A0A077ZBR4_TRITR Loading...

DUF667 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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	82.2	Confident	81.6	Confident	83 Å²	83	82.3 Å²	82.3	41%	0.409	41%	0.412	S	S	.	.				0	-53.4	0	-60.1	-171.3	87.6	0	0	112.5	L24 F61 P62 E67 V68	M1-L24 HydrophobicContact CE-CD1 4.16Å; M1-L24 HydrophobicContact CE-CD2 4.24Å; M1-F61 HydrophobicContact CE-CE2 4.38Å; M1-F61 HydrophobicContact SD-CE2 3.96Å; M1-F61 HydrophobicContact SD-CZ 4Å; M1-P62 HydrophobicContact CG-CB 4.49Å; M1-P62 HydrophobicContact SD-CB 3.51Å; M1-P62 VanDerWaalsContact SD-CB 3.51Å; M1-P62 HydrophobicContact SD-CG 4.49Å; M1-E67 WeakPolarHBondContact CG-OE2 3.46Å; M1-V68 PolarHBondContact N-O 2.87Å
2	F	85.3	Confident	81.8	Confident	31 Å²	31	79.8 Å²	79.8	14%	0.136	41%	0.408	C	S	.	.			trans	-101.7	3.7	-172.9	-62.8	-90.4	0	0	0	115.4	N4 I5 Q7 I11 L13 F61 L69 I71	F2-N4 PolarHBondContact O-N 3.36Å; F2-N4 VanDerWaalsContact O-N 3.11Å; F2-I5 HydrophobicContact CD1-CD1 3.83Å; F2-I5 HydrophobicContact CE1-CD1 4.38Å; F2-I5 HydrophobicContact CG-CD1 4.47Å; F2-I5 PolarHBondContact O-N 2.95Å; F2-Q7 PolarHBondContact O-NE2 3.03Å; F2-I11 HydrophobicContact CD1-CG2 4.26Å; F2-I11 HydrophobicContact CE1-CG2 3.8Å; F2-I11 HydrophobicContact CZ-CG2 4.28Å; F2-L13 HydrophobicContact CE2-CD2 4.03Å; F2-L13 HydrophobicContact CZ-CD2 3.88Å; F2-F61 AromaticContact CE2-CE1 4Å; F2-F61 HydrophobicContact CE2-CE1 4Å; F2-F61 AromaticContact CE2-CZ 3.92Å; F2-F61 HydrophobicContact CE2-CZ 3.92Å; F2-F61 HydrophobicContact CZ-CZ 4.38Å; F2-L69 WeakPolarHBondContact CB-O 3.24Å; F2-L69 HydrophobicContact CD2-CD2 4.48Å; F2-L69 HydrophobicContact CE2-CD2 4.27Å; F2-L69 PolarHBondContact N-O 3.46Å; F2-I71 HydrophobicContact CB-CG1 3.86Å; F2-I71 HydrophobicContact CD2-CD1 3.82Å; F2-I71 HydrophobicContact CD2-CG1 3.82Å; F2-I71 HydrophobicContact CE2-CD1 4.15Å; F2-I71 HydrophobicContact CG-CD1 4.22Å; F2-I71 HydrophobicContact CG-CG1 3.92Å
3	R	87.1	Confident	82	Confident	131 Å²	131	74.7 Å²	74.7	49%	0.494	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.8	-173	-171.3	174	-64.7	-65.1	-1.8	113.8	A70 E150	R3-A70 HydrophobicContact CB-CB 3.8Å; R3-A70 HydrophobicContact CG-CB 4.4Å; R3-E150 IonicContact CZ-OE1 2.79Å; R3-E150 IonicContact CZ-OE2 3.44Å; R3-E150 IonicContact NH1-OE1 2.78Å; R3-E150 IonicContact NH1-OE2 3.51Å; R3-E150 PolarHBondContact NH1-OE2 3.47Å; R3-E150 IonicContact NH2-OE1 3.63Å; R3-E150 PolarHBondContact NH2-OE1 3.31Å; R3-E150 IonicContact NH2-OE2 3.6Å
4	N	86.2	Confident	82.3	Confident	156 Å²	156	69.8 Å²	69.8	83%	0.834	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	10.2	-176.3	-59.6	-19.8	0	0	0	112.9	F2	F2-N4 PolarHBondContact O-N 3.36Å; F2-N4 VanDerWaalsContact O-N 3.11Å
5	I	82.5	Confident	82.2	Confident	94 Å²	94	67.2 Å²	67.2	48%	0.482	35%	0.348	S	S	.	.	S	Bend	trans	-96.3	143.7	178.2	-58.8	179.7	0	0	0	107.7	F2 Q7	F2-I5 HydrophobicContact CD1-CD1 3.83Å; F2-I5 HydrophobicContact CE1-CD1 4.38Å; F2-I5 HydrophobicContact CG-CD1 4.47Å; F2-I5 PolarHBondContact O-N 2.95Å; I5-Q7 WeakPolarHBondContact O-CG 3.48Å; I5-Q7 PolarHBondContact O-N 2.96Å
6	Y	82.5	Confident	82.2	Confident	199 Å²	199	63 Å²	63	78%	0.78	33%	0.326	S	S	*	.			trans	-65	117	172.4	-179.2	-115.7	0	0	0	109.8	S8	Y6-S8 WeakPolarHBondContact CE1-OG 3.07Å; Y6-S8 VanDerWaalsContact CZ-CB 3.45Å; Y6-S8 WeakPolarHBondContact OH-CB 3.26Å
7	Q	81	Confident	81.9	Confident	35 Å²	35	63.4 Å²	63.4	16%	0.164	33%	0.331	C	S	.	.			trans	-104.6	89.5	-176.6	-61.7	177	22.1	0	0	109.3	F2 I5 I11 A70 I71 L73	F2-Q7 PolarHBondContact O-NE2 3.03Å; I5-Q7 WeakPolarHBondContact O-CG 3.48Å; I5-Q7 PolarHBondContact O-N 2.96Å; Q7-I11 HydrophobicContact CB-CD1 4.01Å; Q7-I11 HydrophobicContact CG-CD1 3.88Å; Q7-A70 PolarHBondContact NE2-O 3.04Å; Q7-I71 VanDerWaalsContact OE1-CA 3.31Å; Q7-L73 HydrophobicContact CB-CD1 4.05Å; Q7-L73 HydrophobicContact CB-CG 4.17Å
8	S	76.6	Confident	81.8	Confident	54 Å²	54	61.8 Å²	61.8	38%	0.378	33%	0.334	S	S	.	.			trans	-139.6	154.6	175.7	84.9	0	0	0	0	110.7	Y6 L10	Y6-S8 WeakPolarHBondContact CE1-OG 3.07Å; Y6-S8 VanDerWaalsContact CZ-CB 3.45Å; Y6-S8 WeakPolarHBondContact OH-CB 3.26Å; S8-L10 PolarHBondContact O-N 3.43Å
9	G	77	Confident	81.9	Confident	42 Å²	42	70.8 Å²	70.8	43%	0.433	36%	0.364	S	S	.	.	S	Bend	trans	64.7	-122	-179.3	0	0	0	0	0	110.7	L175	G9-L175 VanDerWaalsContact O-O 3.1Å
10	L	75.5	Confident	82.2	Confident	61 Å²	61	73.6 Å²	73.6	32%	0.319	38%	0.375	S	S	.	.			trans	-111	135.1	-175.8	-177.4	77.4	0	0	0	111.7	S8 R172 E174	S8-L10 PolarHBondContact O-N 3.43Å; L10-R172 HydrophobicContact CD1-CB 4.35Å; L10-R172 HydrophobicContact CD1-CG 3.53Å; L10-R172 HydrophobicContact CD2-CG 3.65Å; L10-R172 VanDerWaalsContact CD2-CZ 3.45Å; L10-R172 HydrophobicContact CG-CG 4.03Å; L10-E174 HydrophobicContact CD1-CB 4.17Å; L10-E174 HydrophobicContact CD1-CG 3.71Å
11	I	82.2	Confident	82.4	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.097	37%	0.367	C	S	.	.			trans	-115.4	113.1	166.9	-51	-179.3	0	0	0	108.5	F2 Q7 L13 I71 L73 I173 L175	F2-I11 HydrophobicContact CD1-CG2 4.26Å; F2-I11 HydrophobicContact CE1-CG2 3.8Å; F2-I11 HydrophobicContact CZ-CG2 4.28Å; Q7-I11 HydrophobicContact CB-CD1 4.01Å; Q7-I11 HydrophobicContact CG-CD1 3.88Å; I11-L13 HydrophobicContact CB-CD2 4.41Å; I11-L13 HydrophobicContact CG2-CD2 3.56Å; I11-I71 HydrophobicContact CD1-CG2 4.36Å; I11-L73 HydrophobicContact CD1-CD1 3.66Å; I11-L73 HydrophobicContact CG1-CD1 3.95Å; I11-I173 VanDerWaalsContact O-O 3.14Å; I11-L175 HydrophobicContact CB-CD1 4.19Å
12	S	83	Confident	82.7	Confident	53 Å²	53	69.3 Å²	69.3	37%	0.371	36%	0.356	S	S	.	.			trans	-78.7	124.8	170.7	-173.3	0	0	0	0	109.8	L14 S170	S12-L14 PolarHBondContact OG-O 3.29Å; S12-S170 WeakPolarHBondContact CB-OG 3.36Å; S12-S170 WeakPolarHBondContact OG-CB 3.25Å; S12-S170 PolarHBondContact OG-OG 2.93Å
13	L	84.6	Confident	82.9	Confident	13 Å²	13	74.2 Å²	74.2	7%	0.068	38%	0.38	C	S	.	.	S	Bend	trans	-102.5	-18.5	177.5	-52.1	-172.7	0	0	0	112.3	F2 I11 W25 F61 I71 I154 I173	F2-L13 HydrophobicContact CE2-CD2 4.03Å; F2-L13 HydrophobicContact CZ-CD2 3.88Å; I11-L13 HydrophobicContact CB-CD2 4.41Å; I11-L13 HydrophobicContact CG2-CD2 3.56Å; L13-W25 HydrophobicContact CB-CZ2 4.29Å; L13-W25 PolarHBondContact O-NE1 2.75Å; L13-F61 HydrophobicContact CB-CD1 3.94Å; L13-F61 HydrophobicContact CB-CE1 3.8Å; L13-F61 HydrophobicContact CD1-CD1 4.03Å; L13-F61 HydrophobicContact CD1-CE1 4.02Å; L13-F61 HydrophobicContact CD2-CE1 3.9Å; L13-F61 HydrophobicContact CG-CD1 4.41Å; L13-F61 HydrophobicContact CG-CE1 4.09Å; L13-I71 HydrophobicContact CD1-CD1 3.84Å; L13-I71 HydrophobicContact CD2-CD1 3.62Å; L13-I71 HydrophobicContact CG-CD1 4.39Å; L13-I154 HydrophobicContact CD1-CD1 3.5Å; L13-I154 VanDerWaalsContact CD1-CD1 3.5Å; L13-I173 HydrophobicContact CB-CB 4.45Å; L13-I173 HydrophobicContact CB-CD1 4.18Å; L13-I173 HydrophobicContact CD1-CB 3.83Å; L13-I173 HydrophobicContact CD1-CD1 3.81Å; L13-I173 HydrophobicContact CD1-CG1 4.37Å; L13-I173 HydrophobicContact CD1-CG2 3.48Å; L13-I173 VanDerWaalsContact CD1-CG2 3.48Å; L13-I173 HydrophobicContact CG-CB 3.97Å; L13-I173 HydrophobicContact CG-CD1 4.34Å; L13-I173 HydrophobicContact CG-CG2 4.07Å
14	L	86.4	Confident	83	Confident	6 Å²	6	72 Å²	72	3%	0.031	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-147.9	136.9	177.1	-179.5	64.9	0	0	0	108.8	S12 P21 L22 W25 I47 I59 I163 V171	S12-L14 PolarHBondContact OG-O 3.29Å; L14-P21 VanDerWaalsContact CD1-O 3.23Å; L14-P21 WeakPolarHBondContact CD1-O 3.41Å; L14-L22 HydrophobicContact CD1-CD2 3.72Å; L14-W25 HydrophobicContact CB-CZ2 3.72Å; L14-W25 HydrophobicContact CD2-CZ2 4.35Å; L14-W25 HydrophobicContact CG-CZ2 4.48Å; L14-I47 HydrophobicContact CD1-CD1 3.62Å; L14-I47 HydrophobicContact CD2-CD1 4.05Å; L14-I47 HydrophobicContact CG-CD1 3.99Å; L14-I59 HydrophobicContact CD2-CD1 4.16Å; L14-I163 HydrophobicContact CD2-CD1 4.2Å; L14-I163 HydrophobicContact CD2-CG2 4.3Å; L14-V171 HydrophobicContact CB-CB 3.9Å; L14-V171 HydrophobicContact CB-CG1 4.3Å; L14-V171 HydrophobicContact CB-CG2 4.2Å; L14-V171 HydrophobicContact CD2-CB 4.38Å; L14-V171 HydrophobicContact CD2-CG1 4.27Å; L14-V171 HydrophobicContact CD2-CG2 4.16Å; L14-V171 HydrophobicContact CG-CB 4.2Å; L14-V171 HydrophobicContact CG-CG2 3.97Å; L14-V171 WeakPolarHBondContact O-CA 3.35Å; L14-V171 WeakPolarHBondContact O-CB 3.22Å; L14-V171 WeakPolarHBondContact O-CG2 3.46Å; L14-V171 PolarHBondContact O-N 3.49Å
15	S	81.6	Confident	83.3	Confident	31 Å²	31	65.2 Å²	65.2	22%	0.217	34%	0.34	C	S	.	.			trans	-133.1	134	169.7	171.4	0	0	0	0	106.3	V17 P21 D165	S15-V17 PolarHBondContact OG-N 2.85Å; S15-V17 VanDerWaalsContact OG-N 3.13Å; S15-V17 PolarHBondContact OG-O 2.93Å; S15-V17 VanDerWaalsContact OG-O 3.11Å; S15-P21 WeakPolarHBondContact O-CB 3.41Å; S15-D165 WeakPolarHBondContact CB-OD2 3.25Å; S15-D165 PolarHBondContact OG-OD2 2.77Å
16	S	81.5	Confident	83.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	S	Bend	trans	-77.8	-8.2	172.2	54.1	0	0	0	0	112.2	R36 M45 D165	S16-R36 PolarHBondContact O-NE 2.69Å; S16-R36 PolarHBondContact O-NH2 3.12Å; S16-M45 WeakPolarHBondContact CB-O 3.32Å; S16-M45 PolarHBondContact OG-O 2.68Å; S16-D165 WeakPolarHBondContact OG-CB 3.3Å; S16-D165 PolarHBondContact OG-N 2.68Å; S16-D165 VanDerWaalsContact OG-N 3.1Å
17	V	76.9	Confident	84.2	Confident	69 Å²	69	56 Å²	56	42%	0.418	31%	0.312	S	S	.	.	S	Bend	trans	-96.7	141.4	177	-178	0	0	0	0	109	S15 D165	S15-V17 PolarHBondContact OG-N 2.85Å; S15-V17 VanDerWaalsContact OG-N 3.13Å; S15-V17 PolarHBondContact OG-O 2.93Å; S15-V17 VanDerWaalsContact OG-O 3.11Å; V17-D165 HydrophobicContact CG2-CB 4.09Å
18	G	80.8	Confident	84.7	Confident	36 Å²	36	57.8 Å²	57.8	37%	0.371	32%	0.32	S	S	.	.	S	Bend	trans	117.8	-179	-175.8	0	0	0	0	0	113.6	R36	G18-R36 PolarHBondContact O-NH1 2.82Å
19	Y	83	Confident	85.3	Confident	232 Å²	232	58.4 Å²	58.4	91%	0.91	32%	0.322	S	S	*	.	S	Bend	trans	-78.9	-45.6	-174.8	-67.5	-79	0	0	0	112.7
20	E	88.4	Confident	85.9	Confident	126 Å²	126	64.9 Å²	64.9	59%	0.589	33%	0.333	S	S	*	.			trans	-132.2	75.3	-175.8	-62.6	-168	136	0	0	111.3	L22 Q23	E20-L22 PolarHBondContact O-N 2.86Å; E20-L22 VanDerWaalsContact O-N 3.13Å; E20-Q23 HydrophobicContact CB-CB 3.92Å; E20-Q23 VanDerWaalsContact O-CB 3.32Å; E20-Q23 WeakPolarHBondContact O-CB 3.45Å; E20-Q23 PolarHBondContact O-N 2.83Å; E20-Q23 VanDerWaalsContact O-N 3.09Å; E20-Q23 PolarHBondContact OE2-NE2 2.83Å
21	P	86.1	Confident	86.4	Confident	33 Å²	33	67 Å²	67	21%	0.214	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	-171.1	26.5	-37.5	0	0	0	113.8	L14 S15 I47	L14-P21 VanDerWaalsContact CD1-O 3.23Å; L14-P21 WeakPolarHBondContact CD1-O 3.41Å; S15-P21 WeakPolarHBondContact O-CB 3.41Å; P21-I47 HydrophobicContact CB-CD1 3.88Å; P21-I47 HydrophobicContact CG-CD1 4.22Å
22	L	88.6	Confident	86.5	Confident	34 Å²	34	67.4 Å²	67.4	18%	0.178	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	14.1	-179	-64.5	172.2	0	0	0	113.1	L14 E20 L24 W25 T27 I34 I47 I59	L14-L22 HydrophobicContact CD1-CD2 3.72Å; E20-L22 PolarHBondContact O-N 2.86Å; E20-L22 VanDerWaalsContact O-N 3.13Å; L22-L24 PolarHBondContact O-N 3.38Å; L22-L24 VanDerWaalsContact O-N 3.12Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.87Å; L22-W25 HydrophobicContact CD2-CD2 4.5Å; L22-W25 HydrophobicContact CD2-CG 3.98Å; L22-W25 PolarHBondContact O-N 2.88Å; L22-W25 VanDerWaalsContact O-O 3.04Å; L22-T27 HydrophobicContact CD1-CG2 4.01Å; L22-I34 HydrophobicContact CD1-CG2 3.55Å; L22-I47 HydrophobicContact CD1-CG2 4.25Å; L22-I47 HydrophobicContact CD2-CD1 4.07Å; L22-I47 HydrophobicContact CG-CD1 4.21Å; L22-I59 HydrophobicContact CD2-CD1 4.39Å; L22-I59 HydrophobicContact CD2-CG2 4.39Å
23	Q	89.9	Confident	86.7	Confident	134 Å²	134	66.2 Å²	66.2	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.3	-175	-172.8	-179.8	48.9	0	0	113.5	E20	E20-Q23 HydrophobicContact CB-CB 3.92Å; E20-Q23 VanDerWaalsContact O-CB 3.32Å; E20-Q23 WeakPolarHBondContact O-CB 3.45Å; E20-Q23 PolarHBondContact O-N 2.83Å; E20-Q23 VanDerWaalsContact O-N 3.09Å; E20-Q23 PolarHBondContact OE2-NE2 2.83Å
24	L	89.4	Confident	86.8	Confident	84 Å²	84	67.4 Å²	67.4	44%	0.44	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2	179.6	-51.1	175.5	0	0	0	113.3	M1 L22 F61 A63	M1-L24 HydrophobicContact CE-CD1 4.16Å; M1-L24 HydrophobicContact CE-CD2 4.24Å; L22-L24 PolarHBondContact O-N 3.38Å; L22-L24 VanDerWaalsContact O-N 3.12Å; L24-F61 HydrophobicContact CB-CD2 4.11Å; L24-F61 HydrophobicContact CB-CE2 3.51Å; L24-F61 HydrophobicContact CD1-CE2 4.23Å; L24-F61 VanDerWaalsContact O-CD2 3.24Å; L24-F61 WeakPolarHBondContact O-CD2 3.44Å; L24-A63 VanDerWaalsContact O-CB 3.28Å; L24-A63 WeakPolarHBondContact O-CB 3.4Å; L24-A63 PolarHBondContact O-N 3.02Å
25	W	92	Very high	86.8	Confident	14 Å²	14	72.8 Å²	72.8	5%	0.053	37%	0.374	C	S	.	.	S	Bend	trans	-104.7	129.5	-177.2	-69.5	72.4	0	0	0	110.3	L13 L14 L22 I59 T60 F61 I154 V156	L13-W25 HydrophobicContact CB-CZ2 4.29Å; L13-W25 PolarHBondContact O-NE1 2.75Å; L14-W25 HydrophobicContact CB-CZ2 3.72Å; L14-W25 HydrophobicContact CD2-CZ2 4.35Å; L14-W25 HydrophobicContact CG-CZ2 4.48Å; L22-W25 HydrophobicContact CB-CB 4.2Å; L22-W25 HydrophobicContact CD2-CB 3.87Å; L22-W25 HydrophobicContact CD2-CD2 4.5Å; L22-W25 HydrophobicContact CD2-CG 3.98Å; L22-W25 PolarHBondContact O-N 2.88Å; L22-W25 VanDerWaalsContact O-O 3.04Å; W25-I59 HydrophobicContact CE3-CB 3.89Å; W25-I59 HydrophobicContact CE3-CD1 4.02Å; W25-I59 HydrophobicContact CE3-CG1 3.82Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 4.12Å; W25-I59 HydrophobicContact CZ3-CG1 3.96Å; W25-T60 CarbonylContact C-O 3.45Å; W25-T60 VanDerWaalsContact CA-O 3.31Å; W25-T60 WeakPolarHBondContact CA-O 3.39Å; W25-F61 HydrophobicContact CD2-CB 3.6Å; W25-F61 HydrophobicContact CD2-CD2 4.27Å; W25-F61 HydrophobicContact CD2-CG 4.13Å; W25-F61 AromaticContact CE2-CG 3.73Å; W25-F61 HydrophobicContact CE3-CB 3.59Å; W25-F61 HydrophobicContact CG-CB 4.33Å; W25-F61 HydrophobicContact CG-CD2 4.25Å; W25-F61 HydrophobicContact CH2-CB 3.57Å; W25-F61 HydrophobicContact CH2-CG 4.32Å; W25-F61 HydrophobicContact CZ2-CB 3.55Å; W25-F61 HydrophobicContact CZ2-CD1 4.07Å; W25-F61 AromaticContact CZ2-CG 3.83Å; W25-F61 HydrophobicContact CZ2-CG 3.83Å; W25-F61 HydrophobicContact CZ3-CB 3.58Å; W25-F61 AromaticContact NE1-CD2 3.84Å; W25-F61 AromaticContact NE1-CG 3.99Å; W25-I154 HydrophobicContact CH2-CG2 4.1Å; W25-I154 HydrophobicContact CZ3-CG2 4.37Å; W25-V156 HydrophobicContact CZ3-CG2 4.48Å
26	A	93	Very high	87.1	Confident	26 Å²	26	76 Å²	76	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.2	167.9	0	0	0	0	0	108.6	I59 T60 A63	A26-I59 CarbonylContact O-C 3.54Å; A26-I59 VanDerWaalsContact O-CA 3.31Å; A26-I59 WeakPolarHBondContact O-CA 3.5Å; A26-T60 PolarHBondContact N-O 2.98Å; A26-T60 PolarHBondContact O-N 2.77Å; A26-A63 HydrophobicContact CB-CB 4Å; A26-A63 VanDerWaalsContact N-CB 3.34Å
27	T	91.5	Very high	87.3	Confident	74 Å²	74	78.1 Å²	78.1	45%	0.454	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.3	175.2	56	0	0	0	0	108.7	L22 I34 I59	L22-T27 HydrophobicContact CD1-CG2 4.01Å; T27-I34 HydrophobicContact CG2-CD1 3.72Å; T27-I59 HydrophobicContact CG2-CG2 4.17Å
28	E	91.6	Very high	87.8	Confident	72 Å²	72	83.4 Å²	83.4	34%	0.336	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.5	169.2	-61.8	-177.9	-175.2	0	0	106	T57 C58 R65	E28-T57 CarbonylContact O-C 2.82Å; E28-T57 WeakPolarHBondContact O-CA 3.46Å; E28-C58 PolarHBondContact N-O 2.9Å; E28-C58 PolarHBondContact O-N 2.95Å; E28-R65 IonicContact OE1-CZ 2.68Å; E28-R65 IonicContact OE1-NH2 3.9Å; E28-R65 PolarHBondContact OE1-NH2 2.96Å
29	V	89.1	Confident	87.9	Confident	68 Å²	68	82 Å²	82	41%	0.412	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.1	-178.1	-172.7	0	0	0	0	108.8	G32 I34 T57	V29-G32 VanDerWaalsContact CG1-C 3.42Å; V29-G32 VanDerWaalsContact CG1-O 3.26Å; V29-G32 WeakPolarHBondContact CG1-O 3.45Å; V29-I34 HydrophobicContact CG2-CD1 3.55Å; V29-I34 HydrophobicContact CG2-CG1 3.89Å; V29-T57 HydrophobicContact CB-CG2 4.42Å; V29-T57 HydrophobicContact CG1-CG2 4.26Å; V29-T57 HydrophobicContact CG2-CG2 4.11Å
30	R	88.8	Confident	88.1	Confident	177 Å²	177	79.5 Å²	79.5	67%	0.668	39%	0.386	S	S	*	.	S	Bend	trans	-129.1	130.2	169.6	-59.9	178.6	178.8	-177.4	-0.7	107.2	G32 E56 T57	R30-G32 PolarHBondContact O-N 2.86Å; R30-E56 HydrophobicContact CB-CB 3.94Å; R30-E56 HydrophobicContact CB-CG 4.3Å; R30-E56 WeakPolarHBondContact CB-O 3.21Å; R30-E56 PolarHBondContact N-O 3.13Å; R30-E56 WeakPolarHBondContact O-CB 3.38Å; R30-T57 PolarHBondContact O-OG1 2.84Å
31	N	85	Confident	87.6	Confident	105 Å²	105	79.1 Å²	79.1	56%	0.561	38%	0.384	S	S	*	.	S	Bend	trans	48.3	37.8	178.8	-57.1	-39.3	0	0	0	114.5	R52 E56	N31-R52 PolarHBondContact O-N 2.82Å; N31-E56 WeakPolarHBondContact CB-OE2 3.42Å; N31-E56 PolarHBondContact ND2-OE1 3.43Å
