A0A5K4F9K6_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F9K6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 aa.

						>A0A5K4F9K6_SCHMA|A0A5K4F9K6
MKLIVLLVWVYCILISAAHTNETAVTHGEEVNEHESERGMKPVIRTLGQSMINGMSKILQTIDTYSRKDDLDKKLLEVAKIIGRRLEKRHEYLARKLEFLLMFSTC
					

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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	61	Low	70.6	Confident	200 Å²	200	131.2 Å²	131.2	99%	0.985	64%	0.642	S	S	*	*				0	-49.7	0	-65.9	-162.3	-59.9	0	0	113.6	L3 I4 V5	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.28Å; M1-I4 PolarHBondContact O-N 3.02Å; M1-I4 VanDerWaalsContact O-N 3.17Å; M1-V5 PolarHBondContact O-N 3.09Å
2	K	70.4	Confident	70.4	Confident	188 Å²	188	125.6 Å²	125.6	82%	0.817	63%	0.625	S	S	*	*	H	α-helix	trans	-51.6	-40.7	179.5	-73.8	179.5	173.3	175.3	0	114.3	I4 V5 L6	K2-I4 PolarHBondContact O-N 3.09Å; K2-V5 PolarHBondContact O-N 2.95Å; K2-L6 PolarHBondContact O-N 3.35Å
3	L	66.7	Low	70.6	Confident	133 Å²	133	122.3 Å²	122.3	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-63.1	-42.7	-179.7	-151.8	89.1	0	0	0	113.3	M1 L6 L7	M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.28Å; L3-L6 WeakPolarHBondContact O-CB 3.45Å; L3-L6 PolarHBondContact O-N 3.1Å; L3-L7 WeakPolarHBondContact O-CG 2.9Å; L3-L7 PolarHBondContact O-N 3.23Å
4	I	74.6	Confident	70.2	Confident	116 Å²	116	121.2 Å²	121.2	60%	0.595	61%	0.606	S	S	*	*	H	α-helix	trans	-66.5	-43.3	-179.1	-62.8	172.6	0	0	0	110.1	M1 K2 L6 L7 V8	M1-I4 PolarHBondContact O-N 3.02Å; M1-I4 VanDerWaalsContact O-N 3.17Å; K2-I4 PolarHBondContact O-N 3.09Å; I4-L6 VanDerWaalsContact C-N 3.27Å; I4-L6 PolarHBondContact O-N 3.46Å; I4-L7 PolarHBondContact O-N 3.28Å; I4-V8 HydrophobicContact CG2-CG2 4.44Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 2.74Å
5	V	68.4	Low	70.1	Confident	100 Å²	100	118.5 Å²	118.5	61%	0.606	59%	0.593	S	S	*	*	H	α-helix	trans	-60	-41.9	176	178.3	0	0	0	0	110.5	M1 K2 V8 W9	M1-V5 PolarHBondContact O-N 3.09Å; K2-V5 PolarHBondContact O-N 2.95Å; V5-V8 PolarHBondContact O-N 3.42Å; V5-W9 WeakPolarHBondContact O-CB 3.44Å; V5-W9 PolarHBondContact O-N 2.76Å
6	L	70.3	Confident	69.9	Low	114 Å²	114	115.6 Å²	115.6	60%	0.597	59%	0.588	S	S	*	*	H	α-helix	trans	-64.7	-41.8	177.7	-133.2	137	0	0	0	111.9	K2 L3 I4 W9 V10	K2-L6 PolarHBondContact O-N 3.35Å; L3-L6 WeakPolarHBondContact O-CB 3.45Å; L3-L6 PolarHBondContact O-N 3.1Å; I4-L6 VanDerWaalsContact C-N 3.27Å; I4-L6 PolarHBondContact O-N 3.46Å; L6-W9 PolarHBondContact O-N 3.22Å; L6-V10 HydrophobicContact CD2-CG2 4.38Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.21Å; L6-V10 PolarHBondContact O-N 2.85Å
7	L	72.8	Confident	69.2	Low	112 Å²	112	111.2 Å²	111.2	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-64.9	-43.5	176.6	-72.3	170.7	0	0	0	112.3	L3 I4 W9 V10 Y11	L3-L7 WeakPolarHBondContact O-CG 2.9Å; L3-L7 PolarHBondContact O-N 3.23Å; I4-L7 PolarHBondContact O-N 3.28Å; L7-W9 VanDerWaalsContact C-N 3.29Å; L7-W9 PolarHBondContact O-N 2.98Å; L7-V10 PolarHBondContact O-N 3.39Å; L7-Y11 VanDerWaalsContact O-CB 3.26Å; L7-Y11 WeakPolarHBondContact O-CB 3.32Å; L7-Y11 PolarHBondContact O-N 3.32Å
8	V	73.4	Confident	68.4	Low	85 Å²	85	107.9 Å²	107.9	52%	0.515	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-40.4	175.2	173.6	0	0	0	0	110.3	I4 V5 Y11 C12	I4-V8 HydrophobicContact CG2-CG2 4.44Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 2.74Å; V5-V8 PolarHBondContact O-N 3.42Å; V8-Y11 PolarHBondContact O-N 3.5Å; V8-C12 WeakPolarHBondContact O-CB 3.43Å; V8-C12 PolarHBondContact O-N 3.21Å; V8-C12 PolarHBondContact O-SG 3.49Å
9	W	71.7	Confident	67.8	Low	175 Å²	175	108.1 Å²	108.1	66%	0.663	56%	0.562	S	S	*	*	H	α-helix	trans	-64.9	-46	178	-147.2	69.1	0	0	0	112	V5 L6 L7 Y11 C12 I13	V5-W9 WeakPolarHBondContact O-CB 3.44Å; V5-W9 PolarHBondContact O-N 2.76Å; L6-W9 PolarHBondContact O-N 3.22Å; L7-W9 VanDerWaalsContact C-N 3.29Å; L7-W9 PolarHBondContact O-N 2.98Å; W9-Y11 VanDerWaalsContact C-N 3.34Å; W9-Y11 PolarHBondContact O-N 2.88Å; W9-C12 PolarHBondContact O-N 3.14Å; W9-I13 HydrophobicContact CD2-CD1 3.92Å; W9-I13 HydrophobicContact CE3-CD1 3.4Å; W9-I13 HydrophobicContact CH2-CD1 4.07Å; W9-I13 HydrophobicContact CZ3-CD1 3.49Å; W9-I13 VanDerWaalsContact CZ3-CD1 3.49Å; W9-I13 VanDerWaalsContact O-CG1 3.27Å; W9-I13 WeakPolarHBondContact O-CG1 3.23Å; W9-I13 PolarHBondContact O-N 2.96Å
10	V	74.4	Confident	67.2	Low	67 Å²	67	106.7 Å²	106.7	41%	0.406	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-41.5	174.8	172.8	0	0	0	0	111	L6 L7 I13 L14	L6-V10 HydrophobicContact CD2-CG2 4.38Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 3.21Å; L6-V10 PolarHBondContact O-N 2.85Å; L7-V10 PolarHBondContact O-N 3.39Å; V10-I13 PolarHBondContact O-N 3.42Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 HydrophobicContact CG1-CG 4.41Å; V10-L14 WeakPolarHBondContact O-CB 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.36Å
11	Y	73.1	Confident	66.3	Low	153 Å²	153	106.7 Å²	106.7	60%	0.6	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-42.5	177.6	-173.3	-110	0	0	0	112.3	L7 V8 W9 I13 L14 I15	L7-Y11 VanDerWaalsContact O-CB 3.26Å; L7-Y11 WeakPolarHBondContact O-CB 3.32Å; L7-Y11 PolarHBondContact O-N 3.32Å; V8-Y11 PolarHBondContact O-N 3.5Å; W9-Y11 VanDerWaalsContact C-N 3.34Å; W9-Y11 PolarHBondContact O-N 2.88Å; Y11-I13 VanDerWaalsContact C-N 3.33Å; Y11-I13 PolarHBondContact O-N 2.95Å; Y11-L14 PolarHBondContact O-N 3.1Å; Y11-I15 HydrophobicContact CD1-CD1 3.59Å; Y11-I15 HydrophobicContact CD1-CG1 4.48Å; Y11-I15 HydrophobicContact CE1-CD1 3.16Å; Y11-I15 HydrophobicContact CE1-CG1 4.19Å; Y11-I15 HydrophobicContact CE2-CD1 4.25Å; Y11-I15 HydrophobicContact CE2-CG1 4.47Å; Y11-I15 HydrophobicContact CG-CD1 4.3Å; Y11-I15 WeakPolarHBondContact O-CG1 3.43Å; Y11-I15 PolarHBondContact O-N 2.98Å
