A0A5K4F5A4_SCHMA Loading...

Cadherin_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5A4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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	37.6	Very low	66.7	Low	228 Å²	228	115.9 Å²	115.9	100%	1.123	58%	0.577	S	S	*	*				0	86.6	0	-168.2	170.3	-175.9	0	0	106.5	L3	M1-L3 PolarHBondContact O-N 3.25Å
2	F	40.3	Very low	68.4	Low	208 Å²	208	115.3 Å²	115.3	91%	0.912	57%	0.571	S	S	*	*			trans	-81.8	106.9	176.9	-85	-86.6	0	0	0	106.9	S4	F2-S4 PolarHBondContact O-N 3.43Å
3	L	46.4	Very low	70	Confident	155 Å²	155	106.5 Å²	106.5	81%	0.812	53%	0.527	S	S	*	.			trans	-70.6	101.8	163.9	-77.4	158	0	0	0	105.6	M1 E5	M1-L3 PolarHBondContact O-N 3.25Å; L3-E5 PolarHBondContact O-N 3.13Å; L3-E5 VanDerWaalsContact O-N 3.14Å
4	S	53.4	Low	71	Confident	72 Å²	72	105.4 Å²	105.4	50%	0.503	52%	0.518	S	S	.	.			trans	-57.3	118.8	168.1	-1	0	0	0	0	107.3	F2 L6 T159	F2-S4 PolarHBondContact O-N 3.43Å; S4-L6 PolarHBondContact O-N 3.36Å; S4-T159 WeakPolarHBondContact CB-O 3.21Å; S4-T159 PolarHBondContact OG-O 3.05Å
5	E	58.6	Low	71.6	Confident	171 Å²	171	98.7 Å²	98.7	80%	0.799	49%	0.485	S	S	*	.			trans	-56	124.3	176.8	-66.7	-178.8	160.5	0	0	108.9	L3 K7	L3-E5 PolarHBondContact O-N 3.13Å; L3-E5 VanDerWaalsContact O-N 3.14Å; E5-K7 PolarHBondContact O-N 3.26Å; E5-K7 VanDerWaalsContact O-N 3.08Å
6	L	62.1	Low	72.1	Confident	135 Å²	135	98.8 Å²	98.8	71%	0.707	48%	0.484	S	S	*	.			trans	-63.6	112.3	172.9	-78.3	163.2	0	0	0	108	S4 K8 I161	S4-L6 PolarHBondContact O-N 3.36Å; L6-K8 PolarHBondContact O-N 3.13Å; L6-I161 HydrophobicContact CD2-CB 4.14Å; L6-I161 HydrophobicContact CD2-CG2 4.12Å
7	K	81.9	Confident	72.7	Confident	41 Å²	41	95.1 Å²	95.1	18%	0.178	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.7	-179.8	-65	-176.7	-176.1	176.8	0	108.8	E5 L29 I161 I162 T163	E5-K7 PolarHBondContact O-N 3.26Å; E5-K7 VanDerWaalsContact O-N 3.08Å; K7-L29 HydrophobicContact CB-CD2 3.74Å; K7-L29 HydrophobicContact CD-CB 4.21Å; K7-L29 HydrophobicContact CD-CD2 4.28Å; K7-L29 HydrophobicContact CG-CD2 4.45Å; K7-L29 PolarHBondContact NZ-O 3.41Å; K7-I161 PolarHBondContact N-O 3.48Å; K7-I162 HydrophobicContact CB-CG1 4.18Å; K7-I162 HydrophobicContact CB-CG2 4.36Å; K7-I162 HydrophobicContact CD-CG1 4.49Å; K7-I162 CarbonylContact O-C 3.57Å; K7-I162 VanDerWaalsContact O-CA 3.3Å; K7-I162 WeakPolarHBondContact O-CA 3.21Å; K7-T163 PolarHBondContact O-N 3.31Å
8	K	85.8	Confident	73.5	Confident	118 Å²	118	94 Å²	94	51%	0.513	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.9	177.1	-168.2	177.9	-177.3	-175.5	0	110.7	L6 N10 T163 S165	L6-K8 PolarHBondContact O-N 3.13Å; K8-N10 VanDerWaalsContact CE-OD1 3.31Å; K8-N10 WeakPolarHBondContact CE-OD1 3.45Å; K8-T163 CarbonylContact C-O 3.59Å; K8-T163 VanDerWaalsContact CA-O 3.31Å; K8-T163 WeakPolarHBondContact CA-O 3.48Å; K8-S165 WeakPolarHBondContact CE-OG 3.45Å
9	L	89.4	Confident	74.4	Confident	42 Å²	42	95.1 Å²	95.1	22%	0.22	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.4	173	-179.8	66.6	0	0	0	108.8	V11 A24 L29 T163 V164 S165	L9-V11 HydrophobicContact CD2-CG2 3.98Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; L9-A24 HydrophobicContact CD2-CB 3.56Å; L9-L29 HydrophobicContact CB-CD1 4.42Å; L9-L29 HydrophobicContact CD2-CD1 4.16Å; L9-T163 PolarHBondContact N-O 2.91Å; L9-V164 HydrophobicContact CB-CG1 4.5Å; L9-V164 HydrophobicContact CB-CG2 4.33Å; L9-V164 HydrophobicContact CD2-CG1 4.26Å; L9-V164 HydrophobicContact CD2-CG2 4.39Å; L9-V164 CarbonylContact O-C 3.55Å; L9-V164 VanDerWaalsContact O-CA 3.32Å; L9-V164 WeakPolarHBondContact O-CA 3.18Å; L9-S165 PolarHBondContact O-N 2.85Å
10	N	88.7	Confident	75.2	Confident	85 Å²	85	92.4 Å²	92.4	46%	0.455	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.9	172.6	-55.2	-75.1	0	0	0	108.7	K8 S165	K8-N10 VanDerWaalsContact CE-OD1 3.31Å; K8-N10 WeakPolarHBondContact CE-OD1 3.45Å; N10-S165 WeakPolarHBondContact CA-O 3.3Å
11	V	89.4	Confident	75.9	Confident	20 Å²	20	90.7 Å²	90.7	12%	0.121	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.8	-179.9	-178.9	0	0	0	0	109	L9 V23 A24 V164 S165 V166 H167	L9-V11 HydrophobicContact CD2-CG2 3.98Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; V11-V23 HydrophobicContact CB-CG1 4.31Å; V11-V23 HydrophobicContact CG1-CG1 3.71Å; V11-V23 VanDerWaalsContact CG1-O 3.22Å; V11-V23 WeakPolarHBondContact CG1-O 3.08Å; V11-A24 HydrophobicContact CG2-CB 4.2Å; V11-V164 HydrophobicContact CG2-CG1 4.06Å; V11-S165 PolarHBondContact N-O 3.11Å; V11-V166 CarbonylContact O-C 3.49Å; V11-V166 WeakPolarHBondContact O-CA 3.27Å; V11-H167 PolarHBondContact O-N 2.9Å
12	H	87.8	Confident	78.5	Confident	109 Å²	109	84 Å²	84	51%	0.505	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.1	172.1	-67.9	-84.5	0	0	0	110.5	H167 I169	H12-H167 WeakPolarHBondContact CA-O 3.36Å; H12-I169 HydrophobicContact CB-CD1 3.73Å; H12-I169 HydrophobicContact CB-CG1 4.37Å
13	L	88.2	Confident	80.8	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.9	-179.8	-161.1	85.2	0	0	0	109	E17 V23 F90 V101 I105 V166 H167 I168 I169	L13-E17 HydrophobicContact CD1-CB 4.31Å; L13-E17 HydrophobicContact CD1-CG 3.94Å; L13-E17 HydrophobicContact CD2-CB 4.32Å; L13-E17 HydrophobicContact CG-CB 4.03Å; L13-E17 HydrophobicContact CG-CG 4.17Å; L13-V23 HydrophobicContact CD1-CB 4.46Å; L13-V23 HydrophobicContact CD1-CG1 4.24Å; L13-V23 HydrophobicContact CD1-CG2 3.78Å; L13-F90 HydrophobicContact CD2-CE1 4.25Å; L13-V101 HydrophobicContact CD1-CG2 4.03Å; L13-V101 HydrophobicContact CD2-CG2 3.99Å; L13-I105 HydrophobicContact CD2-CD1 3.18Å; L13-I105 HydrophobicContact CD2-CG1 4.48Å; L13-V166 HydrophobicContact CB-CG1 3.8Å; L13-V166 HydrophobicContact CD2-CG1 4.4Å; L13-H167 PolarHBondContact N-O 3.47Å; L13-I168 HydrophobicContact CB-CD1 3.99Å; L13-I168 HydrophobicContact CD2-CD1 4Å; L13-I168 CarbonylContact O-C 3.44Å; L13-I168 VanDerWaalsContact O-CA 3.29Å; L13-I168 WeakPolarHBondContact O-CA 3.4Å; L13-I169 PolarHBondContact O-N 3.26Å
14	F	85.1	Confident	82.9	Confident	91 Å²	91	67.7 Å²	67.7	40%	0.399	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	152.9	171.1	-58.3	-61.8	0	0	0	109.6	E17 I169 I171	F14-E17 WeakPolarHBondContact CD2-OE2 3.43Å; F14-E17 PolarHBondContact N-OE2 3.26Å; F14-E17 WeakPolarHBondContact O-CB 3.31Å; F14-E17 PolarHBondContact O-N 3.38Å; F14-I169 WeakPolarHBondContact CA-O 3.24Å; F14-I169 HydrophobicContact CD1-CB 3.85Å; F14-I169 HydrophobicContact CD1-CD1 4.46Å; F14-I169 HydrophobicContact CD1-CG2 3.97Å; F14-I169 HydrophobicContact CE1-CB 4.2Å; F14-I169 HydrophobicContact CE1-CD1 4.09Å; F14-I169 HydrophobicContact CE1-CG2 4.05Å; F14-I171 HydrophobicContact CB-CD1 4.38Å; F14-I171 HydrophobicContact CB-CG2 4.11Å; F14-I171 HydrophobicContact CD1-CG2 3.22Å; F14-I171 HydrophobicContact CE1-CG2 3.83Å; F14-I171 HydrophobicContact CG-CG2 3.9Å
15	E	79.4	Confident	84.7	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.023	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-45.3	179.9	52.6	158.6	-128	0	0	112.7	E17 I105 R107 I168 I169 I171 N172	E15-E17 PolarHBondContact O-N 3.48Å; E15-I105 CarbonylContact C-O 3.51Å; E15-I105 CarbonylContact O-C 3.25Å; E15-I105 VanDerWaalsContact O-C 3.25Å; E15-I105 WeakPolarHBondContact O-CB 3.43Å; E15-R107 PolarHBondContact OE2-N 3.42Å; E15-I168 HydrophobicContact CB-CG2 3.84Å; E15-I169 PolarHBondContact N-O 3.03Å; E15-I169 VanDerWaalsContact N-O 3.13Å; E15-I171 HydrophobicContact CG-CG1 4.12Å; E15-N172 VanDerWaalsContact OE1-CG 3.31Å; E15-N172 PolarHBondContact OE1-ND2 2.82Å; E15-N172 PolarHBondContact OE1-OD1 3.26Å
16	E	79	Confident	85.9	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	31.7	-178.8	-58.5	-157.5	126.6	0	0	113.8	R104 I171	E16-R104 IonicContact OE1-CZ 3.64Å; E16-R104 IonicContact OE1-NH1 3.88Å; E16-R104 IonicContact OE1-NH2 2.71Å; E16-R104 PolarHBondContact OE1-NH2 3.42Å; E16-I171 HydrophobicContact CB-CD1 4.46Å
17	E	83	Confident	86.6	Confident	37 Å²	37	55.8 Å²	55.8	17%	0.173	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.6	139.6	-178.3	-156.7	64.5	-122.4	0	0	112.7	L13 F14 E15 I19 R21 V101	L13-E17 HydrophobicContact CD1-CB 4.31Å; L13-E17 HydrophobicContact CD1-CG 3.94Å; L13-E17 HydrophobicContact CD2-CB 4.32Å; L13-E17 HydrophobicContact CG-CB 4.03Å; L13-E17 HydrophobicContact CG-CG 4.17Å; F14-E17 WeakPolarHBondContact CD2-OE2 3.43Å; F14-E17 PolarHBondContact N-OE2 3.26Å; F14-E17 WeakPolarHBondContact O-CB 3.31Å; F14-E17 PolarHBondContact O-N 3.38Å; E15-E17 PolarHBondContact O-N 3.48Å; E17-I19 PolarHBondContact O-N 3.39Å; E17-R21 HydrophobicContact CG-CB 4.05Å; E17-R21 HydrophobicContact CG-CG 4.18Å; E17-R21 WeakPolarHBondContact OE1-CD 3.3Å; E17-R21 IonicContact OE1-CZ 3.55Å; E17-R21 IonicContact OE1-NE 2.65Å; E17-R21 IonicContact OE1-NH1 3.91Å; E17-R21 IonicContact OE2-CZ 3.96Å; E17-R21 IonicContact OE2-NE 3.58Å; E17-R21 IonicContact OE2-NH1 3.5Å; E17-R21 PolarHBondContact OE2-NH1 3.08Å; E17-V101 HydrophobicContact CB-CG2 4.49Å; E17-V101 HydrophobicContact CG-CG2 4.41Å
18	S	87.3	Confident	85.8	Confident	75 Å²	75	59.8 Å²	59.8	52%	0.524	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-60.5	135.1	179.9	60.6	0	0	0	0	112.7	G20 R21	S18-G20 PolarHBondContact O-N 3.31Å; S18-R21 VanDerWaalsContact O-CB 3.31Å; S18-R21 WeakPolarHBondContact O-CB 3.5Å; S18-R21 PolarHBondContact O-N 3.14Å; S18-R21 VanDerWaalsContact O-N 3.11Å
19	I	90.1	Very high	84.7	Confident	114 Å²	114	55.6 Å²	55.6	59%	0.585	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	134.3	172.7	-61.7	173.3	0	0	0	108.8	E17	E17-I19 PolarHBondContact O-N 3.39Å
20	G	90.1	Very high	83.3	Confident	41 Å²	41	55 Å²	55	42%	0.423	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-9.9	-176.4	0	0	0	0	0	114.5	S18 E22 R100 V101	S18-G20 PolarHBondContact O-N 3.31Å; G20-E22 PolarHBondContact O-N 2.79Å; G20-R100 WeakPolarHBondContact O-CD 3.44Å; G20-V101 PolarHBondContact N-O 2.83Å
21	R	90.4	Very high	81.5	Confident	57 Å²	57	56.6 Å²	56.6	22%	0.215	29%	0.29	C	S	.	.			trans	-57.4	134	171.9	-176.2	-171.4	178.7	-146	-9.9	110.1	E17 S18 V23 R100 V101	E17-R21 HydrophobicContact CG-CB 4.05Å; E17-R21 HydrophobicContact CG-CG 4.18Å; E17-R21 WeakPolarHBondContact OE1-CD 3.3Å; E17-R21 IonicContact OE1-CZ 3.55Å; E17-R21 IonicContact OE1-NE 2.65Å; E17-R21 IonicContact OE1-NH1 3.91Å; E17-R21 IonicContact OE2-CZ 3.96Å; E17-R21 IonicContact OE2-NE 3.58Å; E17-R21 IonicContact OE2-NH1 3.5Å; E17-R21 PolarHBondContact OE2-NH1 3.08Å; S18-R21 VanDerWaalsContact O-CB 3.31Å; S18-R21 WeakPolarHBondContact O-CB 3.5Å; S18-R21 PolarHBondContact O-N 3.14Å; S18-R21 VanDerWaalsContact O-N 3.11Å; R21-V23 PolarHBondContact O-N 3.11Å; R21-R100 CarbonylContact O-C 3.58Å; R21-R100 WeakPolarHBondContact O-CA 3.32Å; R21-V101 HydrophobicContact CB-CG2 4.29Å; R21-V101 PolarHBondContact O-N 3.17Å