32	G	86.2	Confident	87.3	Confident	29 Å²	29	80 Å²	80	30%	0.299	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-171	-172.3	0	0	0	0	0	111.7	V29 R30 I50	V29-G32 VanDerWaalsContact CG1-C 3.42Å; V29-G32 VanDerWaalsContact CG1-O 3.26Å; V29-G32 WeakPolarHBondContact CG1-O 3.45Å; R30-G32 PolarHBondContact O-N 2.86Å; G32-I50 CarbonylContact C-O 3.58Å; G32-I50 WeakPolarHBondContact CA-O 2.9Å
33	S	85.3	Confident	87	Confident	27 Å²	27	81.7 Å²	81.7	19%	0.189	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	147.2	173.5	64.6	0	0	0	0	111.6	I50	S33-I50 PolarHBondContact N-O 3.45Å; S33-I50 PolarHBondContact O-N 3.37Å
34	I	87.8	Confident	86.6	Confident	39 Å²	39	77.5 Å²	77.5	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.5	166.7	-61	167.4	0	0	0	106.9	L22 T27 V29 I47 E48 V49 T57 I59	L22-I34 HydrophobicContact CD1-CG2 3.55Å; T27-I34 HydrophobicContact CG2-CD1 3.72Å; V29-I34 HydrophobicContact CG2-CD1 3.55Å; V29-I34 HydrophobicContact CG2-CG1 3.89Å; I34-I47 HydrophobicContact CG2-CG2 3.92Å; I34-E48 CarbonylContact C-O 3.49Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.37Å; I34-V49 HydrophobicContact CG1-CG1 3.95Å; I34-V49 HydrophobicContact CG1-CG2 4.25Å; I34-V49 HydrophobicContact CG2-CG2 4.39Å; I34-T57 HydrophobicContact CD1-CG2 4.17Å; I34-T57 HydrophobicContact CG1-CG2 3.99Å; I34-I59 HydrophobicContact CD1-CG2 3.65Å
35	K	86.8	Confident	86.3	Confident	118 Å²	118	76.1 Å²	76.1	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.6	-176.5	-65.1	179.1	-175	172	0	110.1	I37 I47 E48	K35-I37 HydrophobicContact CB-CG2 4.18Å; K35-I47 CarbonylContact O-C 3.56Å; K35-I47 WeakPolarHBondContact O-CA 3.32Å; K35-E48 PolarHBondContact N-O 3.31Å; K35-E48 PolarHBondContact O-N 3.26Å
36	R	87.2	Confident	86.1	Confident	99 Å²	99	75.4 Å²	75.4	37%	0.374	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.8	168.1	-165	-169.8	164.1	-173.6	-1.9	107.6	S16 G18 M45 V46	S16-R36 PolarHBondContact O-NE 2.69Å; S16-R36 PolarHBondContact O-NH2 3.12Å; G18-R36 PolarHBondContact O-NH1 2.82Å; R36-M45 HydrophobicContact CB-CE 4.37Å; R36-M45 HydrophobicContact CG-CB 4.33Å; R36-M45 HydrophobicContact CG-CE 3.64Å; R36-V46 VanDerWaalsContact CA-O 3.29Å; R36-V46 WeakPolarHBondContact CA-O 3.28Å
37	I	86.5	Confident	85.9	Confident	45 Å²	45	74.3 Å²	74.3	23%	0.231	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.7	-177.1	64.9	173.2	0	0	0	109.5	K35 M45 V46 E48 Q162	K35-I37 HydrophobicContact CB-CG2 4.18Å; I37-M45 CarbonylContact O-C 3.59Å; I37-M45 VanDerWaalsContact O-CA 3.29Å; I37-M45 WeakPolarHBondContact O-CA 3.29Å; I37-V46 HydrophobicContact CD1-CG2 4.15Å; I37-V46 HydrophobicContact CG1-CG2 3.45Å; I37-V46 VanDerWaalsContact CG1-CG2 3.45Å; I37-V46 PolarHBondContact N-O 2.94Å; I37-V46 PolarHBondContact O-N 2.75Å; I37-E48 HydrophobicContact CD1-CB 3.89Å; I37-E48 VanDerWaalsContact CD1-CD 3.49Å; I37-E48 HydrophobicContact CD1-CG 4.16Å; I37-E48 VanDerWaalsContact CD1-OE2 3.28Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.29Å; I37-E48 HydrophobicContact CG1-CB 4.09Å; I37-Q162 HydrophobicContact CD1-CG 4.12Å; I37-Q162 VanDerWaalsContact CD1-NE2 3.26Å
38	R	86.8	Confident	85.6	Confident	179 Å²	179	71.7 Å²	71.7	68%	0.675	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.1	170.1	-169.6	174	-168.6	152.1	5.5	108.3	S43 D44 M45	R38-S43 PolarHBondContact NE-O 2.98Å; R38-S43 VanDerWaalsContact NE-O 3.14Å; R38-S43 PolarHBondContact NH2-O 2.84Å; R38-D44 CarbonylContact C-O 3.56Å; R38-D44 WeakPolarHBondContact CA-O 3.16Å; R38-M45 HydrophobicContact CB-SD 4.12Å
39	D	83.4	Confident	85.4	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.037	33%	0.33	C	S	.	.			trans	-83	137	171.1	177.4	-102.2	0	0	0	109.6	E41 I42 S43 D44 V46 K81 W129 Q162	D39-E41 WeakPolarHBondContact OD1-CA 3.29Å; D39-E41 VanDerWaalsContact OD1-CB 3.27Å; D39-E41 WeakPolarHBondContact OD1-CB 3.29Å; D39-E41 PolarHBondContact OD1-N 3.14Å; D39-I42 HydrophobicContact CB-CD1 4.49Å; D39-I42 HydrophobicContact CB-CG1 3.81Å; D39-I42 WeakPolarHBondContact OD1-CG1 3.38Å; D39-I42 PolarHBondContact OD1-N 2.68Å; D39-S43 WeakPolarHBondContact O-CA 3.46Å; D39-S43 PolarHBondContact O-N 2.93Å; D39-D44 PolarHBondContact N-O 2.66Å; D39-V46 HydrophobicContact CB-CG1 3.65Å; D39-V46 HydrophobicContact CB-CG2 4.02Å; D39-K81 IonicContact OD1-NZ 2.77Å; D39-K81 IonicContact OD2-NZ 2.65Å; D39-K81 PolarHBondContact OD2-NZ 2.98Å; D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 2.83Å; D39-W129 VanDerWaalsContact OD1-NE1 3.13Å; D39-Q162 PolarHBondContact OD2-OE1 2.86Å
40	E	86.5	Confident	85	Confident	179 Å²	179	66.8 Å²	66.8	84%	0.836	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.1	-175.6	-63.7	179.6	175.2	0	0	112.3	S43	E40-S43 PolarHBondContact O-OG 3.27Å
41	E	78.9	Confident	84.6	Confident	119 Å²	119	58.6 Å²	58.6	56%	0.556	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-41.4	-174	-170.4	-177	162	0	0	111.6	D39 K81 W129	D39-E41 WeakPolarHBondContact OD1-CA 3.29Å; D39-E41 VanDerWaalsContact OD1-CB 3.27Å; D39-E41 WeakPolarHBondContact OD1-CB 3.29Å; D39-E41 PolarHBondContact OD1-N 3.14Å; E41-K81 WeakPolarHBondContact OE2-CE 3.07Å; E41-K81 IonicContact OE2-NZ 2.75Å; E41-K81 PolarHBondContact OE2-NZ 3.28Å; E41-W129 VanDerWaalsContact OE2-CD1 3.29Å
42	I	78.9	Confident	84.4	Confident	50 Å²	50	63 Å²	63	26%	0.256	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.3	175.1	62.6	155.9	0	0	0	113.6	D39 D44 V46 W129 A164	D39-I42 HydrophobicContact CB-CD1 4.49Å; D39-I42 HydrophobicContact CB-CG1 3.81Å; D39-I42 WeakPolarHBondContact OD1-CG1 3.38Å; D39-I42 PolarHBondContact OD1-N 2.68Å; I42-D44 HydrophobicContact CD1-CB 3.82Å; I42-D44 HydrophobicContact CG1-CB 4.27Å; I42-D44 PolarHBondContact O-N 3.01Å; I42-D44 VanDerWaalsContact O-N 3.12Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; I42-V46 HydrophobicContact CG1-CG1 4.39Å; I42-W129 HydrophobicContact CD1-CZ2 4.14Å; I42-W129 HydrophobicContact CG1-CZ2 4.21Å; I42-W129 HydrophobicContact CG2-CD2 4.4Å; I42-W129 HydrophobicContact CG2-CG 4.34Å; I42-A164 HydrophobicContact CD1-CB 3.21Å; I42-A164 HydrophobicContact CG1-CB 4.49Å
43	S	82.7	Confident	84.3	Confident	71 Å²	71	63.8 Å²	63.8	50%	0.497	30%	0.295	S	S	.	.			trans	57.4	21.4	-179.1	-69.8	0	0	0	0	115.5	R38 D39 E40	R38-S43 PolarHBondContact NE-O 2.98Å; R38-S43 VanDerWaalsContact NE-O 3.14Å; R38-S43 PolarHBondContact NH2-O 2.84Å; D39-S43 WeakPolarHBondContact O-CA 3.46Å; D39-S43 PolarHBondContact O-N 2.93Å; E40-S43 PolarHBondContact O-OG 3.27Å
44	D	81.4	Confident	84.2	Confident	45 Å²	45	63.3 Å²	63.3	24%	0.241	29%	0.291	C	S	.	.	S	Bend	trans	-122.7	170.9	-178.5	-146.1	-30.6	0	0	0	112	R38 D39 I42	R38-D44 CarbonylContact C-O 3.56Å; R38-D44 WeakPolarHBondContact CA-O 3.16Å; D39-D44 PolarHBondContact N-O 2.66Å; I42-D44 HydrophobicContact CD1-CB 3.82Å; I42-D44 HydrophobicContact CG1-CB 4.27Å; I42-D44 PolarHBondContact O-N 3.01Å; I42-D44 VanDerWaalsContact O-N 3.12Å
45	M	84	Confident	84	Confident	55 Å²	55	70.2 Å²	70.2	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	137.5	175.2	-60.6	-59.8	-61.1	0	0	110.4	S16 R36 I37 R38	S16-M45 WeakPolarHBondContact CB-O 3.32Å; S16-M45 PolarHBondContact OG-O 2.68Å; R36-M45 HydrophobicContact CB-CE 4.37Å; R36-M45 HydrophobicContact CG-CB 4.33Å; R36-M45 HydrophobicContact CG-CE 3.64Å; I37-M45 CarbonylContact O-C 3.59Å; I37-M45 VanDerWaalsContact O-CA 3.29Å; I37-M45 WeakPolarHBondContact O-CA 3.29Å; R38-M45 HydrophobicContact CB-SD 4.12Å
46	V	86.2	Confident	84	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.9	178	-55.9	0	0	0	0	110	R36 I37 D39 I42 W129 Q162 I163 A164	R36-V46 VanDerWaalsContact CA-O 3.29Å; R36-V46 WeakPolarHBondContact CA-O 3.28Å; I37-V46 HydrophobicContact CD1-CG2 4.15Å; I37-V46 HydrophobicContact CG1-CG2 3.45Å; I37-V46 VanDerWaalsContact CG1-CG2 3.45Å; I37-V46 PolarHBondContact N-O 2.94Å; I37-V46 PolarHBondContact O-N 2.75Å; D39-V46 HydrophobicContact CB-CG1 3.65Å; D39-V46 HydrophobicContact CB-CG2 4.02Å; I42-V46 HydrophobicContact CD1-CG1 3.73Å; I42-V46 HydrophobicContact CG1-CG1 4.39Å; V46-W129 HydrophobicContact CB-CH2 4.43Å; V46-W129 HydrophobicContact CG1-CH2 3.82Å; V46-W129 HydrophobicContact CG1-CZ2 3.92Å; V46-Q162 HydrophobicContact CB-CB 4.26Å; V46-Q162 HydrophobicContact CG2-CB 3.85Å; V46-Q162 HydrophobicContact CG2-CG 3.93Å; V46-I163 CarbonylContact C-O 3.58Å; V46-I163 WeakPolarHBondContact CA-O 3.15Å; V46-I163 WeakPolarHBondContact CB-O 3.42Å; V46-A164 HydrophobicContact CG1-CB 3.75Å
47	I	88.9	Confident	84	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.5	170	-59.9	167.1	0	0	0	107.4	L14 P21 L22 I34 K35 V49 I163	L14-I47 HydrophobicContact CD1-CD1 3.62Å; L14-I47 HydrophobicContact CD2-CD1 4.05Å; L14-I47 HydrophobicContact CG-CD1 3.99Å; P21-I47 HydrophobicContact CB-CD1 3.88Å; P21-I47 HydrophobicContact CG-CD1 4.22Å; L22-I47 HydrophobicContact CD1-CG2 4.25Å; L22-I47 HydrophobicContact CD2-CD1 4.07Å; L22-I47 HydrophobicContact CG-CD1 4.21Å; I34-I47 HydrophobicContact CG2-CG2 3.92Å; K35-I47 CarbonylContact O-C 3.56Å; K35-I47 WeakPolarHBondContact O-CA 3.32Å; I47-V49 HydrophobicContact CG2-CG2 4.23Å; I47-I163 HydrophobicContact CB-CB 4.3Å; I47-I163 HydrophobicContact CB-CD1 4.5Å; I47-I163 PolarHBondContact N-O 2.64Å; I47-I163 WeakPolarHBondContact O-CB 3.42Å; I47-I163 PolarHBondContact O-N 2.86Å
48	E	86.1	Confident	84.1	Confident	19 Å²	19	60.3 Å²	60.3	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.6	175.3	-169.9	-178.8	61.1	0	0	110.1	I34 K35 I37 I50 M161 Q162	I34-E48 CarbonylContact C-O 3.49Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.37Å; K35-E48 PolarHBondContact N-O 3.31Å; K35-E48 PolarHBondContact O-N 3.26Å; I37-E48 HydrophobicContact CD1-CB 3.89Å; I37-E48 VanDerWaalsContact CD1-CD 3.49Å; I37-E48 HydrophobicContact CD1-CG 4.16Å; I37-E48 VanDerWaalsContact CD1-OE2 3.28Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.29Å; I37-E48 HydrophobicContact CG1-CB 4.09Å; E48-I50 HydrophobicContact CG-CD1 4.05Å; E48-I50 HydrophobicContact CG-CG1 3.86Å; E48-I50 VanDerWaalsContact OE1-CD1 3.25Å; E48-I50 WeakPolarHBondContact OE1-CD1 3.22Å; E48-M161 CarbonylContact C-O 3.42Å; E48-M161 WeakPolarHBondContact CA-O 3.14Å; E48-Q162 HydrophobicContact CB-CG 4.21Å; E48-Q162 HydrophobicContact CG-CG 4.01Å; E48-Q162 PolarHBondContact OE2-NE2 2.99Å
49	V	86.9	Confident	84.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.4	174.4	-171.3	0	0	0	0	109.2	I34 I47 T57 I59 Y158 F160 M161 I163	I34-V49 HydrophobicContact CG1-CG1 3.95Å; I34-V49 HydrophobicContact CG1-CG2 4.25Å; I34-V49 HydrophobicContact CG2-CG2 4.39Å; I47-V49 HydrophobicContact CG2-CG2 4.23Å; V49-T57 HydrophobicContact CG1-CG2 3.51Å; V49-I59 HydrophobicContact CG2-CG2 4.46Å; V49-Y158 HydrophobicContact CB-CD2 3.55Å; V49-Y158 HydrophobicContact CB-CE2 4.03Å; V49-Y158 HydrophobicContact CB-CG 3.95Å; V49-Y158 HydrophobicContact CG1-CD2 3.45Å; V49-Y158 VanDerWaalsContact CG1-CD2 3.45Å; V49-Y158 HydrophobicContact CG1-CE2 4.21Å; V49-Y158 HydrophobicContact CG1-CG 4.05Å; V49-Y158 HydrophobicContact CG2-CD2 3.99Å; V49-Y158 HydrophobicContact CG2-CE2 3.94Å; V49-F160 CarbonylContact O-C 3.56Å; V49-F160 WeakPolarHBondContact O-CA 3.14Å; V49-M161 PolarHBondContact N-O 2.96Å; V49-M161 PolarHBondContact O-N 2.95Å; V49-I163 HydrophobicContact CG2-CD1 4.48Å
50	I	80	Confident	84.7	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.19	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.7	-177.5	-57.5	175.1	0	0	0	108.9	G32 S33 E48 T57 K159 F160	G32-I50 CarbonylContact C-O 3.58Å; G32-I50 WeakPolarHBondContact CA-O 2.9Å; S33-I50 PolarHBondContact N-O 3.45Å; S33-I50 PolarHBondContact O-N 3.37Å; E48-I50 HydrophobicContact CG-CD1 4.05Å; E48-I50 HydrophobicContact CG-CG1 3.86Å; E48-I50 VanDerWaalsContact OE1-CD1 3.25Å; E48-I50 WeakPolarHBondContact OE1-CD1 3.22Å; I50-T57 PolarHBondContact O-OG1 2.57Å; I50-K159 CarbonylContact C-O 3.52Å; I50-K159 WeakPolarHBondContact CA-O 2.98Å; I50-F160 HydrophobicContact CB-CD2 4.16Å; I50-F160 HydrophobicContact CB-CE2 4.48Å; I50-F160 HydrophobicContact CD1-CD2 3.95Å; I50-F160 HydrophobicContact CD1-CE2 3.41Å; I50-F160 VanDerWaalsContact CD1-CE2 3.41Å; I50-F160 HydrophobicContact CD1-CZ 4.26Å; I50-F160 HydrophobicContact CG1-CD2 3.55Å; I50-F160 HydrophobicContact CG1-CE2 3.56Å; I50-F160 HydrophobicContact CG2-CD2 3.84Å; I50-F160 HydrophobicContact CG2-CE2 4.23Å
51	S	81.7	Confident	84.9	Confident	5 Å²	5	43.3 Å²	43.3	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	155	172.9	-155.1	0	0	0	0	110.2	D53 E56 T57 Y158 K159	S51-D53 VanDerWaalsContact CB-O 3.22Å; S51-D53 WeakPolarHBondContact CB-O 3.12Å; S51-D53 PolarHBondContact OG-O 2.96Å; S51-E56 WeakPolarHBondContact OG-CB 3.31Å; S51-T57 WeakPolarHBondContact CB-OG1 3.18Å; S51-T57 WeakPolarHBondContact OG-CB 3.23Å; S51-T57 PolarHBondContact OG-N 2.8Å; S51-T57 PolarHBondContact OG-OG1 3.13Å; S51-Y158 WeakPolarHBondContact CB-O 3.21Å; S51-K159 PolarHBondContact N-O 2.83Å; S51-K159 CarbonylContact O-C 3.42Å; S51-K159 WeakPolarHBondContact O-CA 3.19Å; S51-K159 WeakPolarHBondContact O-CG 3.29Å
52	R	80.5	Confident	85.6	Confident	198 Å²	198	37.7 Å²	37.7	75%	0.747	18%	0.176	S	C	*	.	S	Bend	trans	-76.9	-33	168.4	-71.2	-176.9	-179.2	177.1	-0.2	112.1	N31	N31-R52 PolarHBondContact O-N 2.82Å
53	D	84.3	Confident	86.2	Confident	45 Å²	45	37.2 Å²	37.2	24%	0.241	18%	0.179	C	C	.	.	S	Bend	trans	-127.2	136.4	175.6	-175	-48	0	0	0	109.7	S51 R55 E56	S51-D53 VanDerWaalsContact CB-O 3.22Å; S51-D53 WeakPolarHBondContact CB-O 3.12Å; S51-D53 PolarHBondContact OG-O 2.96Å; D53-R55 PolarHBondContact O-N 2.84Å; D53-R55 VanDerWaalsContact OD1-CB 3.29Å; D53-R55 WeakPolarHBondContact OD1-CB 3.38Å; D53-R55 WeakPolarHBondContact OD1-CG 3.44Å; D53-R55 IonicContact OD1-CZ 3.64Å; D53-R55 PolarHBondContact OD1-N 2.77Å; D53-R55 IonicContact OD1-NE 2.68Å; D53-R55 PolarHBondContact OD1-NE 2.86Å; D53-R55 IonicContact OD1-NH2 3.39Å; D53-R55 IonicContact OD2-CZ 3.87Å; D53-R55 IonicContact OD2-NE 2.98Å; D53-R55 PolarHBondContact OD2-NE 2.89Å; D53-R55 IonicContact OD2-NH2 3.88Å; D53-R55 PolarHBondContact OD2-NH2 3.12Å; D53-E56 HydrophobicContact CB-CB 4.34Å; D53-E56 HydrophobicContact CB-CG 3.86Å; D53-E56 PolarHBondContact N-OE2 3.1Å; D53-E56 WeakPolarHBondContact O-CB 3.34Å; D53-E56 PolarHBondContact O-N 3.09Å
54	V	82.9	Confident	86.6	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.103	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.1	-179.6	70.4	0	0	0	0	113.1	D86 F108 R157	V54-D86 HydrophobicContact CB-CB 4.33Å; V54-F108 HydrophobicContact CG1-CE1 4.31Å; V54-F108 HydrophobicContact CG1-CZ 4.43Å; V54-F108 HydrophobicContact CG2-CE1 4.38Å; V54-R157 HydrophobicContact CG2-CB 4Å; V54-R157 WeakPolarHBondContact O-CB 3.2Å
55	R	84.5	Confident	86.9	Confident	184 Å²	184	43.9 Å²	43.9	69%	0.694	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.2	-179.8	-60	171.7	-68.1	175.4	1.3	113.5	D53	D53-R55 PolarHBondContact O-N 2.84Å; D53-R55 VanDerWaalsContact OD1-CB 3.29Å; D53-R55 WeakPolarHBondContact OD1-CB 3.38Å; D53-R55 WeakPolarHBondContact OD1-CG 3.44Å; D53-R55 IonicContact OD1-CZ 3.64Å; D53-R55 PolarHBondContact OD1-N 2.77Å; D53-R55 IonicContact OD1-NE 2.68Å; D53-R55 PolarHBondContact OD1-NE 2.86Å; D53-R55 IonicContact OD1-NH2 3.39Å; D53-R55 IonicContact OD2-CZ 3.87Å; D53-R55 IonicContact OD2-NE 2.98Å; D53-R55 PolarHBondContact OD2-NE 2.89Å; D53-R55 IonicContact OD2-NH2 3.88Å; D53-R55 PolarHBondContact OD2-NH2 3.12Å
56	E	86	Confident	87.2	Confident	52 Å²	52	47.1 Å²	47.1	24%	0.243	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.4	-168.7	-77	-176.4	146.1	0	0	113.8	R30 N31 S51 D53	R30-E56 HydrophobicContact CB-CB 3.94Å; R30-E56 HydrophobicContact CB-CG 4.3Å; R30-E56 WeakPolarHBondContact CB-O 3.21Å; R30-E56 PolarHBondContact N-O 3.13Å; R30-E56 WeakPolarHBondContact O-CB 3.38Å; N31-E56 WeakPolarHBondContact CB-OE2 3.42Å; N31-E56 PolarHBondContact ND2-OE1 3.43Å; S51-E56 WeakPolarHBondContact OG-CB 3.31Å; D53-E56 HydrophobicContact CB-CB 4.34Å; D53-E56 HydrophobicContact CB-CG 3.86Å; D53-E56 PolarHBondContact N-OE2 3.1Å; D53-E56 WeakPolarHBondContact O-CB 3.34Å; D53-E56 PolarHBondContact O-N 3.09Å
57	T	86.1	Confident	87.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.7	177.7	-54.3	0	0	0	0	111.2	E28 V29 R30 I34 V49 I50 S51	E28-T57 CarbonylContact O-C 2.82Å; E28-T57 WeakPolarHBondContact O-CA 3.46Å; V29-T57 HydrophobicContact CB-CG2 4.42Å; V29-T57 HydrophobicContact CG1-CG2 4.26Å; V29-T57 HydrophobicContact CG2-CG2 4.11Å; R30-T57 PolarHBondContact O-OG1 2.84Å; I34-T57 HydrophobicContact CD1-CG2 4.17Å; I34-T57 HydrophobicContact CG1-CG2 3.99Å; V49-T57 HydrophobicContact CG1-CG2 3.51Å; I50-T57 PolarHBondContact O-OG1 2.57Å; S51-T57 WeakPolarHBondContact CB-OG1 3.18Å; S51-T57 WeakPolarHBondContact OG-CB 3.23Å; S51-T57 PolarHBondContact OG-N 2.8Å; S51-T57 PolarHBondContact OG-OG1 3.13Å