12	C	68.7	Low	65.6	Low	64 Å²	64	104 Å²	104	43%	0.432	55%	0.545	S	S	.	.	H	α-helix	trans	-62.7	-39.1	173.7	-73.9	0	0	0	0	112.2	V8 W9 S16	V8-C12 WeakPolarHBondContact O-CB 3.43Å; V8-C12 PolarHBondContact O-N 3.21Å; V8-C12 PolarHBondContact O-SG 3.49Å; W9-C12 PolarHBondContact O-N 3.14Å; C12-S16 WeakPolarHBondContact O-CB 3.33Å; C12-S16 PolarHBondContact O-N 3.38Å; C12-S16 PolarHBondContact O-OG 3.46Å
13	I	72.7	Confident	64.3	Low	83 Å²	83	98.2 Å²	98.2	43%	0.426	53%	0.525	S	S	.	.	H	α-helix	trans	-66.2	-44.1	174.7	-69.5	167.4	0	0	0	110.3	W9 V10 Y11 S16 A17	W9-I13 HydrophobicContact CD2-CD1 3.92Å; W9-I13 HydrophobicContact CE3-CD1 3.4Å; W9-I13 HydrophobicContact CH2-CD1 4.07Å; W9-I13 HydrophobicContact CZ3-CD1 3.49Å; W9-I13 VanDerWaalsContact CZ3-CD1 3.49Å; W9-I13 VanDerWaalsContact O-CG1 3.27Å; W9-I13 WeakPolarHBondContact O-CG1 3.23Å; W9-I13 PolarHBondContact O-N 2.96Å; V10-I13 PolarHBondContact O-N 3.42Å; Y11-I13 VanDerWaalsContact C-N 3.33Å; Y11-I13 PolarHBondContact O-N 2.95Å; I13-S16 PolarHBondContact O-N 3.18Å; I13-A17 VanDerWaalsContact O-CB 3.26Å; I13-A17 WeakPolarHBondContact O-CB 3.43Å; I13-A17 PolarHBondContact O-N 2.98Å
14	L	64.3	Low	62.9	Low	107 Å²	107	94.6 Å²	94.6	56%	0.56	51%	0.514	S	S	*	.	H	α-helix	trans	-61.8	-43.6	177	-78.9	168.1	0	0	0	112	V10 Y11 S16 A17 A18	V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 HydrophobicContact CG1-CG 4.41Å; V10-L14 WeakPolarHBondContact O-CB 3.41Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.36Å; Y11-L14 PolarHBondContact O-N 3.1Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-A17 PolarHBondContact O-N 3.36Å; L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.22Å; L14-A18 PolarHBondContact O-N 2.67Å
15	I	68.8	Low	61.3	Low	80 Å²	80	94.8 Å²	94.8	41%	0.41	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-42.9	175	-68.3	166.2	0	0	0	110.4	Y11 A17 A18 H19	Y11-I15 HydrophobicContact CD1-CD1 3.59Å; Y11-I15 HydrophobicContact CD1-CG1 4.48Å; Y11-I15 HydrophobicContact CE1-CD1 3.16Å; Y11-I15 HydrophobicContact CE1-CG1 4.19Å; Y11-I15 HydrophobicContact CE2-CD1 4.25Å; Y11-I15 HydrophobicContact CE2-CG1 4.47Å; Y11-I15 HydrophobicContact CG-CD1 4.3Å; Y11-I15 WeakPolarHBondContact O-CG1 3.43Å; Y11-I15 PolarHBondContact O-N 2.98Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.36Å; I15-A18 PolarHBondContact O-N 3.28Å; I15-H19 VanDerWaalsContact O-CB 3.23Å; I15-H19 WeakPolarHBondContact O-CB 3.42Å; I15-H19 PolarHBondContact O-N 2.95Å
16	S	66.6	Low	59.9	Low	73 Å²	73	94.9 Å²	94.9	51%	0.51	52%	0.522	S	S	.	.	H	α-helix	trans	-65.3	-39.3	178.4	-57.1	0	0	0	0	111.6	C12 I13 L14 T20	C12-S16 WeakPolarHBondContact O-CB 3.33Å; C12-S16 PolarHBondContact O-N 3.38Å; C12-S16 PolarHBondContact O-OG 3.46Å; I13-S16 PolarHBondContact O-N 3.18Å; L14-S16 VanDerWaalsContact C-N 3.35Å; S16-T20 WeakPolarHBondContact O-CB 3.49Å; S16-T20 VanDerWaalsContact O-CG2 3.26Å; S16-T20 WeakPolarHBondContact O-CG2 3.5Å; S16-T20 PolarHBondContact O-N 3.39Å; S16-T20 PolarHBondContact O-OG1 3.43Å
17	A	58.8	Low	58.5	Low	40 Å²	40	95.6 Å²	95.6	33%	0.331	52%	0.521	S	S	.	.	H	α-helix	trans	-68.8	-41.6	176	0	0	0	0	0	111.8	I13 L14 I15 T20 N21	I13-A17 VanDerWaalsContact O-CB 3.26Å; I13-A17 WeakPolarHBondContact O-CB 3.43Å; I13-A17 PolarHBondContact O-N 2.98Å; L14-A17 PolarHBondContact O-N 3.36Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.36Å; A17-T20 VanDerWaalsContact CA-OG1 3.28Å; A17-T20 WeakPolarHBondContact CA-OG1 3.38Å; A17-T20 PolarHBondContact O-N 3.47Å; A17-T20 PolarHBondContact O-OG1 2.96Å; A17-N21 WeakPolarHBondContact O-CB 3.47Å; A17-N21 PolarHBondContact O-N 3.08Å
18	A	55.2	Low	56.5	Low	53 Å²	53	93.4 Å²	93.4	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.6	0	0	0	0	0	111	L14 I15 T20 N21 E22	L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.22Å; L14-A18 PolarHBondContact O-N 2.67Å; I15-A18 PolarHBondContact O-N 3.28Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.33Å; A18-N21 PolarHBondContact O-N 2.83Å; A18-E22 PolarHBondContact O-N 2.85Å
19	H	56.2	Low	54.8	Low	110 Å²	110	96.7 Å²	96.7	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-67.2	-34.8	178.8	-160.4	-55.3	0	0	0	111.8	I15 T23	I15-H19 VanDerWaalsContact O-CB 3.23Å; I15-H19 WeakPolarHBondContact O-CB 3.42Å; I15-H19 PolarHBondContact O-N 2.95Å; H19-T23 WeakPolarHBondContact O-CG2 3.31Å; H19-T23 PolarHBondContact O-N 3.24Å; H19-T23 PolarHBondContact O-OG1 3.35Å; H19-T23 VanDerWaalsContact O-OG1 3.07Å
20	T	56.3	Low	53.3	Low	80 Å²	80	97.8 Å²	97.8	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-71.8	-38.6	173.4	47.9	0	0	0	0	111.9	S16 A17 A18 T23 A24	S16-T20 WeakPolarHBondContact O-CB 3.49Å; S16-T20 VanDerWaalsContact O-CG2 3.26Å; S16-T20 WeakPolarHBondContact O-CG2 3.5Å; S16-T20 PolarHBondContact O-N 3.39Å; S16-T20 PolarHBondContact O-OG1 3.43Å; A17-T20 VanDerWaalsContact CA-OG1 3.28Å; A17-T20 WeakPolarHBondContact CA-OG1 3.38Å; A17-T20 PolarHBondContact O-N 3.47Å; A17-T20 PolarHBondContact O-OG1 2.96Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.33Å; T20-T23 VanDerWaalsContact CA-OG1 3.32Å; T20-T23 WeakPolarHBondContact CA-OG1 3.46Å; T20-T23 CarbonylContact O-C 3.47Å; T20-T23 PolarHBondContact O-N 3.3Å; T20-T23 PolarHBondContact O-OG1 3.49Å; T20-A24 WeakPolarHBondContact O-CA 3.4Å; T20-A24 WeakPolarHBondContact O-CB 3.39Å; T20-A24 PolarHBondContact O-N 3.5Å