22	E	91.6	Very high	79.4	Confident	87 Å²	87	62.3 Å²	62.3	41%	0.407	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.9	169.1	-176.8	168.2	147.2	0	0	111.1	G20 N25 I98	G20-E22 PolarHBondContact O-N 2.79Å; E22-N25 WeakPolarHBondContact OE1-CB 3.39Å; E22-I98 HydrophobicContact CG-CG2 3.77Å
23	V	90.1	Very high	77.1	Confident	12 Å²	12	62.5 Å²	62.5	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-43.7	178.5	-177.3	0	0	0	0	109.5	V11 L13 R21 F90 I99 V101 V166	V11-V23 HydrophobicContact CB-CG1 4.31Å; V11-V23 HydrophobicContact CG1-CG1 3.71Å; V11-V23 VanDerWaalsContact CG1-O 3.22Å; V11-V23 WeakPolarHBondContact CG1-O 3.08Å; L13-V23 HydrophobicContact CD1-CB 4.46Å; L13-V23 HydrophobicContact CD1-CG1 4.24Å; L13-V23 HydrophobicContact CD1-CG2 3.78Å; R21-V23 PolarHBondContact O-N 3.11Å; V23-F90 HydrophobicContact CG1-CE1 4.28Å; V23-F90 HydrophobicContact CG2-CD1 4.05Å; V23-F90 HydrophobicContact CG2-CE1 4.06Å; V23-I99 HydrophobicContact CB-CB 4.46Å; V23-I99 HydrophobicContact CB-CG2 4.21Å; V23-I99 PolarHBondContact N-O 2.48Å; V23-V101 HydrophobicContact CG2-CG2 3.62Å; V23-V166 HydrophobicContact CG1-CG1 4.19Å; V23-V166 HydrophobicContact CG1-CG2 4.11Å
24	A	90.7	Very high	74.5	Confident	9 Å²	9	68.3 Å²	68.3	7%	0.074	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	160.6	-178.2	0	0	0	0	0	111.2	L9 V11 I99 V164	L9-A24 HydrophobicContact CD2-CB 3.56Å; V11-A24 HydrophobicContact CG2-CB 4.2Å; A24-I99 HydrophobicContact CB-CB 4.26Å; A24-I99 HydrophobicContact CB-CD1 4.13Å; A24-I99 HydrophobicContact CB-CG1 4.38Å; A24-I99 PolarHBondContact N-O 3.01Å; A24-I99 PolarHBondContact O-N 3.31Å; A24-V164 HydrophobicContact CB-CG1 4.43Å
25	N	89.6	Confident	71.9	Confident	27 Å²	27	74.2 Å²	74.2	14%	0.144	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	114.6	170.6	178.6	-20.3	0	0	0	109.2	E22 Q27 F28 I98	E22-N25 WeakPolarHBondContact OE1-CB 3.39Å; N25-Q27 VanDerWaalsContact C-N 3.31Å; N25-Q27 PolarHBondContact O-N 3.27Å; N25-Q27 VanDerWaalsContact OD1-CB 3.27Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.32Å; N25-Q27 PolarHBondContact OD1-N 3.05Å; N25-F28 HydrophobicContact CB-CD2 3.77Å; N25-F28 HydrophobicContact CB-CE2 3.59Å; N25-F28 VanDerWaalsContact O-CD2 3.3Å; N25-F28 WeakPolarHBondContact O-CD2 3.3Å; N25-I98 HydrophobicContact CB-CG1 4.36Å
26	L	85.4	Confident	69.5	Low	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.5	-172.2	-58.7	179.1	0	0	0	113.6	F28 L29 Y78 L92 G97 I99 I152 I162 V164	L26-F28 PolarHBondContact O-N 3.03Å; L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 WeakPolarHBondContact O-CB 3.22Å; L26-L29 PolarHBondContact O-N 2.91Å; L26-Y78 HydrophobicContact CB-CD1 4.13Å; L26-Y78 HydrophobicContact CB-CE1 3.66Å; L26-Y78 HydrophobicContact CD1-CD1 3.72Å; L26-Y78 HydrophobicContact CD1-CE1 4.11Å; L26-Y78 HydrophobicContact CD1-CG 4.29Å; L26-L92 HydrophobicContact CD1-CD1 4.01Å; L26-G97 WeakPolarHBondContact CB-O 3.39Å; L26-G97 VanDerWaalsContact CG-O 3.24Å; L26-G97 WeakPolarHBondContact CG-O 3.48Å; L26-G97 PolarHBondContact N-O 3.31Å; L26-I99 HydrophobicContact CD1-CD1 4.37Å; L26-I99 HydrophobicContact CD2-CD1 4.27Å; L26-I99 HydrophobicContact CG-CD1 4.36Å; L26-I152 HydrophobicContact CD1-CB 4.31Å; L26-I152 HydrophobicContact CD1-CD1 3.67Å; L26-I152 HydrophobicContact CD1-CG2 3.73Å; L26-I162 HydrophobicContact CB-CD1 4.24Å; L26-I162 HydrophobicContact CD1-CD1 4.35Å; L26-I162 HydrophobicContact CD2-CD1 4.35Å; L26-I162 HydrophobicContact CD2-CG2 3.99Å; L26-V164 HydrophobicContact CD2-CG2 3.79Å
27	Q	75.4	Confident	67	Low	101 Å²	101	81 Å²	81	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-61.6	-32.9	179.1	-169.8	176	-7.5	0	0	111.6	N25 L29 M30 N31	N25-Q27 VanDerWaalsContact C-N 3.31Å; N25-Q27 PolarHBondContact O-N 3.27Å; N25-Q27 VanDerWaalsContact OD1-CB 3.27Å; N25-Q27 WeakPolarHBondContact OD1-CB 3.32Å; N25-Q27 PolarHBondContact OD1-N 3.05Å; Q27-L29 PolarHBondContact O-N 2.8Å; Q27-M30 PolarHBondContact O-N 3.48Å; Q27-M30 VanDerWaalsContact O-N 3.11Å; Q27-N31 PolarHBondContact O-N 3.05Å
28	F	65	Low	64.6	Low	125 Å²	125	86.5 Å²	86.5	55%	0.548	45%	0.449	S	S	.	.	H	α-helix	trans	-58.9	-35.9	174.5	-60.7	-62.5	0	0	0	112	N25 L26 M30 H32	N25-F28 HydrophobicContact CB-CD2 3.77Å; N25-F28 HydrophobicContact CB-CE2 3.59Å; N25-F28 VanDerWaalsContact O-CD2 3.3Å; N25-F28 WeakPolarHBondContact O-CD2 3.3Å; L26-F28 PolarHBondContact O-N 3.03Å; F28-M30 VanDerWaalsContact C-N 3.32Å; F28-M30 PolarHBondContact O-N 2.75Å; F28-H32 PolarHBondContact O-CD2 3.39Å
29	L	64.2	Low	61.7	Low	31 Å²	31	90.9 Å²	90.9	16%	0.162	47%	0.467	C	S	.	.	H	α-helix	trans	-75.2	-17.4	178.8	-73.3	112	0	0	0	113.9	K7 L9 L26 Q27 I162	K7-L29 HydrophobicContact CB-CD2 3.74Å; K7-L29 HydrophobicContact CD-CB 4.21Å; K7-L29 HydrophobicContact CD-CD2 4.28Å; K7-L29 HydrophobicContact CG-CD2 4.45Å; K7-L29 PolarHBondContact NZ-O 3.41Å; L9-L29 HydrophobicContact CB-CD1 4.42Å; L9-L29 HydrophobicContact CD2-CD1 4.16Å; L26-L29 HydrophobicContact CD2-CD1 4.11Å; L26-L29 WeakPolarHBondContact O-CB 3.22Å; L26-L29 PolarHBondContact O-N 2.91Å; Q27-L29 PolarHBondContact O-N 2.8Å; L29-I162 HydrophobicContact CB-CD1 4.49Å; L29-I162 HydrophobicContact CD2-CG2 4.25Å
30	M	59	Low	58.8	Low	30 Å²	30	94 Å²	94	15%	0.148	47%	0.473	C	S	.	.	H	α-helix	trans	-89.6	-29.7	179	-62.1	-164.3	81.2	0	0	112.7	Q27 F28 H32 N76 Y78	Q27-M30 PolarHBondContact O-N 3.48Å; Q27-M30 VanDerWaalsContact O-N 3.11Å; F28-M30 VanDerWaalsContact C-N 3.32Å; F28-M30 PolarHBondContact O-N 2.75Å; M30-H32 PolarHBondContact O-N 3.02Å; M30-N76 HydrophobicContact CE-CB 3.99Å; M30-N76 WeakPolarHBondContact CE-ND2 3.24Å; M30-N76 HydrophobicContact SD-CB 4.04Å; M30-Y78 HydrophobicContact CG-CE1 4.43Å; M30-Y78 HydrophobicContact SD-CE1 3.65Å; M30-Y78 VanDerWaalsContact SD-CZ 3.53Å; M30-Y78 PolarHBondContact SD-OH 3.45Å
31	N	50.5	Low	55.8	Low	117 Å²	117	101.3 Å²	101.3	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-79	-12.1	-179.2	-76.8	-5.1	0	0	0	114.5	Q27 T33	Q27-N31 PolarHBondContact O-N 3.05Å; N31-T33 VanDerWaalsContact C-N 3.31Å; N31-T33 PolarHBondContact O-N 3.46Å
32	H	46	Very low	53.2	Low	141 Å²	141	104.7 Å²	104.7	65%	0.653	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	20.7	-177	-85.4	-64.2	0	0	0	116.1	F28 M30 N34	F28-H32 PolarHBondContact O-CD2 3.39Å; M30-H32 PolarHBondContact O-N 3.02Å; H32-N34 VanDerWaalsContact C-N 3.27Å
33	T	40.2	Very low	50.2	Low	113 Å²	113	107.2 Å²	107.2	69%	0.693	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	0.5	170.6	47.3	0	0	0	0	114	N31	N31-T33 VanDerWaalsContact C-N 3.31Å; N31-T33 PolarHBondContact O-N 3.46Å
34	N	32	Very low	47.6	Very low	123 Å²	123	110.4 Å²	110.4	66%	0.658	55%	0.55	S	S	*	.	S	Bend	trans	-127	131	166	-72.7	-30.4	0	0	0	108.3	H32	H32-N34 VanDerWaalsContact C-N 3.27Å
35	Y	31	Very low	44.8	Very low	215 Å²	215	118.8 Å²	118.8	84%	0.843	59%	0.587	S	S	*	*			trans	89.4	88.9	-176.7	-61.1	-80.7	0	0	0	116.1
36	S	28.6	Very low	42	Very low	99 Å²	99	123.4 Å²	123.4	69%	0.692	62%	0.616	S	S	*	*			trans	-58.9	143.4	156.5	49.4	0	0	0	0	111.7
37	N	26.7	Very low	39.2	Very low	147 Å²	147	128.9 Å²	128.9	79%	0.786	65%	0.65	S	S	*	*			trans	79.4	91.4	167.8	-50.9	-21.8	0	0	0	115.9
38	E	31.8	Very low	36.9	Very low	152 Å²	152	134 Å²	134	71%	0.71	67%	0.667	S	S	*	*			trans	-171.3	123.5	132.1	-102.9	162.7	-169.6	0	0	110.9	Y40	E38-Y40 HydrophobicContact CB-CD2 3.81Å; E38-Y40 HydrophobicContact CB-CE2 3.57Å; E38-Y40 HydrophobicContact CG-CE2 4.2Å; E38-Y40 PolarHBondContact O-N 3.2Å; E38-Y40 VanDerWaalsContact O-N 3.13Å; E38-Y40 WeakPolarHBondContact OE2-CE2 3.43Å; E38-Y40 PolarHBondContact OE2-OH 2.97Å
39	N	26.5	Very low	35.1	Very low	168 Å²	168	134.5 Å²	134.5	90%	0.898	68%	0.68	S	S	*	*			trans	-71.1	97.6	171.5	-80.2	-36.5	0	0	0	109.1
40	Y	30.8	Very low	33.2	Very low	180 Å²	180	139.2 Å²	139.2	71%	0.706	71%	0.71	S	S	*	*			trans	-99.3	108.3	169.9	-81.5	-77	0	0	0	111.2	E38 I42	E38-Y40 HydrophobicContact CB-CD2 3.81Å; E38-Y40 HydrophobicContact CB-CE2 3.57Å; E38-Y40 HydrophobicContact CG-CE2 4.2Å; E38-Y40 PolarHBondContact O-N 3.2Å; E38-Y40 VanDerWaalsContact O-N 3.13Å; E38-Y40 WeakPolarHBondContact OE2-CE2 3.43Å; E38-Y40 PolarHBondContact OE2-OH 2.97Å; Y40-I42 PolarHBondContact O-N 3.44Å
41	F	27.2	Very low	31.7	Very low	194 Å²	194	145.2 Å²	145.2	85%	0.851	74%	0.741	S	S	*	*			trans	-66.2	112.5	159.5	-87.9	-97.7	0	0	0	108.6	N43	F41-N43 PolarHBondContact O-N 2.55Å
42	I	35.6	Very low	30.5	Very low	128 Å²	128	145 Å²	145	66%	0.656	74%	0.744	S	S	*	*			trans	-89	98.1	173.4	-56	176.9	0	0	0	108.3	Y40 T44	Y40-I42 PolarHBondContact O-N 3.44Å; I42-T44 HydrophobicContact CG2-CG2 3.83Å; I42-T44 PolarHBondContact O-N 3.19Å
43	N	28.8	Very low	29.6	Very low	140 Å²	140	144.5 Å²	144.5	75%	0.749	75%	0.751	S	S	*	*			trans	-78.5	108.1	161.3	-79.6	-11	0	0	0	108.3	F41 H45	F41-N43 PolarHBondContact O-N 2.55Å; N43-H45 VanDerWaalsContact C-N 3.35Å; N43-H45 PolarHBondContact O-N 3.21Å
44	T	35.5	Very low	29.2	Very low	78 Å²	78	146.5 Å²	146.5	48%	0.479	75%	0.753	S	S	.	*			trans	-81.7	78.7	177.3	58.9	0	0	0	0	111.3	I42	I42-T44 HydrophobicContact CG2-CG2 3.83Å; I42-T44 PolarHBondContact O-N 3.19Å
45	H	31.4	Very low	29.1	Very low	186 Å²	186	147.9 Å²	147.9	86%	0.861	76%	0.76	S	S	*	*			trans	-105	72.7	148	-80.1	-77.9	0	0	0	107.3	N43	N43-H45 VanDerWaalsContact C-N 3.35Å; N43-H45 PolarHBondContact O-N 3.21Å
46	T	29.9	Very low	29.1	Very low	123 Å²	123	144.3 Å²	144.3	76%	0.755	76%	0.755	S	S	*	*			trans	-100	97.9	-179.7	43.5	0	0	0	0	110.8
47	T	27.5	Very low	29.4	Very low	115 Å²	115	146.5 Å²	146.5	71%	0.706	76%	0.759	S	S	*	*			trans	-78.2	125.2	156.8	42.6	0	0	0	0	110
48	Y	27.3	Very low	30	Very low	209 Å²	209	147.2 Å²	147.2	82%	0.82	76%	0.763	S	S	*	*			trans	39.8	123.4	156.5	-44.6	-73.4	0	0	0	120.1
49	T	26.3	Very low	30.1	Very low	136 Å²	136	146.8 Å²	146.8	83%	0.834	77%	0.766	S	S	*	*				-172.4	125.1	111	23	0	0	0	0	110.7	I51	T49-I51 PolarHBondContact O-N 2.97Å
50	T	24.1	Very low	30.7	Very low	129 Å²	129	145.5 Å²	145.5	79%	0.791	76%	0.759	S	S	*	*			trans	-66.3	120.3	168.3	44.4	0	0	0	0	109.8
51	I	27.7	Very low	31.2	Very low	156 Å²	156	144.9 Å²	144.9	80%	0.8	76%	0.762	S	S	*	*			trans	-92.6	97.6	161.6	-60.7	175.6	0	0	0	106.9	T49 T53	T49-I51 PolarHBondContact O-N 2.97Å; I51-T53 PolarHBondContact O-N 2.88Å