58	C	89.5	Confident	87.6	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.1	175.6	78.7	0	0	0	0	113.2	E28 V156 R157	E28-C58 PolarHBondContact N-O 2.9Å; E28-C58 PolarHBondContact O-N 2.95Å; C58-V156 CarbonylContact C-O 3.19Å; C58-V156 WeakPolarHBondContact CA-O 3.28Å; C58-V156 WeakPolarHBondContact CB-O 3.31Å; C58-R157 HydrophobicContact CB-CG 3.77Å
59	I	91.3	Very high	87.8	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.5	165.7	63.4	179.3	0	0	0	108.8	L14 L22 W25 A26 T27 I34 V49 Q155 V156 Y158 I163	L14-I59 HydrophobicContact CD2-CD1 4.16Å; L22-I59 HydrophobicContact CD2-CD1 4.39Å; L22-I59 HydrophobicContact CD2-CG2 4.39Å; W25-I59 HydrophobicContact CE3-CB 3.89Å; W25-I59 HydrophobicContact CE3-CD1 4.02Å; W25-I59 HydrophobicContact CE3-CG1 3.82Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 4.12Å; W25-I59 HydrophobicContact CZ3-CG1 3.96Å; A26-I59 CarbonylContact O-C 3.54Å; A26-I59 VanDerWaalsContact O-CA 3.31Å; A26-I59 WeakPolarHBondContact O-CA 3.5Å; T27-I59 HydrophobicContact CG2-CG2 4.17Å; I34-I59 HydrophobicContact CD1-CG2 3.65Å; V49-I59 HydrophobicContact CG2-CG2 4.46Å; I59-Q155 WeakPolarHBondContact O-CA 3.31Å; I59-V156 HydrophobicContact CG1-CB 4.12Å; I59-V156 HydrophobicContact CG1-CG2 4.34Å; I59-V156 PolarHBondContact N-O 3.01Å; I59-V156 PolarHBondContact O-N 3.48Å; I59-Y158 HydrophobicContact CD1-CE2 4.4Å; I59-Y158 HydrophobicContact CG1-CE2 4.26Å; I59-I163 HydrophobicContact CD1-CD1 3.88Å
60	T	91.9	Very high	88	Confident	7 Å²	7	52 Å²	52	4%	0.043	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.5	-175.6	-64.2	0	0	0	0	111.2	W25 A26 P62 R153 I154 Q155	W25-T60 CarbonylContact C-O 3.45Å; W25-T60 VanDerWaalsContact CA-O 3.31Å; W25-T60 WeakPolarHBondContact CA-O 3.39Å; A26-T60 PolarHBondContact N-O 2.98Å; A26-T60 PolarHBondContact O-N 2.77Å; T60-P62 CarbonylContact O-C 3.48Å; T60-R153 HydrophobicContact CG2-CG 3.97Å; T60-R153 VanDerWaalsContact CG2-NH1 3.29Å; T60-I154 CarbonylContact C-O 3.5Å; T60-I154 WeakPolarHBondContact CA-O 3.42Å; T60-Q155 HydrophobicContact CG2-CG 3.89Å
61	F	91.4	Very high	88.5	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126	175.9	-169.5	-128	0	0	0	110.9	M1 F2 L13 L24 W25 L69 R153 I154	M1-F61 HydrophobicContact CE-CE2 4.38Å; M1-F61 HydrophobicContact SD-CE2 3.96Å; M1-F61 HydrophobicContact SD-CZ 4Å; F2-F61 AromaticContact CE2-CE1 4Å; F2-F61 HydrophobicContact CE2-CE1 4Å; F2-F61 AromaticContact CE2-CZ 3.92Å; F2-F61 HydrophobicContact CE2-CZ 3.92Å; F2-F61 HydrophobicContact CZ-CZ 4.38Å; L13-F61 HydrophobicContact CB-CD1 3.94Å; L13-F61 HydrophobicContact CB-CE1 3.8Å; L13-F61 HydrophobicContact CD1-CD1 4.03Å; L13-F61 HydrophobicContact CD1-CE1 4.02Å; L13-F61 HydrophobicContact CD2-CE1 3.9Å; L13-F61 HydrophobicContact CG-CD1 4.41Å; L13-F61 HydrophobicContact CG-CE1 4.09Å; L24-F61 HydrophobicContact CB-CD2 4.11Å; L24-F61 HydrophobicContact CB-CE2 3.51Å; L24-F61 HydrophobicContact CD1-CE2 4.23Å; L24-F61 VanDerWaalsContact O-CD2 3.24Å; L24-F61 WeakPolarHBondContact O-CD2 3.44Å; W25-F61 HydrophobicContact CD2-CB 3.6Å; W25-F61 HydrophobicContact CD2-CD2 4.27Å; W25-F61 HydrophobicContact CD2-CG 4.13Å; W25-F61 AromaticContact CE2-CG 3.73Å; W25-F61 HydrophobicContact CE3-CB 3.59Å; W25-F61 HydrophobicContact CG-CB 4.33Å; W25-F61 HydrophobicContact CG-CD2 4.25Å; W25-F61 HydrophobicContact CH2-CB 3.57Å; W25-F61 HydrophobicContact CH2-CG 4.32Å; W25-F61 HydrophobicContact CZ2-CB 3.55Å; W25-F61 HydrophobicContact CZ2-CD1 4.07Å; W25-F61 AromaticContact CZ2-CG 3.83Å; W25-F61 HydrophobicContact CZ2-CG 3.83Å; W25-F61 HydrophobicContact CZ3-CB 3.58Å; W25-F61 AromaticContact NE1-CD2 3.84Å; W25-F61 AromaticContact NE1-CG 3.99Å; F61-L69 HydrophobicContact CD1-CD1 4.27Å; F61-L69 HydrophobicContact CD1-CD2 3.19Å; F61-L69 HydrophobicContact CD1-CG 4.32Å; F61-L69 HydrophobicContact CE1-CD2 3.04Å; F61-L69 HydrophobicContact CE1-CG 4.42Å; F61-L69 HydrophobicContact CE2-CD2 4.44Å; F61-L69 HydrophobicContact CG-CD2 3.98Å; F61-L69 HydrophobicContact CZ-CD2 3.72Å; F61-R153 CarbonylContact O-C 3.35Å; F61-R153 WeakPolarHBondContact O-CA 3.44Å; F61-R153 WeakPolarHBondContact O-CG 3.46Å; F61-I154 PolarHBondContact N-O 2.98Å; F61-I154 PolarHBondContact O-N 2.97Å
62	P	92.1	Very high	88.8	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.006	26%	0.261	C	S	.	.	S	Bend	cis	-75.3	155.7	-0.1	31.5	-34.9	0	0	0	113.4	M1 T60 N64 E67 R153	M1-P62 HydrophobicContact CG-CB 4.49Å; M1-P62 HydrophobicContact SD-CB 3.51Å; M1-P62 VanDerWaalsContact SD-CB 3.51Å; M1-P62 HydrophobicContact SD-CG 4.49Å; T60-P62 CarbonylContact O-C 3.48Å; P62-N64 VanDerWaalsContact C-N 3.27Å; P62-N64 PolarHBondContact O-N 3.13Å; P62-E67 HydrophobicContact CB-CB 4.14Å; P62-E67 HydrophobicContact CG-CB 3.79Å; P62-E67 VanDerWaalsContact CG-O 3.24Å; P62-E67 WeakPolarHBondContact CG-O 3.3Å; P62-R153 PolarHBondContact O-NH1 2.59Å
63	A	92.2	Very high	89.1	Confident	40 Å²	40	47.7 Å²	47.7	33%	0.331	23%	0.229	S	C	.	.	S	Bend	trans	-56.4	-43.3	176.4	0	0	0	0	0	112.1	L24 A26 R65	L24-A63 VanDerWaalsContact O-CB 3.28Å; L24-A63 WeakPolarHBondContact O-CB 3.4Å; L24-A63 PolarHBondContact O-N 3.02Å; A26-A63 HydrophobicContact CB-CB 4Å; A26-A63 VanDerWaalsContact N-CB 3.34Å; A63-R65 PolarHBondContact O-N 3.11Å
64	N	91.2	Very high	89.3	Confident	69 Å²	69	46.6 Å²	46.6	37%	0.369	23%	0.225	S	C	.	.	S	Bend	trans	-73.6	125.4	176	-171.7	-8.3	0	0	0	110.8	P62 T66 E67 R153	P62-N64 VanDerWaalsContact C-N 3.27Å; P62-N64 PolarHBondContact O-N 3.13Å; N64-T66 VanDerWaalsContact C-N 3.25Å; N64-T66 PolarHBondContact ND2-OG1 2.76Å; N64-T66 PolarHBondContact O-N 3.21Å; N64-T66 PolarHBondContact OD1-N 2.81Å; N64-T66 PolarHBondContact OD1-OG1 3.07Å; N64-E67 HydrophobicContact CB-CB 4.1Å; N64-E67 HydrophobicContact CB-CG 3.92Å; N64-E67 PolarHBondContact ND2-OE1 2.86Å; N64-E67 VanDerWaalsContact ND2-OE1 3.16Å; N64-E67 PolarHBondContact O-N 3.4Å; N64-R153 PolarHBondContact O-NH2 2.5Å
65	R	88	Confident	89.5	Confident	187 Å²	187	46.3 Å²	46.3	71%	0.706	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.4	179.5	-67.7	-175.9	178.2	-174.9	-0.8	113.2	E28 A63 R153	E28-R65 IonicContact OE1-CZ 2.68Å; E28-R65 IonicContact OE1-NH2 3.9Å; E28-R65 PolarHBondContact OE1-NH2 2.96Å; A63-R65 PolarHBondContact O-N 3.11Å; R65-R153 PolarHBondContact O-NH2 3Å
66	T	89.9	Confident	89.5	Confident	123 Å²	123	37.5 Å²	37.5	76%	0.755	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-15.1	178	65.5	0	0	0	0	112.9	N64	N64-T66 VanDerWaalsContact C-N 3.25Å; N64-T66 PolarHBondContact ND2-OG1 2.76Å; N64-T66 PolarHBondContact O-N 3.21Å; N64-T66 PolarHBondContact OD1-N 2.81Å; N64-T66 PolarHBondContact OD1-OG1 3.07Å
67	E	91.4	Very high	89.4	Confident	78 Å²	78	35 Å²	35	36%	0.364	18%	0.178	S	C	.	.			trans	-87.7	156.5	179	-72.5	178.1	-149.2	0	0	111.9	M1 P62 N64 R153	M1-E67 WeakPolarHBondContact CG-OE2 3.46Å; P62-E67 HydrophobicContact CB-CB 4.14Å; P62-E67 HydrophobicContact CG-CB 3.79Å; P62-E67 VanDerWaalsContact CG-O 3.24Å; P62-E67 WeakPolarHBondContact CG-O 3.3Å; N64-E67 HydrophobicContact CB-CB 4.1Å; N64-E67 HydrophobicContact CB-CG 3.92Å; N64-E67 PolarHBondContact ND2-OE1 2.86Å; N64-E67 VanDerWaalsContact ND2-OE1 3.16Å; N64-E67 PolarHBondContact O-N 3.4Å; E67-R153 PolarHBondContact O-NH2 2.85Å
68	V	91.6	Very high	89.3	Confident	45 Å²	45	35.3 Å²	35.3	27%	0.273	18%	0.179	S	C	.	.			trans	-129.1	149	175.3	-56.2	0	0	0	0	109.9	M1 A70 V152	M1-V68 PolarHBondContact N-O 2.87Å; V68-A70 HydrophobicContact CG2-CB 4.25Å; V68-V152 HydrophobicContact CB-CG1 4.01Å; V68-V152 HydrophobicContact CG1-CG1 3.63Å
69	L	90	Very high	89.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.			trans	-62.1	-50.9	175.3	-61.8	171.5	0	0	0	110.9	F2 F61 I71 L151 V152 I154	F2-L69 WeakPolarHBondContact CB-O 3.24Å; F2-L69 HydrophobicContact CD2-CD2 4.48Å; F2-L69 HydrophobicContact CE2-CD2 4.27Å; F2-L69 PolarHBondContact N-O 3.46Å; F61-L69 HydrophobicContact CD1-CD1 4.27Å; F61-L69 HydrophobicContact CD1-CD2 3.19Å; F61-L69 HydrophobicContact CD1-CG 4.32Å; F61-L69 HydrophobicContact CE1-CD2 3.04Å; F61-L69 HydrophobicContact CE1-CG 4.42Å; F61-L69 HydrophobicContact CE2-CD2 4.44Å; F61-L69 HydrophobicContact CG-CD2 3.98Å; F61-L69 HydrophobicContact CZ-CD2 3.72Å; L69-I71 HydrophobicContact CB-CD1 4.09Å; L69-I71 HydrophobicContact CB-CG1 4.05Å; L69-L151 HydrophobicContact CD1-CB 4.43Å; L69-V152 WeakPolarHBondContact CG-O 3.48Å; L69-V152 PolarHBondContact N-O 2.95Å; L69-I154 HydrophobicContact CD1-CD1 3.6Å; L69-I154 HydrophobicContact CD1-CG1 4.27Å
70	A	91.5	Very high	88.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	18%	0.184	C	C	.	.			trans	59.8	45.7	-173.4	0	0	0	0	0	112.3	R3 Q7 V68 L151	R3-A70 HydrophobicContact CB-CB 3.8Å; R3-A70 HydrophobicContact CG-CB 4.4Å; Q7-A70 PolarHBondContact NE2-O 3.04Å; V68-A70 HydrophobicContact CG2-CB 4.25Å; A70-L151 PolarHBondContact N-O 2.87Å
71	I	89.8	Confident	88.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-99.1	122.9	177.8	-63	171.2	0	0	0	109.5	F2 Q7 I11 L13 L69 L73 E150 L151 L175	F2-I71 HydrophobicContact CB-CG1 3.86Å; F2-I71 HydrophobicContact CD2-CD1 3.82Å; F2-I71 HydrophobicContact CD2-CG1 3.82Å; F2-I71 HydrophobicContact CE2-CD1 4.15Å; F2-I71 HydrophobicContact CG-CD1 4.22Å; F2-I71 HydrophobicContact CG-CG1 3.92Å; Q7-I71 VanDerWaalsContact OE1-CA 3.31Å; I11-I71 HydrophobicContact CD1-CG2 4.36Å; L13-I71 HydrophobicContact CD1-CD1 3.84Å; L13-I71 HydrophobicContact CD2-CD1 3.62Å; L13-I71 HydrophobicContact CG-CD1 4.39Å; L69-I71 HydrophobicContact CB-CD1 4.09Å; L69-I71 HydrophobicContact CB-CG1 4.05Å; I71-L73 HydrophobicContact CG2-CB 4.14Å; I71-L73 HydrophobicContact CG2-CD1 4.46Å; I71-L73 HydrophobicContact CG2-CG 4.47Å; I71-E150 CarbonylContact O-C 3.43Å; I71-E150 VanDerWaalsContact O-CA 3.25Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.47Å; I71-L151 HydrophobicContact CB-CB 4.25Å; I71-L151 PolarHBondContact N-O 2.87Å; I71-L151 PolarHBondContact O-N 2.76Å; I71-L175 HydrophobicContact CD1-CD1 4.4Å; I71-L175 HydrophobicContact CG2-CD1 3.47Å; I71-L175 VanDerWaalsContact CG2-CD1 3.47Å; I71-L175 HydrophobicContact CG2-CD2 3.62Å; I71-L175 HydrophobicContact CG2-CG 4.15Å
72	K	88.9	Confident	88.3	Confident	132 Å²	132	38.2 Å²	38.2	57%	0.574	19%	0.193	S	C	*	.			trans	-93.6	-7.9	-174.4	-63.2	-179.9	178.6	176.7	0	114.3	E150	K72-E150 HydrophobicContact CG-CB 4.38Å
73	L	87.6	Confident	87.9	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.089	20%	0.203	C	C	.	.			trans	-73.5	139.2	-179.8	-61.7	165.5	0	0	0	108.9	Q7 I11 I71 L175	Q7-L73 HydrophobicContact CB-CD1 4.05Å; Q7-L73 HydrophobicContact CB-CG 4.17Å; I11-L73 HydrophobicContact CD1-CD1 3.66Å; I11-L73 HydrophobicContact CG1-CD1 3.95Å; I71-L73 HydrophobicContact CG2-CB 4.14Å; I71-L73 HydrophobicContact CG2-CD1 4.46Å; I71-L73 HydrophobicContact CG2-CG 4.47Å; L73-L175 HydrophobicContact CB-CB 2.93Å; L73-L175 HydrophobicContact CB-CD1 4.2Å; L73-L175 HydrophobicContact CB-CD2 4.03Å; L73-L175 HydrophobicContact CB-CG 3.9Å; L73-L175 WeakPolarHBondContact CB-O 3.47Å; L73-L175 HydrophobicContact CD1-CB 3.77Å; L73-L175 HydrophobicContact CD1-CD1 4.11Å; L73-L175 WeakPolarHBondContact CD1-O 3.28Å; L73-L175 HydrophobicContact CG-CB 3.94Å; L73-L175 WeakPolarHBondContact O-CD2 3.29Å
74	P	87.3	Confident	87.6	Confident	22 Å²	22	44.2 Å²	44.2	14%	0.143	22%	0.219	C	C	.	.			trans	-92.4	-27.7	-162.5	32.9	-35.8	0	0	0	115.1	M136 F148	P74-M136 WeakPolarHBondContact O-CB 3.37Å; P74-M136 WeakPolarHBondContact O-CG 3.31Å; P74-M136 PolarHBondContact O-N 3.34Å; P74-F148 HydrophobicContact CB-CD1 4.44Å; P74-F148 HydrophobicContact CB-CE1 4.38Å
75	L	86.5	Confident	87.3	Confident	11 Å²	11	44 Å²	44	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	149.9	-179.6	-63.6	178.9	0	0	0	108.8	M134 D135 E174 L175 T176	L75-M134 CarbonylContact C-O 3.59Å; L75-M134 WeakPolarHBondContact CA-O 3.2Å; L75-D135 HydrophobicContact CD2-CB 3.46Å; L75-D135 VanDerWaalsContact CD2-CB 3.46Å; L75-E174 CarbonylContact C-O 3.58Å; L75-E174 WeakPolarHBondContact CA-O 3.14Å; L75-E174 WeakPolarHBondContact CB-O 3.05Å; L75-E174 CarbonylContact O-C 3.48Å; L75-L175 WeakPolarHBondContact O-CA 3.26Å; L75-L175 WeakPolarHBondContact O-CB 3.41Å; L75-L175 WeakPolarHBondContact O-CD2 3.17Å; L75-L175 WeakPolarHBondContact O-CG 3.2Å; L75-L175 PolarHBondContact O-N 3.06Å; L75-T176 WeakPolarHBondContact CD1-O 3.45Å; L75-T176 WeakPolarHBondContact CD1-OG1 3.23Å; L75-T176 WeakPolarHBondContact CG-O 3.35Å
76	I	85.9	Confident	87.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.4	168	173.8	159.9	0	0	0	106	F78 V91 Q133 M134 M136 L151 I154 I173 E174	I76-F78 HydrophobicContact CD1-CE1 4.36Å; I76-F78 HydrophobicContact CD1-CE2 3.7Å; I76-F78 HydrophobicContact CD1-CZ 3.42Å; I76-F78 VanDerWaalsContact CD1-CZ 3.42Å; I76-F78 HydrophobicContact CG1-CD2 4.27Å; I76-F78 HydrophobicContact CG1-CE2 3.5Å; I76-F78 VanDerWaalsContact CG1-CE2 3.5Å; I76-F78 HydrophobicContact CG1-CZ 3.7Å; I76-V91 HydrophobicContact CD1-CG2 4.05Å; I76-Q133 CarbonylContact O-C 3.5Å; I76-Q133 VanDerWaalsContact O-CA 3.31Å; I76-Q133 WeakPolarHBondContact O-CA 2.88Å; I76-M134 HydrophobicContact CG2-CB 3.84Å; I76-M134 HydrophobicContact CG2-CE 4.1Å; I76-M134 WeakPolarHBondContact CG2-O 3.16Å; I76-M134 PolarHBondContact N-O 3.04Å; I76-M134 PolarHBondContact O-N 3.39Å; I76-M136 HydrophobicContact CB-CG 4.49Å; I76-M136 HydrophobicContact CG2-CE 3.52Å; I76-M136 HydrophobicContact CG2-CG 3.76Å; I76-M136 HydrophobicContact CG2-SD 3.69Å; I76-L151 HydrophobicContact CD1-CD1 4.41Å; I76-I154 HydrophobicContact CD1-CD1 3.96Å; I76-I154 HydrophobicContact CD1-CG1 3.89Å; I76-I173 HydrophobicContact CB-CG2 4.08Å; I76-I173 HydrophobicContact CD1-CB 4.19Å; I76-I173 HydrophobicContact CD1-CD1 3.89Å; I76-I173 HydrophobicContact CD1-CG1 3.85Å; I76-I173 HydrophobicContact CD1-CG2 3.51Å; I76-I173 HydrophobicContact CG1-CB 3.9Å; I76-I173 HydrophobicContact CG1-CD1 4.36Å; I76-I173 HydrophobicContact CG1-CG1 3.76Å; I76-I173 HydrophobicContact CG1-CG2 3.41Å; I76-I173 VanDerWaalsContact CG1-CG2 3.41Å; I76-E174 VanDerWaalsContact CA-O 3.29Å; I76-E174 WeakPolarHBondContact CA-O 3.28Å; I76-E174 PolarHBondContact N-O 3.43Å; I76-E174 VanDerWaalsContact N-O 3.11Å
77	A	84.1	Confident	87.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	169.2	171.9	0	0	0	0	0	113.5	Y131 V132 Q133 R172 I173 E174	A77-Y131 HydrophobicContact CB-CE1 4.04Å; A77-Y131 HydrophobicContact CB-CE2 3.75Å; A77-Y131 WeakPolarHBondContact CB-OH 3.49Å; A77-V132 CarbonylContact C-O 3.52Å; A77-V132 VanDerWaalsContact C-O 3.31Å; A77-V132 WeakPolarHBondContact CA-O 3.16Å; A77-V132 WeakPolarHBondContact CB-O 3.18Å; A77-Q133 HydrophobicContact CB-CB 4.03Å; A77-Q133 HydrophobicContact CB-CG 4.22Å; A77-R172 CarbonylContact C-O 3.59Å; A77-R172 WeakPolarHBondContact CA-O 2.97Å; A77-R172 WeakPolarHBondContact CB-O 3.38Å; A77-R172 PolarHBondContact N-O 3.04Å; A77-R172 CarbonylContact O-C 3.56Å; A77-I173 WeakPolarHBondContact O-CA 3.26Å; A77-I173 WeakPolarHBondContact O-CG1 3.48Å; A77-I173 PolarHBondContact O-N 3.19Å; A77-E174 HydrophobicContact CB-CB 3.81Å; A77-E174 HydrophobicContact CB-CG 3.93Å; A77-E174 VanDerWaalsContact N-N 3.17Å
78	F	84.2	Confident	87.1	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.022	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	136.1	-179.9	-58.1	-90.6	0	0	0	108.3	I76 V80 F89 Y131 V132 M134 I154 V156 I173	I76-F78 HydrophobicContact CD1-CE1 4.36Å; I76-F78 HydrophobicContact CD1-CE2 3.7Å; I76-F78 HydrophobicContact CD1-CZ 3.42Å; I76-F78 VanDerWaalsContact CD1-CZ 3.42Å; I76-F78 HydrophobicContact CG1-CD2 4.27Å; I76-F78 HydrophobicContact CG1-CE2 3.5Å; I76-F78 VanDerWaalsContact CG1-CE2 3.5Å; I76-F78 HydrophobicContact CG1-CZ 3.7Å; F78-V80 HydrophobicContact CB-CG1 4.08Å; F78-F89 HydrophobicContact CB-CE1 3.85Å; F78-F89 HydrophobicContact CB-CE2 4.12Å; F78-F89 HydrophobicContact CB-CZ 3.35Å; F78-F89 AromaticContact CD1-CD1 3.92Å; F78-F89 HydrophobicContact CD1-CD1 3.92Å; F78-F89 AromaticContact CD1-CE1 3.22Å; F78-F89 HydrophobicContact CD1-CE1 3.22Å; F78-F89 AromaticContact CD1-CZ 3.72Å; F78-F89 HydrophobicContact CD1-CZ 3.72Å; F78-F89 HydrophobicContact CD2-CD1 4.06Å; F78-F89 HydrophobicContact CD2-CD2 4.31Å; F78-F89 AromaticContact CD2-CE1 3.72Å; F78-F89 HydrophobicContact CD2-CE1 3.72Å; F78-F89 AromaticContact CD2-CE2 3.94Å; F78-F89 HydrophobicContact CD2-CE2 3.94Å; F78-F89 HydrophobicContact CD2-CG 4.37Å; F78-F89 AromaticContact CD2-CZ 3.65Å; F78-F89 HydrophobicContact CD2-CZ 3.65Å; F78-F89 AromaticContact CE1-CD1 3.71Å; F78-F89 HydrophobicContact CE1-CD1 3.71Å; F78-F89 AromaticContact CE1-CE1 3.5Å; F78-F89 HydrophobicContact CE1-CE1 3.5Å; F78-F89 VanDerWaalsContact CE1-CE1 3.5Å; F78-F89 HydrophobicContact CE1-CZ 4.34Å; F78-F89 AromaticContact CE2-CD1 3.87Å; F78-F89 HydrophobicContact CE2-CD1 3.87Å; F78-F89 HydrophobicContact CE2-CD2 4.48Å; F78-F89 AromaticContact CE2-CE1 3.98Å; F78-F89 HydrophobicContact CE2-CE1 3.98Å; F78-F89 HydrophobicContact CE2-CG 4.17Å; F78-F89 HydrophobicContact CE2-CZ 4.31Å; F78-F89 HydrophobicContact CG-CD1 4.07Å; F78-F89 AromaticContact CG-CE1 3.32Å; F78-F89 HydrophobicContact CG-CE1 3.32Å; F78-F89 HydrophobicContact CG-CE2 4.04Å; F78-F89 AromaticContact CG-CZ 3.29Å; F78-F89 HydrophobicContact CG-CZ 3.29Å; F78-F89 AromaticContact CZ-CD1 3.67Å; F78-F89 HydrophobicContact CZ-CD1 3.67Å; F78-F89 AromaticContact CZ-CE1 3.87Å; F78-F89 HydrophobicContact CZ-CE1 3.87Å; F78-F89 HydrophobicContact CZ-CG 4.34Å; F78-Y131 WeakPolarHBondContact O-CA 3.16Å; F78-V132 HydrophobicContact CB-CB 4.39Å; F78-V132 HydrophobicContact CD2-CG1 4.34Å; F78-V132 PolarHBondContact N-O 2.87Å; F78-V132 PolarHBondContact O-N 2.83Å; F78-M134 HydrophobicContact CD2-CE 4.14Å; F78-M134 HydrophobicContact CE2-CE 3.52Å; F78-I154 HydrophobicContact CE1-CG2 4.11Å; F78-I154 HydrophobicContact CZ-CG2 4.14Å; F78-V156 HydrophobicContact CE1-CG2 4.37Å; F78-I173 HydrophobicContact CD1-CD1 4.34Å; F78-I173 HydrophobicContact CD1-CG1 4.13Å; F78-I173 HydrophobicContact CE1-CD1 3.61Å; F78-I173 HydrophobicContact CE1-CG1 3.78Å; F78-I173 HydrophobicContact CZ-CD1 4.05Å; F78-I173 HydrophobicContact CZ-CG1 4.15Å