21	N	48	Very low	51.8	Low	107 Å²	107	97.3 Å²	97.3	57%	0.572	55%	0.546	S	S	*	.	H	α-helix	trans	-65.8	-40.4	174.6	-91.7	-8.8	0	0	0	112.4	A17 A18 T23 A24 V25	A17-N21 WeakPolarHBondContact O-CB 3.47Å; A17-N21 PolarHBondContact O-N 3.08Å; A18-N21 PolarHBondContact O-N 2.83Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 2.97Å; N21-A24 PolarHBondContact O-N 2.82Å; N21-V25 VanDerWaalsContact O-CB 3.31Å; N21-V25 WeakPolarHBondContact O-CB 3.32Å; N21-V25 WeakPolarHBondContact O-CG2 3.5Å; N21-V25 PolarHBondContact O-N 3.06Å
22	E	45.7	Very low	50.3	Low	145 Å²	145	95.2 Å²	95.2	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-61.3	-39.1	172.9	-80.5	-177.8	165.3	0	0	111.6	A18 T26	A18-E22 PolarHBondContact O-N 2.85Å; E22-T26 PolarHBondContact O-OG1 2.67Å
23	T	43.6	Very low	49.2	Very low	66 Å²	66	100.4 Å²	100.4	41%	0.405	56%	0.563	S	S	.	*	H	α-helix	trans	-77.2	-23.9	174.7	58.1	0	0	0	0	114.1	H19 T20 N21 T26 H27	H19-T23 WeakPolarHBondContact O-CG2 3.31Å; H19-T23 PolarHBondContact O-N 3.24Å; H19-T23 PolarHBondContact O-OG1 3.35Å; H19-T23 VanDerWaalsContact O-OG1 3.07Å; T20-T23 VanDerWaalsContact CA-OG1 3.32Å; T20-T23 WeakPolarHBondContact CA-OG1 3.46Å; T20-T23 CarbonylContact O-C 3.47Å; T20-T23 PolarHBondContact O-N 3.3Å; T20-T23 PolarHBondContact O-OG1 3.49Å; N21-T23 VanDerWaalsContact C-N 3.28Å; N21-T23 PolarHBondContact O-N 2.97Å; T23-T26 PolarHBondContact O-OG1 2.95Å; T23-T26 VanDerWaalsContact O-OG1 3.14Å; T23-H27 PolarHBondContact O-CD2 3.36Å
24	A	38	Very low	47.7	Very low	56 Å²	56	104 Å²	104	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-85.9	-34.6	-179.2	0	0	0	0	0	111.5	T20 N21 T26 H27	T20-A24 WeakPolarHBondContact O-CA 3.4Å; T20-A24 WeakPolarHBondContact O-CB 3.39Å; T20-A24 PolarHBondContact O-N 3.5Å; N21-A24 PolarHBondContact O-N 2.82Å; A24-T26 PolarHBondContact O-N 2.93Å; A24-H27 PolarHBondContact O-N 3.03Å
25	V	39.9	Very low	46.7	Very low	120 Å²	120	105.8 Å²	105.8	73%	0.727	58%	0.583	S	S	*	*	H	α-helix	trans	-67.6	-25.3	175.6	172	0	0	0	0	111.2	N21 H27	N21-V25 VanDerWaalsContact O-CB 3.31Å; N21-V25 WeakPolarHBondContact O-CB 3.32Å; N21-V25 WeakPolarHBondContact O-CG2 3.5Å; N21-V25 PolarHBondContact O-N 3.06Å; V25-H27 VanDerWaalsContact C-N 3.31Å
26	T	39.1	Very low	45.8	Very low	103 Å²	103	103 Å²	103	63%	0.632	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-5	171.6	38	0	0	0	0	114.2	E22 T23 A24	E22-T26 PolarHBondContact O-OG1 2.67Å; T23-T26 PolarHBondContact O-OG1 2.95Å; T23-T26 VanDerWaalsContact O-OG1 3.14Å; A24-T26 PolarHBondContact O-N 2.93Å
27	H	40.3	Very low	45.2	Very low	128 Å²	128	107.1 Å²	107.1	59%	0.593	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	11.8	-179.2	-92.2	-37.8	0	0	0	115.1	T23 A24 V25	T23-H27 PolarHBondContact O-CD2 3.36Å; A24-H27 PolarHBondContact O-N 3.03Å; V25-H27 VanDerWaalsContact C-N 3.31Å
28	G	32.3	Very low	45	Very low	67 Å²	67	116.1 Å²	116.1	69%	0.691	61%	0.607	S	S	*	*			trans	-86.5	-3.3	175	0	0	0	0	0	115.9	E30	G28-E30 PolarHBondContact O-N 3.47Å
29	E	38.1	Very low	45.6	Very low	153 Å²	153	116 Å²	116	72%	0.715	61%	0.611	S	S	*	*	S	Bend	trans	-75.1	120.1	171.4	-82.1	-178.6	162.1	0	0	109.3	V31	E29-V31 VanDerWaalsContact O-CG2 3.32Å; E29-V31 WeakPolarHBondContact O-CG2 3.44Å; E29-V31 PolarHBondContact O-N 3.14Å
30	E	39.7	Very low	46.7	Very low	198 Å²	198	117.1 Å²	117.1	93%	0.925	62%	0.618	S	S	*	*			trans	-52.1	87.7	168.2	-69.4	177.7	149.9	0	0	109.5	G28 N32	G28-E30 PolarHBondContact O-N 3.47Å; E30-N32 PolarHBondContact O-N 3Å
31	V	43	Very low	47.8	Very low	58 Å²	58	119.2 Å²	119.2	35%	0.352	62%	0.62	S	S	.	*			trans	-72.6	100.2	179.2	179.9	0	0	0	0	107.5	E29 E33	E29-V31 VanDerWaalsContact O-CG2 3.32Å; E29-V31 WeakPolarHBondContact O-CG2 3.44Å; E29-V31 PolarHBondContact O-N 3.14Å; V31-E33 PolarHBondContact O-N 2.99Å
32	N	40.4	Very low	49.3	Very low	109 Å²	109	116 Å²	116	58%	0.583	61%	0.605	S	S	*	*			trans	-45.2	109.9	164.5	-167.8	-3.6	0	0	0	109	E30 H34 E35	E30-N32 PolarHBondContact O-N 3Å; N32-H34 PolarHBondContact O-N 3.46Å; N32-E35 PolarHBondContact O-N 3.44Å; N32-E35 VanDerWaalsContact O-N 3.09Å
33	E	45.9	Very low	50.9	Low	172 Å²	172	109.8 Å²	109.8	80%	0.804	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-28.1	-170.6	-77.3	-179	148.7	0	0	112.6	V31 S36	V31-E33 PolarHBondContact O-N 2.99Å; E33-S36 WeakPolarHBondContact O-CB 3.34Å; E33-S36 PolarHBondContact O-N 3.49Å
34	H	41	Very low	52.8	Low	160 Å²	160	111.9 Å²	111.9	74%	0.741	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-29.4	-177.7	-109.4	-57.4	0	0	0	115.4	N32 S36	N32-H34 PolarHBondContact O-N 3.46Å; H34-S36 VanDerWaalsContact C-N 3.33Å
35	E	44.7	Very low	55	Low	144 Å²	144	115.2 Å²	115.2	67%	0.673	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-83.8	-14.3	174.5	-78	-166.4	164.3	0	0	112.3	N32 E37	N32-E35 PolarHBondContact O-N 3.44Å; N32-E35 VanDerWaalsContact O-N 3.09Å; E35-E37 PolarHBondContact O-N 2.95Å
36	S	50	Low	57.1	Low	20 Å²	20	112 Å²	112	14%	0.14	57%	0.565	C	S	.	*	G	3₁₀ helix	trans	-69.1	-17.5	-179.4	-174.7	0	0	0	0	113	E33 H34 P42	E33-S36 WeakPolarHBondContact O-CB 3.34Å; E33-S36 PolarHBondContact O-N 3.49Å; H34-S36 VanDerWaalsContact C-N 3.33Å; S36-P42 WeakPolarHBondContact O-CD 3.46Å; S36-P42 WeakPolarHBondContact O-CG 3.39Å
37	E	53.7	Low	59.4	Low	160 Å²	160	108.6 Å²	108.6	75%	0.748	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-82.5	-15.4	-172.6	-76.8	-169.6	153.5	0	0	114.7	E35	E35-E37 PolarHBondContact O-N 2.95Å
38	R	54.5	Low	61.6	Low	230 Å²	230	103.7 Å²	103.7	87%	0.868	53%	0.528	S	S	*	.	S	Bend	trans	-124.5	141.1	-178.6	-72.7	-177.7	172.5	176.4	-2.9	112.5