52	T	25.1	Very low	31.6	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	77%	0.766	S	S	*	*			trans	-73.5	105.6	163	16.5	0	0	0	0	108.4	H54	T52-H54 PolarHBondContact O-N 2.85Å
53	T	27.8	Very low	31.8	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	77%	0.773	S	S	*	*			trans	-78.4	101.1	160.4	42.3	0	0	0	0	108.6	I51 N55	I51-T53 PolarHBondContact O-N 2.88Å; T53-N55 PolarHBondContact O-N 3.16Å
54	H	30.8	Very low	32.1	Very low	156 Å²	156	145.1 Å²	145.1	72%	0.722	78%	0.78	S	S	*	*			trans	-60.5	117.3	164.9	-93.7	-90.1	0	0	0	109.5	T52 N56	T52-H54 PolarHBondContact O-N 2.85Å; H54-N56 PolarHBondContact O-N 2.81Å
55	N	30.4	Very low	32.5	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	80%	0.799	S	S	*	*			trans	-90.4	91.3	171.3	-143	12.4	0	0	0	107.4	T53	T53-N55 PolarHBondContact O-N 3.16Å
56	N	31	Very low	32.8	Very low	139 Å²	139	149.9 Å²	149.9	74%	0.743	80%	0.802	S	S	*	*			trans	-103.3	102.7	172	-86.5	-8.1	0	0	0	108.4	H54	H54-N56 PolarHBondContact O-N 2.81Å
57	N	36.1	Very low	33.2	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	80%	0.804	S	S	*	*			trans	-121.1	104.3	163.1	-80.2	-14.5	0	0	0	108.2
58	N	38.4	Very low	33.7	Very low	163 Å²	163	151.9 Å²	151.9	87%	0.872	82%	0.816	S	S	*	*			trans	-90.9	142.4	161.8	-87	-19.9	0	0	0	108.9
59	N	33.5	Very low	34.1	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	82%	0.818	S	S	*	*			trans	-57.9	154.4	-176.2	-51.5	-42.7	0	0	0	113.6
60	N	39.5	Very low	34.3	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	81%	0.813	S	S	*	*				-177.5	121.9	118.9	-82.8	-10.3	0	0	0	112.2
61	E	42.4	Very low	35	Very low	167 Å²	167	150.6 Å²	150.6	78%	0.78	82%	0.815	S	S	*	*			trans	64.1	107.1	132.8	-63.6	174.2	178.2	0	0	121.9
62	E	33.8	Very low	35.7	Very low	199 Å²	199	150.4 Å²	150.4	93%	0.93	81%	0.814	S	S	*	*				50.7	116.8	126.4	-64.7	-178.6	-179.1	0	0	121
63	G	40.6	Very low	36.7	Very low	78 Å²	78	152.2 Å²	152.2	80%	0.804	82%	0.818	S	S	*	*			trans	178.3	100	162.5	0	0	0	0	0	109.7
64	E	34.4	Very low	37.9	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	82%	0.818	S	S	*	*			trans	-65.2	129.7	175	-63.9	173.5	154.5	0	0	110.5
65	D	45.1	Very low	39.3	Very low	165 Å²	165	151.7 Å²	151.7	88%	0.882	81%	0.814	S	S	*	*			trans	-167.8	144.3	138.6	-98.6	-21.5	0	0	0	111.2
66	E	38.1	Very low	41	Very low	199 Å²	199	148.1 Å²	148.1	93%	0.93	80%	0.795	S	S	*	*			trans	-64.6	140.9	-165.5	-57.7	176.6	140	0	0	114.5
67	G	37	Very low	43.5	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	77%	0.77	S	S	*	*			trans	158.8	71	169.7	0	0	0	0	0	114.6	E69	G67-E69 PolarHBondContact O-N 3.3Å; G67-E69 VanDerWaalsContact O-N 3.11Å
68	Q	38.1	Very low	46.1	Very low	204 Å²	204	137.8 Å²	137.8	95%	0.953	74%	0.735	S	S	*	*			trans	-66.5	102.7	169.5	-71.8	176.1	-5.7	0	0	110.9
69	E	35.5	Very low	48.6	Very low	185 Å²	185	134.1 Å²	134.1	86%	0.864	71%	0.713	S	S	*	*			trans	-141.6	76.7	145.1	-159.5	170.9	-173.8	0	0	108.5	G67 K71	G67-E69 PolarHBondContact O-N 3.3Å; G67-E69 VanDerWaalsContact O-N 3.11Å; E69-K71 VanDerWaalsContact C-N 3.29Å; E69-K71 PolarHBondContact O-N 2.81Å
70	G	31.9	Very low	51.4	Low	72 Å²	72	128.8 Å²	128.8	74%	0.742	68%	0.684	S	S	*	*			trans	-61.6	94.4	168.7	0	0	0	0	0	108.8	I72	G70-I72 PolarHBondContact O-N 2.88Å
71	K	37.7	Very low	53.8	Low	191 Å²	191	125.5 Å²	125.5	83%	0.83	66%	0.663	S	S	*	*			trans	-44.2	105.6	174.3	-155.8	175.6	-169.6	176.4	0	108.6	E69 I73	E69-K71 VanDerWaalsContact C-N 3.29Å; E69-K71 PolarHBondContact O-N 2.81Å; K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 PolarHBondContact O-N 2.78Å
72	I	42.9	Very low	55.9	Low	151 Å²	151	118.7 Å²	118.7	77%	0.774	63%	0.632	S	S	*	*			trans	-57.4	100.7	175.5	-62.5	171.3	0	0	0	106.3	G70 K74	G70-I72 PolarHBondContact O-N 2.88Å; I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 3.34Å
73	I	45.3	Very low	58	Low	152 Å²	152	115 Å²	115	78%	0.779	63%	0.628	S	S	*	*			trans	-66	101.8	167.1	-58.5	175.5	0	0	0	103.6	K71 S75	K71-I73 VanDerWaalsContact C-N 3.33Å; K71-I73 PolarHBondContact O-N 2.78Å; I73-S75 PolarHBondContact O-N 3.07Å
74	K	53.4	Low	59.6	Low	181 Å²	181	114.6 Å²	114.6	79%	0.787	61%	0.605	S	S	*	*			trans	-57.6	94.3	166.9	-76.6	-177	177.1	-178.9	0	106.1	I72 N76	I72-K74 VanDerWaalsContact C-N 3.29Å; I72-K74 PolarHBondContact O-N 3.34Å; K74-N76 PolarHBondContact O-N 2.8Å
75	S	59.9	Low	61.9	Low	93 Å²	93	108 Å²	108	65%	0.65	58%	0.58	S	S	*	*			trans	-65	108.7	170.3	56.5	0	0	0	0	105.6	I73 Y77	I73-S75 PolarHBondContact O-N 3.07Å; S75-Y77 PolarHBondContact O-N 3.38Å; S75-Y77 VanDerWaalsContact O-N 3.07Å
76	N	67.2	Low	63.6	Low	77 Å²	77	100.2 Å²	100.2	41%	0.412	54%	0.538	S	S	.	.			trans	-56	119.6	169.7	-63.3	-34.3	0	0	0	106.3	M30 K74	M30-N76 HydrophobicContact CE-CB 3.99Å; M30-N76 WeakPolarHBondContact CE-ND2 3.24Å; M30-N76 HydrophobicContact SD-CB 4.04Å; K74-N76 PolarHBondContact O-N 2.8Å
77	Y	83.4	Confident	65.8	Low	57 Å²	57	93.1 Å²	93.1	22%	0.224	51%	0.51	C	S	.	.			trans	-114.7	124.3	176.6	86.8	-94.2	0	0	0	107	S75 Q79 A94 R153 S154 D156	S75-Y77 PolarHBondContact O-N 3.38Å; S75-Y77 VanDerWaalsContact O-N 3.07Å; Y77-Q79 HydrophobicContact CD2-CB 4.33Å; Y77-Q79 HydrophobicContact CE2-CB 3.85Å; Y77-A94 CarbonylContact C-O 3.54Å; Y77-A94 VanDerWaalsContact CA-O 3.27Å; Y77-A94 WeakPolarHBondContact CA-O 3.31Å; Y77-R153 PolarHBondContact OH-NE 3.15Å; Y77-R153 PolarHBondContact OH-NH2 3.04Å; Y77-S154 PolarHBondContact N-O 2.7Å; Y77-S154 CarbonylContact O-C 3.51Å; Y77-S154 VanDerWaalsContact O-CA 3.3Å; Y77-S154 WeakPolarHBondContact O-CA 3.07Å; Y77-S154 VanDerWaalsContact O-O 3.13Å; Y77-D156 HydrophobicContact CE1-CB 4.49Å; Y77-D156 WeakPolarHBondContact OH-CA 3.36Å; Y77-D156 VanDerWaalsContact OH-CG 3.23Å; Y77-D156 PolarHBondContact OH-OD1 2.96Å
78	Y	89.6	Confident	68.2	Low	11 Å²	11	95.2 Å²	95.2	4%	0.043	50%	0.498	C	S	.	.			trans	-90.8	135.3	-179.2	-56.8	-88.7	0	0	0	110.2	L26 M30 A94 I152 R153 I162	L26-Y78 HydrophobicContact CB-CD1 4.13Å; L26-Y78 HydrophobicContact CB-CE1 3.66Å; L26-Y78 HydrophobicContact CD1-CD1 3.72Å; L26-Y78 HydrophobicContact CD1-CE1 4.11Å; L26-Y78 HydrophobicContact CD1-CG 4.29Å; M30-Y78 HydrophobicContact CG-CE1 4.43Å; M30-Y78 HydrophobicContact SD-CE1 3.65Å; M30-Y78 VanDerWaalsContact SD-CZ 3.53Å; M30-Y78 PolarHBondContact SD-OH 3.45Å; Y78-A94 WeakPolarHBondContact CD2-O 3.5Å; Y78-A94 PolarHBondContact N-O 2.94Å; Y78-A94 WeakPolarHBondContact O-CA 3.27Å; Y78-A94 WeakPolarHBondContact O-CB 3.39Å; Y78-I152 HydrophobicContact CD1-CG2 4.37Å; Y78-R153 CarbonylContact C-O 3.12Å; Y78-R153 VanDerWaalsContact CA-O 3.32Å; Y78-R153 WeakPolarHBondContact CA-O 3.43Å; Y78-I162 HydrophobicContact CE1-CD1 4.39Å
79	Q	91.6	Very high	70.7	Confident	85 Å²	85	87.4 Å²	87.4	40%	0.397	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	130.2	176	-175.5	177.2	18.2	0	0	111.8	Y77 I152 R153	Y77-Q79 HydrophobicContact CD2-CB 4.33Å; Y77-Q79 HydrophobicContact CE2-CB 3.85Å; Q79-I152 WeakPolarHBondContact O-CA 3.47Å; Q79-R153 HydrophobicContact CB-CG 4.12Å; Q79-R153 PolarHBondContact N-O 2.04Å; Q79-R153 PolarHBondContact O-N 3.32Å; Q79-R153 VanDerWaalsContact OE1-CZ 3.3Å
80	I	91.8	Very high	73.4	Confident	32 Å²	32	78.8 Å²	78.8	16%	0.164	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.8	170.7	-50.7	179.9	0	0	0	108.6	N82 L92 N151 I152	I80-N82 HydrophobicContact CG2-CB 4.33Å; I80-N82 WeakPolarHBondContact CG2-OD1 3.45Å; I80-L92 HydrophobicContact CD1-CB 3.86Å; I80-L92 HydrophobicContact CD1-CD2 4.42Å; I80-L92 HydrophobicContact CG1-CB 3.9Å; I80-L92 HydrophobicContact CG1-CD2 3.55Å; I80-L92 HydrophobicContact CG1-CG 4.4Å; I80-N151 WeakPolarHBondContact CA-O 3.5Å; I80-I152 HydrophobicContact CG1-CG1 4.19Å
81	F	90.6	Very high	76.3	Confident	70 Å²	70	80.6 Å²	80.6	31%	0.307	41%	0.408	S	S	.	.			trans	-122.2	16	-178.4	68.9	-92.8	0	0	0	114	N151 R153 Y158 I161	F81-N151 HydrophobicContact CD1-CB 4.26Å; F81-N151 WeakPolarHBondContact CD1-O 3.27Å; F81-N151 HydrophobicContact CD2-CB 4.27Å; F81-N151 VanDerWaalsContact CE1-C 3.41Å; F81-N151 HydrophobicContact CE1-CB 3.79Å; F81-N151 HydrophobicContact CE2-CB 3.79Å; F81-N151 HydrophobicContact CG-CB 4.49Å; F81-N151 HydrophobicContact CZ-CB 3.54Å; F81-N151 PolarHBondContact N-O 3.09Å; F81-R153 HydrophobicContact CD1-CB 4.11Å; F81-R153 HydrophobicContact CD1-CG 4.39Å; F81-R153 HydrophobicContact CE1-CB 4.2Å; F81-Y158 HydrophobicContact CB-CE1 4.45Å; F81-Y158 HydrophobicContact CD1-CE1 4.12Å; F81-Y158 HydrophobicContact CD2-CE1 4.19Å; F81-Y158 HydrophobicContact CE1-CD1 4.41Å; F81-Y158 HydrophobicContact CE1-CE1 4.38Å; F81-Y158 HydrophobicContact CE2-CE1 4.46Å; F81-Y158 HydrophobicContact CG-CE1 4.02Å; F81-Y158 HydrophobicContact CZ-CD1 4.5Å; F81-I161 HydrophobicContact CE1-CG2 4.08Å; F81-I161 HydrophobicContact CZ-CD1 4.4Å; F81-I161 HydrophobicContact CZ-CG1 4.4Å; F81-I161 HydrophobicContact CZ-CG2 3.82Å
82	N	86.4	Confident	79	Confident	25 Å²	25	72.6 Å²	72.6	13%	0.134	37%	0.374	C	S	.	.			trans	-56.4	144.9	175.4	-66.4	76.3	0	0	0	112.9	I80 E84 Q86 D149 L150 N151	I80-N82 HydrophobicContact CG2-CB 4.33Å; I80-N82 WeakPolarHBondContact CG2-OD1 3.45Å; N82-E84 VanDerWaalsContact C-N 3.31Å; N82-Q86 HydrophobicContact CB-CG 4.34Å; N82-Q86 PolarHBondContact ND2-NE2 2.87Å; N82-D149 PolarHBondContact ND2-O 3.48Å; N82-L150 WeakPolarHBondContact OD1-CA 3.48Å; N82-N151 PolarHBondContact ND2-N 3.19Å; N82-N151 PolarHBondContact OD1-N 3.11Å; N82-N151 PolarHBondContact OD1-O 3.26Å
83	S	77.1	Confident	81.3	Confident	121 Å²	121	67.7 Å²	67.7	85%	0.846	35%	0.35	S	S	*	.	S	Bend	trans	-74.4	-20.6	171.3	48.1	0	0	0	0	113.8
84	E	74.8	Confident	83.5	Confident	69 Å²	69	62.6 Å²	62.6	32%	0.322	33%	0.33	S	S	.	.	S	Bend	trans	-106.2	161.1	-167.9	-70.8	158.3	170.4	0	0	111.4	N82 Q86 F114	N82-E84 VanDerWaalsContact C-N 3.31Å; E84-Q86 PolarHBondContact O-N 3.16Å; E84-Q86 PolarHBondContact O-OE1 3.13Å; E84-Q86 PolarHBondContact OE2-NE2 2.85Å; E84-Q86 VanDerWaalsContact OE2-NE2 3.09Å; E84-F114 HydrophobicContact CB-CD1 4.48Å; E84-F114 HydrophobicContact CB-CE1 4.41Å
85	P	81.8	Confident	85.1	Confident	53 Å²	53	62.9 Å²	62.9	34%	0.344	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.8	8.8	-169.7	27.6	-33.1	0	0	0	116.2	S87 K88 F114	P85-S87 PolarHBondContact O-N 3.38Å; P85-K88 HydrophobicContact CB-CD 4.03Å; P85-K88 HydrophobicContact CB-CG 4.49Å; P85-K88 VanDerWaalsContact O-CB 3.24Å; P85-K88 WeakPolarHBondContact O-CB 3.18Å; P85-K88 WeakPolarHBondContact O-CG 3.39Å; P85-K88 PolarHBondContact O-N 2.87Å; P85-F114 HydrophobicContact CB-CE1 4.35Å; P85-F114 HydrophobicContact CB-CZ 4.33Å; P85-F114 HydrophobicContact CG-CE1 3.56Å; P85-F114 HydrophobicContact CG-CZ 3.78Å