79	L	84.4	Confident	87	Confident	19 Å²	19	27.1 Å²	27.1	10%	0.099	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.1	168	-177.2	61.3	0	0	0	108.2	W129 A164 C166	L79-W129 HydrophobicContact CD1-CE3 4.12Å; L79-W129 HydrophobicContact CG-CE3 3.92Å; L79-W129 HydrophobicContact CG-CZ3 4.26Å; L79-A164 HydrophobicContact CD2-CB 3.83Å; L79-A164 HydrophobicContact CG-CB 4.26Å; L79-C166 HydrophobicContact CD2-CB 4.37Å
80	V	85.7	Confident	87.1	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138	-171.6	-67.2	0	0	0	0	112	F78 F89 L125 W129 N130 V132 M161	F78-V80 HydrophobicContact CB-CG1 4.08Å; V80-F89 HydrophobicContact CG1-CE1 4.39Å; V80-F89 HydrophobicContact CG1-CZ 3.63Å; V80-F89 HydrophobicContact CG2-CZ 4.45Å; V80-L125 HydrophobicContact CG2-CD2 4.32Å; V80-W129 VanDerWaalsContact C-CE3 3.48Å; V80-N130 HydrophobicContact CG2-CB 4.16Å; V80-N130 PolarHBondContact N-O 2.81Å; V80-N130 PolarHBondContact O-N 2.91Å; V80-V132 HydrophobicContact CG2-CG2 3.99Å; V80-M161 HydrophobicContact CB-CE 3.87Å; V80-M161 HydrophobicContact CB-CG 4.49Å; V80-M161 HydrophobicContact CB-SD 3.52Å; V80-M161 VanDerWaalsContact CB-SD 3.52Å; V80-M161 HydrophobicContact CG1-CE 3.34Å; V80-M161 HydrophobicContact CG1-SD 3.54Å; V80-M161 VanDerWaalsContact CG1-SD 3.54Å; V80-M161 HydrophobicContact CG2-SD 4.46Å
81	K	84.7	Confident	87.2	Confident	30 Å²	30	27.4 Å²	27.4	13%	0.13	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.1	171.9	-163.2	169.9	179.7	146	0	110	D39 E41 L83 G128 W129 M161 Q162	D39-K81 IonicContact OD1-NZ 2.77Å; D39-K81 IonicContact OD2-NZ 2.65Å; D39-K81 PolarHBondContact OD2-NZ 2.98Å; E41-K81 WeakPolarHBondContact OE2-CE 3.07Å; E41-K81 IonicContact OE2-NZ 2.75Å; E41-K81 PolarHBondContact OE2-NZ 3.28Å; K81-L83 HydrophobicContact CB-CD2 4.45Å; K81-L83 HydrophobicContact CD-CD2 3.95Å; K81-L83 HydrophobicContact CG-CD2 3.86Å; K81-L83 PolarHBondContact O-N 3.35Å; K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.32Å; K81-W129 HydrophobicContact CB-CD2 3.86Å; K81-W129 HydrophobicContact CB-CE3 3.83Å; K81-W129 HydrophobicContact CB-CH2 3.84Å; K81-W129 HydrophobicContact CB-CZ2 3.93Å; K81-W129 HydrophobicContact CB-CZ3 3.81Å; K81-W129 HydrophobicContact CD-CD2 4.38Å; K81-W129 HydrophobicContact CD-CZ2 3.92Å; K81-W129 HydrophobicContact CG-CD2 4.21Å; K81-W129 HydrophobicContact CG-CG 4.47Å; K81-W129 HydrophobicContact CG-CZ2 4.42Å; K81-M161 VanDerWaalsContact O-CG 3.23Å; K81-M161 WeakPolarHBondContact O-CG 3.44Å; K81-Q162 HydrophobicContact CB-CB 4.06Å; K81-Q162 PolarHBondContact N-O 3.35Å
82	N	87.3	Confident	87.4	Confident	20 Å²	20	28.1 Å²	28.1	11%	0.107	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.9	172.3	179	23	0	0	0	109.5	N84 L125 G126 G128	N82-N84 PolarHBondContact ND2-OD1 3.19Å; N82-N84 PolarHBondContact OD1-N 3.16Å; N82-L125 HydrophobicContact CB-CB 3.86Å; N82-L125 HydrophobicContact CB-CD1 4.14Å; N82-G126 WeakPolarHBondContact CB-O 3.37Å; N82-G126 PolarHBondContact ND2-O 3.02Å; N82-G128 PolarHBondContact N-O 2.97Å
83	L	84.3	Confident	87.7	Confident	42 Å²	42	21.9 Å²	21.9	22%	0.22	11%	0.113	C	C	.	.			trans	-103.8	20.3	179.1	-55.7	172.3	0	0	0	111.9	K81 E85 F160 M161 Q162	K81-L83 HydrophobicContact CB-CD2 4.45Å; K81-L83 HydrophobicContact CD-CD2 3.95Å; K81-L83 HydrophobicContact CG-CD2 3.86Å; K81-L83 PolarHBondContact O-N 3.35Å; L83-E85 PolarHBondContact O-N 2.88Å; L83-F160 HydrophobicContact CB-CD1 3.59Å; L83-F160 HydrophobicContact CB-CE1 4.34Å; L83-F160 HydrophobicContact CD1-CD1 3.11Å; L83-F160 HydrophobicContact CD1-CE1 3.45Å; L83-F160 VanDerWaalsContact CD1-CE1 3.45Å; L83-F160 HydrophobicContact CD1-CG 4.06Å; L83-F160 HydrophobicContact CG-CD1 3.86Å; L83-F160 HydrophobicContact CG-CE1 4.31Å; L83-M161 VanDerWaalsContact CD1-CA 3.47Å; L83-Q162 HydrophobicContact CD1-CG 4.19Å
84	N	84.5	Confident	88.1	Confident	125 Å²	125	21.7 Å²	21.7	67%	0.668	11%	0.113	S	C	*	.	S	Bend	trans	57.9	32.2	-177.3	-62.6	-41.8	0	0	0	113.8	N82	N82-N84 PolarHBondContact ND2-OD1 3.19Å; N82-N84 PolarHBondContact OD1-N 3.16Å
85	E	85.8	Confident	88.6	Confident	65 Å²	65	20.7 Å²	20.7	30%	0.304	11%	0.107	S	C	.	.	S	Bend	trans	-123.5	160.6	-178.2	-73.8	-71.8	-169.6	0	0	111.6	L83 F87 N107 K159 F160	L83-E85 PolarHBondContact O-N 2.88Å; E85-F87 PolarHBondContact O-N 3.18Å; E85-N107 PolarHBondContact O-ND2 2.95Å; E85-K159 HydrophobicContact CB-CB 4.3Å; E85-K159 IonicContact OE1-NZ 3.62Å; E85-K159 WeakPolarHBondContact OE2-CD 3.18Å; E85-K159 WeakPolarHBondContact OE2-CE 3.47Å; E85-K159 IonicContact OE2-NZ 3.27Å; E85-K159 PolarHBondContact OE2-NZ 3.37Å; E85-F160 HydrophobicContact CB-CB 3.78Å; E85-F160 HydrophobicContact CG-CB 3.7Å
86	D	87.8	Confident	88.9	Confident	68 Å²	68	24.4 Å²	24.4	36%	0.364	13%	0.129	S	C	.	.			trans	-61.9	132	-176.7	-75.4	-19.7	0	0	0	112.3	V54 F108 K159	V54-D86 HydrophobicContact CB-CB 4.33Å; D86-F108 HydrophobicContact CB-CD1 3.78Å; D86-F108 HydrophobicContact CB-CE1 4.19Å; D86-K159 HydrophobicContact CB-CB 4.17Å; D86-K159 HydrophobicContact CB-CD 4.33Å; D86-K159 WeakPolarHBondContact O-CB 3.04Å; D86-K159 PolarHBondContact O-N 3.49Å
87	F	86	Confident	89.4	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.022	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	139.6	-169.5	172.9	-119.5	0	0	0	112.5	E85 F89 S106 N107 L123 L125 V156 R157 Y158 M161	E85-F87 PolarHBondContact O-N 3.18Å; F87-F89 AromaticContact CE1-CD2 3.4Å; F87-F89 HydrophobicContact CE1-CD2 3.4Å; F87-F89 HydrophobicContact CE1-CE1 4.37Å; F87-F89 AromaticContact CE1-CE2 3.19Å; F87-F89 HydrophobicContact CE1-CE2 3.19Å; F87-F89 HydrophobicContact CE1-CG 4.1Å; F87-F89 AromaticContact CE1-CZ 3.72Å; F87-F89 HydrophobicContact CE1-CZ 3.72Å; F87-F89 HydrophobicContact CE2-CD1 4.35Å; F87-F89 HydrophobicContact CE2-CD2 4.48Å; F87-F89 HydrophobicContact CE2-CE1 4.27Å; F87-F89 HydrophobicContact CE2-CE2 4.45Å; F87-F89 HydrophobicContact CE2-CG 4.42Å; F87-F89 HydrophobicContact CE2-CZ 4.33Å; F87-F89 HydrophobicContact CZ-CB 4.45Å; F87-F89 AromaticContact CZ-CD1 3.62Å; F87-F89 HydrophobicContact CZ-CD1 3.62Å; F87-F89 AromaticContact CZ-CD2 3.24Å; F87-F89 HydrophobicContact CZ-CD2 3.24Å; F87-F89 AromaticContact CZ-CE1 3.48Å; F87-F89 HydrophobicContact CZ-CE1 3.48Å; F87-F89 VanDerWaalsContact CZ-CE1 3.48Å; F87-F89 AromaticContact CZ-CE2 3.14Å; F87-F89 HydrophobicContact CZ-CE2 3.14Å; F87-F89 AromaticContact CZ-CG 3.48Å; F87-F89 HydrophobicContact CZ-CG 3.48Å; F87-F89 VanDerWaalsContact CZ-CG 3.48Å; F87-F89 AromaticContact CZ-CZ 3.24Å; F87-F89 HydrophobicContact CZ-CZ 3.24Å; F87-S106 VanDerWaalsContact O-CA 3.3Å; F87-S106 WeakPolarHBondContact O-CA 3.27Å; F87-N107 PolarHBondContact N-OD1 2.9Å; F87-N107 PolarHBondContact O-N 3.37Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 3.33Å; F87-L123 HydrophobicContact CD1-CD2 3.6Å; F87-L123 HydrophobicContact CE1-CD2 3.35Å; F87-L125 HydrophobicContact CD1-CD1 3.76Å; F87-L125 HydrophobicContact CE1-CD1 4.38Å; F87-V156 HydrophobicContact CE2-CG1 3.57Å; F87-V156 HydrophobicContact CZ-CG1 3.98Å; F87-R157 WeakPolarHBondContact CD2-O 3.39Å; F87-Y158 AromaticContact CD2-CD1 3.18Å; F87-Y158 HydrophobicContact CD2-CD1 3.18Å; F87-Y158 AromaticContact CD2-CE1 3.33Å; F87-Y158 HydrophobicContact CD2-CE1 3.33Å; F87-Y158 HydrophobicContact CD2-CG 4.27Å; F87-Y158 AromaticContact CE2-CD1 3.4Å; F87-Y158 HydrophobicContact CE2-CD1 3.4Å; F87-Y158 VanDerWaalsContact CE2-CD1 3.4Å; F87-Y158 AromaticContact CE2-CE1 3Å; F87-Y158 HydrophobicContact CE2-CE1 3Å; F87-Y158 AromaticContact CE2-CZ 3.99Å; F87-Y158 HydrophobicContact CG-CD1 4.37Å; F87-Y158 AromaticContact CZ-CE1 3.99Å; F87-Y158 HydrophobicContact CZ-CE1 3.99Å; F87-M161 HydrophobicContact CD2-SD 3.97Å; F87-M161 HydrophobicContact CE2-SD 4.01Å; F87-M161 HydrophobicContact CG-SD 4.38Å; F87-M161 HydrophobicContact CZ-SD 4.28Å
88	T	90	Very high	89.9	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.2	177.1	-65.2	0	0	0	0	114	E90 R104 A105 S106 F108 V156 R157	T88-E90 HydrophobicContact CG2-CG 3.85Å; T88-R104 HydrophobicContact CG2-CG 3.54Å; T88-A105 CarbonylContact C-O 3.59Å; T88-A105 VanDerWaalsContact CA-O 3.3Å; T88-A105 WeakPolarHBondContact CA-O 3.48Å; T88-S106 VanDerWaalsContact CG2-OG 3.31Å; T88-S106 WeakPolarHBondContact CG2-OG 3.43Å; T88-S106 WeakPolarHBondContact OG1-CB 3.42Å; T88-S106 PolarHBondContact OG1-OG 3.06Å; T88-F108 VanDerWaalsContact OG1-CE1 3.24Å; T88-F108 WeakPolarHBondContact OG1-CE1 3.43Å; T88-F108 VanDerWaalsContact OG1-CZ 3.29Å; T88-F108 WeakPolarHBondContact OG1-CZ 3.44Å; T88-V156 WeakPolarHBondContact O-CG1 3.21Å; T88-R157 PolarHBondContact N-O 2.89Å; T88-R157 PolarHBondContact O-N 2.84Å
89	F	90.3	Very high	90.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.6	161.9	-70.5	-64.2	0	0	0	110.6	F78 V80 F87 R104 A105 L123 V132 M134 V156	F78-F89 HydrophobicContact CB-CE1 3.85Å; F78-F89 HydrophobicContact CB-CE2 4.12Å; F78-F89 HydrophobicContact CB-CZ 3.35Å; F78-F89 AromaticContact CD1-CD1 3.92Å; F78-F89 HydrophobicContact CD1-CD1 3.92Å; F78-F89 AromaticContact CD1-CE1 3.22Å; F78-F89 HydrophobicContact CD1-CE1 3.22Å; F78-F89 AromaticContact CD1-CZ 3.72Å; F78-F89 HydrophobicContact CD1-CZ 3.72Å; F78-F89 HydrophobicContact CD2-CD1 4.06Å; F78-F89 HydrophobicContact CD2-CD2 4.31Å; F78-F89 AromaticContact CD2-CE1 3.72Å; F78-F89 HydrophobicContact CD2-CE1 3.72Å; F78-F89 AromaticContact CD2-CE2 3.94Å; F78-F89 HydrophobicContact CD2-CE2 3.94Å; F78-F89 HydrophobicContact CD2-CG 4.37Å; F78-F89 AromaticContact CD2-CZ 3.65Å; F78-F89 HydrophobicContact CD2-CZ 3.65Å; F78-F89 AromaticContact CE1-CD1 3.71Å; F78-F89 HydrophobicContact CE1-CD1 3.71Å; F78-F89 AromaticContact CE1-CE1 3.5Å; F78-F89 HydrophobicContact CE1-CE1 3.5Å; F78-F89 VanDerWaalsContact CE1-CE1 3.5Å; F78-F89 HydrophobicContact CE1-CZ 4.34Å; F78-F89 AromaticContact CE2-CD1 3.87Å; F78-F89 HydrophobicContact CE2-CD1 3.87Å; F78-F89 HydrophobicContact CE2-CD2 4.48Å; F78-F89 AromaticContact CE2-CE1 3.98Å; F78-F89 HydrophobicContact CE2-CE1 3.98Å; F78-F89 HydrophobicContact CE2-CG 4.17Å; F78-F89 HydrophobicContact CE2-CZ 4.31Å; F78-F89 HydrophobicContact CG-CD1 4.07Å; F78-F89 AromaticContact CG-CE1 3.32Å; F78-F89 HydrophobicContact CG-CE1 3.32Å; F78-F89 HydrophobicContact CG-CE2 4.04Å; F78-F89 AromaticContact CG-CZ 3.29Å; F78-F89 HydrophobicContact CG-CZ 3.29Å; F78-F89 AromaticContact CZ-CD1 3.67Å; F78-F89 HydrophobicContact CZ-CD1 3.67Å; F78-F89 AromaticContact CZ-CE1 3.87Å; F78-F89 HydrophobicContact CZ-CE1 3.87Å; F78-F89 HydrophobicContact CZ-CG 4.34Å; V80-F89 HydrophobicContact CG1-CE1 4.39Å; V80-F89 HydrophobicContact CG1-CZ 3.63Å; V80-F89 HydrophobicContact CG2-CZ 4.45Å; F87-F89 AromaticContact CE1-CD2 3.4Å; F87-F89 HydrophobicContact CE1-CD2 3.4Å; F87-F89 HydrophobicContact CE1-CE1 4.37Å; F87-F89 AromaticContact CE1-CE2 3.19Å; F87-F89 HydrophobicContact CE1-CE2 3.19Å; F87-F89 HydrophobicContact CE1-CG 4.1Å; F87-F89 AromaticContact CE1-CZ 3.72Å; F87-F89 HydrophobicContact CE1-CZ 3.72Å; F87-F89 HydrophobicContact CE2-CD1 4.35Å; F87-F89 HydrophobicContact CE2-CD2 4.48Å; F87-F89 HydrophobicContact CE2-CE1 4.27Å; F87-F89 HydrophobicContact CE2-CE2 4.45Å; F87-F89 HydrophobicContact CE2-CG 4.42Å; F87-F89 HydrophobicContact CE2-CZ 4.33Å; F87-F89 HydrophobicContact CZ-CB 4.45Å; F87-F89 AromaticContact CZ-CD1 3.62Å; F87-F89 HydrophobicContact CZ-CD1 3.62Å; F87-F89 AromaticContact CZ-CD2 3.24Å; F87-F89 HydrophobicContact CZ-CD2 3.24Å; F87-F89 AromaticContact CZ-CE1 3.48Å; F87-F89 HydrophobicContact CZ-CE1 3.48Å; F87-F89 VanDerWaalsContact CZ-CE1 3.48Å; F87-F89 AromaticContact CZ-CE2 3.14Å; F87-F89 HydrophobicContact CZ-CE2 3.14Å; F87-F89 AromaticContact CZ-CG 3.48Å; F87-F89 HydrophobicContact CZ-CG 3.48Å; F87-F89 VanDerWaalsContact CZ-CG 3.48Å; F87-F89 AromaticContact CZ-CZ 3.24Å; F87-F89 HydrophobicContact CZ-CZ 3.24Å; F89-R104 CarbonylContact O-C 3.5Å; F89-R104 VanDerWaalsContact O-CA 3.26Å; F89-R104 WeakPolarHBondContact O-CA 3.2Å; F89-A105 PolarHBondContact N-O 2.84Å; F89-A105 PolarHBondContact O-N 2.83Å; F89-L123 HydrophobicContact CD2-CD2 4.01Å; F89-L123 HydrophobicContact CE2-CD2 4.21Å; F89-V132 HydrophobicContact CD2-CG1 4.26Å; F89-V132 HydrophobicContact CE2-CB 4.2Å; F89-V132 HydrophobicContact CE2-CG1 3.82Å; F89-V132 HydrophobicContact CE2-CG2 4.37Å; F89-M134 HydrophobicContact CB-CE 4.41Å; F89-V156 HydrophobicContact CD1-CB 4.25Å; F89-V156 HydrophobicContact CD1-CG1 3.28Å; F89-V156 HydrophobicContact CD1-CG2 3.94Å; F89-V156 HydrophobicContact CE1-CG1 3.5Å; F89-V156 HydrophobicContact CE1-CG2 4.17Å; F89-V156 HydrophobicContact CG-CG1 4.23Å
90	E	92.5	Very high	91	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.1	168.4	-43.7	-173	-160.2	0	0	110.5	T88 W102 L103 R104 Q155 R157	T88-E90 HydrophobicContact CG2-CG 3.85Å; E90-W102 HydrophobicContact CB-CE3 3.8Å; E90-W102 HydrophobicContact CB-CZ3 3.74Å; E90-L103 CarbonylContact C-O 2.78Å; E90-L103 WeakPolarHBondContact CA-O 3.29Å; E90-R104 VanDerWaalsContact CD-CZ 3.46Å; E90-R104 HydrophobicContact CG-CB 4.34Å; E90-R104 HydrophobicContact CG-CG 4.04Å; E90-R104 IonicContact OE1-CZ 2.86Å; E90-R104 IonicContact OE1-NE 2.95Å; E90-R104 PolarHBondContact OE1-NE 2.87Å; E90-R104 IonicContact OE1-NH2 3.19Å; E90-R104 PolarHBondContact OE1-NH2 2.85Å; E90-R104 IonicContact OE2-CZ 3.95Å; E90-R104 IonicContact OE2-NE 2.73Å; E90-R104 PolarHBondContact OE2-NE 2.83Å; E90-R104 IonicContact OE2-NH2 3.41Å; E90-R104 PolarHBondContact OE2-NH2 2.78Å; E90-Q155 HydrophobicContact CB-CB 4.19Å; E90-Q155 PolarHBondContact N-O 2.87Å; E90-Q155 PolarHBondContact O-N 3.16Å; E90-Q155 VanDerWaalsContact O-O 3.07Å; E90-R157 VanDerWaalsContact OE1-CD 3.29Å; E90-R157 WeakPolarHBondContact OE1-CD 3.04Å; E90-R157 IonicContact OE1-CZ 2.86Å; E90-R157 IonicContact OE1-NE 3.66Å; E90-R157 PolarHBondContact OE1-NE 2.8Å
91	V	93	Very high	91.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.8	178.2	-174.1	0	0	0	0	108.7	I76 V93 W102 L103 M136 L151 R153 I154	I76-V91 HydrophobicContact CD1-CG2 4.05Å; V91-V93 HydrophobicContact CG1-CG1 4.05Å; V91-W102 WeakPolarHBondContact O-CA 3.24Å; V91-L103 PolarHBondContact N-O 2.91Å; V91-L103 PolarHBondContact O-N 2.88Å; V91-M136 HydrophobicContact CB-SD 4.05Å; V91-M136 HydrophobicContact CG1-SD 3.75Å; V91-M136 HydrophobicContact CG2-SD 4.3Å; V91-L151 HydrophobicContact CG1-CD2 3.41Å; V91-L151 VanDerWaalsContact CG1-CD2 3.41Å; V91-R153 WeakPolarHBondContact CA-O 3.24Å; V91-I154 HydrophobicContact CG1-CG1 4.32Å; V91-I154 HydrophobicContact CG2-CG1 4.38Å
92	E	95.4	Very high	92	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.07	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.9	170.1	-167.8	-174.2	-178.6	0	0	108.8	K100 H101 W102 V152 R153	E92-K100 VanDerWaalsContact OE1-CD 3.31Å; E92-K100 WeakPolarHBondContact OE1-CD 3.23Å; E92-K100 WeakPolarHBondContact OE1-CE 3.18Å; E92-K100 IonicContact OE1-NZ 3.9Å; E92-K100 PolarHBondContact OE1-NZ 3.36Å; E92-H101 CarbonylContact C-O 3.47Å; E92-H101 WeakPolarHBondContact CA-O 3.12Å; E92-W102 HydrophobicContact CB-CD2 4.04Å; E92-W102 HydrophobicContact CB-CE3 4.02Å; E92-W102 HydrophobicContact CB-CH2 3.83Å; E92-W102 HydrophobicContact CB-CZ2 3.8Å; E92-W102 HydrophobicContact CB-CZ3 3.92Å; E92-W102 HydrophobicContact CG-CD2 4.36Å; E92-W102 HydrophobicContact CG-CZ2 4.07Å; E92-V152 HydrophobicContact CB-CB 4.08Å; E92-V152 HydrophobicContact CG-CB 3.96Å; E92-V152 HydrophobicContact CG-CG1 4.2Å; E92-V152 HydrophobicContact CG-CG2 4.49Å; E92-V152 WeakPolarHBondContact O-CB 3.36Å; E92-V152 PolarHBondContact O-N 2.88Å; E92-V152 WeakPolarHBondContact OE2-CG1 3.29Å; E92-R153 HydrophobicContact CB-CB 3.88Å; E92-R153 PolarHBondContact N-O 2.74Å; E92-R153 PolarHBondContact O-N 2.86Å; E92-R153 IonicContact OE2-NE 3.31Å