39	G	67.9	Low	64.2	Low	50 Å²	50	105.4 Å²	105.4	52%	0.515	52%	0.518	S	S	.	.	S	Bend	trans	101.6	-167	175.8	0	0	0	0	0	115	K41 P42	G39-K41 VanDerWaalsContact C-N 3.32Å; G39-K41 PolarHBondContact O-N 3.17Å; G39-P42 WeakPolarHBondContact O-CD 3.5Å
40	M	78.1	Confident	66.5	Low	133 Å²	133	98.7 Å²	98.7	66%	0.655	49%	0.487	S	S	*	.	H	α-helix	trans	-76.4	-14.2	-173.5	-70	166.1	75.4	0	0	113.9	V43 I44	M40-V43 WeakPolarHBondContact O-CB 3.41Å; M40-V43 PolarHBondContact O-N 3.46Å; M40-V43 VanDerWaalsContact O-N 3.14Å; M40-I44 HydrophobicContact CB-CD1 4.49Å; M40-I44 WeakPolarHBondContact O-CG1 3.37Å; M40-I44 PolarHBondContact O-N 2.96Å
41	K	79.9	Confident	68.7	Low	125 Å²	125	94 Å²	94	54%	0.543	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-50.1	-178	-78.9	-176.2	179.6	-179.2	0	112.4	G39 V43 I44 R45	G39-K41 VanDerWaalsContact C-N 3.32Å; G39-K41 PolarHBondContact O-N 3.17Å; K41-V43 VanDerWaalsContact C-N 3.3Å; K41-V43 PolarHBondContact O-N 2.85Å; K41-I44 PolarHBondContact O-N 3.34Å; K41-R45 WeakPolarHBondContact O-CB 3.43Å; K41-R45 PolarHBondContact O-N 3.35Å
42	P	79.8	Confident	70.8	Confident	40 Å²	40	96 Å²	96	26%	0.26	48%	0.475	S	S	.	.	H	α-helix	trans	-56.3	-38.9	171.4	-32.3	38.2	0	0	0	114.8	S36 G39 R45 T46	S36-P42 WeakPolarHBondContact O-CD 3.46Å; S36-P42 WeakPolarHBondContact O-CG 3.39Å; G39-P42 WeakPolarHBondContact O-CD 3.5Å; P42-R45 PolarHBondContact O-N 3.06Å; P42-T46 VanDerWaalsContact O-CB 3.23Å; P42-T46 WeakPolarHBondContact O-CB 3.18Å; P42-T46 PolarHBondContact O-N 3.12Å; P42-T46 PolarHBondContact O-OG1 2.81Å
43	V	79.9	Confident	73	Confident	13 Å²	13	94.9 Å²	94.9	8%	0.079	47%	0.468	C	S	.	.	H	α-helix	trans	-63.1	-49.9	-179.7	179.4	0	0	0	0	109.6	M40 K41 T46 L47 L97 L100	M40-V43 WeakPolarHBondContact O-CB 3.41Å; M40-V43 PolarHBondContact O-N 3.46Å; M40-V43 VanDerWaalsContact O-N 3.14Å; K41-V43 VanDerWaalsContact C-N 3.3Å; K41-V43 PolarHBondContact O-N 2.85Å; V43-T46 PolarHBondContact O-N 2.89Å; V43-L47 HydrophobicContact CG1-CD1 3.9Å; V43-L47 WeakPolarHBondContact O-CB 3.1Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.34Å; V43-L47 PolarHBondContact O-N 3.19Å; V43-L97 HydrophobicContact CG1-CD1 3.97Å; V43-L100 HydrophobicContact CG1-CB 3.95Å; V43-L100 HydrophobicContact CG1-CD1 4.02Å; V43-L100 HydrophobicContact CG2-CB 4.16Å
44	I	82.2	Confident	75	Confident	110 Å²	110	86.8 Å²	86.8	56%	0.564	43%	0.431	S	S	*	.	H	α-helix	trans	-61.2	-47.8	178	-65.7	167	0	0	0	110.7	M40 K41 T46 L47 G48	M40-I44 HydrophobicContact CB-CD1 4.49Å; M40-I44 WeakPolarHBondContact O-CG1 3.37Å; M40-I44 PolarHBondContact O-N 2.96Å; K41-I44 PolarHBondContact O-N 3.34Å; I44-T46 VanDerWaalsContact C-N 3.33Å; I44-T46 PolarHBondContact O-N 3.41Å; I44-L47 PolarHBondContact O-N 3.4Å; I44-G48 PolarHBondContact O-N 3.5Å
45	R	84.3	Confident	77.2	Confident	127 Å²	127	83.2 Å²	83.2	48%	0.479	42%	0.416	S	S	.	.	H	α-helix	trans	-59.1	-44.5	178.6	-174.6	-177.6	-85.1	164.4	-4.5	111.5	K41 P42 G48 Q49	K41-R45 WeakPolarHBondContact O-CB 3.43Å; K41-R45 PolarHBondContact O-N 3.35Å; P42-R45 PolarHBondContact O-N 3.06Å; R45-G48 PolarHBondContact O-N 3.42Å; R45-Q49 WeakPolarHBondContact O-CB 3.32Å; R45-Q49 PolarHBondContact O-N 2.94Å
46	T	84.7	Confident	79.3	Confident	51 Å²	51	79 Å²	79	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-65.2	-41.2	179.8	-61.4	0	0	0	0	112	P42 V43 I44 S50 K96 L100	P42-T46 VanDerWaalsContact O-CB 3.23Å; P42-T46 WeakPolarHBondContact O-CB 3.18Å; P42-T46 PolarHBondContact O-N 3.12Å; P42-T46 PolarHBondContact O-OG1 2.81Å; V43-T46 PolarHBondContact O-N 2.89Å; I44-T46 VanDerWaalsContact C-N 3.33Å; I44-T46 PolarHBondContact O-N 3.41Å; T46-S50 WeakPolarHBondContact O-CB 3.31Å; T46-S50 PolarHBondContact O-N 3.23Å; T46-S50 VanDerWaalsContact O-N 3.08Å; T46-S50 PolarHBondContact O-OG 2.93Å; T46-K96 HydrophobicContact CG2-CD 4.45Å; T46-K96 VanDerWaalsContact CG2-CE 3.48Å; T46-L100 HydrophobicContact CG2-CD1 3.99Å
47	L	86.4	Confident	81.1	Confident	32 Å²	32	83.2 Å²	83.2	17%	0.168	42%	0.418	C	S	.	.	H	α-helix	trans	-68.7	-44.3	176.6	-71.3	169.6	0	0	0	111.5	V43 I44 Q49 S50 M51 L93 K96 L97 L100	V43-L47 HydrophobicContact CG1-CD1 3.9Å; V43-L47 WeakPolarHBondContact O-CB 3.1Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.34Å; V43-L47 PolarHBondContact O-N 3.19Å; I44-L47 PolarHBondContact O-N 3.4Å; L47-Q49 PolarHBondContact O-N 2.7Å; L47-S50 WeakPolarHBondContact O-CB 3.36Å; L47-S50 PolarHBondContact O-N 3.07Å; L47-S50 VanDerWaalsContact O-N 3.12Å; L47-M51 WeakPolarHBondContact O-CB 3.47Å; L47-M51 PolarHBondContact O-N 3.18Å; L47-L93 HydrophobicContact CD2-CD2 4.15Å; L47-K96 HydrophobicContact CD2-CB 4.29Å; L47-K96 HydrophobicContact CD2-CG 4.43Å; L47-L97 HydrophobicContact CD1-CB 4.04Å; L47-L97 HydrophobicContact CD1-CD1 3.58Å; L47-L97 HydrophobicContact CD1-CG 4.29Å; L47-L97 HydrophobicContact CD2-CB 4.15Å; L47-L100 HydrophobicContact CG-CD1 4.34Å
48	G	86.7	Confident	82.7	Confident	26 Å²	26	76 Å²	76	27%	0.268	38%	0.384	S	S	.	.	H	α-helix	trans	-56.1	-49.6	175.3	0	0	0	0	0	112	I44 R45 S50 M51 I52	I44-G48 PolarHBondContact O-N 3.5Å; R45-G48 PolarHBondContact O-N 3.42Å; G48-S50 VanDerWaalsContact C-N 3.29Å; G48-S50 PolarHBondContact O-N 3.27Å; G48-M51 WeakPolarHBondContact O-CB 3.26Å; G48-M51 PolarHBondContact O-N 2.88Å; G48-M51 VanDerWaalsContact O-N 3.17Å; G48-I52 WeakPolarHBondContact O-CG1 3.49Å; G48-I52 PolarHBondContact O-N 3.34Å