86	Q	82.7	Confident	86.4	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.7	-30.8	-179.9	57.5	-88.4	34.3	0	0	111.5	N82 E84 K88 Y89 F90 F114 D149 L150	N82-Q86 HydrophobicContact CB-CG 4.34Å; N82-Q86 PolarHBondContact ND2-NE2 2.87Å; E84-Q86 PolarHBondContact O-N 3.16Å; E84-Q86 PolarHBondContact O-OE1 3.13Å; E84-Q86 PolarHBondContact OE2-NE2 2.85Å; E84-Q86 VanDerWaalsContact OE2-NE2 3.09Å; Q86-K88 PolarHBondContact O-N 2.84Å; Q86-Y89 PolarHBondContact O-N 2.77Å; Q86-F90 WeakPolarHBondContact O-CD2 3Å; Q86-F114 HydrophobicContact CB-CE1 3.83Å; Q86-F114 HydrophobicContact CB-CZ 4.03Å; Q86-F114 VanDerWaalsContact OE1-CE1 3.29Å; Q86-D149 WeakPolarHBondContact CG-O 3.36Å; Q86-D149 PolarHBondContact NE2-O 2.83Å; Q86-L150 HydrophobicContact CB-CD2 4.07Å; Q86-L150 HydrophobicContact CG-CD2 3.58Å
87	S	83.1	Confident	87.5	Confident	50 Å²	50	57.1 Å²	57.1	35%	0.35	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.4	-15.7	172.8	60.5	0	0	0	0	113.7	P85	P85-S87 PolarHBondContact O-N 3.38Å
88	K	88.1	Confident	87.9	Confident	120 Å²	120	55.7 Å²	55.7	52%	0.522	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-79.6	-21.4	174.7	-60.4	179.7	-178	175.4	0	113.4	P85 Q86 R103	P85-K88 HydrophobicContact CB-CD 4.03Å; P85-K88 HydrophobicContact CB-CG 4.49Å; P85-K88 VanDerWaalsContact O-CB 3.24Å; P85-K88 WeakPolarHBondContact O-CB 3.18Å; P85-K88 WeakPolarHBondContact O-CG 3.39Å; P85-K88 PolarHBondContact O-N 2.87Å; Q86-K88 PolarHBondContact O-N 2.84Å; K88-R103 VanDerWaalsContact O-CD 3.25Å; K88-R103 WeakPolarHBondContact O-CD 3.45Å; K88-R103 WeakPolarHBondContact O-CG 3.39Å; K88-R103 PolarHBondContact O-NE 3.45Å
89	Y	89.8	Confident	88.1	Confident	39 Å²	39	55.1 Å²	55.1	15%	0.153	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.9	-178.5	-65	-87.2	0	0	0	112.6	Q86 A102 R103 I105 L110 F114	Q86-Y89 PolarHBondContact O-N 2.77Å; Y89-A102 PolarHBondContact O-N 2.8Å; Y89-R103 HydrophobicContact CD1-CB 4.08Å; Y89-I105 HydrophobicContact CD1-CG1 4.31Å; Y89-L110 HydrophobicContact CD1-CD2 3.83Å; Y89-L110 HydrophobicContact CD2-CD2 3.91Å; Y89-L110 HydrophobicContact CE1-CD2 3.43Å; Y89-L110 VanDerWaalsContact CE1-CD2 3.43Å; Y89-L110 HydrophobicContact CE1-CG 4.48Å; Y89-L110 HydrophobicContact CE2-CD2 3.52Å; Y89-L110 HydrophobicContact CG-CD2 4.05Å; Y89-F114 HydrophobicContact CD2-CE2 4.38Å; Y89-F114 HydrophobicContact CD2-CZ 4.17Å; Y89-F114 AromaticContact CE2-CE2 3.91Å; Y89-F114 HydrophobicContact CE2-CE2 3.91Å; Y89-F114 AromaticContact CE2-CZ 3.84Å; Y89-F114 HydrophobicContact CE2-CZ 3.84Å
90	F	92.6	Very high	88.2	Confident	5 Å²	5	56 Å²	56	2%	0.022	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.9	-179.7	-57.1	-79.8	0	0	0	111.3	L13 V23 Q86 I99 R100 I105 L148 L150 V166	L13-F90 HydrophobicContact CD2-CE1 4.25Å; V23-F90 HydrophobicContact CG1-CE1 4.28Å; V23-F90 HydrophobicContact CG2-CD1 4.05Å; V23-F90 HydrophobicContact CG2-CE1 4.06Å; Q86-F90 WeakPolarHBondContact O-CD2 3Å; F90-I99 HydrophobicContact CB-CG2 3.92Å; F90-I99 HydrophobicContact CD1-CG2 4.14Å; F90-I99 HydrophobicContact CG-CG2 4.32Å; F90-R100 CarbonylContact C-O 3.57Å; F90-R100 VanDerWaalsContact CA-O 3.29Å; F90-R100 WeakPolarHBondContact CA-O 3.23Å; F90-I105 HydrophobicContact CE1-CD1 4Å; F90-I105 HydrophobicContact CZ-CD1 3.99Å; F90-L148 HydrophobicContact CE2-CB 4.43Å; F90-L148 HydrophobicContact CE2-CD1 3.89Å; F90-L148 HydrophobicContact CZ-CD1 4.17Å; F90-L150 HydrophobicContact CB-CD1 4.03Å; F90-L150 HydrophobicContact CD1-CD1 4.42Å; F90-L150 HydrophobicContact CD2-CD1 3.7Å; F90-L150 HydrophobicContact CD2-CD2 3.76Å; F90-L150 HydrophobicContact CD2-CG 4.18Å; F90-L150 HydrophobicContact CE2-CD1 4.25Å; F90-L150 HydrophobicContact CE2-CD2 4.32Å; F90-L150 HydrophobicContact CG-CD1 3.79Å; F90-V166 HydrophobicContact CE1-CG1 4.19Å; F90-V166 HydrophobicContact CE1-CG2 4.27Å; F90-V166 HydrophobicContact CZ-CB 4.1Å; F90-V166 HydrophobicContact CZ-CG1 3.9Å; F90-V166 HydrophobicContact CZ-CG2 4Å
91	H	93.4	Very high	88.3	Confident	110 Å²	110	54.5 Å²	54.5	51%	0.509	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.9	170.7	179	75.6	0	0	0	108.6	I99 R100 A102	H91-I99 CarbonylContact O-C 3.52Å; H91-I99 WeakPolarHBondContact O-CA 3.33Å; H91-R100 PolarHBondContact N-O 2.81Å; H91-R100 PolarHBondContact O-N 2.76Å; H91-A102 HydrophobicContact CB-CB 4.06Å
92	L	93.4	Very high	88.4	Confident	22 Å²	22	53 Å²	53	12%	0.115	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	172.1	171.5	67.6	0	0	0	108.9	L26 I80 A94 I99 I152	L26-L92 HydrophobicContact CD1-CD1 4.01Å; I80-L92 HydrophobicContact CD1-CB 3.86Å; I80-L92 HydrophobicContact CD1-CD2 4.42Å; I80-L92 HydrophobicContact CG1-CB 3.9Å; I80-L92 HydrophobicContact CG1-CD2 3.55Å; I80-L92 HydrophobicContact CG1-CG 4.4Å; L92-A94 PolarHBondContact O-N 2.63Å; L92-I99 HydrophobicContact CD1-CG1 3.8Å; L92-I152 HydrophobicContact CD2-CD1 4.35Å; L92-I152 HydrophobicContact CD2-CG1 4.5Å; L92-I152 HydrophobicContact CD2-CG2 3.78Å
93	D	92.3	Very high	88.6	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.262	30%	0.3	S	S	.	.			trans	-75.7	113.5	167.8	-179.5	-25	0	0	0	109.1	K95 T96 G97 I98	D93-K95 PolarHBondContact O-N 3.05Å; D93-K95 PolarHBondContact OD1-N 3.49Å; D93-T96 WeakPolarHBondContact CB-OG1 3.35Å; D93-T96 PolarHBondContact OD1-N 2.98Å; D93-T96 VanDerWaalsContact OD1-N 3.16Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.49Å; D93-T96 PolarHBondContact OD2-OG1 2.95Å; D93-G97 WeakPolarHBondContact O-CA 3.5Å; D93-G97 PolarHBondContact O-N 3.38Å; D93-I98 PolarHBondContact N-O 3.27Å
94	A	90.2	Very high	89.1	Confident	45 Å²	45	59.8 Å²	59.8	37%	0.372	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.8	-176.5	0	0	0	0	0	113.5	Y77 Y78 L92	Y77-A94 CarbonylContact C-O 3.54Å; Y77-A94 VanDerWaalsContact CA-O 3.27Å; Y77-A94 WeakPolarHBondContact CA-O 3.31Å; Y78-A94 WeakPolarHBondContact CD2-O 3.5Å; Y78-A94 PolarHBondContact N-O 2.94Å; Y78-A94 WeakPolarHBondContact O-CA 3.27Å; Y78-A94 WeakPolarHBondContact O-CB 3.39Å; L92-A94 PolarHBondContact O-N 2.63Å
95	K	87.7	Confident	89.6	Confident	186 Å²	186	56.5 Å²	56.5	81%	0.809	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-44.4	-178.8	-65.7	-177.8	179.7	-179.1	0	112	D93	D93-K95 PolarHBondContact O-N 3.05Å; D93-K95 PolarHBondContact OD1-N 3.49Å
96	T	87.7	Confident	89.6	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-23.5	-173.9	64	0	0	0	0	112.9	D93 I98	D93-T96 WeakPolarHBondContact CB-OG1 3.35Å; D93-T96 PolarHBondContact OD1-N 2.98Å; D93-T96 VanDerWaalsContact OD1-N 3.16Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.49Å; D93-T96 PolarHBondContact OD2-OG1 2.95Å; T96-I98 PolarHBondContact O-N 2.81Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.48Å; T96-I98 PolarHBondContact OG1-N 3.3Å
97	G	89.6	Confident	89.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.			trans	74.5	13.1	-173.7	0	0	0	0	0	113.2	L26 D93	L26-G97 WeakPolarHBondContact CB-O 3.39Å; L26-G97 VanDerWaalsContact CG-O 3.24Å; L26-G97 WeakPolarHBondContact CG-O 3.48Å; L26-G97 PolarHBondContact N-O 3.31Å; D93-G97 WeakPolarHBondContact O-CA 3.5Å; D93-G97 PolarHBondContact O-N 3.38Å
98	I	92.4	Very high	89.1	Confident	26 Å²	26	57.4 Å²	57.4	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.4	176.6	-61.1	173.9	0	0	0	109.1	E22 N25 D93 T96 R100	E22-I98 HydrophobicContact CG-CG2 3.77Å; N25-I98 HydrophobicContact CB-CG1 4.36Å; D93-I98 PolarHBondContact N-O 3.27Å; T96-I98 PolarHBondContact O-N 2.81Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.48Å; T96-I98 PolarHBondContact OG1-N 3.3Å; I98-R100 HydrophobicContact CG2-CG 4.04Å
99	I	93.6	Very high	88.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.1	175	-54.4	-179.8	0	0	0	108.3	V23 A24 L26 F90 H91 L92 L150 I152 V164	V23-I99 HydrophobicContact CB-CB 4.46Å; V23-I99 HydrophobicContact CB-CG2 4.21Å; V23-I99 PolarHBondContact N-O 2.48Å; A24-I99 HydrophobicContact CB-CB 4.26Å; A24-I99 HydrophobicContact CB-CD1 4.13Å; A24-I99 HydrophobicContact CB-CG1 4.38Å; A24-I99 PolarHBondContact N-O 3.01Å; A24-I99 PolarHBondContact O-N 3.31Å; L26-I99 HydrophobicContact CD1-CD1 4.37Å; L26-I99 HydrophobicContact CD2-CD1 4.27Å; L26-I99 HydrophobicContact CG-CD1 4.36Å; F90-I99 HydrophobicContact CB-CG2 3.92Å; F90-I99 HydrophobicContact CD1-CG2 4.14Å; F90-I99 HydrophobicContact CG-CG2 4.32Å; H91-I99 CarbonylContact O-C 3.52Å; H91-I99 WeakPolarHBondContact O-CA 3.33Å; L92-I99 HydrophobicContact CD1-CG1 3.8Å; I99-L150 HydrophobicContact CD1-CD1 4.3Å; I99-L150 HydrophobicContact CG2-CD1 4.18Å; I99-I152 HydrophobicContact CD1-CD1 3.45Å; I99-I152 VanDerWaalsContact CD1-CD1 3.45Å; I99-I152 HydrophobicContact CG1-CD1 4.4Å; I99-V164 HydrophobicContact CD1-CB 4.4Å; I99-V164 HydrophobicContact CD1-CG1 4.42Å; I99-V164 HydrophobicContact CD1-CG2 3.85Å
100	R	94.2	Very high	88.1	Confident	102 Å²	102	56 Å²	56	39%	0.385	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.3	177.8	-65.9	179.3	177.5	145	2.8	112	G20 R21 F90 H91 I98 A102	G20-R100 WeakPolarHBondContact O-CD 3.44Å; R21-R100 CarbonylContact O-C 3.58Å; R21-R100 WeakPolarHBondContact O-CA 3.32Å; F90-R100 CarbonylContact C-O 3.57Å; F90-R100 VanDerWaalsContact CA-O 3.29Å; F90-R100 WeakPolarHBondContact CA-O 3.23Å; H91-R100 PolarHBondContact N-O 2.81Å; H91-R100 PolarHBondContact O-N 2.76Å; I98-R100 HydrophobicContact CG2-CG 4.04Å; R100-A102 PolarHBondContact O-N 2.95Å
101	V	93	Very high	87.2	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	123.3	170.4	-178.4	0	0	0	0	109.1	L13 E17 G20 R21 V23 R103 I105	L13-V101 HydrophobicContact CD1-CG2 4.03Å; L13-V101 HydrophobicContact CD2-CG2 3.99Å; E17-V101 HydrophobicContact CB-CG2 4.49Å; E17-V101 HydrophobicContact CG-CG2 4.41Å; G20-V101 PolarHBondContact N-O 2.83Å; R21-V101 HydrophobicContact CB-CG2 4.29Å; R21-V101 PolarHBondContact O-N 3.17Å; V23-V101 HydrophobicContact CG2-CG2 3.62Å; V101-R103 WeakPolarHBondContact CG1-O 3.46Å; V101-I105 HydrophobicContact CG1-CD1 4.14Å
102	A	92.8	Very high	86.2	Confident	39 Å²	39	56.1 Å²	56.1	32%	0.322	28%	0.276	S	S	.	.			trans	-101.7	-24.8	-179.4	0	0	0	0	0	113.3	Y89 H91 R100	Y89-A102 PolarHBondContact O-N 2.8Å; H91-A102 HydrophobicContact CB-CB 4.06Å; R100-A102 PolarHBondContact O-N 2.95Å
103	R	90.7	Very high	85.2	Confident	137 Å²	137	60.2 Å²	60.2	52%	0.517	30%	0.297	S	S	.	.	S	Bend	trans	-143.5	159.4	-178.3	-64.9	-175	179.4	-177.2	-3.2	109.9	K88 Y89 V101 I105	K88-R103 VanDerWaalsContact O-CD 3.25Å; K88-R103 WeakPolarHBondContact O-CD 3.45Å; K88-R103 WeakPolarHBondContact O-CG 3.39Å; K88-R103 PolarHBondContact O-NE 3.45Å; Y89-R103 HydrophobicContact CD1-CB 4.08Å; V101-R103 WeakPolarHBondContact CG1-O 3.46Å; R103-I105 PolarHBondContact O-N 2.89Å