93	V	94.8	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	156.4	177	-55.9	0	0	0	0	109.8	V91 K100 H101 L103 M136 T140 F148 L151	V91-V93 HydrophobicContact CG1-CG1 4.05Å; V93-K100 WeakPolarHBondContact O-CA 3.33Å; V93-H101 HydrophobicContact CG2-CB 3.96Å; V93-H101 PolarHBondContact N-O 3.17Å; V93-H101 PolarHBondContact O-N 3.31Å; V93-L103 HydrophobicContact CG1-CD1 4.33Å; V93-M136 HydrophobicContact CG1-CB 4.46Å; V93-M136 HydrophobicContact CG1-SD 4.28Å; V93-T140 HydrophobicContact CG2-CG2 4.39Å; V93-F148 HydrophobicContact CB-CD2 4.06Å; V93-F148 HydrophobicContact CB-CE2 4.08Å; V93-F148 HydrophobicContact CG1-CD2 4.17Å; V93-F148 HydrophobicContact CG1-CE2 3.94Å; V93-L151 HydrophobicContact CG1-CD2 3.69Å
94	T	96.5	Very high	92.9	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.5	163.3	47.9	0	0	0	0	110	D99 K100 S149 E150 V152	T94-D99 VanDerWaalsContact CA-O 3.3Å; T94-D99 WeakPolarHBondContact CA-O 3.13Å; T94-K100 HydrophobicContact CG2-CG 3.84Å; T94-S149 WeakPolarHBondContact O-CB 3.37Å; T94-S149 PolarHBondContact O-N 3.19Å; T94-E150 PolarHBondContact N-O 2.84Å; T94-E150 PolarHBondContact O-N 3.45Å; T94-E150 WeakPolarHBondContact OG1-CG 3.31Å; T94-E150 PolarHBondContact OG1-O 3.24Å; T94-V152 HydrophobicContact CG2-CG2 3.49Å; T94-V152 VanDerWaalsContact CG2-CG2 3.49Å
95	D	95.8	Very high	93.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	175.8	168.5	82.2	-3	0	0	0	112.1	R97 G98 D99 H101 R146 K147 S149	D95-R97 PolarHBondContact O-N 3.39Å; D95-R97 VanDerWaalsContact OD1-CA 3.26Å; D95-R97 WeakPolarHBondContact OD1-CA 3.44Å; D95-R97 VanDerWaalsContact OD1-CB 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 2.86Å; D95-R97 PolarHBondContact OD1-N 2.88Å; D95-G98 PolarHBondContact O-N 2.74Å; D95-G98 PolarHBondContact OD1-N 2.73Å; D95-D99 PolarHBondContact N-O 2.73Å; D95-D99 PolarHBondContact OD1-N 2.95Å; D95-H101 IonicContact OD2-NE2 3.42Å; D95-R146 HydrophobicContact CB-CB 3.68Å; D95-R146 HydrophobicContact CB-CG 4.29Å; D95-R146 WeakPolarHBondContact OD2-CB 3.3Å; D95-R146 VanDerWaalsContact OD2-CD 3.25Å; D95-R146 WeakPolarHBondContact OD2-CD 3.48Å; D95-R146 WeakPolarHBondContact OD2-CG 3.19Å; D95-R146 IonicContact OD2-NE 2.85Å; D95-K147 CarbonylContact C-O 3.54Å; D95-K147 VanDerWaalsContact CA-O 3.28Å; D95-K147 WeakPolarHBondContact CA-O 3.39Å; D95-K147 WeakPolarHBondContact CB-O 3.3Å; D95-S149 VanDerWaalsContact C-CB 3.48Å; D95-S149 VanDerWaalsContact O-CB 3.29Å; D95-S149 WeakPolarHBondContact O-CB 3.46Å
96	V	94.8	Very high	93.5	Very high	89 Å²	89	35.3 Å²	35.3	54%	0.539	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	176.9	-68.4	0	0	0	0	114.7	K147	V96-K147 HydrophobicContact CG1-CB 3.85Å; V96-K147 HydrophobicContact CG1-CD 4.06Å; V96-K147 HydrophobicContact CG1-CG 3.96Å; V96-K147 HydrophobicContact CG2-CB 4.01Å; V96-K147 PolarHBondContact N-O 2.81Å
97	R	95.1	Very high	93.7	Very high	153 Å²	153	33.7 Å²	33.7	58%	0.577	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.2	174	-59.8	176.3	66.7	-137.2	3.1	112	D95 D99	D95-R97 PolarHBondContact O-N 3.39Å; D95-R97 VanDerWaalsContact OD1-CA 3.26Å; D95-R97 WeakPolarHBondContact OD1-CA 3.44Å; D95-R97 VanDerWaalsContact OD1-CB 3.28Å; D95-R97 WeakPolarHBondContact OD1-CB 2.86Å; D95-R97 PolarHBondContact OD1-N 2.88Å; R97-D99 IonicContact CZ-OD2 2.65Å; R97-D99 IonicContact NE-OD2 4Å; R97-D99 IonicContact NH1-OD2 2.97Å; R97-D99 PolarHBondContact NH1-OD2 2.66Å
98	G	94.5	Very high	93.9	Very high	52 Å²	52	37.9 Å²	37.9	54%	0.536	19%	0.187	S	C	.	.	S	Bend	trans	87.6	6.2	-173.9	0	0	0	0	0	113.6	D95	D95-G98 PolarHBondContact O-N 2.74Å; D95-G98 PolarHBondContact OD1-N 2.73Å
99	D	95.6	Very high	93.9	Very high	64 Å²	64	39.1 Å²	39.1	34%	0.342	19%	0.192	S	C	.	.			trans	-72.1	138.3	174.7	-65.6	-39.3	0	0	0	109.5	T94 D95 R97	T94-D99 VanDerWaalsContact CA-O 3.3Å; T94-D99 WeakPolarHBondContact CA-O 3.13Å; D95-D99 PolarHBondContact N-O 2.73Å; D95-D99 PolarHBondContact OD1-N 2.95Å; R97-D99 IonicContact CZ-OD2 2.65Å; R97-D99 IonicContact NE-OD2 4Å; R97-D99 IonicContact NH1-OD2 2.97Å; R97-D99 PolarHBondContact NH1-OD2 2.66Å
100	K	96	Very high	93.9	Very high	108 Å²	108	47.6 Å²	47.6	47%	0.47	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.5	-179.4	-76.7	166.4	160.5	-121	0	110.9	E92 V93 T94	E92-K100 VanDerWaalsContact OE1-CD 3.31Å; E92-K100 WeakPolarHBondContact OE1-CD 3.23Å; E92-K100 WeakPolarHBondContact OE1-CE 3.18Å; E92-K100 IonicContact OE1-NZ 3.9Å; E92-K100 PolarHBondContact OE1-NZ 3.36Å; V93-K100 WeakPolarHBondContact O-CA 3.33Å; T94-K100 HydrophobicContact CG2-CG 3.84Å
101	H	96.2	Very high	93.8	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.056	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.1	179.1	-54.5	-74.2	0	0	0	112	E92 V93 D95 P116 L117 F144	E92-H101 CarbonylContact C-O 3.47Å; E92-H101 WeakPolarHBondContact CA-O 3.12Å; V93-H101 HydrophobicContact CG2-CB 3.96Å; V93-H101 PolarHBondContact N-O 3.17Å; V93-H101 PolarHBondContact O-N 3.31Å; D95-H101 IonicContact OD2-NE2 3.42Å; H101-P116 PolarHBondContact CE1-O 2.58Å; H101-P116 PolarHBondContact ND1-O 3.4Å; H101-L117 CarbonylContact C-O 3.57Å; H101-L117 WeakPolarHBondContact CA-O 3.5Å; H101-F144 HydrophobicContact CB-CD1 4.45Å; H101-F144 HydrophobicContact CB-CD2 3.82Å; H101-F144 HydrophobicContact CB-CE1 4.11Å; H101-F144 HydrophobicContact CB-CE2 3.43Å; H101-F144 VanDerWaalsContact CB-CE2 3.43Å; H101-F144 HydrophobicContact CB-CG 4.34Å; H101-F144 HydrophobicContact CB-CZ 3.6Å; H101-F144 AromaticContact CE1-CG 3.98Å; H101-F144 AromaticContact CG-CD2 3.74Å; H101-F144 AromaticContact CG-CE2 3.86Å; H101-F144 AromaticContact CG-CG 3.84Å; H101-F144 AromaticContact ND1-CD1 3.51Å; H101-F144 AromaticContact ND1-CE1 3.77Å; H101-F144 AromaticContact ND1-CG 3.67Å
102	W	96.5	Very high	93.7	Very high	59 Å²	59	56.2 Å²	56.2	22%	0.223	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.2	173	-75.9	93.5	0	0	0	110.9	E90 V91 E92 L117 I118 C119 R153 Q155	E90-W102 HydrophobicContact CB-CE3 3.8Å; E90-W102 HydrophobicContact CB-CZ3 3.74Å; V91-W102 WeakPolarHBondContact O-CA 3.24Å; E92-W102 HydrophobicContact CB-CD2 4.04Å; E92-W102 HydrophobicContact CB-CE3 4.02Å; E92-W102 HydrophobicContact CB-CH2 3.83Å; E92-W102 HydrophobicContact CB-CZ2 3.8Å; E92-W102 HydrophobicContact CB-CZ3 3.92Å; E92-W102 HydrophobicContact CG-CD2 4.36Å; E92-W102 HydrophobicContact CG-CZ2 4.07Å; W102-L117 PolarHBondContact N-O 2.83Å; W102-I118 HydrophobicContact CB-CB 4Å; W102-I118 HydrophobicContact CB-CD1 4.05Å; W102-I118 HydrophobicContact CB-CG1 3.76Å; W102-I118 CarbonylContact O-C 3.54Å; W102-I118 WeakPolarHBondContact O-CA 3.17Å; W102-C119 PolarHBondContact O-N 3.05Å; W102-R153 HydrophobicContact CH2-CG 4.37Å; W102-Q155 HydrophobicContact CH2-CG 3.96Å; W102-Q155 HydrophobicContact CZ3-CG 4.12Å
103	L	94.4	Very high	93.6	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.2	167.7	-65.9	172	0	0	0	107.7	E90 V91 V93 C119 M121 M136 L139 A143 F144	E90-L103 CarbonylContact C-O 2.78Å; E90-L103 WeakPolarHBondContact CA-O 3.29Å; V91-L103 PolarHBondContact N-O 2.91Å; V91-L103 PolarHBondContact O-N 2.88Å; V93-L103 HydrophobicContact CG1-CD1 4.33Å; L103-C119 HydrophobicContact CD2-CB 4.04Å; L103-M121 HydrophobicContact CB-CE 4.26Å; L103-M121 HydrophobicContact CD2-CE 4.01Å; L103-M136 HydrophobicContact CD1-CE 4.01Å; L103-M136 HydrophobicContact CD1-SD 3.84Å; L103-L139 HydrophobicContact CD1-CB 3.82Å; L103-L139 HydrophobicContact CD2-CB 4.23Å; L103-A143 HydrophobicContact CD2-CB 4.12Å; L103-F144 HydrophobicContact CD2-CE2 3.72Å; L103-F144 HydrophobicContact CD2-CZ 4.27Å; L103-F144 HydrophobicContact CG-CE2 4.35Å
104	R	94.3	Very high	93.4	Very high	80 Å²	80	71 Å²	71	30%	0.302	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.2	-178.2	176	177.9	-61.8	179.8	-0.2	110.6	T88 F89 E90 I118 C119 T120 M121	T88-R104 HydrophobicContact CG2-CG 3.54Å; F89-R104 CarbonylContact O-C 3.5Å; F89-R104 VanDerWaalsContact O-CA 3.26Å; F89-R104 WeakPolarHBondContact O-CA 3.2Å; E90-R104 VanDerWaalsContact CD-CZ 3.46Å; E90-R104 HydrophobicContact CG-CB 4.34Å; E90-R104 HydrophobicContact CG-CG 4.04Å; E90-R104 IonicContact OE1-CZ 2.86Å; E90-R104 IonicContact OE1-NE 2.95Å; E90-R104 PolarHBondContact OE1-NE 2.87Å; E90-R104 IonicContact OE1-NH2 3.19Å; E90-R104 PolarHBondContact OE1-NH2 2.85Å; E90-R104 IonicContact OE2-CZ 3.95Å; E90-R104 IonicContact OE2-NE 2.73Å; E90-R104 PolarHBondContact OE2-NE 2.83Å; E90-R104 IonicContact OE2-NH2 3.41Å; E90-R104 PolarHBondContact OE2-NH2 2.78Å; R104-I118 HydrophobicContact CB-CD1 4.35Å; R104-C119 PolarHBondContact N-O 2.84Å; R104-T120 HydrophobicContact CB-CG2 4.16Å; R104-T120 CarbonylContact O-C 3.48Å; R104-T120 VanDerWaalsContact O-CA 3.27Å; R104-T120 WeakPolarHBondContact O-CA 3.36Å; R104-M121 WeakPolarHBondContact O-CG 3.37Å; R104-M121 PolarHBondContact O-N 2.83Å
105	A	93	Very high	93.2	Very high	2 Å²	2	72.3 Å²	72.3	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.7	175.1	0	0	0	0	0	109.9	T88 F89 M121 L123 M134	T88-A105 CarbonylContact C-O 3.59Å; T88-A105 VanDerWaalsContact CA-O 3.3Å; T88-A105 WeakPolarHBondContact CA-O 3.48Å; F89-A105 PolarHBondContact N-O 2.84Å; F89-A105 PolarHBondContact O-N 2.83Å; A105-M121 WeakPolarHBondContact CA-O 3.35Å; A105-M121 HydrophobicContact CB-CG 3.77Å; A105-M121 HydrophobicContact CB-SD 4.38Å; A105-L123 HydrophobicContact CB-CB 4.23Å; A105-M134 HydrophobicContact CB-SD 4.23Å
106	S	91.9	Very high	93	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.014	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.9	-174.6	-59.3	0	0	0	0	111.6	F87 T88 Q109 M121 L123	F87-S106 VanDerWaalsContact O-CA 3.3Å; F87-S106 WeakPolarHBondContact O-CA 3.27Å; T88-S106 VanDerWaalsContact CG2-OG 3.31Å; T88-S106 WeakPolarHBondContact CG2-OG 3.43Å; T88-S106 WeakPolarHBondContact OG1-CB 3.42Å; T88-S106 PolarHBondContact OG1-OG 3.06Å; S106-Q109 PolarHBondContact O-N 2.82Å; S106-M121 PolarHBondContact N-O 2.77Å; S106-L123 PolarHBondContact O-N 2.86Å
107	N	90.4	Very high	93	Very high	34 Å²	34	79 Å²	79	18%	0.182	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.9	-177.7	70	-17	0	0	0	114.1	E85 F87 Q109 L123	E85-N107 PolarHBondContact O-ND2 2.95Å; F87-N107 PolarHBondContact N-OD1 2.9Å; F87-N107 PolarHBondContact O-N 3.37Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 3.33Å; N107-Q109 VanDerWaalsContact C-N 3.34Å; N107-L123 WeakPolarHBondContact CA-O 3.33Å
108	F	90.2	Very high	93.1	Very high	93 Å²	93	73.9 Å²	73.9	41%	0.408	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.1	173.9	53.3	-97.1	0	0	0	113.5	V54 D86 T88	V54-F108 HydrophobicContact CG1-CE1 4.31Å; V54-F108 HydrophobicContact CG1-CZ 4.43Å; V54-F108 HydrophobicContact CG2-CE1 4.38Å; D86-F108 HydrophobicContact CB-CD1 3.78Å; D86-F108 HydrophobicContact CB-CE1 4.19Å; T88-F108 VanDerWaalsContact OG1-CE1 3.24Å; T88-F108 WeakPolarHBondContact OG1-CE1 3.43Å; T88-F108 VanDerWaalsContact OG1-CZ 3.29Å; T88-F108 WeakPolarHBondContact OG1-CZ 3.44Å
109	Q	89.9	Confident	93.1	Very high	30 Å²	30	72 Å²	72	14%	0.14	34%	0.344	C	S	.	.			trans	-80.2	137.1	178.3	-178.5	158.7	-27.3	0	0	110.8	S106 N107 K111 T120 P122	S106-Q109 PolarHBondContact O-N 2.82Å; N107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-K111 WeakPolarHBondContact CG-O 3.5Å; Q109-K111 PolarHBondContact NE2-O 2.72Å; Q109-T120 PolarHBondContact NE2-O 2.78Å; Q109-T120 VanDerWaalsContact NE2-O 3.15Å; Q109-T120 PolarHBondContact NE2-OG1 2.74Å; Q109-T120 VanDerWaalsContact OE1-CB 3.32Å; Q109-P122 WeakPolarHBondContact O-CB 3.35Å
110	K	90.2	Very high	93.1	Very high	179 Å²	179	69.8 Å²	69.8	78%	0.778	33%	0.333	S	S	*	.			trans	-101.9	-32	-177.7	-65.3	-174.2	-179.8	-179.2	0	114.5
111	K	90.7	Very high	93	Very high	136 Å²	136	65.4 Å²	65.4	59%	0.591	31%	0.314	S	S	*	.	S	Bend	trans	-133.8	145.2	-175.8	-64.1	-168.9	178.4	-166.5	0	109.6	Q109	Q109-K111 WeakPolarHBondContact CG-O 3.5Å; Q109-K111 PolarHBondContact NE2-O 2.72Å
112	S	92.4	Very high	92.9	Very high	53 Å²	53	65.9 Å²	65.9	37%	0.371	32%	0.318	S	S	.	.			trans	-67.8	145.3	172.6	-51.8	0	0	0	0	110.9	T120 P122	S112-T120 CarbonylContact C-O 3.6Å; S112-T120 WeakPolarHBondContact CA-O 3.26Å; S112-P122 WeakPolarHBondContact OG-CD 3.39Å
113	R	92	Very high	92.6	Very high	191 Å²	191	63.3 Å²	63.3	72%	0.721	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	133	171.6	-53.4	-178.6	175.8	-150.1	-0.7	109.3	C119 T120	R113-C119 WeakPolarHBondContact O-CA 3.31Å; R113-T120 WeakPolarHBondContact CB-OG1 3.13Å; R113-T120 PolarHBondContact N-O 3.25Å; R113-T120 PolarHBondContact N-OG1 3.15Å; R113-T120 PolarHBondContact O-N 3.49Å; R113-T120 PolarHBondContact O-OG1 2.8Å
114	Q	91.6	Very high	92.4	Very high	133 Å²	133	70.5 Å²	70.5	62%	0.621	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	-177.5	-175.9	-168.9	-3.1	0	0	109.8	A143	Q114-A143 VanDerWaalsContact CG-O 3.26Å; Q114-A143 WeakPolarHBondContact CG-O 3.48Å; Q114-A143 PolarHBondContact NE2-O 3.01Å
115	S	92	Very high	92	Very high	43 Å²	43	68.2 Å²	68.2	30%	0.301	33%	0.329	S	S	.	.			trans	-135.6	169.4	167.2	72.4	0	0	0	0	108.4	L117 I118 F144	S115-L117 PolarHBondContact O-N 3.44Å; S115-I118 PolarHBondContact N-O 3.25Å; S115-I118 WeakPolarHBondContact OG-CG2 3.31Å; S115-I118 PolarHBondContact OG-N 2.77Å; S115-I118 PolarHBondContact OG-O 2.69Å; S115-F144 WeakPolarHBondContact O-CE1 3.08Å
116	P	92.3	Very high	91.8	Very high	110 Å²	110	69.5 Å²	69.5	71%	0.714	34%	0.343	S	S	*	.	S	Bend	trans	-57.5	-31.3	179.3	-27.1	36.1	0	0	0	114.5	H101	H101-P116 PolarHBondContact CE1-O 2.58Å; H101-P116 PolarHBondContact ND1-O 3.4Å
117	L	94.9	Very high	91.6	Very high	119 Å²	119	78 Å²	78	62%	0.623	38%	0.382	S	S	*	.	S	Bend	trans	-104.9	-29.1	-174.2	-62	178.2	0	0	0	113.6	H101 W102 S115	H101-L117 CarbonylContact C-O 3.57Å; H101-L117 WeakPolarHBondContact CA-O 3.5Å; W102-L117 PolarHBondContact N-O 2.83Å; S115-L117 PolarHBondContact O-N 3.44Å
118	I	95.4	Very high	91.4	Very high	46 Å²	46	76.9 Å²	76.9	24%	0.236	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136	-176.1	-174.9	167.1	0	0	0	111.5	W102 R104 S115 T120	W102-I118 HydrophobicContact CB-CB 4Å; W102-I118 HydrophobicContact CB-CD1 4.05Å; W102-I118 HydrophobicContact CB-CG1 3.76Å; W102-I118 CarbonylContact O-C 3.54Å; W102-I118 WeakPolarHBondContact O-CA 3.17Å; R104-I118 HydrophobicContact CB-CD1 4.35Å; S115-I118 PolarHBondContact N-O 3.25Å; S115-I118 WeakPolarHBondContact OG-CG2 3.31Å; S115-I118 PolarHBondContact OG-N 2.77Å; S115-I118 PolarHBondContact OG-O 2.69Å; I118-T120 HydrophobicContact CD1-CG2 4.03Å; I118-T120 HydrophobicContact CG1-CG2 4Å
119	C	95.6	Very high	91.2	Very high	13 Å²	13	73.2 Å²	73.2	9%	0.088	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.7	165.1	-179.3	0	0	0	0	108.7	W102 L103 R104 R113 A143 F144	W102-C119 PolarHBondContact O-N 3.05Å; L103-C119 HydrophobicContact CD2-CB 4.04Å; R104-C119 PolarHBondContact N-O 2.84Å; R113-C119 WeakPolarHBondContact O-CA 3.31Å; C119-A143 HydrophobicContact CB-CB 3.62Å; C119-F144 HydrophobicContact CB-CE1 4.23Å; C119-F144 HydrophobicContact CB-CE2 4.34Å; C119-F144 HydrophobicContact CB-CZ 3.67Å
120	T	94.8	Very high	91	Very high	18 Å²	18	72.1 Å²	72.1	11%	0.11	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.7	177.7	62.1	0	0	0	0	108.4	R104 Q109 S112 R113 I118	R104-T120 HydrophobicContact CB-CG2 4.16Å; R104-T120 CarbonylContact O-C 3.48Å; R104-T120 VanDerWaalsContact O-CA 3.27Å; R104-T120 WeakPolarHBondContact O-CA 3.36Å; Q109-T120 PolarHBondContact NE2-O 2.78Å; Q109-T120 VanDerWaalsContact NE2-O 3.15Å; Q109-T120 PolarHBondContact NE2-OG1 2.74Å; Q109-T120 VanDerWaalsContact OE1-CB 3.32Å; S112-T120 CarbonylContact C-O 3.6Å; S112-T120 WeakPolarHBondContact CA-O 3.26Å; R113-T120 WeakPolarHBondContact CB-OG1 3.13Å; R113-T120 PolarHBondContact N-O 3.25Å; R113-T120 PolarHBondContact N-OG1 3.15Å; R113-T120 PolarHBondContact O-N 3.49Å; R113-T120 PolarHBondContact O-OG1 2.8Å; I118-T120 HydrophobicContact CD1-CG2 4.03Å; I118-T120 HydrophobicContact CG1-CG2 4Å
121	M	94.6	Very high	90.8	Very high	15 Å²	15	66.1 Å²	66.1	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.3	-175.5	68	-165.8	78.2	0	0	111.4	L103 R104 A105 S106 L139	L103-M121 HydrophobicContact CB-CE 4.26Å; L103-M121 HydrophobicContact CD2-CE 4.01Å; R104-M121 WeakPolarHBondContact O-CG 3.37Å; R104-M121 PolarHBondContact O-N 2.83Å; A105-M121 WeakPolarHBondContact CA-O 3.35Å; A105-M121 HydrophobicContact CB-CG 3.77Å; A105-M121 HydrophobicContact CB-SD 4.38Å; S106-M121 PolarHBondContact N-O 2.77Å; M121-L139 HydrophobicContact CE-CD1 4.29Å; M121-L139 HydrophobicContact CE-CD2 3.98Å; M121-L139 HydrophobicContact SD-CD1 4.23Å; M121-L139 HydrophobicContact SD-CD2 3.9Å
122	P	93.9	Very high	90.5	Very high	22 Å²	22	59.8 Å²	59.8	14%	0.143	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.7	173.7	30.6	-34.3	0	0	0	110.2	Q109 S112 L195	Q109-P122 WeakPolarHBondContact O-CB 3.35Å; S112-P122 WeakPolarHBondContact OG-CD 3.39Å; P122-L195 HydrophobicContact CG-CD2 3.77Å