49	Q	87.6	Confident	84.2	Confident	102 Å²	102	69.8 Å²	69.8	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-38.8	176.5	-168.2	63.5	45.1	0	0	112.2	R45 L47 M51 I52 N53	R45-Q49 WeakPolarHBondContact O-CB 3.32Å; R45-Q49 PolarHBondContact O-N 2.94Å; L47-Q49 PolarHBondContact O-N 2.7Å; Q49-M51 VanDerWaalsContact C-N 3.33Å; Q49-I52 PolarHBondContact O-N 2.82Å; Q49-N53 PolarHBondContact NE2-OD1 2.84Å; Q49-N53 WeakPolarHBondContact O-CB 3.47Å; Q49-N53 PolarHBondContact O-N 2.76Å; Q49-N53 PolarHBondContact O-ND2 2.94Å; Q49-N53 PolarHBondContact O-OD1 3.34Å
50	S	86	Confident	85.2	Confident	12 Å²	12	72.9 Å²	72.9	8%	0.084	37%	0.369	C	S	.	.	H	α-helix	trans	-66.2	-37.5	177.9	-58.1	0	0	0	0	112	T46 L47 G48 G54 K96	T46-S50 WeakPolarHBondContact O-CB 3.31Å; T46-S50 PolarHBondContact O-N 3.23Å; T46-S50 VanDerWaalsContact O-N 3.08Å; T46-S50 PolarHBondContact O-OG 2.93Å; L47-S50 WeakPolarHBondContact O-CB 3.36Å; L47-S50 PolarHBondContact O-N 3.07Å; L47-S50 VanDerWaalsContact O-N 3.12Å; G48-S50 VanDerWaalsContact C-N 3.29Å; G48-S50 PolarHBondContact O-N 3.27Å; S50-G54 PolarHBondContact O-N 3.42Å; S50-K96 PolarHBondContact OG-NZ 3.49Å
51	M	86.2	Confident	85.5	Confident	100 Å²	100	67 Å²	67	49%	0.493	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-48.6	175.8	-172.8	175.5	73.3	0	0	111.2	L47 G48 Q49 N53 G54 M55 L93	L47-M51 WeakPolarHBondContact O-CB 3.47Å; L47-M51 PolarHBondContact O-N 3.18Å; G48-M51 WeakPolarHBondContact O-CB 3.26Å; G48-M51 PolarHBondContact O-N 2.88Å; G48-M51 VanDerWaalsContact O-N 3.17Å; Q49-M51 VanDerWaalsContact C-N 3.33Å; M51-N53 PolarHBondContact O-N 3.27Å; M51-G54 WeakPolarHBondContact O-CA 3.35Å; M51-G54 PolarHBondContact O-N 2.93Å; M51-G54 VanDerWaalsContact O-N 3.12Å; M51-M55 WeakPolarHBondContact O-CB 3.49Å; M51-M55 PolarHBondContact O-N 3.25Å; M51-L93 HydrophobicContact CB-CD1 4.25Å; M51-L93 HydrophobicContact CG-CD1 4.4Å
52	I	87.5	Confident	85.7	Confident	100 Å²	100	64.2 Å²	64.2	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-49.7	177	-68.8	163.4	0	0	0	110.6	G48 Q49 G54 M55 S56	G48-I52 WeakPolarHBondContact O-CG1 3.49Å; G48-I52 PolarHBondContact O-N 3.34Å; Q49-I52 PolarHBondContact O-N 2.82Å; I52-G54 VanDerWaalsContact C-N 3.27Å; I52-G54 PolarHBondContact O-N 3.12Å; I52-M55 PolarHBondContact O-N 3.19Å; I52-S56 WeakPolarHBondContact O-CB 3.45Å; I52-S56 PolarHBondContact O-N 3.25Å
53	N	87.2	Confident	86	Confident	85 Å²	85	65.4 Å²	65.4	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-36.9	178.1	-70.4	-6.5	0	0	0	112	Q49 M51 K57	Q49-N53 PolarHBondContact NE2-OD1 2.84Å; Q49-N53 WeakPolarHBondContact O-CB 3.47Å; Q49-N53 PolarHBondContact O-N 2.76Å; Q49-N53 PolarHBondContact O-ND2 2.94Å; Q49-N53 PolarHBondContact O-OD1 3.34Å; M51-N53 PolarHBondContact O-N 3.27Å; N53-K57 PolarHBondContact O-N 3.31Å
54	G	87	Confident	86.3	Confident	2 Å²	2	68.8 Å²	68.8	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-47.4	175.7	0	0	0	0	0	112.5	S50 M51 I52 K57 I58	S50-G54 PolarHBondContact O-N 3.42Å; M51-G54 WeakPolarHBondContact O-CA 3.35Å; M51-G54 PolarHBondContact O-N 2.93Å; M51-G54 VanDerWaalsContact O-N 3.12Å; I52-G54 VanDerWaalsContact C-N 3.27Å; I52-G54 PolarHBondContact O-N 3.12Å; G54-K57 PolarHBondContact O-N 3.08Å; G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 2.89Å
55	M	87.7	Confident	86.4	Confident	86 Å²	86	66.1 Å²	66.1	42%	0.424	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-40.3	-178.5	-167	59.9	72.7	0	0	111.7	M51 I52 K57 I58 L59 L86	M51-M55 WeakPolarHBondContact O-CB 3.49Å; M51-M55 PolarHBondContact O-N 3.25Å; I52-M55 PolarHBondContact O-N 3.19Å; M55-K57 VanDerWaalsContact C-N 3.27Å; M55-K57 PolarHBondContact O-N 3.2Å; M55-I58 WeakPolarHBondContact O-CA 3.36Å; M55-I58 WeakPolarHBondContact O-CB 3.49Å; M55-I58 PolarHBondContact O-N 3.16Å; M55-I58 HydrophobicContact SD-CB 4.38Å; M55-I58 HydrophobicContact SD-CD1 4.36Å; M55-L59 HydrophobicContact CG-CD1 4.33Å; M55-L59 HydrophobicContact CG-CG 4.42Å; M55-L59 WeakPolarHBondContact O-CG 3.33Å; M55-L59 PolarHBondContact O-N 2.97Å; M55-L86 HydrophobicContact CE-CD2 4.4Å
56	S	87.4	Confident	86.2	Confident	55 Å²	55	63 Å²	63	39%	0.385	34%	0.337	S	S	.	.	H	α-helix	trans	-53.6	-43.8	174.2	179.4	0	0	0	0	112	I52 I58 L59 Q60	I52-S56 WeakPolarHBondContact O-CB 3.45Å; I52-S56 PolarHBondContact O-N 3.25Å; S56-I58 VanDerWaalsContact C-N 3.33Å; S56-I58 PolarHBondContact O-N 2.85Å; S56-L59 PolarHBondContact O-N 2.82Å; S56-Q60 WeakPolarHBondContact O-CG 3.28Å; S56-Q60 PolarHBondContact O-N 3.05Å
57	K	88.5	Confident	86.2	Confident	109 Å²	109	69.1 Å²	69.1	47%	0.474	35%	0.354	S	S	.	.	H	α-helix	trans	-67	-32.1	176.2	-69.3	177.9	177.1	-176.7	0	113.2	N53 G54 M55 T61	N53-K57 PolarHBondContact O-N 3.31Å; G54-K57 PolarHBondContact O-N 3.08Å; M55-K57 VanDerWaalsContact C-N 3.27Å; M55-K57 PolarHBondContact O-N 3.2Å; K57-T61 PolarHBondContact O-N 3.46Å; K57-T61 PolarHBondContact O-OG1 3.46Å
58	I	87.6	Confident	86.1	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.036	36%	0.364	C	S	.	.	H	α-helix	trans	-71.1	-44.3	176.1	-65.7	169.5	0	0	0	109.7	G54 M55 S56 Q60 T61 I62 I82 R85 L86 R89	G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 2.89Å; M55-I58 WeakPolarHBondContact O-CA 3.36Å; M55-I58 WeakPolarHBondContact O-CB 3.49Å; M55-I58 PolarHBondContact O-N 3.16Å; M55-I58 HydrophobicContact SD-CB 4.38Å; M55-I58 HydrophobicContact SD-CD1 4.36Å; S56-I58 VanDerWaalsContact C-N 3.33Å; S56-I58 PolarHBondContact O-N 2.85Å; I58-Q60 PolarHBondContact O-N 2.93Å; I58-T61 WeakPolarHBondContact O-CA 3.47Å; I58-T61 VanDerWaalsContact O-CB 3.24Å; I58-T61 WeakPolarHBondContact O-CB 3.41Å; I58-T61 PolarHBondContact O-N 2.77Å; I58-I62 HydrophobicContact CG2-CD1 4.07Å; I58-I62 WeakPolarHBondContact O-CG1 3.23Å; I58-I62 PolarHBondContact O-N 2.84Å; I58-I82 HydrophobicContact CG2-CG2 4Å; I58-R85 HydrophobicContact CG1-CB 4.14Å; I58-L86 HydrophobicContact CD1-CD2 3.46Å; I58-L86 VanDerWaalsContact CD1-CD2 3.46Å; I58-L86 HydrophobicContact CD1-CG 3.92Å; I58-R89 HydrophobicContact CD1-CG 4.24Å
