²	185	188 Å²	188	80%	0.804	91%	0.906	S	S	*	*			trans	-73.4	146.6	172.8	-65.1	170.4	171.8	177.7	0	110.1
262	D	66.4	Low	60.4	Low	242 Å²	242	189.7 Å²	189.7	100%	1.294	91%	0.906	S	S	*	*				-142.8	0	112.1	-83.3	-39.7	0	0	0	108.4

Retrieved 262 of 262 residues in 65.6 ms (Link to these results)

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