123	L	91	Very high	90.2	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	30%	0.297	C	S	.	.			trans	-105.2	136.4	168.6	-174.8	64.7	0	0	0	109	F87 F89 A105 S106 N107 L125 V132 L190	F87-L123 HydrophobicContact CD1-CD2 3.6Å; F87-L123 HydrophobicContact CE1-CD2 3.35Å; F89-L123 HydrophobicContact CD2-CD2 4.01Å; F89-L123 HydrophobicContact CE2-CD2 4.21Å; A105-L123 HydrophobicContact CB-CB 4.23Å; S106-L123 PolarHBondContact O-N 2.86Å; N107-L123 WeakPolarHBondContact CA-O 3.33Å; L123-L125 HydrophobicContact CD1-CD2 4.45Å; L123-L125 HydrophobicContact CD2-CD1 4.32Å; L123-L125 HydrophobicContact CD2-CD2 4.08Å; L123-L125 HydrophobicContact CD2-CG 4.2Å; L123-L125 HydrophobicContact CG-CD2 4.11Å; L123-L125 HydrophobicContact CG-CG 4.19Å; L123-V132 HydrophobicContact CD1-CG1 4.13Å; L123-V132 HydrophobicContact CD1-CG2 4.35Å; L123-L190 HydrophobicContact CD1-CD1 4.02Å; L123-L190 HydrophobicContact CD1-CD2 4.06Å
124	R	89.6	Confident	90	Very high	156 Å²	156	51.5 Å²	51.5	59%	0.589	27%	0.267	S	S	*	.			trans	-115.8	126.1	173.6	-66.8	-66.7	-176.2	-116.4	-0.8	108	L190	R124-L190 WeakPolarHBondContact O-CD2 3.13Å
125	L	86.6	Confident	89.8	Confident	32 Å²	32	45.8 Å²	45.8	17%	0.168	24%	0.24	C	C	.	.			trans	-121	136.4	176.7	-60.2	177.4	0	0	0	108.1	V80 N82 F87 L123 N130 V132	V80-L125 HydrophobicContact CG2-CD2 4.32Å; N82-L125 HydrophobicContact CB-CB 3.86Å; N82-L125 HydrophobicContact CB-CD1 4.14Å; F87-L125 HydrophobicContact CD1-CD1 3.76Å; F87-L125 HydrophobicContact CE1-CD1 4.38Å; L123-L125 HydrophobicContact CD1-CD2 4.45Å; L123-L125 HydrophobicContact CD2-CD1 4.32Å; L123-L125 HydrophobicContact CD2-CD2 4.08Å; L123-L125 HydrophobicContact CD2-CG 4.2Å; L123-L125 HydrophobicContact CG-CD2 4.11Å; L123-L125 HydrophobicContact CG-CG 4.19Å; L125-N130 HydrophobicContact CD2-CB 3.92Å; L125-V132 HydrophobicContact CD2-CG2 3.49Å; L125-V132 VanDerWaalsContact CD2-CG2 3.49Å
126	G	88.2	Confident	89.8	Confident	29 Å²	29	43.7 Å²	43.7	30%	0.299	23%	0.226	S	C	.	.			trans	-74	176.4	166.3	0	0	0	0	0	111.3	N82 N130	N82-G126 WeakPolarHBondContact CB-O 3.37Å; N82-G126 PolarHBondContact ND2-O 3.02Å; G126-N130 PolarHBondContact N-OD1 2.85Å; G126-N130 PolarHBondContact O-ND2 2.84Å
127	E	86.9	Confident	89.6	Confident	180 Å²	180	39.9 Å²	39.9	84%	0.841	20%	0.202	S	C	*	.	S	Bend	trans	-67.1	143.1	172.2	-171.9	174.6	-179.5	0	0	110.9
128	G	87.3	Confident	89.5	Confident	11 Å²	11	36.1 Å²	36.1	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-145	176.7	0	0	0	0	0	114.2	K81 N82 N130	K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.32Å; N82-G128 PolarHBondContact N-O 2.97Å; G128-N130 PolarHBondContact O-ND2 2.79Å
129	W	85.8	Confident	89.3	Confident	17 Å²	17	34.9 Å²	34.9	6%	0.064	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.7	-176.9	-73.2	103.4	0	0	0	113	D39 E41 I42 V46 L79 V80 K81 Q162 A164	D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 2.83Å; D39-W129 VanDerWaalsContact OD1-NE1 3.13Å; E41-W129 VanDerWaalsContact OE2-CD1 3.29Å; I42-W129 HydrophobicContact CD1-CZ2 4.14Å; I42-W129 HydrophobicContact CG1-CZ2 4.21Å; I42-W129 HydrophobicContact CG2-CD2 4.4Å; I42-W129 HydrophobicContact CG2-CG 4.34Å; V46-W129 HydrophobicContact CB-CH2 4.43Å; V46-W129 HydrophobicContact CG1-CH2 3.82Å; V46-W129 HydrophobicContact CG1-CZ2 3.92Å; L79-W129 HydrophobicContact CD1-CE3 4.12Å; L79-W129 HydrophobicContact CG-CE3 3.92Å; L79-W129 HydrophobicContact CG-CZ3 4.26Å; V80-W129 VanDerWaalsContact C-CE3 3.48Å; K81-W129 HydrophobicContact CB-CD2 3.86Å; K81-W129 HydrophobicContact CB-CE3 3.83Å; K81-W129 HydrophobicContact CB-CH2 3.84Å; K81-W129 HydrophobicContact CB-CZ2 3.93Å; K81-W129 HydrophobicContact CB-CZ3 3.81Å; K81-W129 HydrophobicContact CD-CD2 4.38Å; K81-W129 HydrophobicContact CD-CZ2 3.92Å; K81-W129 HydrophobicContact CG-CD2 4.21Å; K81-W129 HydrophobicContact CG-CG 4.47Å; K81-W129 HydrophobicContact CG-CZ2 4.42Å; W129-Q162 HydrophobicContact CH2-CB 3.92Å; W129-Q162 WeakPolarHBondContact CH2-O 3.39Å; W129-Q162 HydrophobicContact CZ2-CB 4.33Å; W129-Q162 VanDerWaalsContact CZ3-O 3.3Å; W129-Q162 WeakPolarHBondContact CZ3-O 3.39Å; W129-A164 HydrophobicContact CE3-CB 4.02Å; W129-A164 HydrophobicContact CH2-CB 3.19Å; W129-A164 HydrophobicContact CZ2-CB 3.77Å; W129-A164 HydrophobicContact CZ3-CB 3.32Å
130	N	86.1	Confident	89.2	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.5	-178.6	-72.2	-98.8	0	0	0	110.3	V80 L125 G126 G128	V80-N130 HydrophobicContact CG2-CB 4.16Å; V80-N130 PolarHBondContact N-O 2.81Å; V80-N130 PolarHBondContact O-N 2.91Å; L125-N130 HydrophobicContact CD2-CB 3.92Å; G126-N130 PolarHBondContact N-OD1 2.85Å; G126-N130 PolarHBondContact O-ND2 2.84Å; G128-N130 PolarHBondContact O-ND2 2.79Å
131	Y	85.9	Confident	89.2	Confident	53 Å²	53	39.2 Å²	39.2	21%	0.208	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	102.1	169.9	-177.2	-96.5	0	0	0	109.4	A77 F78 Q133 E174	A77-Y131 HydrophobicContact CB-CE1 4.04Å; A77-Y131 HydrophobicContact CB-CE2 3.75Å; A77-Y131 WeakPolarHBondContact CB-OH 3.49Å; F78-Y131 WeakPolarHBondContact O-CA 3.16Å; Y131-Q133 HydrophobicContact CE1-CB 3.96Å; Y131-E174 WeakPolarHBondContact OH-CG 3.33Å; Y131-E174 PolarHBondContact OH-OE1 2.82Å
132	V	84.9	Confident	89	Confident	2 Å²	2	43 Å²	43	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.1	-177.3	167.3	0	0	0	0	108.7	A77 F78 V80 F89 L123 L125 M134 L190	A77-V132 CarbonylContact C-O 3.52Å; A77-V132 VanDerWaalsContact C-O 3.31Å; A77-V132 WeakPolarHBondContact CA-O 3.16Å; A77-V132 WeakPolarHBondContact CB-O 3.18Å; F78-V132 HydrophobicContact CB-CB 4.39Å; F78-V132 HydrophobicContact CD2-CG1 4.34Å; F78-V132 PolarHBondContact N-O 2.87Å; F78-V132 PolarHBondContact O-N 2.83Å; V80-V132 HydrophobicContact CG2-CG2 3.99Å; F89-V132 HydrophobicContact CD2-CG1 4.26Å; F89-V132 HydrophobicContact CE2-CB 4.2Å; F89-V132 HydrophobicContact CE2-CG1 3.82Å; F89-V132 HydrophobicContact CE2-CG2 4.37Å; L123-V132 HydrophobicContact CD1-CG1 4.13Å; L123-V132 HydrophobicContact CD1-CG2 4.35Å; L125-V132 HydrophobicContact CD2-CG2 3.49Å; L125-V132 VanDerWaalsContact CD2-CG2 3.49Å; V132-M134 HydrophobicContact CG1-CG 4.43Å; V132-L190 HydrophobicContact CB-CD1 4.08Å; V132-L190 HydrophobicContact CG1-CD1 3.62Å; V132-L190 HydrophobicContact CG2-CD1 4.18Å
133	Q	86.1	Confident	89	Confident	53 Å²	53	42.3 Å²	42.3	25%	0.248	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.2	173.5	-175.3	179	-43.8	0	0	110.6	I76 A77 Y131	I76-Q133 CarbonylContact O-C 3.5Å; I76-Q133 VanDerWaalsContact O-CA 3.31Å; I76-Q133 WeakPolarHBondContact O-CA 2.88Å; A77-Q133 HydrophobicContact CB-CB 4.03Å; A77-Q133 HydrophobicContact CB-CG 4.22Å; Y131-Q133 HydrophobicContact CE1-CB 3.96Å
134	M	85.8	Confident	89.2	Confident	17 Å²	17	43.4 Å²	43.4	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.8	178	-60.5	-177	-77.8	0	0	110.5	L75 I76 F78 F89 A105 V132 M136 L139	L75-M134 CarbonylContact C-O 3.59Å; L75-M134 WeakPolarHBondContact CA-O 3.2Å; I76-M134 HydrophobicContact CG2-CB 3.84Å; I76-M134 HydrophobicContact CG2-CE 4.1Å; I76-M134 WeakPolarHBondContact CG2-O 3.16Å; I76-M134 PolarHBondContact N-O 3.04Å; I76-M134 PolarHBondContact O-N 3.39Å; F78-M134 HydrophobicContact CD2-CE 4.14Å; F78-M134 HydrophobicContact CE2-CE 3.52Å; F89-M134 HydrophobicContact CB-CE 4.41Å; A105-M134 HydrophobicContact CB-SD 4.23Å; V132-M134 HydrophobicContact CG1-CG 4.43Å; M134-M136 HydrophobicContact CB-CE 3.37Å; M134-M136 HydrophobicContact CE-CE 4.47Å; M134-M136 HydrophobicContact CG-CE 4.43Å; M134-M136 PolarHBondContact O-N 2.91Å; M134-M136 HydrophobicContact SD-CE 4.33Å; M134-L139 HydrophobicContact CB-CD1 3.87Å; M134-L139 HydrophobicContact CG-CD1 4.43Å
135	D	89.3	Confident	89.4	Confident	13 Å²	13	38.9 Å²	38.9	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	102.3	171.5	-175.5	-20	0	0	0	110.2	L75 S137 D138 L139 K178	L75-D135 HydrophobicContact CD2-CB 3.46Å; L75-D135 VanDerWaalsContact CD2-CB 3.46Å; D135-S137 PolarHBondContact O-N 2.76Å; D135-S137 WeakPolarHBondContact OD1-CA 3.48Å; D135-S137 WeakPolarHBondContact OD1-CB 3.11Å; D135-S137 PolarHBondContact OD1-N 2.78Å; D135-D138 HydrophobicContact CB-CB 3.86Å; D135-D138 VanDerWaalsContact CG-CB 3.45Å; D135-D138 PolarHBondContact O-N 2.76Å; D135-D138 PolarHBondContact OD1-N 2.8Å; D135-L139 VanDerWaalsContact O-CB 3.25Å; D135-L139 WeakPolarHBondContact O-CB 2.74Å; D135-L139 VanDerWaalsContact O-CG 3.26Å; D135-L139 WeakPolarHBondContact O-CG 3.1Å; D135-L139 PolarHBondContact O-N 2.81Å; D135-K178 IonicContact OD1-NZ 3.83Å; D135-K178 WeakPolarHBondContact OD2-CE 3.32Å; D135-K178 IonicContact OD2-NZ 3.97Å; D135-K178 PolarHBondContact OD2-NZ 2.65Å
136	M	90.2	Very high	89.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-29.9	179	-56.6	-69.3	88.8	0	0	111.9	P74 I76 V91 V93 L103 M134 L139 T140 F148 L151	P74-M136 WeakPolarHBondContact O-CB 3.37Å; P74-M136 WeakPolarHBondContact O-CG 3.31Å; P74-M136 PolarHBondContact O-N 3.34Å; I76-M136 HydrophobicContact CB-CG 4.49Å; I76-M136 HydrophobicContact CG2-CE 3.52Å; I76-M136 HydrophobicContact CG2-CG 3.76Å; I76-M136 HydrophobicContact CG2-SD 3.69Å; V91-M136 HydrophobicContact CB-SD 4.05Å; V91-M136 HydrophobicContact CG1-SD 3.75Å; V91-M136 HydrophobicContact CG2-SD 4.3Å; V93-M136 HydrophobicContact CG1-CB 4.46Å; V93-M136 HydrophobicContact CG1-SD 4.28Å; L103-M136 HydrophobicContact CD1-CE 4.01Å; L103-M136 HydrophobicContact CD1-SD 3.84Å; M134-M136 HydrophobicContact CB-CE 3.37Å; M134-M136 HydrophobicContact CE-CE 4.47Å; M134-M136 HydrophobicContact CG-CE 4.43Å; M134-M136 PolarHBondContact O-N 2.91Å; M134-M136 HydrophobicContact SD-CE 4.33Å; M136-L139 HydrophobicContact CE-CD1 3.57Å; M136-T140 WeakPolarHBondContact O-CB 3.33Å; M136-T140 PolarHBondContact O-N 3.11Å; M136-T140 PolarHBondContact O-OG1 3.45Å; M136-F148 HydrophobicContact CB-CD2 3.98Å; M136-F148 HydrophobicContact CB-CE2 3.91Å; M136-F148 HydrophobicContact CB-CZ 4.37Å; M136-L151 HydrophobicContact CB-CD2 4.36Å; M136-L151 HydrophobicContact CG-CD2 3.72Å; M136-L151 HydrophobicContact SD-CD2 4.1Å
137	S	89.6	Confident	90.1	Very high	30 Å²	30	47.7 Å²	47.7	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-48.4	177.5	-169.8	0	0	0	0	111.5	D135 K141	D135-S137 PolarHBondContact O-N 2.76Å; D135-S137 WeakPolarHBondContact OD1-CA 3.48Å; D135-S137 WeakPolarHBondContact OD1-CB 3.11Å; D135-S137 PolarHBondContact OD1-N 2.78Å; S137-K141 WeakPolarHBondContact O-CB 3.2Å; S137-K141 PolarHBondContact O-N 3.11Å
138	D	91.8	Very high	90.4	Very high	39 Å²	39	39.8 Å²	39.8	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-71.3	-42.6	179.9	178.4	53.6	0	0	0	112.2	D135 K141 R142	D135-D138 HydrophobicContact CB-CB 3.86Å; D135-D138 VanDerWaalsContact CG-CB 3.45Å; D135-D138 PolarHBondContact O-N 2.76Å; D135-D138 PolarHBondContact OD1-N 2.8Å; D138-K141 PolarHBondContact O-N 3Å; D138-R142 VanDerWaalsContact CG-CZ 3.46Å; D138-R142 PolarHBondContact O-N 3.11Å; D138-R142 IonicContact OD1-CZ 2.86Å; D138-R142 IonicContact OD1-NH1 3.82Å; D138-R142 PolarHBondContact OD1-NH1 2.86Å; D138-R142 VanDerWaalsContact OD1-NH1 3.1Å; D138-R142 IonicContact OD2-CZ 2.72Å; D138-R142 IonicContact OD2-NE 3.46Å; D138-R142 IonicContact OD2-NH1 2.68Å; D138-R142 PolarHBondContact OD2-NH1 2.97Å; D138-R142 IonicContact OD2-NH2 3.57Å; D138-R142 PolarHBondContact OD2-NH2 2.72Å
139	L	91.8	Very high	90.7	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-43.1	174.5	-73.5	169.4	0	0	0	112.1	L103 M121 M134 D135 M136 K141 R142 A143	L103-L139 HydrophobicContact CD1-CB 3.82Å; L103-L139 HydrophobicContact CD2-CB 4.23Å; M121-L139 HydrophobicContact CE-CD1 4.29Å; M121-L139 HydrophobicContact CE-CD2 3.98Å; M121-L139 HydrophobicContact SD-CD1 4.23Å; M121-L139 HydrophobicContact SD-CD2 3.9Å; M134-L139 HydrophobicContact CB-CD1 3.87Å; M134-L139 HydrophobicContact CG-CD1 4.43Å; D135-L139 VanDerWaalsContact O-CB 3.25Å; D135-L139 WeakPolarHBondContact O-CB 2.74Å; D135-L139 VanDerWaalsContact O-CG 3.26Å; D135-L139 WeakPolarHBondContact O-CG 3.1Å; D135-L139 PolarHBondContact O-N 2.81Å; M136-L139 HydrophobicContact CE-CD1 3.57Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 2.82Å; L139-R142 PolarHBondContact O-N 3.05Å; L139-A143 WeakPolarHBondContact O-CB 3.27Å; L139-A143 PolarHBondContact O-N 3.21Å
140	T	92.9	Very high	91.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-41.2	176.3	-57.1	0	0	0	0	111	V93 M136 F144 R146	V93-T140 HydrophobicContact CG2-CG2 4.39Å; M136-T140 WeakPolarHBondContact O-CB 3.33Å; M136-T140 PolarHBondContact O-N 3.11Å; M136-T140 PolarHBondContact O-OG1 3.45Å; T140-F144 HydrophobicContact CG2-CD2 4.12Å; T140-F144 PolarHBondContact O-N 3.28Å; T140-R146 CarbonylContact C-O 3.09Å; T140-R146 HydrophobicContact CG2-CB 4.39Å
141	K	94.9	Very high	91.3	Very high	123 Å²	123	41.3 Å²	41.3	54%	0.535	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-48.5	177.6	-172.7	-177.6	177.6	-171.7	0	111.7	S137 D138 L139 G145 R146	S137-K141 WeakPolarHBondContact O-CB 3.2Å; S137-K141 PolarHBondContact O-N 3.11Å; D138-K141 PolarHBondContact O-N 3Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 2.82Å; K141-G145 WeakPolarHBondContact O-CA 3.32Å; K141-G145 PolarHBondContact O-N 3.18Å; K141-R146 WeakPolarHBondContact CA-O 3.34Å; K141-R146 PolarHBondContact N-O 3.04Å
142	R	91.2	Very high	91.7	Very high	93 Å²	93	38.9 Å²	38.9	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-69.2	-41.5	179.2	-72.8	-165	-66.4	-109.4	-4	113	D138 L139	D138-R142 VanDerWaalsContact CG-CZ 3.46Å; D138-R142 PolarHBondContact O-N 3.11Å; D138-R142 IonicContact OD1-CZ 2.86Å; D138-R142 IonicContact OD1-NH1 3.82Å; D138-R142 PolarHBondContact OD1-NH1 2.86Å; D138-R142 VanDerWaalsContact OD1-NH1 3.1Å; D138-R142 IonicContact OD2-CZ 2.72Å; D138-R142 IonicContact OD2-NE 3.46Å; D138-R142 IonicContact OD2-NH1 2.68Å; D138-R142 PolarHBondContact OD2-NH1 2.97Å; D138-R142 IonicContact OD2-NH2 3.57Å; D138-R142 PolarHBondContact OD2-NH2 2.72Å; L139-R142 PolarHBondContact O-N 3.05Å
143	A	93.6	Very high	92.1	Very high	9 Å²	9	39.7 Å²	39.7	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-80.1	-25.6	-174.1	0	0	0	0	0	113.8	L103 Q114 C119 L139	L103-A143 HydrophobicContact CD2-CB 4.12Å; Q114-A143 VanDerWaalsContact CG-O 3.26Å; Q114-A143 WeakPolarHBondContact CG-O 3.48Å; Q114-A143 PolarHBondContact NE2-O 3.01Å; C119-A143 HydrophobicContact CB-CB 3.62Å; L139-A143 WeakPolarHBondContact O-CB 3.27Å; L139-A143 PolarHBondContact O-N 3.21Å
144	F	94.4	Very high	92.3	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-132.7	-6.4	-174.6	-51.6	-70.6	0	0	0	113.5	H101 L103 S115 C119 T140 R146	H101-F144 HydrophobicContact CB-CD1 4.45Å; H101-F144 HydrophobicContact CB-CD2 3.82Å; H101-F144 HydrophobicContact CB-CE1 4.11Å; H101-F144 HydrophobicContact CB-CE2 3.43Å; H101-F144 VanDerWaalsContact CB-CE2 3.43Å; H101-F144 HydrophobicContact CB-CG 4.34Å; H101-F144 HydrophobicContact CB-CZ 3.6Å; H101-F144 AromaticContact CE1-CG 3.98Å; H101-F144 AromaticContact CG-CD2 3.74Å; H101-F144 AromaticContact CG-CE2 3.86Å; H101-F144 AromaticContact CG-CG 3.84Å; H101-F144 AromaticContact ND1-CD1 3.51Å; H101-F144 AromaticContact ND1-CE1 3.77Å; H101-F144 AromaticContact ND1-CG 3.67Å; L103-F144 HydrophobicContact CD2-CE2 3.72Å; L103-F144 HydrophobicContact CD2-CZ 4.27Å; L103-F144 HydrophobicContact CG-CE2 4.35Å; S115-F144 WeakPolarHBondContact O-CE1 3.08Å; C119-F144 HydrophobicContact CB-CE1 4.23Å; C119-F144 HydrophobicContact CB-CE2 4.34Å; C119-F144 HydrophobicContact CB-CZ 3.67Å; T140-F144 HydrophobicContact CG2-CD2 4.12Å; T140-F144 PolarHBondContact O-N 3.28Å; F144-R146 HydrophobicContact CB-CB 4.35Å; F144-R146 HydrophobicContact CB-CG 4.14Å; F144-R146 WeakPolarHBondContact O-CG 3.36Å; F144-R146 PolarHBondContact O-N 3.01Å
145	G	93.9	Very high	92.5	Very high	61 Å²	61	37.8 Å²	37.8	63%	0.629	19%	0.192	S	C	*	.	S	Bend	trans	68.3	18.6	-173.5	0	0	0	0	0	112.8	K141	K141-G145 WeakPolarHBondContact O-CA 3.32Å; K141-G145 PolarHBondContact O-N 3.18Å
146	R	94.3	Very high	92.3	Very high	100 Å²	100	37.3 Å²	37.3	38%	0.377	19%	0.189	S	C	.	.			trans	-118.4	151.9	-173.1	-60.3	-64.2	-174.1	-163	-2.6	111.5	D95 T140 K141 F144	D95-R146 HydrophobicContact CB-CB 3.68Å; D95-R146 HydrophobicContact CB-CG 4.29Å; D95-R146 WeakPolarHBondContact OD2-CB 3.3Å; D95-R146 VanDerWaalsContact OD2-CD 3.25Å; D95-R146 WeakPolarHBondContact OD2-CD 3.48Å; D95-R146 WeakPolarHBondContact OD2-CG 3.19Å; D95-R146 IonicContact OD2-NE 2.85Å; T140-R146 CarbonylContact C-O 3.09Å; T140-R146 HydrophobicContact CG2-CB 4.39Å; K141-R146 WeakPolarHBondContact CA-O 3.34Å; K141-R146 PolarHBondContact N-O 3.04Å; F144-R146 HydrophobicContact CB-CB 4.35Å; F144-R146 HydrophobicContact CB-CG 4.14Å; F144-R146 WeakPolarHBondContact O-CG 3.36Å; F144-R146 PolarHBondContact O-N 3.01Å