59	L	85.6	Confident	86	Confident	100 Å²	100	78.6 Å²	78.6	52%	0.524	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-43.4	175.6	-69.1	172.6	0	0	0	112	M55 S56 T61 I62 D63	M55-L59 HydrophobicContact CG-CD1 4.33Å; M55-L59 HydrophobicContact CG-CG 4.42Å; M55-L59 WeakPolarHBondContact O-CG 3.33Å; M55-L59 PolarHBondContact O-N 2.97Å; S56-L59 PolarHBondContact O-N 2.82Å; L59-T61 PolarHBondContact O-N 2.8Å; L59-I62 HydrophobicContact CD2-CD1 4.33Å; L59-I62 WeakPolarHBondContact O-CB 3.47Å; L59-I62 PolarHBondContact O-N 3.44Å; L59-I62 VanDerWaalsContact O-N 3.15Å; L59-D63 WeakPolarHBondContact O-CB 3.5Å; L59-D63 PolarHBondContact O-N 3.19Å
60	Q	88.6	Confident	86	Confident	116 Å²	116	76.2 Å²	76.2	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-35.7	172.6	-73.9	174.3	-5.5	0	0	112.5	S56 I58 T64	S56-Q60 WeakPolarHBondContact O-CG 3.28Å; S56-Q60 PolarHBondContact O-N 3.05Å; I58-Q60 PolarHBondContact O-N 2.93Å; Q60-T64 WeakPolarHBondContact O-CB 3.34Å; Q60-T64 PolarHBondContact O-N 3.02Å; Q60-T64 PolarHBondContact O-OG1 2.85Å
61	T	85.1	Confident	85.7	Confident	10 Å²	10	77.9 Å²	77.9	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-46.4	175.9	-52.4	0	0	0	0	110.3	K57 I58 L59 D63 T64 Y65 I81 R85	K57-T61 PolarHBondContact O-N 3.46Å; K57-T61 PolarHBondContact O-OG1 3.46Å; I58-T61 WeakPolarHBondContact O-CA 3.47Å; I58-T61 VanDerWaalsContact O-CB 3.24Å; I58-T61 WeakPolarHBondContact O-CB 3.41Å; I58-T61 PolarHBondContact O-N 2.77Å; L59-T61 PolarHBondContact O-N 2.8Å; T61-D63 VanDerWaalsContact C-N 3.34Å; T61-D63 PolarHBondContact O-N 2.76Å; T61-T64 PolarHBondContact O-N 3.45Å; T61-Y65 HydrophobicContact CG2-CD2 3.75Å; T61-Y65 HydrophobicContact CG2-CE2 3.59Å; T61-Y65 WeakPolarHBondContact O-CD2 3.34Å; T61-Y65 PolarHBondContact O-N 3.4Å; T61-I81 HydrophobicContact CG2-CG2 4.21Å; T61-R85 PolarHBondContact OG1-NH1 2.9Å
62	I	83.8	Confident	85.5	Confident	66 Å²	66	78.9 Å²	78.9	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-56.8	-48.7	175.8	-69.1	162.7	0	0	0	110.4	I58 L59 T64 Y65 S66 I82	I58-I62 HydrophobicContact CG2-CD1 4.07Å; I58-I62 WeakPolarHBondContact O-CG1 3.23Å; I58-I62 PolarHBondContact O-N 2.84Å; L59-I62 HydrophobicContact CD2-CD1 4.33Å; L59-I62 WeakPolarHBondContact O-CB 3.47Å; L59-I62 PolarHBondContact O-N 3.44Å; L59-I62 VanDerWaalsContact O-N 3.15Å; I62-T64 PolarHBondContact O-N 2.89Å; I62-Y65 PolarHBondContact O-N 3.38Å; I62-S66 WeakPolarHBondContact O-CB 3.23Å; I62-S66 PolarHBondContact O-N 2.75Å; I62-S66 PolarHBondContact O-OG 2.76Å; I62-I82 HydrophobicContact CD1-CD1 4.22Å; I62-I82 HydrophobicContact CG1-CD1 3.45Å; I62-I82 VanDerWaalsContact CG1-CD1 3.45Å; I62-I82 HydrophobicContact CG1-CG1 3.95Å
63	D	86.2	Confident	85.4	Confident	64 Å²	64	82.5 Å²	82.5	34%	0.342	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-38.3	179	175.8	59.5	0	0	0	112.6	L59 T61 Y65 S66 R67	L59-D63 WeakPolarHBondContact O-CB 3.5Å; L59-D63 PolarHBondContact O-N 3.19Å; T61-D63 VanDerWaalsContact C-N 3.34Å; T61-D63 PolarHBondContact O-N 2.76Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 3.49Å; D63-S66 WeakPolarHBondContact CA-OG 3.41Å; D63-S66 PolarHBondContact O-N 2.74Å; D63-S66 PolarHBondContact O-OG 2.93Å; D63-R67 WeakPolarHBondContact O-CG 3.45Å; D63-R67 IonicContact OD1-CZ 2.74Å; D63-R67 IonicContact OD1-NE 3.19Å; D63-R67 PolarHBondContact OD1-NE 2.92Å; D63-R67 VanDerWaalsContact OD1-NE 3.11Å; D63-R67 IonicContact OD1-NH2 3.51Å; D63-R67 PolarHBondContact OD1-NH2 3.3Å; D63-R67 IonicContact OD2-CZ 3.11Å; D63-R67 IonicContact OD2-NE 2.97Å; D63-R67 IonicContact OD2-NH1 2.65Å; D63-R67 IonicContact OD2-NH2 3.42Å; D63-R67 PolarHBondContact OD2-NH2 3.26Å
64	T	87.1	Confident	85.3	Confident	84 Å²	84	82 Å²	82	52%	0.515	41%	0.407	S	S	.	.	H	α-helix	trans	-63.3	-41	175.3	-58.9	0	0	0	0	111.6	Q60 T61 I62	Q60-T64 WeakPolarHBondContact O-CB 3.34Å; Q60-T64 PolarHBondContact O-N 3.02Å; Q60-T64 PolarHBondContact O-OG1 2.85Å; T61-T64 PolarHBondContact O-N 3.45Å; I62-T64 PolarHBondContact O-N 2.89Å
65	Y	84.3	Confident	85.2	Confident	54 Å²	54	87 Å²	87	21%	0.212	43%	0.432	C	S	.	.	H	α-helix	trans	-78.5	-32.8	179.5	-77.1	-71.4	0	0	0	112.9	T61 I62 D63 R67 K68 V78 I81	T61-Y65 HydrophobicContact CG2-CD2 3.75Å; T61-Y65 HydrophobicContact CG2-CE2 3.59Å; T61-Y65 WeakPolarHBondContact O-CD2 3.34Å; T61-Y65 PolarHBondContact O-N 3.4Å; I62-Y65 PolarHBondContact O-N 3.38Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 3.49Å; Y65-R67 PolarHBondContact O-N 3.15Å; Y65-K68 HydrophobicContact CD1-CD 4.03Å; Y65-K68 WeakPolarHBondContact O-CB 3.46Å; Y65-K68 PolarHBondContact O-N 3.02Å; Y65-K68 VanDerWaalsContact O-N 3.1Å; Y65-V78 HydrophobicContact CD1-CG2 3.5Å; Y65-V78 HydrophobicContact CD2-CG1 4.05Å; Y65-V78 HydrophobicContact CD2-CG2 4.31Å; Y65-V78 HydrophobicContact CE1-CG2 4.19Å; Y65-V78 HydrophobicContact CG-CB 4.37Å; Y65-V78 HydrophobicContact CG-CG1 3.89Å; Y65-V78 HydrophobicContact CG-CG2 3.6Å; Y65-I81 HydrophobicContact CE1-CD1 4.38Å; Y65-I81 HydrophobicContact CE2-CD1 4.23Å; Y65-I81 HydrophobicContact CE2-CG2 4.19Å; Y65-I81 WeakPolarHBondContact OH-CD1 3.43Å
66	S	79.9	Confident	85.2	Confident	62 Å²	62	88.8 Å²	88.8	43%	0.434	44%	0.443	S	S	.	.	H	α-helix	trans	-64	-23.5	-178.8	68.3	0	0	0	0	113.1	I62 D63 K68	I62-S66 WeakPolarHBondContact O-CB 3.23Å; I62-S66 PolarHBondContact O-N 2.75Å; I62-S66 PolarHBondContact O-OG 2.76Å; D63-S66 WeakPolarHBondContact CA-OG 3.41Å; D63-S66 PolarHBondContact O-N 2.74Å; D63-S66 PolarHBondContact O-OG 2.93Å; S66-K68 VanDerWaalsContact C-N 3.31Å