104	R	87.6	Confident	84.4	Confident	150 Å²	150	58 Å²	58	57%	0.566	29%	0.285	S	S	*	.			trans	-54.4	130	171.4	-177.1	175.1	172.2	119.3	4.7	109.3	E16	E16-R104 IonicContact OE1-CZ 3.64Å; E16-R104 IonicContact OE1-NH1 3.88Å; E16-R104 IonicContact OE1-NH2 2.71Å; E16-R104 PolarHBondContact OE1-NH2 3.42Å
105	I	85.4	Confident	83.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.309	C	S	.	.			trans	-98.3	140	173.6	-73	168.3	0	0	0	105.6	L13 E15 Y89 F90 V101 R103 L110 I168	L13-I105 HydrophobicContact CD2-CD1 3.18Å; L13-I105 HydrophobicContact CD2-CG1 4.48Å; E15-I105 CarbonylContact C-O 3.51Å; E15-I105 CarbonylContact O-C 3.25Å; E15-I105 VanDerWaalsContact O-C 3.25Å; E15-I105 WeakPolarHBondContact O-CB 3.43Å; Y89-I105 HydrophobicContact CD1-CG1 4.31Å; F90-I105 HydrophobicContact CE1-CD1 4Å; F90-I105 HydrophobicContact CZ-CD1 3.99Å; V101-I105 HydrophobicContact CG1-CD1 4.14Å; R103-I105 PolarHBondContact O-N 2.89Å; I105-L110 HydrophobicContact CB-CD1 4.08Å; I105-L110 HydrophobicContact CG1-CD1 4.29Å; I105-L110 HydrophobicContact CG2-CD1 3.43Å; I105-L110 VanDerWaalsContact CG2-CD1 3.43Å; I105-I168 HydrophobicContact CD1-CD1 4.49Å; I105-I168 HydrophobicContact CG2-CD1 3.79Å; I105-I168 HydrophobicContact CG2-CG1 4.1Å; I105-I168 HydrophobicContact CG2-CG2 3.76Å
106	D	81.3	Confident	82.1	Confident	27 Å²	27	59.1 Å²	59.1	14%	0.144	29%	0.288	C	S	.	.			trans	-150.1	111.7	-179.7	172.8	-31.8	0	0	0	103.6	D108 Q109 L110	D106-D108 PolarHBondContact O-N 3.34Å; D106-D108 PolarHBondContact OD1-N 2.65Å; D106-Q109 HydrophobicContact CB-CB 4.05Å; D106-Q109 HydrophobicContact CB-CG 4.09Å; D106-Q109 PolarHBondContact O-N 3.45Å; D106-Q109 PolarHBondContact OD1-N 2.83Å; D106-Q109 VanDerWaalsContact OD1-N 3.1Å; D106-Q109 VanDerWaalsContact OD2-CD 3.25Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.33Å; D106-Q109 PolarHBondContact OD2-NE2 3.44Å; D106-L110 VanDerWaalsContact O-CB 3.31Å; D106-L110 WeakPolarHBondContact O-CB 3.16Å; D106-L110 WeakPolarHBondContact O-CD1 3.11Å; D106-L110 WeakPolarHBondContact O-CG 3.34Å; D106-L110 PolarHBondContact O-N 2.93Å
107	R	80	Confident	81.2	Confident	31 Å²	31	56.8 Å²	56.8	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-40.7	-171.2	-173.6	-160.9	61.3	-157.3	-18.4	110.3	E15 Q109 L110 C111 C146 I168 D170	E15-R107 PolarHBondContact OE2-N 3.42Å; R107-Q109 VanDerWaalsContact C-N 3.33Å; R107-Q109 PolarHBondContact O-N 2.78Å; R107-L110 PolarHBondContact O-N 2.97Å; R107-C111 WeakPolarHBondContact O-CB 3.31Å; R107-C111 PolarHBondContact O-N 3.36Å; R107-C111 PolarHBondContact O-SG 2.8Å; R107-C146 HydrophobicContact CG-CB 3.55Å; R107-I168 HydrophobicContact CB-CG2 4.31Å; R107-D170 VanDerWaalsContact CZ-CB 3.44Å; R107-D170 IonicContact CZ-OD2 2.94Å; R107-D170 IonicContact NH1-OD2 2.67Å; R107-D170 PolarHBondContact NH1-OD2 2.84Å; R107-D170 IonicContact NH2-OD2 2.7Å; R107-D170 PolarHBondContact NH2-OD2 2.89Å
108	D	75.4	Confident	79.5	Confident	66 Å²	66	58.2 Å²	58.2	35%	0.353	28%	0.284	S	S	.	.	H	α-helix	trans	-74.4	-27.7	-173	-59.9	-21.6	0	0	0	111.9	D106 P112 N174	D106-D108 PolarHBondContact O-N 3.34Å; D106-D108 PolarHBondContact OD1-N 2.65Å; D108-P112 WeakPolarHBondContact O-CD 3.38Å; D108-P112 VanDerWaalsContact O-CG 3.24Å; D108-P112 WeakPolarHBondContact O-CG 3.43Å; D108-N174 PolarHBondContact OD2-OD1 2.96Å
109	Q	78	Confident	77.5	Confident	128 Å²	128	63.1 Å²	63.1	60%	0.598	32%	0.315	S	S	*	.	H	α-helix	trans	-79.6	-36.6	170	-66.4	-178.7	24.5	0	0	112.9	D106 R107 L113	D106-Q109 HydrophobicContact CB-CB 4.05Å; D106-Q109 HydrophobicContact CB-CG 4.09Å; D106-Q109 PolarHBondContact O-N 3.45Å; D106-Q109 PolarHBondContact OD1-N 2.83Å; D106-Q109 VanDerWaalsContact OD1-N 3.1Å; D106-Q109 VanDerWaalsContact OD2-CD 3.25Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.33Å; D106-Q109 PolarHBondContact OD2-NE2 3.44Å; R107-Q109 VanDerWaalsContact C-N 3.33Å; R107-Q109 PolarHBondContact O-N 2.78Å; Q109-L113 WeakPolarHBondContact O-CD1 3.29Å; Q109-L113 WeakPolarHBondContact O-CG 3.45Å
110	L	79.3	Confident	75.3	Confident	1 Å²	1	72 Å²	72	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-45.3	-176.4	-72.4	166.9	0	0	0	111.8	Y89 I105 D106 R107 L113 F114 L148	Y89-L110 HydrophobicContact CD1-CD2 3.83Å; Y89-L110 HydrophobicContact CD2-CD2 3.91Å; Y89-L110 HydrophobicContact CE1-CD2 3.43Å; Y89-L110 VanDerWaalsContact CE1-CD2 3.43Å; Y89-L110 HydrophobicContact CE1-CG 4.48Å; Y89-L110 HydrophobicContact CE2-CD2 3.52Å; Y89-L110 HydrophobicContact CG-CD2 4.05Å; I105-L110 HydrophobicContact CB-CD1 4.08Å; I105-L110 HydrophobicContact CG1-CD1 4.29Å; I105-L110 HydrophobicContact CG2-CD1 3.43Å; I105-L110 VanDerWaalsContact CG2-CD1 3.43Å; D106-L110 VanDerWaalsContact O-CB 3.31Å; D106-L110 WeakPolarHBondContact O-CB 3.16Å; D106-L110 WeakPolarHBondContact O-CD1 3.11Å; D106-L110 WeakPolarHBondContact O-CG 3.34Å; D106-L110 PolarHBondContact O-N 2.93Å; R107-L110 PolarHBondContact O-N 2.97Å; L110-L113 WeakPolarHBondContact O-CA 3.36Å; L110-L113 WeakPolarHBondContact O-CB 3.16Å; L110-L113 PolarHBondContact O-N 2.98Å; L110-F114 HydrophobicContact CB-CD2 4.3Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 HydrophobicContact CD2-CD2 4.25Å; L110-F114 HydrophobicContact CD2-CE2 3.61Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; L110-F114 PolarHBondContact O-N 3.17Å; L110-F114 VanDerWaalsContact O-N 3.17Å; L110-L148 HydrophobicContact CD1-CD1 4.25Å
111	C	73.9	Confident	72.9	Confident	16 Å²	16	71.4 Å²	71.4	11%	0.108	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-32.5	-169	-65.3	0	0	0	0	115.7	R107 L113 C117 C118 C146	R107-C111 WeakPolarHBondContact O-CB 3.31Å; R107-C111 PolarHBondContact O-N 3.36Å; R107-C111 PolarHBondContact O-SG 2.8Å; C111-L113 PolarHBondContact O-N 3.11Å; C111-C117 HydrophobicContact CB-CB 3.78Å; C111-C117 WeakPolarHBondContact CB-SG 3.39Å; C111-C117 WeakPolarHBondContact SG-CB 3.44Å; C111-C117 CovalentContact SG-SG 2.04Å; C111-C117 PolarHBondContact SG-SG 3.32Å; C111-C118 HydrophobicContact CB-CB 4.05Å; C111-C146 PolarHBondContact SG-SG 3.45Å
112	P	71.5	Confident	70.2	Confident	102 Å²	102	76.1 Å²	76.1	66%	0.662	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.1	167.7	-24.5	35.2	0	0	0	114	D108	D108-P112 WeakPolarHBondContact O-CD 3.38Å; D108-P112 VanDerWaalsContact O-CG 3.24Å; D108-P112 WeakPolarHBondContact O-CG 3.43Å
113	L	73.5	Confident	67.5	Low	107 Å²	107	81.7 Å²	81.7	56%	0.56	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-30.2	-175.7	-61.6	172.2	0	0	0	113.2	Q109 L110 C111	Q109-L113 WeakPolarHBondContact O-CD1 3.29Å; Q109-L113 WeakPolarHBondContact O-CG 3.45Å; L110-L113 WeakPolarHBondContact O-CA 3.36Å; L110-L113 WeakPolarHBondContact O-CB 3.16Å; L110-L113 PolarHBondContact O-N 2.98Å; C111-L113 PolarHBondContact O-N 3.11Å
114	F	74.3	Confident	65.1	Low	4 Å²	4	80.4 Å²	80.4	2%	0.018	41%	0.41	C	S	.	.			trans	-108.7	116.4	-175.4	-65.2	-73.2	0	0	0	110.8	E84 P85 Q86 Y89 L110 S116 C117 L148	E84-F114 HydrophobicContact CB-CD1 4.48Å; E84-F114 HydrophobicContact CB-CE1 4.41Å; P85-F114 HydrophobicContact CB-CE1 4.35Å; P85-F114 HydrophobicContact CB-CZ 4.33Å; P85-F114 HydrophobicContact CG-CE1 3.56Å; P85-F114 HydrophobicContact CG-CZ 3.78Å; Q86-F114 HydrophobicContact CB-CE1 3.83Å; Q86-F114 HydrophobicContact CB-CZ 4.03Å; Q86-F114 VanDerWaalsContact OE1-CE1 3.29Å; Y89-F114 HydrophobicContact CD2-CE2 4.38Å; Y89-F114 HydrophobicContact CD2-CZ 4.17Å; Y89-F114 AromaticContact CE2-CE2 3.91Å; Y89-F114 HydrophobicContact CE2-CE2 3.91Å; Y89-F114 AromaticContact CE2-CZ 3.84Å; Y89-F114 HydrophobicContact CE2-CZ 3.84Å; L110-F114 HydrophobicContact CB-CD2 4.3Å; L110-F114 HydrophobicContact CB-CE2 4.47Å; L110-F114 HydrophobicContact CD2-CD2 4.25Å; L110-F114 HydrophobicContact CD2-CE2 3.61Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; L110-F114 PolarHBondContact O-N 3.17Å; L110-F114 VanDerWaalsContact O-N 3.17Å; F114-S116 PolarHBondContact O-N 2.86Å; F114-S116 VanDerWaalsContact O-N 3.11Å; F114-C117 HydrophobicContact CB-CB 4.07Å; F114-C117 PolarHBondContact O-N 2.85Å; F114-L148 HydrophobicContact CB-CD2 4.23Å; F114-L148 HydrophobicContact CD1-CD2 4.47Å; F114-L148 HydrophobicContact CD2-CD2 3.56Å; F114-L148 HydrophobicContact CE2-CD2 4.06Å; F114-L148 HydrophobicContact CG-CD2 3.82Å
115	K	66.9	Low	62.7	Low	200 Å²	200	78.1 Å²	78.1	87%	0.87	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.4	177.7	-66.8	-179	-179.8	178.1	0	113.4
116	S	63.9	Low	60.7	Low	53 Å²	53	85 Å²	85	37%	0.371	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-21.3	177.7	47.9	0	0	0	0	113.2	F114	F114-S116 PolarHBondContact O-N 2.86Å; F114-S116 VanDerWaalsContact O-N 3.11Å
117	C	67	Low	58.8	Low	2 Å²	2	91.4 Å²	91.4	1%	0.014	46%	0.462	C	S	.	.	S	Bend	trans	-84.2	131.1	172.7	-173.9	0	0	0	0	109.9	C111 F114 C146	C111-C117 HydrophobicContact CB-CB 3.78Å; C111-C117 WeakPolarHBondContact CB-SG 3.39Å; C111-C117 WeakPolarHBondContact SG-CB 3.44Å; C111-C117 CovalentContact SG-SG 2.04Å; C111-C117 PolarHBondContact SG-SG 3.32Å; F114-C117 HydrophobicContact CB-CB 4.07Å; F114-C117 PolarHBondContact O-N 2.85Å; C117-C146 WeakPolarHBondContact SG-CA 3.16Å; C117-C146 WeakPolarHBondContact SG-CB 3.29Å; C117-C146 PolarHBondContact SG-SG 3.41Å
118	C	53.8	Low	57	Low	30 Å²	30	94.4 Å²	94.4	20%	0.203	48%	0.481	C	S	.	.			trans	57.3	95.2	170.8	-63.5	0	0	0	0	112.9	C111 Y120	C111-C118 HydrophobicContact CB-CB 4.05Å; C118-Y120 PolarHBondContact O-N 3.18Å
119	T	51.5	Low	55.5	Low	128 Å²	128	97.4 Å²	97.4	79%	0.785	49%	0.491	S	S	*	.			trans	-57.3	86.8	144.2	40.5	0	0	0	0	107	F121	T119-F121 PolarHBondContact O-N 2.86Å; T119-F121 VanDerWaalsContact O-N 3.08Å
120	Y	47.1	Very low	53.7	Low	188 Å²	188	98.8 Å²	98.8	74%	0.737	50%	0.502	S	S	*	.			trans	-49.8	121.7	167.4	-130	-93.9	0	0	0	104.7	C118 S122	C118-Y120 PolarHBondContact O-N 3.18Å; Y120-S122 PolarHBondContact O-N 2.79Å
121	F	43.5	Very low	52.1	Low	88 Å²	88	104.7 Å²	104.7	39%	0.386	53%	0.532	S	S	.	.			trans	-59.1	81.4	169.8	-97.7	-92.6	0	0	0	107.4	T119 N123 Y126 Q142	T119-F121 PolarHBondContact O-N 2.86Å; T119-F121 VanDerWaalsContact O-N 3.08Å; F121-N123 PolarHBondContact O-N 2.77Å; F121-Y126 HydrophobicContact CB-CE2 4.5Å; F121-Q142 HydrophobicContact CZ-CB 4.39Å
122	S	36.8	Very low	50.3	Low	101 Å²	101	111 Å²	111	71%	0.706	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	86.8	158.1	45.2	0	0	0	0	104.8	Y120	Y120-S122 PolarHBondContact O-N 2.79Å