147	K	95.8	Very high	91.9	Very high	146 Å²	146	39.6 Å²	39.6	64%	0.635	20%	0.198	S	C	*	.			trans	-83.4	130	174.5	-175.5	177.1	176.4	-175.5	0	109.2	D95 V96	D95-K147 CarbonylContact C-O 3.54Å; D95-K147 VanDerWaalsContact CA-O 3.28Å; D95-K147 WeakPolarHBondContact CA-O 3.39Å; D95-K147 WeakPolarHBondContact CB-O 3.3Å; V96-K147 HydrophobicContact CG1-CB 3.85Å; V96-K147 HydrophobicContact CG1-CD 4.06Å; V96-K147 HydrophobicContact CG1-CG 3.96Å; V96-K147 HydrophobicContact CG2-CB 4.01Å; V96-K147 PolarHBondContact N-O 2.81Å
148	F	92.7	Very high	91	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.6	172.2	170.5	-100.9	0	0	0	112	P74 V93 M136 E150 L151	P74-F148 HydrophobicContact CB-CD1 4.44Å; P74-F148 HydrophobicContact CB-CE1 4.38Å; V93-F148 HydrophobicContact CB-CD2 4.06Å; V93-F148 HydrophobicContact CB-CE2 4.08Å; V93-F148 HydrophobicContact CG1-CD2 4.17Å; V93-F148 HydrophobicContact CG1-CE2 3.94Å; M136-F148 HydrophobicContact CB-CD2 3.98Å; M136-F148 HydrophobicContact CB-CE2 3.91Å; M136-F148 HydrophobicContact CB-CZ 4.37Å; F148-E150 VanDerWaalsContact CE2-C 3.42Å; F148-L151 HydrophobicContact CE2-CD2 3.95Å; F148-L151 HydrophobicContact CE2-CG 4.25Å; F148-L151 HydrophobicContact CZ-CD2 4.23Å; F148-L151 HydrophobicContact CZ-CG 4.07Å
149	S	94.4	Very high	89.5	Confident	47 Å²	47	39.4 Å²	39.4	33%	0.329	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-64.2	175.9	-179.7	0	0	0	0	111.4	T94 D95	T94-S149 WeakPolarHBondContact O-CB 3.37Å; T94-S149 PolarHBondContact O-N 3.19Å; D95-S149 VanDerWaalsContact C-CB 3.48Å; D95-S149 VanDerWaalsContact O-CB 3.29Å; D95-S149 WeakPolarHBondContact O-CB 3.46Å
150	E	92.5	Very high	87.6	Confident	19 Å²	19	42.1 Å²	42.1	9%	0.089	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.5	179.4	57.7	-178.7	-145.1	0	0	112.2	R3 I71 K72 T94 F148	R3-E150 IonicContact CZ-OE1 2.79Å; R3-E150 IonicContact CZ-OE2 3.44Å; R3-E150 IonicContact NH1-OE1 2.78Å; R3-E150 IonicContact NH1-OE2 3.51Å; R3-E150 PolarHBondContact NH1-OE2 3.47Å; R3-E150 IonicContact NH2-OE1 3.63Å; R3-E150 PolarHBondContact NH2-OE1 3.31Å; R3-E150 IonicContact NH2-OE2 3.6Å; I71-E150 CarbonylContact O-C 3.43Å; I71-E150 VanDerWaalsContact O-CA 3.25Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.47Å; K72-E150 HydrophobicContact CG-CB 4.38Å; T94-E150 PolarHBondContact N-O 2.84Å; T94-E150 PolarHBondContact O-N 3.45Å; T94-E150 WeakPolarHBondContact OG1-CG 3.31Å; T94-E150 PolarHBondContact OG1-O 3.24Å; F148-E150 VanDerWaalsContact CE2-C 3.42Å
151	L	92.1	Very high	86	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.5	163.8	-69.2	-172.1	0	0	0	110.1	L69 A70 I71 I76 V91 V93 M136 F148 L175	L69-L151 HydrophobicContact CD1-CB 4.43Å; A70-L151 PolarHBondContact N-O 2.87Å; I71-L151 HydrophobicContact CB-CB 4.25Å; I71-L151 PolarHBondContact N-O 2.87Å; I71-L151 PolarHBondContact O-N 2.76Å; I76-L151 HydrophobicContact CD1-CD1 4.41Å; V91-L151 HydrophobicContact CG1-CD2 3.41Å; V91-L151 VanDerWaalsContact CG1-CD2 3.41Å; V93-L151 HydrophobicContact CG1-CD2 3.69Å; M136-L151 HydrophobicContact CB-CD2 4.36Å; M136-L151 HydrophobicContact CG-CD2 3.72Å; M136-L151 HydrophobicContact SD-CD2 4.1Å; F148-L151 HydrophobicContact CE2-CD2 3.95Å; F148-L151 HydrophobicContact CE2-CG 4.25Å; F148-L151 HydrophobicContact CZ-CD2 4.23Å; F148-L151 HydrophobicContact CZ-CG 4.07Å; L151-L175 HydrophobicContact CD1-CD2 3.31Å; L151-L175 HydrophobicContact CG-CD2 4.15Å
152	V	93.2	Very high	83.9	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-47.7	-178.4	-179.2	0	0	0	0	111.1	V68 L69 E92 T94	V68-V152 HydrophobicContact CB-CG1 4.01Å; V68-V152 HydrophobicContact CG1-CG1 3.63Å; L69-V152 WeakPolarHBondContact CG-O 3.48Å; L69-V152 PolarHBondContact N-O 2.95Å; E92-V152 HydrophobicContact CB-CB 4.08Å; E92-V152 HydrophobicContact CG-CB 3.96Å; E92-V152 HydrophobicContact CG-CG1 4.2Å; E92-V152 HydrophobicContact CG-CG2 4.49Å; E92-V152 WeakPolarHBondContact O-CB 3.36Å; E92-V152 PolarHBondContact O-N 2.88Å; E92-V152 WeakPolarHBondContact OE2-CG1 3.29Å; T94-V152 HydrophobicContact CG2-CG2 3.49Å; T94-V152 VanDerWaalsContact CG2-CG2 3.49Å
153	R	92.7	Very high	82.4	Confident	18 Å²	18	33.1 Å²	33.1	7%	0.068	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.9	-172.1	-175.4	175.6	-65.3	-77.1	-12.3	110.7	T60 F61 P62 N64 R65 E67 V91 E92 W102 Q155	T60-R153 HydrophobicContact CG2-CG 3.97Å; T60-R153 VanDerWaalsContact CG2-NH1 3.29Å; F61-R153 CarbonylContact O-C 3.35Å; F61-R153 WeakPolarHBondContact O-CA 3.44Å; F61-R153 WeakPolarHBondContact O-CG 3.46Å; P62-R153 PolarHBondContact O-NH1 2.59Å; N64-R153 PolarHBondContact O-NH2 2.5Å; R65-R153 PolarHBondContact O-NH2 3Å; E67-R153 PolarHBondContact O-NH2 2.85Å; V91-R153 WeakPolarHBondContact CA-O 3.24Å; E92-R153 HydrophobicContact CB-CB 3.88Å; E92-R153 PolarHBondContact N-O 2.74Å; E92-R153 PolarHBondContact O-N 2.86Å; E92-R153 IonicContact OE2-NE 3.31Å; W102-R153 HydrophobicContact CH2-CG 4.37Å; R153-Q155 HydrophobicContact CG-CG 4.29Å
154	I	91.3	Very high	80.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.4	169.2	-67.6	135.4	0	0	0	107.8	L13 W25 T60 F61 L69 I76 F78 V91 V156 I173	L13-I154 HydrophobicContact CD1-CD1 3.5Å; L13-I154 VanDerWaalsContact CD1-CD1 3.5Å; W25-I154 HydrophobicContact CH2-CG2 4.1Å; W25-I154 HydrophobicContact CZ3-CG2 4.37Å; T60-I154 CarbonylContact C-O 3.5Å; T60-I154 WeakPolarHBondContact CA-O 3.42Å; F61-I154 PolarHBondContact N-O 2.98Å; F61-I154 PolarHBondContact O-N 2.97Å; L69-I154 HydrophobicContact CD1-CD1 3.6Å; L69-I154 HydrophobicContact CD1-CG1 4.27Å; I76-I154 HydrophobicContact CD1-CD1 3.96Å; I76-I154 HydrophobicContact CD1-CG1 3.89Å; F78-I154 HydrophobicContact CE1-CG2 4.11Å; F78-I154 HydrophobicContact CZ-CG2 4.14Å; V91-I154 HydrophobicContact CG1-CG1 4.32Å; V91-I154 HydrophobicContact CG2-CG1 4.38Å; I154-V156 HydrophobicContact CG2-CG2 3.98Å; I154-I173 HydrophobicContact CD1-CD1 3.39Å; I154-I173 HydrophobicContact CD1-CG2 4.27Å; I154-I173 HydrophobicContact CG1-CD1 4.12Å; I154-I173 HydrophobicContact CG2-CD1 4.11Å
155	Q	89	Confident	77.6	Confident	30 Å²	30	32.1 Å²	32.1	14%	0.14	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140	169.6	-57.3	-172.5	-15.1	0	0	108.7	I59 T60 E90 W102 R153	I59-Q155 WeakPolarHBondContact O-CA 3.31Å; T60-Q155 HydrophobicContact CG2-CG 3.89Å; E90-Q155 HydrophobicContact CB-CB 4.19Å; E90-Q155 PolarHBondContact N-O 2.87Å; E90-Q155 PolarHBondContact O-N 3.16Å; E90-Q155 VanDerWaalsContact O-O 3.07Å; W102-Q155 HydrophobicContact CH2-CG 3.96Å; W102-Q155 HydrophobicContact CZ3-CG 4.12Å; R153-Q155 HydrophobicContact CG-CG 4.29Å
156	V	85.6	Confident	74.4	Confident	3 Å²	3	32.2 Å²	32.2	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.3	173.1	-147.9	0	0	0	0	111.7	W25 C58 I59 F78 F87 T88 F89 I154 Y158	W25-V156 HydrophobicContact CZ3-CG2 4.48Å; C58-V156 CarbonylContact C-O 3.19Å; C58-V156 WeakPolarHBondContact CA-O 3.28Å; C58-V156 WeakPolarHBondContact CB-O 3.31Å; I59-V156 HydrophobicContact CG1-CB 4.12Å; I59-V156 HydrophobicContact CG1-CG2 4.34Å; I59-V156 PolarHBondContact N-O 3.01Å; I59-V156 PolarHBondContact O-N 3.48Å; F78-V156 HydrophobicContact CE1-CG2 4.37Å; F87-V156 HydrophobicContact CE2-CG1 3.57Å; F87-V156 HydrophobicContact CZ-CG1 3.98Å; T88-V156 WeakPolarHBondContact O-CG1 3.21Å; F89-V156 HydrophobicContact CD1-CB 4.25Å; F89-V156 HydrophobicContact CD1-CG1 3.28Å; F89-V156 HydrophobicContact CD1-CG2 3.94Å; F89-V156 HydrophobicContact CE1-CG1 3.5Å; F89-V156 HydrophobicContact CE1-CG2 4.17Å; F89-V156 HydrophobicContact CG-CG1 4.23Å; I154-V156 HydrophobicContact CG2-CG2 3.98Å; V156-Y158 VanDerWaalsContact C-CE2 3.47Å; V156-Y158 HydrophobicContact CB-CE1 4.3Å; V156-Y158 HydrophobicContact CB-CE2 3.48Å; V156-Y158 VanDerWaalsContact CB-CE2 3.48Å; V156-Y158 WeakPolarHBondContact CB-OH 3.01Å; V156-Y158 HydrophobicContact CG1-CD1 4.46Å; V156-Y158 HydrophobicContact CG1-CD2 4.45Å; V156-Y158 HydrophobicContact CG1-CE1 3.45Å; V156-Y158 VanDerWaalsContact CG1-CE1 3.45Å; V156-Y158 HydrophobicContact CG1-CE2 3.55Å; V156-Y158 WeakPolarHBondContact CG1-OH 3.35Å; V156-Y158 WeakPolarHBondContact O-CE2 3.07Å
157	R	81.8	Confident	71.2	Confident	48 Å²	48	32 Å²	32	18%	0.181	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.6	-168.2	-69.1	-170.8	-169.9	-76.5	-9.5	109.8	V54 C58 F87 T88 E90	V54-R157 HydrophobicContact CG2-CB 4Å; V54-R157 WeakPolarHBondContact O-CB 3.2Å; C58-R157 HydrophobicContact CB-CG 3.77Å; F87-R157 WeakPolarHBondContact CD2-O 3.39Å; T88-R157 PolarHBondContact N-O 2.89Å; T88-R157 PolarHBondContact O-N 2.84Å; E90-R157 VanDerWaalsContact OE1-CD 3.29Å; E90-R157 WeakPolarHBondContact OE1-CD 3.04Å; E90-R157 IonicContact OE1-CZ 2.86Å; E90-R157 IonicContact OE1-NE 3.66Å; E90-R157 PolarHBondContact OE1-NE 2.8Å
158	Y	71.4	Confident	67.9	Low	4 Å²	4	32.9 Å²	32.9	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	148.9	-166.5	-51.2	-84.9	0	0	0	112.9	V49 S51 I59 F87 V156 M161 I163	V49-Y158 HydrophobicContact CB-CD2 3.55Å; V49-Y158 HydrophobicContact CB-CE2 4.03Å; V49-Y158 HydrophobicContact CB-CG 3.95Å; V49-Y158 HydrophobicContact CG1-CD2 3.45Å; V49-Y158 VanDerWaalsContact CG1-CD2 3.45Å; V49-Y158 HydrophobicContact CG1-CE2 4.21Å; V49-Y158 HydrophobicContact CG1-CG 4.05Å; V49-Y158 HydrophobicContact CG2-CD2 3.99Å; V49-Y158 HydrophobicContact CG2-CE2 3.94Å; S51-Y158 WeakPolarHBondContact CB-O 3.21Å; I59-Y158 HydrophobicContact CD1-CE2 4.4Å; I59-Y158 HydrophobicContact CG1-CE2 4.26Å; F87-Y158 AromaticContact CD2-CD1 3.18Å; F87-Y158 HydrophobicContact CD2-CD1 3.18Å; F87-Y158 AromaticContact CD2-CE1 3.33Å; F87-Y158 HydrophobicContact CD2-CE1 3.33Å; F87-Y158 HydrophobicContact CD2-CG 4.27Å; F87-Y158 AromaticContact CE2-CD1 3.4Å; F87-Y158 HydrophobicContact CE2-CD1 3.4Å; F87-Y158 VanDerWaalsContact CE2-CD1 3.4Å; F87-Y158 AromaticContact CE2-CE1 3Å; F87-Y158 HydrophobicContact CE2-CE1 3Å; F87-Y158 AromaticContact CE2-CZ 3.99Å; F87-Y158 HydrophobicContact CG-CD1 4.37Å; F87-Y158 AromaticContact CZ-CE1 3.99Å; F87-Y158 HydrophobicContact CZ-CE1 3.99Å; V156-Y158 VanDerWaalsContact C-CE2 3.47Å; V156-Y158 HydrophobicContact CB-CE1 4.3Å; V156-Y158 HydrophobicContact CB-CE2 3.48Å; V156-Y158 VanDerWaalsContact CB-CE2 3.48Å; V156-Y158 WeakPolarHBondContact CB-OH 3.01Å; V156-Y158 HydrophobicContact CG1-CD1 4.46Å; V156-Y158 HydrophobicContact CG1-CD2 4.45Å; V156-Y158 HydrophobicContact CG1-CE1 3.45Å; V156-Y158 VanDerWaalsContact CG1-CE1 3.45Å; V156-Y158 HydrophobicContact CG1-CE2 3.55Å; V156-Y158 WeakPolarHBondContact CG1-OH 3.35Å; V156-Y158 WeakPolarHBondContact O-CE2 3.07Å; Y158-M161 HydrophobicContact CD1-CB 3.46Å; Y158-M161 VanDerWaalsContact CD1-CB 3.46Å; Y158-M161 HydrophobicContact CD1-CE 3.82Å; Y158-M161 HydrophobicContact CD1-CG 4.11Å; Y158-M161 HydrophobicContact CD1-SD 3.6Å; Y158-M161 VanDerWaalsContact CD1-SD 3.6Å; Y158-M161 HydrophobicContact CE1-CB 3.92Å; Y158-M161 HydrophobicContact CE1-CE 3Å; Y158-M161 HydrophobicContact CE1-CG 4.17Å; Y158-M161 HydrophobicContact CE1-SD 3.18Å; Y158-M161 WeakPolarHBondContact CE1-SD 3.39Å; Y158-M161 HydrophobicContact CG-CB 4.18Å; Y158-M161 VanDerWaalsContact CZ-CE 3.4Å; Y158-M161 VanDerWaalsContact OH-CE 3.23Å; Y158-M161 WeakPolarHBondContact OH-CE 3.48Å; Y158-I163 WeakPolarHBondContact OH-CD1 2.95Å
159	K	60	Low	64.7	Low	62 Å²	62	35.5 Å²	35.5	27%	0.27	19%	0.189	S	C	.	.	S	Bend	trans	-96.7	-40.2	159.7	-167.1	178.6	166.5	-147.4	0	111.7	I50 S51 E85 D86	I50-K159 CarbonylContact C-O 3.52Å; I50-K159 WeakPolarHBondContact CA-O 2.98Å; S51-K159 PolarHBondContact N-O 2.83Å; S51-K159 CarbonylContact O-C 3.42Å; S51-K159 WeakPolarHBondContact O-CA 3.19Å; S51-K159 WeakPolarHBondContact O-CG 3.29Å; E85-K159 HydrophobicContact CB-CB 4.3Å; E85-K159 IonicContact OE1-NZ 3.62Å; E85-K159 WeakPolarHBondContact OE2-CD 3.18Å; E85-K159 WeakPolarHBondContact OE2-CE 3.47Å; E85-K159 IonicContact OE2-NZ 3.27Å; E85-K159 PolarHBondContact OE2-NZ 3.37Å; D86-K159 HydrophobicContact CB-CB 4.17Å; D86-K159 HydrophobicContact CB-CD 4.33Å; D86-K159 WeakPolarHBondContact O-CB 3.04Å; D86-K159 PolarHBondContact O-N 3.49Å
160	F	51.9	Low	61.4	Low	76 Å²	76	34 Å²	34	33%	0.333	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	119.1	172.9	-157.1	-106.5	0	0	0	109.2	V49 I50 L83 E85	V49-F160 CarbonylContact O-C 3.56Å; V49-F160 WeakPolarHBondContact O-CA 3.14Å; I50-F160 HydrophobicContact CB-CD2 4.16Å; I50-F160 HydrophobicContact CB-CE2 4.48Å; I50-F160 HydrophobicContact CD1-CD2 3.95Å; I50-F160 HydrophobicContact CD1-CE2 3.41Å; I50-F160 VanDerWaalsContact CD1-CE2 3.41Å; I50-F160 HydrophobicContact CD1-CZ 4.26Å; I50-F160 HydrophobicContact CG1-CD2 3.55Å; I50-F160 HydrophobicContact CG1-CE2 3.56Å; I50-F160 HydrophobicContact CG2-CD2 3.84Å; I50-F160 HydrophobicContact CG2-CE2 4.23Å; L83-F160 HydrophobicContact CB-CD1 3.59Å; L83-F160 HydrophobicContact CB-CE1 4.34Å; L83-F160 HydrophobicContact CD1-CD1 3.11Å; L83-F160 HydrophobicContact CD1-CE1 3.45Å; L83-F160 VanDerWaalsContact CD1-CE1 3.45Å; L83-F160 HydrophobicContact CD1-CG 4.06Å; L83-F160 HydrophobicContact CG-CD1 3.86Å; L83-F160 HydrophobicContact CG-CE1 4.31Å; E85-F160 HydrophobicContact CB-CB 3.78Å; E85-F160 HydrophobicContact CG-CB 3.7Å
161	M	58.3	Low	58.6	Low	4 Å²	4	33.3 Å²	33.3	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	148.4	177.4	-154.5	-176	75.8	0	0	113.3	E48 V49 V80 K81 L83 F87 Y158 I163	E48-M161 CarbonylContact C-O 3.42Å; E48-M161 WeakPolarHBondContact CA-O 3.14Å; V49-M161 PolarHBondContact N-O 2.96Å; V49-M161 PolarHBondContact O-N 2.95Å; V80-M161 HydrophobicContact CB-CE 3.87Å; V80-M161 HydrophobicContact CB-CG 4.49Å; V80-M161 HydrophobicContact CB-SD 3.52Å; V80-M161 VanDerWaalsContact CB-SD 3.52Å; V80-M161 HydrophobicContact CG1-CE 3.34Å; V80-M161 HydrophobicContact CG1-SD 3.54Å; V80-M161 VanDerWaalsContact CG1-SD 3.54Å; V80-M161 HydrophobicContact CG2-SD 4.46Å; K81-M161 VanDerWaalsContact O-CG 3.23Å; K81-M161 WeakPolarHBondContact O-CG 3.44Å; L83-M161 VanDerWaalsContact CD1-CA 3.47Å; F87-M161 HydrophobicContact CD2-SD 3.97Å; F87-M161 HydrophobicContact CE2-SD 4.01Å; F87-M161 HydrophobicContact CG-SD 4.38Å; F87-M161 HydrophobicContact CZ-SD 4.28Å; Y158-M161 HydrophobicContact CD1-CB 3.46Å; Y158-M161 VanDerWaalsContact CD1-CB 3.46Å; Y158-M161 HydrophobicContact CD1-CE 3.82Å; Y158-M161 HydrophobicContact CD1-CG 4.11Å; Y158-M161 HydrophobicContact CD1-SD 3.6Å; Y158-M161 VanDerWaalsContact CD1-SD 3.6Å; Y158-M161 HydrophobicContact CE1-CB 3.92Å; Y158-M161 HydrophobicContact CE1-CE 3Å; Y158-M161 HydrophobicContact CE1-CG 4.17Å; Y158-M161 HydrophobicContact CE1-SD 3.18Å; Y158-M161 WeakPolarHBondContact CE1-SD 3.39Å; Y158-M161 HydrophobicContact CG-CB 4.18Å; Y158-M161 VanDerWaalsContact CZ-CE 3.4Å; Y158-M161 VanDerWaalsContact OH-CE 3.23Å; Y158-M161 WeakPolarHBondContact OH-CE 3.48Å; M161-I163 HydrophobicContact CE-CB 4.35Å; M161-I163 HydrophobicContact CE-CD1 3.9Å; M161-I163 HydrophobicContact CE-CG1 3.11Å
162	Q	52.6	Low	56	Low	22 Å²	22	34.7 Å²	34.7	10%	0.103	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.1	167.8	-68.3	170.7	-3.3	0	0	109.9	I37 D39 V46 E48 K81 L83 W129	I37-Q162 HydrophobicContact CD1-CG 4.12Å; I37-Q162 VanDerWaalsContact CD1-NE2 3.26Å; D39-Q162 PolarHBondContact OD2-OE1 2.86Å; V46-Q162 HydrophobicContact CB-CB 4.26Å; V46-Q162 HydrophobicContact CG2-CB 3.85Å; V46-Q162 HydrophobicContact CG2-CG 3.93Å; E48-Q162 HydrophobicContact CB-CG 4.21Å; E48-Q162 HydrophobicContact CG-CG 4.01Å; E48-Q162 PolarHBondContact OE2-NE2 2.99Å; K81-Q162 HydrophobicContact CB-CB 4.06Å; K81-Q162 PolarHBondContact N-O 3.35Å; L83-Q162 HydrophobicContact CD1-CG 4.19Å; W129-Q162 HydrophobicContact CH2-CB 3.92Å; W129-Q162 WeakPolarHBondContact CH2-O 3.39Å; W129-Q162 HydrophobicContact CZ2-CB 4.33Å; W129-Q162 VanDerWaalsContact CZ3-O 3.3Å; W129-Q162 WeakPolarHBondContact CZ3-O 3.39Å
163	I	58	Low	53.4	Low	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118	177.5	-58.5	167.1	0	0	0	108.3	L14 V46 I47 V49 I59 Y158 M161 V171	L14-I163 HydrophobicContact CD2-CD1 4.2Å; L14-I163 HydrophobicContact CD2-CG2 4.3Å; V46-I163 CarbonylContact C-O 3.58Å; V46-I163 WeakPolarHBondContact CA-O 3.15Å; V46-I163 WeakPolarHBondContact CB-O 3.42Å; I47-I163 HydrophobicContact CB-CB 4.3Å; I47-I163 HydrophobicContact CB-CD1 4.5Å; I47-I163 PolarHBondContact N-O 2.64Å; I47-I163 WeakPolarHBondContact O-CB 3.42Å; I47-I163 PolarHBondContact O-N 2.86Å; V49-I163 HydrophobicContact CG2-CD1 4.48Å; I59-I163 HydrophobicContact CD1-CD1 3.88Å; Y158-I163 WeakPolarHBondContact OH-CD1 2.95Å; M161-I163 HydrophobicContact CE-CB 4.35Å; M161-I163 HydrophobicContact CE-CD1 3.9Å; M161-I163 HydrophobicContact CE-CG1 3.11Å; I163-V171 HydrophobicContact CG2-CB 4.04Å; I163-V171 HydrophobicContact CG2-CG1 3.66Å; I163-V171 HydrophobicContact CG2-CG2 3.19Å