67	R	84.8	Confident	85.2	Confident	179 Å²	179	91.3 Å²	91.3	68%	0.675	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.4	177.6	-65.5	173.6	-169.3	-171.3	1.1	114.3	D63 Y65	D63-R67 WeakPolarHBondContact O-CG 3.45Å; D63-R67 IonicContact OD1-CZ 2.74Å; D63-R67 IonicContact OD1-NE 3.19Å; D63-R67 PolarHBondContact OD1-NE 2.92Å; D63-R67 VanDerWaalsContact OD1-NE 3.11Å; D63-R67 IonicContact OD1-NH2 3.51Å; D63-R67 PolarHBondContact OD1-NH2 3.3Å; D63-R67 IonicContact OD2-CZ 3.11Å; D63-R67 IonicContact OD2-NE 2.97Å; D63-R67 IonicContact OD2-NH1 2.65Å; D63-R67 IonicContact OD2-NH2 3.42Å; D63-R67 PolarHBondContact OD2-NH2 3.26Å; Y65-R67 PolarHBondContact O-N 3.15Å
68	K	82.8	Confident	85.2	Confident	86 Å²	86	86.6 Å²	86.6	37%	0.374	43%	0.429	S	S	.	.			trans	-84.1	132.4	178.3	-63.3	-170.1	178.5	-176.5	0	110.7	Y65 S66 D70 L71	Y65-K68 HydrophobicContact CD1-CD 4.03Å; Y65-K68 WeakPolarHBondContact O-CB 3.46Å; Y65-K68 PolarHBondContact O-N 3.02Å; Y65-K68 VanDerWaalsContact O-N 3.1Å; S66-K68 VanDerWaalsContact C-N 3.31Å; K68-D70 PolarHBondContact O-N 3.47Å; K68-L71 VanDerWaalsContact O-CB 3.3Å; K68-L71 WeakPolarHBondContact O-CB 3.48Å; K68-L71 PolarHBondContact O-N 2.86Å; K68-L71 VanDerWaalsContact O-N 3.15Å
69	D	84.3	Confident	85.2	Confident	171 Å²	171	88.8 Å²	88.8	91%	0.914	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.7	-178.8	-61.6	-44.9	0	0	0	113.3
70	D	87.6	Confident	85.5	Confident	52 Å²	52	90.1 Å²	90.1	28%	0.278	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	22.7	179.6	68.9	-17.4	0	0	0	113.6	K68 D72 K73 K74	K68-D70 PolarHBondContact O-N 3.47Å; D70-D72 PolarHBondContact O-N 3.09Å; D70-K73 PolarHBondContact O-N 3.24Å; D70-K73 VanDerWaalsContact O-N 3.08Å; D70-K74 PolarHBondContact O-N 3.06Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-K74 IonicContact OD1-NZ 3.95Å; D70-K74 WeakPolarHBondContact OD2-CD 3.24Å; D70-K74 WeakPolarHBondContact OD2-CE 3.43Å; D70-K74 IonicContact OD2-NZ 3.76Å; D70-K74 PolarHBondContact OD2-NZ 3.04Å
71	L	80.7	Confident	85.6	Confident	47 Å²	47	85.9 Å²	85.9	25%	0.246	43%	0.43	C	S	.	.	H	α-helix	trans	-55.6	-38.5	-179.7	177.7	64.4	0	0	0	112.4	K68 K73 K74 L75 V78	K68-L71 VanDerWaalsContact O-CB 3.3Å; K68-L71 WeakPolarHBondContact O-CB 3.48Å; K68-L71 PolarHBondContact O-N 2.86Å; K68-L71 VanDerWaalsContact O-N 3.15Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.43Å; L71-K74 CarbonylContact O-C 3.49Å; L71-K74 PolarHBondContact O-N 2.92Å; L71-K74 VanDerWaalsContact O-N 3.14Å; L71-L75 HydrophobicContact CD1-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CA 3.16Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 PolarHBondContact O-N 3.08Å; L71-V78 HydrophobicContact CD1-CG2 4.19Å
72	D	82.2	Confident	85.7	Confident	122 Å²	122	86.9 Å²	86.9	65%	0.652	44%	0.435	S	S	*	.	H	α-helix	trans	-57	-40.9	177.6	65	-35.2	0	0	0	112	D70	D70-D72 PolarHBondContact O-N 3.09Å
73	K	85	Confident	86	Confident	175 Å²	175	85 Å²	85	76%	0.761	43%	0.432	S	S	*	.	H	α-helix	trans	-77.5	-27.3	178	-63	176.1	-172.4	176.1	0	112.7	D70 L71	D70-K73 PolarHBondContact O-N 3.24Å; D70-K73 VanDerWaalsContact O-N 3.08Å; L71-K73 VanDerWaalsContact C-N 3.26Å; L71-K73 PolarHBondContact O-N 3.43Å
74	K	84.8	Confident	86.3	Confident	76 Å²	76	88.7 Å²	88.7	33%	0.33	44%	0.441	S	S	.	.	H	α-helix	trans	-102.2	0.6	-176.4	-71.3	-177.8	174.1	156.4	0	114.4	D70 L71 L76 E77 V78	D70-K74 PolarHBondContact O-N 3.06Å; D70-K74 VanDerWaalsContact O-N 3.07Å; D70-K74 IonicContact OD1-NZ 3.95Å; D70-K74 WeakPolarHBondContact OD2-CD 3.24Å; D70-K74 WeakPolarHBondContact OD2-CE 3.43Å; D70-K74 IonicContact OD2-NZ 3.76Å; D70-K74 PolarHBondContact OD2-NZ 3.04Å; L71-K74 CarbonylContact O-C 3.49Å; L71-K74 PolarHBondContact O-N 2.92Å; L71-K74 VanDerWaalsContact O-N 3.14Å; K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.83Å; K74-L76 VanDerWaalsContact O-N 3.16Å; K74-E77 WeakPolarHBondContact O-CA 3.32Å; K74-E77 WeakPolarHBondContact O-CB 3.45Å; K74-E77 PolarHBondContact O-N 3.33Å; K74-V78 HydrophobicContact CB-CG2 4.45Å; K74-V78 WeakPolarHBondContact O-CG2 3.47Å; K74-V78 PolarHBondContact O-N 2.96Å
75	L	85.7	Confident	86.4	Confident	106 Å²	106	90 Å²	90	56%	0.555	44%	0.436	S	S	*	.	H	α-helix	trans	-55.5	-41.5	-172.3	-172.2	66.2	0	0	0	112.6	L71 E77 V78 A79	L71-L75 HydrophobicContact CD1-CD1 4.37Å; L71-L75 WeakPolarHBondContact O-CA 3.16Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 PolarHBondContact O-N 3.08Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.89Å; L75-V78 PolarHBondContact O-N 2.88Å; L75-A79 WeakPolarHBondContact O-CB 3.37Å; L75-A79 PolarHBondContact O-N 3.27Å
76	L	87	Confident	86.6	Confident	123 Å²	123	90.3 Å²	90.3	64%	0.644	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-40.6	176.6	179.8	62.3	0	0	0	112.2	K74 A79 K80	K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.83Å; K74-L76 VanDerWaalsContact O-N 3.16Å; L76-A79 PolarHBondContact O-N 2.83Å; L76-K80 WeakPolarHBondContact O-CG 3.38Å; L76-K80 PolarHBondContact O-N 3.46Å
77	E	88.8	Confident	87.1	Confident	109 Å²	109	93.6 Å²	93.6	51%	0.509	45%	0.45	S	S	.	.	H	α-helix	trans	-67	-43.5	177.1	-169.3	-177.9	-179.2	0	0	110.9	K74 L75 A79 K80 I81	K74-E77 WeakPolarHBondContact O-CA 3.32Å; K74-E77 WeakPolarHBondContact O-CB 3.45Å; K74-E77 PolarHBondContact O-N 3.33Å; L75-E77 VanDerWaalsContact C-N 3.35Å; L75-E77 PolarHBondContact O-N 2.89Å; E77-A79 PolarHBondContact O-N 3.31Å; E77-K80 WeakPolarHBondContact O-CB 3.48Å; E77-K80 PolarHBondContact O-N 3.13Å; E77-I81 HydrophobicContact CG-CD1 4.34Å; E77-I81 WeakPolarHBondContact O-CG1 3.24Å; E77-I81 PolarHBondContact O-N 3.24Å