123	N	36.6	Very low	49.2	Very low	156 Å²	156	112.5 Å²	112.5	83%	0.834	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	151.2	13.5	150.3	-71.7	-24.8	0	0	0	116	F121	F121-N123 PolarHBondContact O-N 2.77Å
124	I	40	Very low	47.5	Very low	111 Å²	111	114.3 Å²	114.3	57%	0.569	58%	0.576	S	S	*	*	S	Bend	trans	-142.2	89.7	171.2	-47	178.3	0	0	0	111.5	Y126	I124-Y126 PolarHBondContact O-N 2.85Å
125	N	36.3	Very low	45.9	Very low	101 Å²	101	120.8 Å²	120.8	54%	0.54	61%	0.611	S	S	.	*			trans	43.3	51.9	130.3	-89	-5.4	0	0	0	118	F127 N128	N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.08Å; N125-N128 HydrophobicContact CB-CB 3.98Å; N125-N128 PolarHBondContact ND2-ND2 2.87Å; N125-N128 PolarHBondContact O-N 2.71Å; N125-N128 PolarHBondContact OD1-ND2 3.45Å
126	Y	43.2	Very low	44.8	Very low	144 Å²	144	117.3 Å²	117.3	57%	0.565	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-18.2	169.7	-98.6	-95.2	0	0	0	113.1	F121 I124	F121-Y126 HydrophobicContact CB-CE2 4.5Å; I124-Y126 PolarHBondContact O-N 2.85Å
127	F	43	Very low	43.6	Very low	162 Å²	162	122.1 Å²	122.1	71%	0.711	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-10.8	171.9	-110.1	-87.4	0	0	0	115.1	N125	N125-F127 PolarHBondContact O-N 3.46Å; N125-F127 VanDerWaalsContact O-N 3.08Å
128	N	42.7	Very low	42.4	Very low	94 Å²	94	129 Å²	129	50%	0.503	66%	0.661	S	S	.	*			trans	-118	23.8	-179.5	-65.9	-38.7	0	0	0	113.6	N125 N130	N125-N128 HydrophobicContact CB-CB 3.98Å; N125-N128 PolarHBondContact ND2-ND2 2.87Å; N125-N128 PolarHBondContact O-N 2.71Å; N125-N128 PolarHBondContact OD1-ND2 3.45Å; N128-N130 PolarHBondContact O-N 2.84Å
129	K	42.8	Very low	41.7	Very low	130 Å²	130	135.6 Å²	135.6	57%	0.565	69%	0.694	S	S	*	*			trans	-78.6	54.9	179.9	-155	176.3	-178.8	-179.6	0	112.5	I131 L133	K129-I131 VanDerWaalsContact C-N 3.28Å; K129-L133 HydrophobicContact CD-CD1 4.41Å
130	N	40.3	Very low	41.1	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	69%	0.69	S	S	*	*			trans	-96	31.4	155.5	-77.4	-18.5	0	0	0	110.4	N128	N128-N130 PolarHBondContact O-N 2.84Å
131	I	44.8	Very low	40.9	Very low	124 Å²	124	134.8 Å²	134.8	64%	0.636	69%	0.692	S	S	*	*	S	Bend	trans	-116.4	90.9	-175.2	-60.8	176.5	0	0	0	108.5	K129 L133	K129-I131 VanDerWaalsContact C-N 3.28Å; I131-L133 PolarHBondContact O-N 2.97Å; I131-L133 VanDerWaalsContact O-N 3.17Å
132	N	36	Very low	41.1	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	71%	0.705	S	S	*	*			trans	21.9	80.5	146.9	-57.8	-24.6	0	0	0	116.4	L134	N132-L134 PolarHBondContact O-N 3.34Å
133	L	49.4	Very low	41.7	Very low	134 Å²	134	138.8 Å²	138.8	70%	0.702	70%	0.704	S	S	*	*			trans	-81.4	35.9	159.6	-89.8	123.9	0	0	0	112.2	K129 I131	K129-L133 HydrophobicContact CD-CD1 4.41Å; I131-L133 PolarHBondContact O-N 2.97Å; I131-L133 VanDerWaalsContact O-N 3.17Å
134	L	37.8	Very low	42.8	Very low	145 Å²	145	134.3 Å²	134.3	76%	0.759	68%	0.682	S	S	*	*			trans	-128.8	76.4	172.7	-160.8	84.5	0	0	0	106.9	N132	N132-L134 PolarHBondContact O-N 3.34Å
135	N	41.4	Very low	44.1	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	68%	0.68	S	S	*	*			trans	-177.2	127.9	149.6	-95.1	-20.7	0	0	0	112.9
136	N	42.4	Very low	46.1	Very low	127 Å²	127	128.9 Å²	128.9	68%	0.679	66%	0.655	S	S	*	*			trans	75.7	94.4	148.4	-61.6	-21.3	0	0	0	118.2	N138	N136-N138 PolarHBondContact O-N 2.89Å; N136-N138 VanDerWaalsContact O-N 3.13Å
137	N	38.4	Very low	48.1	Very low	154 Å²	154	124.2 Å²	124.2	82%	0.824	64%	0.638	S	S	*	*				30.2	76.3	129.4	-63	-11.5	0	0	0	115.2
138	N	43.1	Very low	50.2	Low	148 Å²	148	116.6 Å²	116.6	79%	0.791	61%	0.605	S	S	*	*			trans	-161.5	120.2	155.5	-81.7	-38.8	0	0	0	107.8	N136 N140	N136-N138 PolarHBondContact O-N 2.89Å; N136-N138 VanDerWaalsContact O-N 3.13Å; N138-N140 VanDerWaalsContact C-N 3.28Å; N138-N140 PolarHBondContact O-N 2.78Å
139	N	39	Very low	52.4	Low	167 Å²	167	114.1 Å²	114.1	89%	0.893	59%	0.592	S	S	*	*			trans	-69	56.9	-163.9	-59.6	-36	0	0	0	115.8
140	N	38.5	Very low	54.7	Low	133 Å²	133	108 Å²	108	71%	0.711	57%	0.565	S	S	*	*			trans	-131.4	53.3	179.2	-65.3	-24.6	0	0	0	112.2	N138 Q142	N138-N140 VanDerWaalsContact C-N 3.28Å; N138-N140 PolarHBondContact O-N 2.78Å; N140-Q142 PolarHBondContact O-N 3.43Å
141	E	42.1	Very low	57.1	Low	167 Å²	167	102.8 Å²	102.8	78%	0.78	54%	0.537	S	S	*	.			trans	-71.7	76.7	154.3	-75	-176.9	160.5	0	0	108	L143	E141-L143 PolarHBondContact O-N 3.46Å
142	Q	48.8	Very low	59.3	Low	142 Å²	142	96.9 Å²	96.9	66%	0.664	51%	0.507	S	S	*	.			trans	-72.6	81.2	173.7	-99.3	174.5	-21.9	0	0	109.2	F121 N140 V144	F121-Q142 HydrophobicContact CZ-CB 4.39Å; N140-Q142 PolarHBondContact O-N 3.43Å; Q142-V144 PolarHBondContact O-N 3.13Å
143	L	49.6	Very low	61.8	Low	131 Å²	131	91.2 Å²	91.2	69%	0.686	47%	0.474	S	S	*	.			trans	-48.8	123.1	169	-80.3	133.4	0	0	0	110.1	E141 N145	E141-L143 PolarHBondContact O-N 3.46Å; L143-N145 WeakPolarHBondContact CB-OD1 3.42Å; L143-N145 PolarHBondContact O-N 3.35Å
144	V	58.7	Low	63.5	Low	61 Å²	61	85 Å²	85	37%	0.37	44%	0.442	S	S	.	.			trans	-67.7	79.8	173.1	-78.8	0	0	0	0	109.8	Q142 C146	Q142-V144 PolarHBondContact O-N 3.13Å; V144-C146 PolarHBondContact O-N 2.82Å
145	N	67.5	Low	65.7	Low	97 Å²	97	79.5 Å²	79.5	52%	0.519	41%	0.413	S	S	.	.			trans	-79.5	120.9	-176.8	-68.8	-14.2	0	0	0	110.6	L143	L143-N145 WeakPolarHBondContact CB-OD1 3.42Å; L143-N145 PolarHBondContact O-N 3.35Å
146	C	79.6	Confident	67.7	Low	2 Å²	2	77.4 Å²	77.4	1%	0.014	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.3	165.6	172.2	0	0	0	0	109.1	R107 C111 C117 V144 H167 I168	R107-C146 HydrophobicContact CG-CB 3.55Å; C111-C146 PolarHBondContact SG-SG 3.45Å; C117-C146 WeakPolarHBondContact SG-CA 3.16Å; C117-C146 WeakPolarHBondContact SG-CB 3.29Å; C117-C146 PolarHBondContact SG-SG 3.41Å; V144-C146 PolarHBondContact O-N 2.82Å; C146-H167 CarbonylContact O-C 3.54Å; C146-H167 VanDerWaalsContact O-CA 3.29Å; C146-H167 WeakPolarHBondContact O-CA 3.34Å; C146-I168 HydrophobicContact CB-CB 3.96Å; C146-I168 PolarHBondContact O-N 2.79Å; C146-I168 WeakPolarHBondContact SG-CB 3.38Å; C146-I168 WeakPolarHBondContact SG-CG1 3.29Å
147	Q	84.6	Confident	69.6	Low	46 Å²	46	78.8 Å²	78.8	22%	0.215	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.9	179.8	-174.1	-173.3	-53.7	0	0	109.9	D149 S165 V166 H167	Q147-D149 PolarHBondContact NE2-OD1 3.17Å; Q147-D149 PolarHBondContact NE2-OD2 2.94Å; Q147-S165 PolarHBondContact NE2-OG 3.17Å; Q147-V166 CarbonylContact C-O 3.54Å; Q147-V166 WeakPolarHBondContact CA-O 3.5Å; Q147-H167 PolarHBondContact OE1-CE1 3.1Å
148	L	87.1	Confident	71.7	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	172.3	-58	179.9	0	0	0	109.2	F90 L110 F114 V166 I168	F90-L148 HydrophobicContact CE2-CB 4.43Å; F90-L148 HydrophobicContact CE2-CD1 3.89Å; F90-L148 HydrophobicContact CZ-CD1 4.17Å; L110-L148 HydrophobicContact CD1-CD1 4.25Å; F114-L148 HydrophobicContact CB-CD2 4.23Å; F114-L148 HydrophobicContact CD1-CD2 4.47Å; F114-L148 HydrophobicContact CD2-CD2 3.56Å; F114-L148 HydrophobicContact CE2-CD2 4.06Å; F114-L148 HydrophobicContact CG-CD2 3.82Å; L148-V166 PolarHBondContact N-O 3.29Å; L148-V166 PolarHBondContact O-N 3.21Å; L148-I168 HydrophobicContact CD1-CD1 4.39Å; L148-I168 HydrophobicContact CD1-CG1 4.36Å; L148-I168 HydrophobicContact CG-CG1 4.46Å
149	D	88	Confident	73.5	Confident	43 Å²	43	73 Å²	73	23%	0.23	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.2	-180	-67.9	-33.2	0	0	0	111.4	N82 Q86 Q147 T163 V164 S165	N82-D149 PolarHBondContact ND2-O 3.48Å; Q86-D149 WeakPolarHBondContact CG-O 3.36Å; Q86-D149 PolarHBondContact NE2-O 2.83Å; Q147-D149 PolarHBondContact NE2-OD1 3.17Å; Q147-D149 PolarHBondContact NE2-OD2 2.94Å; D149-T163 HydrophobicContact CB-CG2 4.48Å; D149-V164 WeakPolarHBondContact CA-O 3.21Å; D149-S165 WeakPolarHBondContact OD1-CA 3.17Å; D149-S165 VanDerWaalsContact OD1-CB 3.27Å; D149-S165 WeakPolarHBondContact OD1-CB 3.33Å; D149-S165 PolarHBondContact OD1-OG 2.89Å
150	L	90.6	Very high	75.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117	172.2	-54.3	172.2	0	0	0	109.6	N82 Q86 F90 I99 I152 T163 V164 V166	N82-L150 WeakPolarHBondContact OD1-CA 3.48Å; Q86-L150 HydrophobicContact CB-CD2 4.07Å; Q86-L150 HydrophobicContact CG-CD2 3.58Å; F90-L150 HydrophobicContact CB-CD1 4.03Å; F90-L150 HydrophobicContact CD1-CD1 4.42Å; F90-L150 HydrophobicContact CD2-CD1 3.7Å; F90-L150 HydrophobicContact CD2-CD2 3.76Å; F90-L150 HydrophobicContact CD2-CG 4.18Å; F90-L150 HydrophobicContact CE2-CD1 4.25Å; F90-L150 HydrophobicContact CE2-CD2 4.32Å; F90-L150 HydrophobicContact CG-CD1 3.79Å; I99-L150 HydrophobicContact CD1-CD1 4.3Å; I99-L150 HydrophobicContact CG2-CD1 4.18Å; L150-I152 HydrophobicContact CB-CD1 4.27Å; L150-I152 HydrophobicContact CB-CG1 4.36Å; L150-T163 CarbonylContact O-C 3.51Å; L150-T163 WeakPolarHBondContact O-CA 2.97Å; L150-V164 HydrophobicContact CB-CB 4.25Å; L150-V164 PolarHBondContact N-O 2.93Å; L150-V164 PolarHBondContact O-N 3.32Å; L150-V166 HydrophobicContact CD1-CG2 4.34Å
151	N	91.2	Very high	77.9	Confident	48 Å²	48	63.1 Å²	63.1	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.7	174.9	-65.1	-35	0	0	0	109	I80 F81 N82 T163	I80-N151 WeakPolarHBondContact CA-O 3.5Å; F81-N151 HydrophobicContact CD1-CB 4.26Å; F81-N151 WeakPolarHBondContact CD1-O 3.27Å; F81-N151 HydrophobicContact CD2-CB 4.27Å; F81-N151 VanDerWaalsContact CE1-C 3.41Å; F81-N151 HydrophobicContact CE1-CB 3.79Å; F81-N151 HydrophobicContact CE2-CB 3.79Å; F81-N151 HydrophobicContact CG-CB 4.49Å; F81-N151 HydrophobicContact CZ-CB 3.54Å; F81-N151 PolarHBondContact N-O 3.09Å; N82-N151 PolarHBondContact ND2-N 3.19Å; N82-N151 PolarHBondContact OD1-N 3.11Å; N82-N151 PolarHBondContact OD1-O 3.26Å; N151-T163 WeakPolarHBondContact OD1-CG2 3.39Å; N151-T163 PolarHBondContact OD1-OG1 2.7Å
152	I	91.3	Very high	80.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.8	-168.6	-54.8	175.4	0	0	0	109.1	L26 Y78 Q79 I80 L92 I99 L150 I161 I162 V164	L26-I152 HydrophobicContact CD1-CB 4.31Å; L26-I152 HydrophobicContact CD1-CD1 3.67Å; L26-I152 HydrophobicContact CD1-CG2 3.73Å; Y78-I152 HydrophobicContact CD1-CG2 4.37Å; Q79-I152 WeakPolarHBondContact O-CA 3.47Å; I80-I152 HydrophobicContact CG1-CG1 4.19Å; L92-I152 HydrophobicContact CD2-CD1 4.35Å; L92-I152 HydrophobicContact CD2-CG1 4.5Å; L92-I152 HydrophobicContact CD2-CG2 3.78Å; I99-I152 HydrophobicContact CD1-CD1 3.45Å; I99-I152 VanDerWaalsContact CD1-CD1 3.45Å; I99-I152 HydrophobicContact CG1-CD1 4.4Å; L150-I152 HydrophobicContact CB-CD1 4.27Å; L150-I152 HydrophobicContact CB-CG1 4.36Å; I152-I161 WeakPolarHBondContact O-CA 3.25Å; I152-I162 PolarHBondContact N-O 3.08Å; I152-I162 PolarHBondContact O-N 2.64Å; I152-V164 HydrophobicContact CD1-CG2 3.98Å