164	A	46.1	Very low	50.4	Low	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.2	179.7	0	0	0	0	0	114.1	I42 V46 L79 W129 V171	I42-A164 HydrophobicContact CD1-CB 3.21Å; I42-A164 HydrophobicContact CG1-CB 4.49Å; V46-A164 HydrophobicContact CG1-CB 3.75Å; L79-A164 HydrophobicContact CD2-CB 3.83Å; L79-A164 HydrophobicContact CG-CB 4.26Å; W129-A164 HydrophobicContact CE3-CB 4.02Å; W129-A164 HydrophobicContact CH2-CB 3.19Å; W129-A164 HydrophobicContact CZ2-CB 3.77Å; W129-A164 HydrophobicContact CZ3-CB 3.32Å; A164-V171 WeakPolarHBondContact O-CG2 3.48Å
165	D	41.9	Very low	47.8	Very low	15 Å²	15	33.9 Å²	33.9	8%	0.08	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-103.3	127.8	154.2	-166.1	-28.5	0	0	0	106.5	S15 S16 V17 S170	S15-D165 WeakPolarHBondContact CB-OD2 3.25Å; S15-D165 PolarHBondContact OG-OD2 2.77Å; S16-D165 WeakPolarHBondContact OG-CB 3.3Å; S16-D165 PolarHBondContact OG-N 2.68Å; S16-D165 VanDerWaalsContact OG-N 3.1Å; V17-D165 HydrophobicContact CG2-CB 4.09Å; D165-S170 VanDerWaalsContact CG-CA 3.42Å; D165-S170 WeakPolarHBondContact OD1-CA 3.07Å; D165-S170 PolarHBondContact OD1-N 3.32Å; D165-S170 WeakPolarHBondContact OD2-CA 3.26Å
166	C	27.4	Very low	44.9	Very low	63 Å²	63	32.7 Å²	32.7	43%	0.426	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-103.3	138.3	168.1	-172.8	0	0	0	0	106.4	L79 E168 F169	L79-C166 HydrophobicContact CD2-CB 4.37Å; C166-E168 PolarHBondContact O-N 3.36Å; C166-F169 HydrophobicContact CB-CB 4.39Å; C166-F169 PolarHBondContact N-O 2.83Å; C166-F169 CarbonylContact O-C 3.31Å; C166-F169 VanDerWaalsContact O-CA 3.31Å; C166-F169 WeakPolarHBondContact O-CA 3.25Å; C166-F169 PolarHBondContact O-N 2.94Å
167	A	26.6	Very low	42.5	Very low	95 Å²	95	35.5 Å²	35.5	79%	0.785	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	2.8	-164.8	0	0	0	0	0	118.3
168	E	26	Very low	40.7	Very low	165 Å²	165	39.4 Å²	39.4	77%	0.771	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	1.2	165.4	-76.5	-175.1	146.5	0	0	113.8	C166	C166-E168 PolarHBondContact O-N 3.36Å
169	F	26.1	Very low	39.2	Very low	70 Å²	70	44.9 Å²	44.9	31%	0.307	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-155.4	91.6	-164.4	-65.1	-89.3	0	0	0	111.1	C166	C166-F169 HydrophobicContact CB-CB 4.39Å; C166-F169 PolarHBondContact N-O 2.83Å; C166-F169 CarbonylContact O-C 3.31Å; C166-F169 VanDerWaalsContact O-CA 3.31Å; C166-F169 WeakPolarHBondContact O-CA 3.25Å; C166-F169 PolarHBondContact O-N 2.94Å
170	S	25.6	Very low	38	Very low	14 Å²	14	47 Å²	47	10%	0.098	26%	0.257	C	S	.	.			trans	-55.9	179.5	170.7	63.6	0	0	0	0	113.9	S12 D165 R172	S12-S170 WeakPolarHBondContact CB-OG 3.36Å; S12-S170 WeakPolarHBondContact OG-CB 3.25Å; S12-S170 PolarHBondContact OG-OG 2.93Å; D165-S170 VanDerWaalsContact CG-CA 3.42Å; D165-S170 WeakPolarHBondContact OD1-CA 3.07Å; D165-S170 PolarHBondContact OD1-N 3.32Å; D165-S170 WeakPolarHBondContact OD2-CA 3.26Å; S170-R172 WeakPolarHBondContact O-CA 3.41Å; S170-R172 WeakPolarHBondContact O-CB 3.43Å; S170-R172 WeakPolarHBondContact O-CG 3.47Å; S170-R172 PolarHBondContact O-N 3.21Å; S170-R172 VanDerWaalsContact OG-CG 3.31Å; S170-R172 WeakPolarHBondContact OG-CG 2.87Å
171	V	34	Very low	37.3	Very low	5 Å²	5	49.5 Å²	49.5	3%	0.03	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-61.1	86.9	157.4	-168.9	0	0	0	0	106.2	L14 I163 A164 I173	L14-V171 HydrophobicContact CB-CB 3.9Å; L14-V171 HydrophobicContact CB-CG1 4.3Å; L14-V171 HydrophobicContact CB-CG2 4.2Å; L14-V171 HydrophobicContact CD2-CB 4.38Å; L14-V171 HydrophobicContact CD2-CG1 4.27Å; L14-V171 HydrophobicContact CD2-CG2 4.16Å; L14-V171 HydrophobicContact CG-CB 4.2Å; L14-V171 HydrophobicContact CG-CG2 3.97Å; L14-V171 WeakPolarHBondContact O-CA 3.35Å; L14-V171 WeakPolarHBondContact O-CB 3.22Å; L14-V171 WeakPolarHBondContact O-CG2 3.46Å; L14-V171 PolarHBondContact O-N 3.49Å; I163-V171 HydrophobicContact CG2-CB 4.04Å; I163-V171 HydrophobicContact CG2-CG1 3.66Å; I163-V171 HydrophobicContact CG2-CG2 3.19Å; A164-V171 WeakPolarHBondContact O-CG2 3.48Å; V171-I173 VanDerWaalsContact C-N 3.33Å; V171-I173 PolarHBondContact O-N 3.26Å
172	R	35.8	Very low	36	Very low	29 Å²	29	55.6 Å²	55.6	11%	0.109	30%	0.297	C	S	.	.			trans	-92.9	90.3	-157.6	-113.7	-154.7	-176.8	-152.5	-2.1	101.6	L10 A77 S170 E174	L10-R172 HydrophobicContact CD1-CB 4.35Å; L10-R172 HydrophobicContact CD1-CG 3.53Å; L10-R172 HydrophobicContact CD2-CG 3.65Å; L10-R172 VanDerWaalsContact CD2-CZ 3.45Å; L10-R172 HydrophobicContact CG-CG 4.03Å; A77-R172 CarbonylContact C-O 3.59Å; A77-R172 WeakPolarHBondContact CA-O 2.97Å; A77-R172 WeakPolarHBondContact CB-O 3.38Å; A77-R172 PolarHBondContact N-O 3.04Å; A77-R172 CarbonylContact O-C 3.56Å; S170-R172 WeakPolarHBondContact O-CA 3.41Å; S170-R172 WeakPolarHBondContact O-CB 3.43Å; S170-R172 WeakPolarHBondContact O-CG 3.47Å; S170-R172 PolarHBondContact O-N 3.21Å; S170-R172 VanDerWaalsContact OG-CG 3.31Å; S170-R172 WeakPolarHBondContact OG-CG 2.87Å; R172-E174 HydrophobicContact CB-CG 3.48Å; R172-E174 VanDerWaalsContact CB-CG 3.48Å; R172-E174 WeakPolarHBondContact CD-OE1 3.47Å; R172-E174 HydrophobicContact CG-CG 3.9Å; R172-E174 IonicContact CZ-OE1 3.1Å; R172-E174 IonicContact NE-OE1 3.17Å; R172-E174 PolarHBondContact NE-OE1 2.79Å; R172-E174 IonicContact NH1-OE1 3.92Å; R172-E174 PolarHBondContact NH1-OE1 2.92Å; R172-E174 IonicContact NH1-OE2 2.59Å; R172-E174 PolarHBondContact NH1-OE2 3.46Å; R172-E174 PolarHBondContact O-N 2.94Å
173	I	39.9	Very low	35.1	Very low	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.332	C	S	.	.			trans	-63.9	76.3	152.9	-69.6	177.3	0	0	0	105.3	I11 L13 I76 A77 F78 I154 V171 L175	I11-I173 VanDerWaalsContact O-O 3.14Å; L13-I173 HydrophobicContact CB-CB 4.45Å; L13-I173 HydrophobicContact CB-CD1 4.18Å; L13-I173 HydrophobicContact CD1-CB 3.83Å; L13-I173 HydrophobicContact CD1-CD1 3.81Å; L13-I173 HydrophobicContact CD1-CG1 4.37Å; L13-I173 HydrophobicContact CD1-CG2 3.48Å; L13-I173 VanDerWaalsContact CD1-CG2 3.48Å; L13-I173 HydrophobicContact CG-CB 3.97Å; L13-I173 HydrophobicContact CG-CD1 4.34Å; L13-I173 HydrophobicContact CG-CG2 4.07Å; I76-I173 HydrophobicContact CB-CG2 4.08Å; I76-I173 HydrophobicContact CD1-CB 4.19Å; I76-I173 HydrophobicContact CD1-CD1 3.89Å; I76-I173 HydrophobicContact CD1-CG1 3.85Å; I76-I173 HydrophobicContact CD1-CG2 3.51Å; I76-I173 HydrophobicContact CG1-CB 3.9Å; I76-I173 HydrophobicContact CG1-CD1 4.36Å; I76-I173 HydrophobicContact CG1-CG1 3.76Å; I76-I173 HydrophobicContact CG1-CG2 3.41Å; I76-I173 VanDerWaalsContact CG1-CG2 3.41Å; A77-I173 WeakPolarHBondContact O-CA 3.26Å; A77-I173 WeakPolarHBondContact O-CG1 3.48Å; A77-I173 PolarHBondContact O-N 3.19Å; F78-I173 HydrophobicContact CD1-CD1 4.34Å; F78-I173 HydrophobicContact CD1-CG1 4.13Å; F78-I173 HydrophobicContact CE1-CD1 3.61Å; F78-I173 HydrophobicContact CE1-CG1 3.78Å; F78-I173 HydrophobicContact CZ-CD1 4.05Å; F78-I173 HydrophobicContact CZ-CG1 4.15Å; I154-I173 HydrophobicContact CD1-CD1 3.39Å; I154-I173 HydrophobicContact CD1-CG2 4.27Å; I154-I173 HydrophobicContact CG1-CD1 4.12Å; I154-I173 HydrophobicContact CG2-CD1 4.11Å; V171-I173 VanDerWaalsContact C-N 3.33Å; V171-I173 PolarHBondContact O-N 3.26Å; I173-L175 HydrophobicContact CG2-CD1 4.05Å; I173-L175 HydrophobicContact CG2-CD2 4.23Å; I173-L175 HydrophobicContact CG2-CG 4.02Å; I173-L175 WeakPolarHBondContact O-CD1 3.37Å; I173-L175 WeakPolarHBondContact O-CG 3.13Å; I173-L175 PolarHBondContact O-N 3.3Å; I173-L175 VanDerWaalsContact O-N 3.11Å
174	E	30.1	Very low	33.6	Very low	3 Å²	3	67.8 Å²	67.8	1%	0.014	37%	0.365	C	S	.	.			trans	-71.9	105.9	-175.6	-71.4	-142.5	-168.9	0	0	108.3	L10 L75 I76 A77 Y131 R172	L10-E174 HydrophobicContact CD1-CB 4.17Å; L10-E174 HydrophobicContact CD1-CG 3.71Å; L75-E174 CarbonylContact C-O 3.58Å; L75-E174 WeakPolarHBondContact CA-O 3.14Å; L75-E174 WeakPolarHBondContact CB-O 3.05Å; L75-E174 CarbonylContact O-C 3.48Å; I76-E174 VanDerWaalsContact CA-O 3.29Å; I76-E174 WeakPolarHBondContact CA-O 3.28Å; I76-E174 PolarHBondContact N-O 3.43Å; I76-E174 VanDerWaalsContact N-O 3.11Å; A77-E174 HydrophobicContact CB-CB 3.81Å; A77-E174 HydrophobicContact CB-CG 3.93Å; A77-E174 VanDerWaalsContact N-N 3.17Å; Y131-E174 WeakPolarHBondContact OH-CG 3.33Å; Y131-E174 PolarHBondContact OH-OE1 2.82Å; R172-E174 HydrophobicContact CB-CG 3.48Å; R172-E174 VanDerWaalsContact CB-CG 3.48Å; R172-E174 WeakPolarHBondContact CD-OE1 3.47Å; R172-E174 HydrophobicContact CG-CG 3.9Å; R172-E174 IonicContact CZ-OE1 3.1Å; R172-E174 IonicContact NE-OE1 3.17Å; R172-E174 PolarHBondContact NE-OE1 2.79Å; R172-E174 IonicContact NH1-OE1 3.92Å; R172-E174 PolarHBondContact NH1-OE1 2.92Å; R172-E174 IonicContact NH1-OE2 2.59Å; R172-E174 PolarHBondContact NH1-OE2 3.46Å; R172-E174 PolarHBondContact O-N 2.94Å
175	L	34.9	Very low	32.9	Very low	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.394	C	S	.	.			trans	-105.7	80.8	170.8	-36.9	115.9	0	0	0	109.2	G9 I11 I71 L73 L75 L151 I173	G9-L175 VanDerWaalsContact O-O 3.1Å; I11-L175 HydrophobicContact CB-CD1 4.19Å; I71-L175 HydrophobicContact CD1-CD1 4.4Å; I71-L175 HydrophobicContact CG2-CD1 3.47Å; I71-L175 VanDerWaalsContact CG2-CD1 3.47Å; I71-L175 HydrophobicContact CG2-CD2 3.62Å; I71-L175 HydrophobicContact CG2-CG 4.15Å; L73-L175 HydrophobicContact CB-CB 2.93Å; L73-L175 HydrophobicContact CB-CD1 4.2Å; L73-L175 HydrophobicContact CB-CD2 4.03Å; L73-L175 HydrophobicContact CB-CG 3.9Å; L73-L175 WeakPolarHBondContact CB-O 3.47Å; L73-L175 HydrophobicContact CD1-CB 3.77Å; L73-L175 HydrophobicContact CD1-CD1 4.11Å; L73-L175 WeakPolarHBondContact CD1-O 3.28Å; L73-L175 HydrophobicContact CG-CB 3.94Å; L73-L175 WeakPolarHBondContact O-CD2 3.29Å; L75-L175 WeakPolarHBondContact O-CA 3.26Å; L75-L175 WeakPolarHBondContact O-CB 3.41Å; L75-L175 WeakPolarHBondContact O-CD2 3.17Å; L75-L175 WeakPolarHBondContact O-CG 3.2Å; L75-L175 PolarHBondContact O-N 3.06Å; L151-L175 HydrophobicContact CD1-CD2 3.31Å; L151-L175 HydrophobicContact CG-CD2 4.15Å; I173-L175 HydrophobicContact CG2-CD1 4.05Å; I173-L175 HydrophobicContact CG2-CD2 4.23Å; I173-L175 HydrophobicContact CG2-CG 4.02Å; I173-L175 WeakPolarHBondContact O-CD1 3.37Å; I173-L175 WeakPolarHBondContact O-CG 3.13Å; I173-L175 PolarHBondContact O-N 3.3Å; I173-L175 VanDerWaalsContact O-N 3.11Å
176	T	29.5	Very low	32.3	Very low	6 Å²	6	75.4 Å²	75.4	4%	0.037	43%	0.434	C	S	.	.			trans	-88.1	147.9	176.4	49.8	0	0	0	0	110.1	L75 Y181	L75-T176 WeakPolarHBondContact CD1-O 3.45Å; L75-T176 WeakPolarHBondContact CD1-OG1 3.23Å; L75-T176 WeakPolarHBondContact CG-O 3.35Å; T176-Y181 HydrophobicContact CG2-CD2 3.99Å; T176-Y181 HydrophobicContact CG2-CE2 4.14Å
177	P	34.4	Very low	32.6	Very low	61 Å²	61	77.4 Å²	77.4	40%	0.396	44%	0.435	S	S	.	.			trans	-56.3	144.5	162.1	-18.9	31	0	0	0	108.8	T179 N180	P177-T179 PolarHBondContact O-N 2.59Å; P177-N180 PolarHBondContact O-N 2.92Å
178	K	44.5	Very low	32.7	Very low	130 Å²	130	77.6 Å²	77.6	57%	0.565	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-13.7	-177.5	-75.1	-176.8	-178.6	-97.2	0	115.2	D135	D135-K178 IonicContact OD1-NZ 3.83Å; D135-K178 WeakPolarHBondContact OD2-CE 3.32Å; D135-K178 IonicContact OD2-NZ 3.97Å; D135-K178 PolarHBondContact OD2-NZ 2.65Å
179	T	40.3	Very low	33.2	Very low	120 Å²	120	75.7 Å²	75.7	74%	0.736	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.5	-170.8	42.1	0	0	0	0	115.8	P177	P177-T179 PolarHBondContact O-N 2.59Å
180	N	33.7	Very low	33.7	Very low	105 Å²	105	74.6 Å²	74.6	56%	0.561	41%	0.413	S	S	*	.	S	Bend	trans	-124.7	135.8	-178	-69.2	-10.8	0	0	0	111.4	P177	P177-N180 PolarHBondContact O-N 2.92Å
181	Y	37.6	Very low	34.1	Very low	130 Å²	130	76.7 Å²	76.7	51%	0.51	43%	0.431	S	S	.	.			trans	106.7	80.1	174.5	-67.6	-84.1	0	0	0	118	T176	T176-Y181 HydrophobicContact CG2-CD2 3.99Å; T176-Y181 HydrophobicContact CG2-CE2 4.14Å
182	L	31.1	Very low	34.2	Very low	132 Å²	132	82.9 Å²	82.9	69%	0.691	46%	0.459	S	S	*	.			trans	-130.8	129.6	149.1	-99.7	140.7	0	0	0	106.4	K189	L182-K189 VanDerWaalsContact CG-NZ 3.28Å
183	Q	33.5	Very low	34.1	Very low	179 Å²	179	84.7 Å²	84.7	84%	0.836	48%	0.481	S	S	*	.			trans	88.7	86.8	165.5	-52.5	177.5	-4.6	0	0	118.1
184	S	27.7	Very low	33.8	Very low	101 Å²	101	90.1 Å²	90.1	71%	0.706	51%	0.51	S	S	*	.	S	Bend	trans	178.4	82.4	137.3	57.9	0	0	0	0	111
185	S	30.6	Very low	34.3	Very low	86 Å²	86	92.9 Å²	92.9	60%	0.601	52%	0.524	S	S	*	.	S	Bend	trans	159.7	137.1	154.8	45.7	0	0	0	0	108.7	F187	S185-F187 VanDerWaalsContact CB-CD2 3.49Å; S185-F187 PolarHBondContact O-N 3.1Å; S185-F187 WeakPolarHBondContact OG-CD2 3.25Å
186	G	28.5	Very low	34.3	Very low	89 Å²	89	100.1 Å²	100.1	92%	0.918	56%	0.556	S	S	*	*			trans	-70.3	33.1	-172	0	0	0	0	0	115.7
187	F	33.6	Very low	34.3	Very low	105 Å²	105	107.1 Å²	107.1	46%	0.461	59%	0.586	S	S	.	*			trans	-87.3	133.3	177.3	-61.5	-73.1	0	0	0	110.3	S185 K189	S185-F187 VanDerWaalsContact CB-CD2 3.49Å; S185-F187 PolarHBondContact O-N 3.1Å; S185-F187 WeakPolarHBondContact OG-CD2 3.25Å; F187-K189 PolarHBondContact O-N 2.84Å
188	T	30.1	Very low	34	Very low	98 Å²	98	115.7 Å²	115.7	60%	0.601	61%	0.61	S	S	*	*			trans	-55.2	105.6	179.3	-46.7	0	0	0	0	109.7	L190	T188-L190 PolarHBondContact O-N 2.97Å
189	K	35.1	Very low	33.2	Very low	126 Å²	126	117.6 Å²	117.6	55%	0.548	62%	0.621	S	S	.	*			trans	-56.1	130.6	164.9	-83.6	-176.6	165.9	-159.8	0	108.1	L182 F187 A191	L182-K189 VanDerWaalsContact CG-NZ 3.28Å; F187-K189 PolarHBondContact O-N 2.84Å; K189-A191 PolarHBondContact O-N 3Å
190	L	37	Very low	32.7	Very low	47 Å²	47	115.2 Å²	115.2	25%	0.246	62%	0.621	C	S	.	*			trans	-51.5	116.2	158.1	-87.9	165.7	0	0	0	107.5	L123 R124 V132 T188 E192	L123-L190 HydrophobicContact CD1-CD1 4.02Å; L123-L190 HydrophobicContact CD1-CD2 4.06Å; R124-L190 WeakPolarHBondContact O-CD2 3.13Å; V132-L190 HydrophobicContact CB-CD1 4.08Å; V132-L190 HydrophobicContact CG1-CD1 3.62Å; V132-L190 HydrophobicContact CG2-CD1 4.18Å; T188-L190 PolarHBondContact O-N 2.97Å; L190-E192 VanDerWaalsContact C-N 3.27Å; L190-E192 PolarHBondContact O-N 2.65Å
191	A	34.6	Very low	32.4	Very low	58 Å²	58	117.6 Å²	117.6	48%	0.479	63%	0.633	S	S	.	*			trans	-65.4	92.3	172.2	0	0	0	0	0	107.7	K189 A193 D194	K189-A191 PolarHBondContact O-N 3Å; A191-A193 PolarHBondContact O-N 2.85Å; A191-D194 PolarHBondContact O-N 3.33Å
192	E	36.8	Very low	31.9	Very low	134 Å²	134	118.7 Å²	118.7	63%	0.626	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-13.4	164.4	-72.8	-178.2	144.4	0	0	111.8	L190	L190-E192 VanDerWaalsContact C-N 3.27Å; L190-E192 PolarHBondContact O-N 2.65Å
193	A	32.9	Very low	31.7	Very low	67 Å²	67	121.8 Å²	121.8	55%	0.554	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	-173.3	0	0	0	0	0	116.8	A191 K197	A191-A193 PolarHBondContact O-N 2.85Å; A193-K197 PolarHBondContact O-NZ 2.74Å
194	D	33.9	Very low	31.4	Very low	115 Å²	115	121.2 Å²	121.2	62%	0.615	66%	0.658	S	S	*	*	S	Bend	trans	-123.6	4.5	-176.8	-77	-27	0	0	0	115.8	A191 F196 K197	A191-D194 PolarHBondContact O-N 3.33Å; D194-F196 VanDerWaalsContact C-N 3.3Å; D194-F196 PolarHBondContact O-N 2.87Å; D194-K197 IonicContact OD1-NZ 3.74Å
195	L	40	Very low	31.3	Very low	61 Å²	61	124.6 Å²	124.6	32%	0.319	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-3.6	-179.6	-89	152.2	0	0	0	115.2	P122	P122-L195 HydrophobicContact CG-CD2 3.77Å
196	F	34.9	Very low	31.5	Very low	152 Å²	152	128.4 Å²	128.4	67%	0.667	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.9	29.5	-177.2	-76.1	-81.8	0	0	0	115.8	D194	D194-F196 VanDerWaalsContact C-N 3.3Å; D194-F196 PolarHBondContact O-N 2.87Å
197	K	30.1	Very low	31.6	Very low	153 Å²	153	130.4 Å²	130.4	67%	0.665	68%	0.675	S	S	*	*			trans	-102.3	113.5	177.2	-79.3	177.5	-175.9	152.7	0	113.9	A193 D194	A193-K197 PolarHBondContact O-NZ 2.74Å; D194-K197 IonicContact OD1-NZ 3.74Å
198	R	27.2	Very low	31.5	Very low	241 Å²	241	131.7 Å²	131.7	91%	0.909	69%	0.686	S	S	*	*			trans	63.1	97.4	154.7	-66.4	-175.9	175.2	-174.4	-1.3	119
199	Q	28.3	Very low	31.6	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	69%	0.69	S	S	*	*				-131.1	141.1	125	-87.5	-164.7	-53.2	0	0	108.3
200	G	28.6	Very low	31.4	Very low	70 Å²	70	134 Å²	134	72%	0.722	70%	0.699	S	S	*	*			trans	-63.3	170.1	-161.4	0	0	0	0	0	116.4
201	D	28	Very low	31.1	Very low	154 Å²	154	139.4 Å²	139.4	82%	0.824	73%	0.727	S	S	*	*	S	Bend	trans	69.1	104.7	168.2	-60.2	-22.9	0	0	0	117.6
202	N	27.4	Very low	30.8	Very low	154 Å²	154	144.9 Å²	144.9	82%	0.824	74%	0.744	S	S	*	*	S	Bend	trans	65.4	116.3	148.1	-72.3	-29.9	0	0	0	119
203	K	27.8	Very low	30.4	Very low	197 Å²	197	145.6 Å²	145.6	86%	0.857	75%	0.752	S	S	*	*			trans	77.1	98	159.9	-62	179.5	175.2	179.3	0	117
204	L	26.2	Very low	30.2	Very low	167 Å²	167	151.7 Å²	151.7	87%	0.874	77%	0.767	S	S	*	*				-167.4	109.9	125.5	-102.6	142.1	0	0	0	109.4
205	L	25.7	Very low	29.9	Very low	171 Å²	171	154.8 Å²	154.8	90%	0.895	78%	0.78	S	S	*	*			trans	-91	136.4	161.4	-88	157.9	0	0	0	107.4
206	V	34.5	Very low	29	Very low	166 Å²	166	163.3 Å²	163.3	100%	1.006	82%	0.822	S	S	*	*			trans	87.5	0	-178.6	-161.2	0	0	0	0	116

Retrieved 206 of 206 residues in 76.1 ms (Link to these results)

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