153	R	89.5	Confident	82.1	Confident	30 Å²	30	49.9 Å²	49.9	11%	0.113	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.5	171.3	69.7	-172.5	-174.7	152.5	0.9	109.6	Y77 Y78 Q79 F81 D155 D156 Y158 N160	Y77-R153 PolarHBondContact OH-NE 3.15Å; Y77-R153 PolarHBondContact OH-NH2 3.04Å; Y78-R153 CarbonylContact C-O 3.12Å; Y78-R153 VanDerWaalsContact CA-O 3.32Å; Y78-R153 WeakPolarHBondContact CA-O 3.43Å; Q79-R153 HydrophobicContact CB-CG 4.12Å; Q79-R153 PolarHBondContact N-O 2.04Å; Q79-R153 PolarHBondContact O-N 3.32Å; Q79-R153 VanDerWaalsContact OE1-CZ 3.3Å; F81-R153 HydrophobicContact CD1-CB 4.11Å; F81-R153 HydrophobicContact CD1-CG 4.39Å; F81-R153 HydrophobicContact CE1-CB 4.2Å; R153-D155 WeakPolarHBondContact CD-O 3.31Å; R153-D156 IonicContact CZ-OD1 3.74Å; R153-D156 PolarHBondContact NH1-O 3.41Å; R153-D156 IonicContact NH1-OD1 3.96Å; R153-D156 IonicContact NH2-OD1 3.92Å; R153-Y158 HydrophobicContact CB-CD1 3.96Å; R153-Y158 HydrophobicContact CB-CE1 4.25Å; R153-Y158 HydrophobicContact CG-CE1 4.39Å; R153-Y158 VanDerWaalsContact NH1-CZ 3.28Å; R153-Y158 PolarHBondContact NH1-OH 3.02Å; R153-N160 WeakPolarHBondContact CA-O 3.45Å
154	S	84.6	Confident	84.1	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.223	C	C	.	.	S	Bend	trans	-100.3	-2.6	172.4	69.6	0	0	0	0	113.9	Y77 N160	Y77-S154 PolarHBondContact N-O 2.7Å; Y77-S154 CarbonylContact O-C 3.51Å; Y77-S154 VanDerWaalsContact O-CA 3.3Å; Y77-S154 WeakPolarHBondContact O-CA 3.07Å; Y77-S154 VanDerWaalsContact O-O 3.13Å; S154-N160 PolarHBondContact N-O 2.71Å; S154-N160 VanDerWaalsContact N-O 3.16Å; S154-N160 WeakPolarHBondContact OG-CB 3.35Å
155	D	82.8	Confident	85.5	Confident	31 Å²	31	40.8 Å²	40.8	17%	0.166	21%	0.206	C	C	.	.	S	Bend	trans	-152.3	164.9	179.8	66	69.8	0	0	0	111.6	R153 Q157 Y158 T159 N160	R153-D155 WeakPolarHBondContact CD-O 3.31Å; D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.02Å; D155-Q157 VanDerWaalsContact OD1-CA 3.23Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.1Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q157 PolarHBondContact OD1-N 2.67Å; D155-Y158 PolarHBondContact O-N 2.93Å; D155-Y158 PolarHBondContact OD1-N 3.22Å; D155-T159 PolarHBondContact OD1-N 2.91Å; D155-T159 WeakPolarHBondContact OD2-CB 3.24Å; D155-T159 PolarHBondContact OD2-N 3.45Å; D155-T159 PolarHBondContact OD2-OG1 3.3Å; D155-N160 PolarHBondContact OD2-N 3.43Å
156	D	83.6	Confident	86.5	Confident	95 Å²	95	36.2 Å²	36.2	51%	0.508	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.9	179.6	-77.1	-50.9	0	0	0	114.2	Y77 R153 Y158	Y77-D156 HydrophobicContact CE1-CB 4.49Å; Y77-D156 WeakPolarHBondContact OH-CA 3.36Å; Y77-D156 VanDerWaalsContact OH-CG 3.23Å; Y77-D156 PolarHBondContact OH-OD1 2.96Å; R153-D156 IonicContact CZ-OD1 3.74Å; R153-D156 PolarHBondContact NH1-O 3.41Å; R153-D156 IonicContact NH1-OD1 3.96Å; R153-D156 IonicContact NH2-OD1 3.92Å; D156-Y158 VanDerWaalsContact C-N 3.31Å; D156-Y158 WeakPolarHBondContact O-CD2 3.41Å
157	Q	83.6	Confident	86.8	Confident	157 Å²	157	37.6 Å²	37.6	73%	0.734	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	4.1	-174.9	-59.2	-57.3	-58.7	0	0	112.3	D155 T159	D155-Q157 VanDerWaalsContact C-N 3.26Å; D155-Q157 PolarHBondContact O-N 3.02Å; D155-Q157 VanDerWaalsContact OD1-CA 3.23Å; D155-Q157 WeakPolarHBondContact OD1-CA 3.1Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.31Å; D155-Q157 PolarHBondContact OD1-N 2.67Å; Q157-T159 HydrophobicContact CB-CG2 3.73Å; Q157-T159 PolarHBondContact O-N 2.64Å
158	Y	82.3	Confident	86.9	Confident	104 Å²	104	35.8 Å²	35.8	41%	0.408	18%	0.179	S	C	.	.			trans	53.4	31	-176.3	-61.9	-98	0	0	0	113.2	F81 R153 D155 D156 N160	F81-Y158 HydrophobicContact CB-CE1 4.45Å; F81-Y158 HydrophobicContact CD1-CE1 4.12Å; F81-Y158 HydrophobicContact CD2-CE1 4.19Å; F81-Y158 HydrophobicContact CE1-CD1 4.41Å; F81-Y158 HydrophobicContact CE1-CE1 4.38Å; F81-Y158 HydrophobicContact CE2-CE1 4.46Å; F81-Y158 HydrophobicContact CG-CE1 4.02Å; F81-Y158 HydrophobicContact CZ-CD1 4.5Å; R153-Y158 HydrophobicContact CB-CD1 3.96Å; R153-Y158 HydrophobicContact CB-CE1 4.25Å; R153-Y158 HydrophobicContact CG-CE1 4.39Å; R153-Y158 VanDerWaalsContact NH1-CZ 3.28Å; R153-Y158 PolarHBondContact NH1-OH 3.02Å; D155-Y158 PolarHBondContact O-N 2.93Å; D155-Y158 PolarHBondContact OD1-N 3.22Å; D156-Y158 VanDerWaalsContact C-N 3.31Å; D156-Y158 WeakPolarHBondContact O-CD2 3.41Å; Y158-N160 VanDerWaalsContact C-N 3.29Å; Y158-N160 PolarHBondContact O-N 2.77Å
159	T	81.1	Confident	86.6	Confident	75 Å²	75	38.9 Å²	38.9	46%	0.46	20%	0.195	S	C	.	.			trans	-71.7	-28.9	-177	74.9	0	0	0	0	112.5	S4 D155 Q157	S4-T159 WeakPolarHBondContact CB-O 3.21Å; S4-T159 PolarHBondContact OG-O 3.05Å; D155-T159 PolarHBondContact OD1-N 2.91Å; D155-T159 WeakPolarHBondContact OD2-CB 3.24Å; D155-T159 PolarHBondContact OD2-N 3.45Å; D155-T159 PolarHBondContact OD2-OG1 3.3Å; Q157-T159 HydrophobicContact CB-CG2 3.73Å; Q157-T159 PolarHBondContact O-N 2.64Å
160	N	81.4	Confident	86	Confident	45 Å²	45	38.7 Å²	38.7	24%	0.241	19%	0.194	C	C	.	.	S	Bend	trans	-121.9	106.1	174	-96.6	-52	0	0	0	109.7	R153 S154 D155 Y158	R153-N160 WeakPolarHBondContact CA-O 3.45Å; S154-N160 PolarHBondContact N-O 2.71Å; S154-N160 VanDerWaalsContact N-O 3.16Å; S154-N160 WeakPolarHBondContact OG-CB 3.35Å; D155-N160 PolarHBondContact OD2-N 3.43Å; Y158-N160 VanDerWaalsContact C-N 3.29Å; Y158-N160 PolarHBondContact O-N 2.77Å
161	I	87.3	Confident	84.9	Confident	48 Å²	48	43.2 Å²	43.2	25%	0.246	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.6	173.2	-62	171.5	0	0	0	108.5	L6 K7 F81 I152	L6-I161 HydrophobicContact CD2-CB 4.14Å; L6-I161 HydrophobicContact CD2-CG2 4.12Å; K7-I161 PolarHBondContact N-O 3.48Å; F81-I161 HydrophobicContact CE1-CG2 4.08Å; F81-I161 HydrophobicContact CZ-CD1 4.4Å; F81-I161 HydrophobicContact CZ-CG1 4.4Å; F81-I161 HydrophobicContact CZ-CG2 3.82Å; I152-I161 WeakPolarHBondContact O-CA 3.25Å
162	I	89	Confident	83.7	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.4	176.1	-52.6	166.3	0	0	0	108.1	K7 L26 L29 Y78 I152 V164	K7-I162 HydrophobicContact CB-CG1 4.18Å; K7-I162 HydrophobicContact CB-CG2 4.36Å; K7-I162 HydrophobicContact CD-CG1 4.49Å; K7-I162 CarbonylContact O-C 3.57Å; K7-I162 VanDerWaalsContact O-CA 3.3Å; K7-I162 WeakPolarHBondContact O-CA 3.21Å; L26-I162 HydrophobicContact CB-CD1 4.24Å; L26-I162 HydrophobicContact CD1-CD1 4.35Å; L26-I162 HydrophobicContact CD2-CD1 4.35Å; L26-I162 HydrophobicContact CD2-CG2 3.99Å; L29-I162 HydrophobicContact CB-CD1 4.49Å; L29-I162 HydrophobicContact CD2-CG2 4.25Å; Y78-I162 HydrophobicContact CE1-CD1 4.39Å; I152-I162 PolarHBondContact N-O 3.08Å; I152-I162 PolarHBondContact O-N 2.64Å; I162-V164 HydrophobicContact CG2-CG2 4.25Å
163	T	90.3	Very high	82.1	Confident	30 Å²	30	50.9 Å²	50.9	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.1	171.4	-62.3	0	0	0	0	109.2	K7 K8 L9 D149 L150 N151	K7-T163 PolarHBondContact O-N 3.31Å; K8-T163 CarbonylContact C-O 3.59Å; K8-T163 VanDerWaalsContact CA-O 3.31Å; K8-T163 WeakPolarHBondContact CA-O 3.48Å; L9-T163 PolarHBondContact N-O 2.91Å; D149-T163 HydrophobicContact CB-CG2 4.48Å; L150-T163 CarbonylContact O-C 3.51Å; L150-T163 WeakPolarHBondContact O-CA 2.97Å; N151-T163 WeakPolarHBondContact OD1-CG2 3.39Å; N151-T163 PolarHBondContact OD1-OG1 2.7Å
164	V	90.8	Very high	80.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.7	173.9	-174	0	0	0	0	108.8	L9 V11 A24 L26 I99 D149 L150 I152 I162 V166	L9-V164 HydrophobicContact CB-CG1 4.5Å; L9-V164 HydrophobicContact CB-CG2 4.33Å; L9-V164 HydrophobicContact CD2-CG1 4.26Å; L9-V164 HydrophobicContact CD2-CG2 4.39Å; L9-V164 CarbonylContact O-C 3.55Å; L9-V164 VanDerWaalsContact O-CA 3.32Å; L9-V164 WeakPolarHBondContact O-CA 3.18Å; V11-V164 HydrophobicContact CG2-CG1 4.06Å; A24-V164 HydrophobicContact CB-CG1 4.43Å; L26-V164 HydrophobicContact CD2-CG2 3.79Å; I99-V164 HydrophobicContact CD1-CB 4.4Å; I99-V164 HydrophobicContact CD1-CG1 4.42Å; I99-V164 HydrophobicContact CD1-CG2 3.85Å; D149-V164 WeakPolarHBondContact CA-O 3.21Å; L150-V164 HydrophobicContact CB-CB 4.25Å; L150-V164 PolarHBondContact N-O 2.93Å; L150-V164 PolarHBondContact O-N 3.32Å; I152-V164 HydrophobicContact CD1-CG2 3.98Å; I162-V164 HydrophobicContact CG2-CG2 4.25Å; V164-V166 HydrophobicContact CG1-CG2 4.03Å
165	S	89.2	Confident	79.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.7	174.9	-67.4	0	0	0	0	109.6	K8 L9 N10 V11 Q147 D149	K8-S165 WeakPolarHBondContact CE-OG 3.45Å; L9-S165 PolarHBondContact O-N 2.85Å; N10-S165 WeakPolarHBondContact CA-O 3.3Å; V11-S165 PolarHBondContact N-O 3.11Å; Q147-S165 PolarHBondContact NE2-OG 3.17Å; D149-S165 WeakPolarHBondContact OD1-CA 3.17Å; D149-S165 VanDerWaalsContact OD1-CB 3.27Å; D149-S165 WeakPolarHBondContact OD1-CB 3.33Å; D149-S165 PolarHBondContact OD1-OG 2.89Å
166	V	89.2	Confident	77.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.5	179.2	-169.9	0	0	0	0	109.1	V11 L13 V23 F90 Q147 L148 L150 V164 I168	V11-V166 CarbonylContact O-C 3.49Å; V11-V166 WeakPolarHBondContact O-CA 3.27Å; L13-V166 HydrophobicContact CB-CG1 3.8Å; L13-V166 HydrophobicContact CD2-CG1 4.4Å; V23-V166 HydrophobicContact CG1-CG1 4.19Å; V23-V166 HydrophobicContact CG1-CG2 4.11Å; F90-V166 HydrophobicContact CE1-CG1 4.19Å; F90-V166 HydrophobicContact CE1-CG2 4.27Å; F90-V166 HydrophobicContact CZ-CB 4.1Å; F90-V166 HydrophobicContact CZ-CG1 3.9Å; F90-V166 HydrophobicContact CZ-CG2 4Å; Q147-V166 CarbonylContact C-O 3.54Å; Q147-V166 WeakPolarHBondContact CA-O 3.5Å; L148-V166 PolarHBondContact N-O 3.29Å; L148-V166 PolarHBondContact O-N 3.21Å; L150-V166 HydrophobicContact CD1-CG2 4.34Å; V164-V166 HydrophobicContact CG1-CG2 4.03Å; V166-I168 HydrophobicContact CG1-CD1 3.87Å
167	H	86	Confident	76.6	Confident	31 Å²	31	62.8 Å²	62.8	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.8	174	-68	-89.7	0	0	0	109.8	V11 H12 L13 C146 Q147 I169	V11-H167 PolarHBondContact O-N 2.9Å; H12-H167 WeakPolarHBondContact CA-O 3.36Å; L13-H167 PolarHBondContact N-O 3.47Å; C146-H167 CarbonylContact O-C 3.54Å; C146-H167 VanDerWaalsContact O-CA 3.29Å; C146-H167 WeakPolarHBondContact O-CA 3.34Å; Q147-H167 PolarHBondContact OE1-CE1 3.1Å; H167-I169 PolarHBondContact O-N 3.25Å
168	I	85.6	Confident	75.2	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	112.5	175.5	-47.5	-54.9	0	0	0	108.3	L13 E15 I105 R107 C146 L148 V166	L13-I168 HydrophobicContact CB-CD1 3.99Å; L13-I168 HydrophobicContact CD2-CD1 4Å; L13-I168 CarbonylContact O-C 3.44Å; L13-I168 VanDerWaalsContact O-CA 3.29Å; L13-I168 WeakPolarHBondContact O-CA 3.4Å; E15-I168 HydrophobicContact CB-CG2 3.84Å; I105-I168 HydrophobicContact CD1-CD1 4.49Å; I105-I168 HydrophobicContact CG2-CD1 3.79Å; I105-I168 HydrophobicContact CG2-CG1 4.1Å; I105-I168 HydrophobicContact CG2-CG2 3.76Å; R107-I168 HydrophobicContact CB-CG2 4.31Å; C146-I168 HydrophobicContact CB-CB 3.96Å; C146-I168 PolarHBondContact O-N 2.79Å; C146-I168 WeakPolarHBondContact SG-CB 3.38Å; C146-I168 WeakPolarHBondContact SG-CG1 3.29Å; L148-I168 HydrophobicContact CD1-CD1 4.39Å; L148-I168 HydrophobicContact CD1-CG1 4.36Å; L148-I168 HydrophobicContact CG-CG1 4.46Å; V166-I168 HydrophobicContact CG1-CD1 3.87Å
169	I	81	Confident	73.8	Confident	67 Å²	67	62.5 Å²	62.5	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.1	173.8	-59.3	177.4	0	0	0	107.2	H12 L13 F14 E15 H167 I171	H12-I169 HydrophobicContact CB-CD1 3.73Å; H12-I169 HydrophobicContact CB-CG1 4.37Å; L13-I169 PolarHBondContact O-N 3.26Å; F14-I169 WeakPolarHBondContact CA-O 3.24Å; F14-I169 HydrophobicContact CD1-CB 3.85Å; F14-I169 HydrophobicContact CD1-CD1 4.46Å; F14-I169 HydrophobicContact CD1-CG2 3.97Å; F14-I169 HydrophobicContact CE1-CB 4.2Å; F14-I169 HydrophobicContact CE1-CD1 4.09Å; F14-I169 HydrophobicContact CE1-CG2 4.05Å; E15-I169 PolarHBondContact N-O 3.03Å; E15-I169 VanDerWaalsContact N-O 3.13Å; H167-I169 PolarHBondContact O-N 3.25Å; I169-I171 HydrophobicContact CG2-CG2 4.35Å; I169-I171 PolarHBondContact O-N 3.14Å
170	D	75.7	Confident	72.6	Confident	39 Å²	39	65 Å²	65	21%	0.209	35%	0.347	C	S	.	.			trans	-75.9	117.9	168.6	177.8	21.4	0	0	0	110	R107 N172	R107-D170 VanDerWaalsContact CZ-CB 3.44Å; R107-D170 IonicContact CZ-OD2 2.94Å; R107-D170 IonicContact NH1-OD2 2.67Å; R107-D170 PolarHBondContact NH1-OD2 2.84Å; R107-D170 IonicContact NH2-OD2 2.7Å; R107-D170 PolarHBondContact NH2-OD2 2.89Å; D170-N172 VanDerWaalsContact OD1-C 3.28Å; D170-N172 PolarHBondContact OD1-N 3.32Å
171	I	68	Low	70.7	Confident	94 Å²	94	68.4 Å²	68.4	48%	0.482	37%	0.365	S	S	.	.			trans	-97.8	-11	177.9	56.7	171.1	0	0	0	112.1	F14 E15 E16 I169	F14-I171 HydrophobicContact CB-CD1 4.38Å; F14-I171 HydrophobicContact CB-CG2 4.11Å; F14-I171 HydrophobicContact CD1-CG2 3.22Å; F14-I171 HydrophobicContact CE1-CG2 3.83Å; F14-I171 HydrophobicContact CG-CG2 3.9Å; E15-I171 HydrophobicContact CG-CG1 4.12Å; E16-I171 HydrophobicContact CB-CD1 4.46Å; I169-I171 HydrophobicContact CG2-CG2 4.35Å; I169-I171 PolarHBondContact O-N 3.14Å
172	N	65.2	Low	68.9	Low	57 Å²	57	71.9 Å²	71.9	31%	0.305	39%	0.394	S	S	.	.	S	Bend	trans	-118.1	110.4	173.7	64.4	58.8	0	0	0	109.9	E15 D170 N174	E15-N172 VanDerWaalsContact OE1-CG 3.31Å; E15-N172 PolarHBondContact OE1-ND2 2.82Å; E15-N172 PolarHBondContact OE1-OD1 3.26Å; D170-N172 VanDerWaalsContact OD1-C 3.28Å; D170-N172 PolarHBondContact OD1-N 3.32Å; N172-N174 VanDerWaalsContact C-N 3.29Å; N172-N174 PolarHBondContact O-N 2.88Å
173	D	58.2	Low	67.3	Low	152 Å²	152	81 Å²	81	81%	0.813	43%	0.433	S	S	*	.			trans	-61.4	95.9	165.6	52.8	-29.1	0	0	0	109
174	N	57.6	Low	65.7	Low	91 Å²	91	83.7 Å²	83.7	49%	0.487	45%	0.45	S	S	.	.			trans	15.3	125.6	169.1	-77.1	-78.2	0	0	0	116.2	D108 N172	D108-N174 PolarHBondContact OD2-OD1 2.96Å; N172-N174 VanDerWaalsContact C-N 3.29Å; N172-N174 PolarHBondContact O-N 2.88Å
175	S	57.1	Low	63.9	Low	109 Å²	109	86.9 Å²	86.9	76%	0.762	48%	0.483	S	S	*	.	S	Bend	trans	-32	128.9	170.3	-73.9	0	0	0	0	112.2	I177	S175-I177 PolarHBondContact O-N 3.08Å
176	P	53.6	Low	61.9	Low	88 Å²	88	93.9 Å²	93.9	57%	0.571	51%	0.513	S	S	*	.			trans	-52.1	130.5	-169.9	17.7	-30.9	0	0	0	111.3	W178	P176-W178 HydrophobicContact CB-CZ2 4.37Å; P176-W178 HydrophobicContact CG-CZ2 3.85Å; P176-W178 PolarHBondContact O-N 3.45Å; P176-W178 PolarHBondContact O-NE1 3.41Å
177	I	57.2	Low	60.2	Low	121 Å²	121	97.8 Å²	97.8	62%	0.621	53%	0.534	S	S	*	.			trans	-74.9	111.5	173.8	-57.6	171.3	0	0	0	107.5	S175 L179	S175-I177 PolarHBondContact O-N 3.08Å; I177-L179 PolarHBondContact O-N 2.92Å
178	W	53.7	Low	58.5	Low	123 Å²	123	102.9 Å²	102.9	47%	0.466	56%	0.562	S	S	.	*			trans	-83.4	111	172.6	-54.5	92.1	0	0	0	109.5	P176 L180 L187 F189	P176-W178 HydrophobicContact CB-CZ2 4.37Å; P176-W178 HydrophobicContact CG-CZ2 3.85Å; P176-W178 PolarHBondContact O-N 3.45Å; P176-W178 PolarHBondContact O-NE1 3.41Å; W178-L180 PolarHBondContact O-N 3.25Å; W178-L187 HydrophobicContact CB-CD2 3.82Å; W178-L187 HydrophobicContact CD2-CD2 4.29Å; W178-L187 HydrophobicContact CE3-CD2 4.09Å; W178-L187 HydrophobicContact CG-CD2 4.21Å; W178-F189 HydrophobicContact CE3-CE1 4.48Å; W178-F189 AromaticContact CH2-CD1 3.96Å; W178-F189 HydrophobicContact CH2-CD1 3.96Å; W178-F189 AromaticContact CH2-CE1 3.31Å; W178-F189 HydrophobicContact CH2-CE1 3.31Å; W178-F189 HydrophobicContact CH2-CZ 4.02Å; W178-F189 AromaticContact CZ3-CD1 3.62Å; W178-F189 HydrophobicContact CZ3-CD1 3.62Å; W178-F189 AromaticContact CZ3-CE1 3.24Å; W178-F189 HydrophobicContact CZ3-CE1 3.24Å; W178-F189 HydrophobicContact CZ3-CG 4.46Å; W178-F189 AromaticContact CZ3-CZ 3.77Å; W178-F189 HydrophobicContact CZ3-CZ 3.77Å
179	L	53.6	Low	56.9	Low	131 Å²	131	108.3 Å²	108.3	69%	0.686	59%	0.585	S	S	*	*			trans	-73.5	96.7	171.1	-67.2	172.2	0	0	0	109.2	I177 N181	I177-L179 PolarHBondContact O-N 2.92Å; L179-N181 PolarHBondContact O-N 3.24Å; L179-N181 VanDerWaalsContact O-N 3.1Å
180	L	54	Low	55.2	Low	127 Å²	127	110.7 Å²	110.7	67%	0.665	61%	0.605	S	S	*	*			trans	-71.5	98.7	167.5	-77	150.4	0	0	0	108.4	W178 S182 L187	W178-L180 PolarHBondContact O-N 3.25Å; L180-S182 PolarHBondContact O-N 3.46Å; L180-S182 VanDerWaalsContact O-N 3.09Å; L180-L187 HydrophobicContact CD2-CD2 4.37Å
181	N	43.4	Very low	53.9	Low	117 Å²	117	115.7 Å²	115.7	63%	0.626	63%	0.632	S	S	*	*			trans	-71.4	108.6	170.1	-136.8	32.9	0	0	0	107.8	L179 K183 T184	L179-N181 PolarHBondContact O-N 3.24Å; L179-N181 VanDerWaalsContact O-N 3.1Å; N181-K183 PolarHBondContact O-N 3.33Å; N181-T184 PolarHBondContact O-N 3.07Å
182	S	48.5	Very low	52.9	Low	122 Å²	122	118.8 Å²	118.8	85%	0.853	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	20.1	-171.5	56.4	0	0	0	0	115.5	L180	L180-S182 PolarHBondContact O-N 3.46Å; L180-S182 VanDerWaalsContact O-N 3.09Å
183	K	56.4	Low	52	Low	193 Å²	193	123.7 Å²	123.7	84%	0.839	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-10.5	174.3	-81.6	-175.8	175	-179	0	115.1	N181	N181-K183 PolarHBondContact O-N 3.33Å
184	T	56.5	Low	51.4	Low	87 Å²	87	125.8 Å²	125.8	53%	0.534	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.6	-8.1	-179	61.7	0	0	0	0	115.4	N181 F186	N181-T184 PolarHBondContact O-N 3.07Å; T184-F186 WeakPolarHBondContact O-CD2 2.99Å; T184-F186 WeakPolarHBondContact O-CE2 3.35Å; T184-F186 PolarHBondContact O-N 3.05Å
185	G	51.7	Low	50.5	Low	66 Å²	66	129.2 Å²	129.2	68%	0.68	69%	0.694	S	S	*	*			trans	64.5	6.2	177.3	0	0	0	0	0	115
186	F	48.6	Very low	49.7	Very low	149 Å²	149	139 Å²	139	65%	0.654	71%	0.714	S	S	*	*			trans	-97.3	135.4	178.8	-66.6	-72.1	0	0	0	110.9	T184 N188	T184-F186 WeakPolarHBondContact O-CD2 2.99Å; T184-F186 WeakPolarHBondContact O-CE2 3.35Å; T184-F186 PolarHBondContact O-N 3.05Å; F186-N188 PolarHBondContact O-N 3.1Å
187	L	52.7	Low	49.5	Very low	81 Å²	81	141.5 Å²	141.5	42%	0.424	72%	0.721	S	S	.	*			trans	-75.2	113	166.6	-66.3	170.8	0	0	0	108	W178 L180 F189	W178-L187 HydrophobicContact CB-CD2 3.82Å; W178-L187 HydrophobicContact CD2-CD2 4.29Å; W178-L187 HydrophobicContact CE3-CD2 4.09Å; W178-L187 HydrophobicContact CG-CD2 4.21Å; L180-L187 HydrophobicContact CD2-CD2 4.37Å; L187-F189 HydrophobicContact CB-CE2 4.16Å; L187-F189 PolarHBondContact O-N 3.47Å
188	N	49.8	Very low	49.1	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	73%	0.727	S	S	*	*			trans	-85.5	109.7	171.9	-81.7	-5.7	0	0	0	109.2	F186	F186-N188 PolarHBondContact O-N 3.1Å
189	F	52.3	Low	48.8	Very low	122 Å²	122	143.7 Å²	143.7	54%	0.535	74%	0.741	S	S	.	*			trans	-79.1	130.2	168.4	-66.3	-93.4	0	0	0	109.2	W178 L187 N191	W178-F189 HydrophobicContact CE3-CE1 4.48Å; W178-F189 AromaticContact CH2-CD1 3.96Å; W178-F189 HydrophobicContact CH2-CD1 3.96Å; W178-F189 AromaticContact CH2-CE1 3.31Å; W178-F189 HydrophobicContact CH2-CE1 3.31Å; W178-F189 HydrophobicContact CH2-CZ 4.02Å; W178-F189 AromaticContact CZ3-CD1 3.62Å; W178-F189 HydrophobicContact CZ3-CD1 3.62Å; W178-F189 AromaticContact CZ3-CE1 3.24Å; W178-F189 HydrophobicContact CZ3-CE1 3.24Å; W178-F189 HydrophobicContact CZ3-CG 4.46Å; W178-F189 AromaticContact CZ3-CZ 3.77Å; W178-F189 HydrophobicContact CZ3-CZ 3.77Å; L187-F189 HydrophobicContact CB-CE2 4.16Å; L187-F189 PolarHBondContact O-N 3.47Å; F189-N191 VanDerWaalsContact C-N 3.28Å; F189-N191 PolarHBondContact O-N 3.28Å
190	P	44.9	Very low	48.5	Very low	117 Å²	117	144.4 Å²	144.4	76%	0.76	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	83.9	174	29.6	-29.2	0	0	0	108.2
191	N	48.6	Very low	48.2	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176.3	11.5	156.7	-91.4	-20.7	0	0	0	116.7	F189 I193	F189-N191 VanDerWaalsContact C-N 3.28Å; F189-N191 PolarHBondContact O-N 3.28Å; N191-I193 PolarHBondContact O-N 2.77Å; N191-I193 VanDerWaalsContact O-N 3.07Å
192	D	47.5	Very low	48.5	Very low	158 Å²	158	147.4 Å²	147.4	85%	0.845	76%	0.758	S	S	*	*			trans	-78.2	16.4	174.8	-77.3	-20.6	0	0	0	114.8	K194	D192-K194 VanDerWaalsContact C-N 3.32Å; D192-K194 PolarHBondContact O-N 3.09Å
193	I	46.9	Very low	48.5	Very low	161 Å²	161	149.2 Å²	149.2	83%	0.826	75%	0.751	S	S	*	*			trans	-93.2	69.7	164.7	-49.2	175.5	0	0	0	108.1	N191	N191-I193 PolarHBondContact O-N 2.77Å; N191-I193 VanDerWaalsContact O-N 3.07Å
194	K	44.5	Very low	47.9	Very low	196 Å²	196	145.8 Å²	145.8	85%	0.852	74%	0.744	S	S	*	*			trans	-104.8	108.8	155.7	-90.9	-174.4	178	176.5	0	108.4	D192 R196	D192-K194 VanDerWaalsContact C-N 3.32Å; D192-K194 PolarHBondContact O-N 3.09Å; K194-R196 PolarHBondContact O-N 3.02Å; K194-R196 VanDerWaalsContact O-N 3.14Å
195	N	38.4	Very low	47.2	Very low	162 Å²	162	150.8 Å²	150.8	87%	0.866	76%	0.762	S	S	*	*			trans	-38.5	112.5	162.2	-74.6	-28.4	0	0	0	111.6
196	R	40.5	Very low	46.8	Very low	314 Å²	314	158.5 Å²	158.5	100%	1.185	77%	0.769	S	S	*	*			trans	-161.8	0	135.3	-163.5	172.5	-176.4	175.8	0.8	110.6	K194	K194-R196 PolarHBondContact O-N 3.02Å; K194-R196 VanDerWaalsContact O-N 3.14Å

Retrieved 196 of 196 residues in 34.4 ms (Link to these results)

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