78	V	86.7	Confident	87.3	Confident	9 Å²	9	92.1 Å²	92.1	6%	0.055	45%	0.448	C	S	.	.	H	α-helix	trans	-60.3	-45.1	175	176.2	0	0	0	0	110.7	Y65 L71 K74 L75 K80 I81 I82	Y65-V78 HydrophobicContact CD1-CG2 3.5Å; Y65-V78 HydrophobicContact CD2-CG1 4.05Å; Y65-V78 HydrophobicContact CD2-CG2 4.31Å; Y65-V78 HydrophobicContact CE1-CG2 4.19Å; Y65-V78 HydrophobicContact CG-CB 4.37Å; Y65-V78 HydrophobicContact CG-CG1 3.89Å; Y65-V78 HydrophobicContact CG-CG2 3.6Å; L71-V78 HydrophobicContact CD1-CG2 4.19Å; K74-V78 HydrophobicContact CB-CG2 4.45Å; K74-V78 WeakPolarHBondContact O-CG2 3.47Å; K74-V78 PolarHBondContact O-N 2.96Å; L75-V78 PolarHBondContact O-N 2.88Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.31Å; V78-I81 WeakPolarHBondContact O-CB 3.26Å; V78-I81 PolarHBondContact O-N 3.11Å; V78-I81 VanDerWaalsContact O-N 3.1Å; V78-I82 HydrophobicContact CG1-CD1 3.7Å; V78-I82 HydrophobicContact CG1-CG1 4.43Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.46Å
79	A	88.3	Confident	87.6	Confident	54 Å²	54	91.7 Å²	91.7	45%	0.446	44%	0.444	S	S	.	.	H	α-helix	trans	-59.4	-43.3	175.3	0	0	0	0	0	111.8	L75 L76 E77 I81 I82 G83	L75-A79 WeakPolarHBondContact O-CB 3.37Å; L75-A79 PolarHBondContact O-N 3.27Å; L76-A79 PolarHBondContact O-N 2.83Å; E77-A79 PolarHBondContact O-N 3.31Å; A79-I81 VanDerWaalsContact C-N 3.31Å; A79-I81 PolarHBondContact O-N 2.96Å; A79-I82 PolarHBondContact O-N 3.47Å; A79-G83 PolarHBondContact O-N 3.44Å
80	K	91.7	Very high	87.8	Confident	127 Å²	127	89.9 Å²	89.9	55%	0.552	43%	0.43	S	S	*	.	H	α-helix	trans	-62.6	-35.7	173.9	-73.7	175.1	179.6	-178.9	0	112.7	L76 E77 V78 R84	L76-K80 WeakPolarHBondContact O-CG 3.38Å; L76-K80 PolarHBondContact O-N 3.46Å; E77-K80 WeakPolarHBondContact O-CB 3.48Å; E77-K80 PolarHBondContact O-N 3.13Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.31Å; K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 WeakPolarHBondContact O-CG 3.46Å; K80-R84 PolarHBondContact O-N 2.95Å; K80-R84 VanDerWaalsContact O-N 3.13Å; K80-R84 PolarHBondContact O-NE 2.97Å
81	I	90.2	Very high	87.9	Confident	27 Å²	27	92.1 Å²	92.1	14%	0.138	44%	0.439	C	S	.	.	H	α-helix	trans	-69.2	-44.7	176.7	-69.2	167.6	0	0	0	110.5	T61 Y65 E77 V78 A79 R85	T61-I81 HydrophobicContact CG2-CG2 4.21Å; Y65-I81 HydrophobicContact CE1-CD1 4.38Å; Y65-I81 HydrophobicContact CE2-CD1 4.23Å; Y65-I81 HydrophobicContact CE2-CG2 4.19Å; Y65-I81 WeakPolarHBondContact OH-CD1 3.43Å; E77-I81 HydrophobicContact CG-CD1 4.34Å; E77-I81 WeakPolarHBondContact O-CG1 3.24Å; E77-I81 PolarHBondContact O-N 3.24Å; V78-I81 WeakPolarHBondContact O-CB 3.26Å; V78-I81 PolarHBondContact O-N 3.11Å; V78-I81 VanDerWaalsContact O-N 3.1Å; A79-I81 VanDerWaalsContact C-N 3.31Å; A79-I81 PolarHBondContact O-N 2.96Å; I81-R85 WeakPolarHBondContact O-CG 3.34Å; I81-R85 PolarHBondContact O-N 3.46Å; I81-R85 VanDerWaalsContact O-N 3.09Å
82	I	88.5	Confident	88.4	Confident	32 Å²	32	94.9 Å²	94.9	16%	0.164	45%	0.447	C	S	.	.	H	α-helix	trans	-64	-46.4	177.6	-66.6	160.5	0	0	0	110.4	I58 I62 V78 A79 R84 R85 L86	I58-I82 HydrophobicContact CG2-CG2 4Å; I62-I82 HydrophobicContact CD1-CD1 4.22Å; I62-I82 HydrophobicContact CG1-CD1 3.45Å; I62-I82 VanDerWaalsContact CG1-CD1 3.45Å; I62-I82 HydrophobicContact CG1-CG1 3.95Å; V78-I82 HydrophobicContact CG1-CD1 3.7Å; V78-I82 HydrophobicContact CG1-CG1 4.43Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.46Å; A79-I82 PolarHBondContact O-N 3.47Å; I82-R84 PolarHBondContact O-N 2.82Å; I82-R85 WeakPolarHBondContact O-CB 3.4Å; I82-R85 PolarHBondContact O-N 3.27Å; I82-L86 HydrophobicContact CG2-CD1 4.05Å; I82-L86 PolarHBondContact O-N 3.46Å
83	G	89.2	Confident	88.7	Confident	26 Å²	26	90.6 Å²	90.6	27%	0.268	42%	0.424	S	S	.	.	H	α-helix	trans	-55.2	-50.2	176.5	0	0	0	0	0	112.1	A79 R85 L86 E87	A79-G83 PolarHBondContact O-N 3.44Å; G83-R85 VanDerWaalsContact C-N 3.25Å; G83-R85 PolarHBondContact O-N 3.23Å; G83-L86 WeakPolarHBondContact O-CB 3.43Å; G83-L86 PolarHBondContact O-N 3.35Å; G83-L86 VanDerWaalsContact O-N 3.08Å; G83-E87 WeakPolarHBondContact O-CG 3.39Å; G83-E87 PolarHBondContact O-N 3.42Å
84	R	92	Very high	88.9	Confident	141 Å²	141	85.1 Å²	85.1	53%	0.532	41%	0.411	S	S	.	.	H	α-helix	trans	-60.5	-32.1	175.5	-76	-174.7	-74.4	-165.5	-0.5	113.5	K80 I82 K88	K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 WeakPolarHBondContact O-CG 3.46Å; K80-R84 PolarHBondContact O-N 2.95Å; K80-R84 VanDerWaalsContact O-N 3.13Å; K80-R84 PolarHBondContact O-NE 2.97Å; I82-R84 PolarHBondContact O-N 2.82Å; R84-K88 WeakPolarHBondContact O-CG 3.34Å; R84-K88 PolarHBondContact O-N 3.1Å
85	R	89.2	Confident	89.2	Confident	111 Å²	111	89 Å²	89	42%	0.419	42%	0.424	S	S	.	.	H	α-helix	trans	-72.6	-38.3	175.4	-75	-179.6	175.7	-122.1	-1.3	111.8	I58 T61 I81 I82 G83 R89	I58-R85 HydrophobicContact CG1-CB 4.14Å; T61-R85 PolarHBondContact OG1-NH1 2.9Å; I81-R85 WeakPolarHBondContact O-CG 3.34Å; I81-R85 PolarHBondContact O-N 3.46Å; I81-R85 VanDerWaalsContact O-N 3.09Å; I82-R85 WeakPolarHBondContact O-CB 3.4Å; I82-R85 PolarHBondContact O-N 3.27Å; G83-R85 VanDerWaalsContact C-N 3.25Å; G83-R85 PolarHBondContact O-N 3.23Å; R85-R89 WeakPolarHBondContact O-CB 3.45Å; R85-R89 VanDerWaalsContact O-CG 3.23Å; R85-R89 WeakPolarHBondContact O-CG 3.43Å; R85-R89 PolarHBondContact O-N 3.43Å; R85-R89 VanDerWaalsContact O-N 3.08Å
86	L	88.8	Confident	89.2	Confident	61 Å²	61	86.5 Å²	86.5	32%	0.319	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-46.6	174.6	-74.2	166	0	0	0	111.2	M55 I58 I82 G83 K88 R89 H90	M55-L86 HydrophobicContact CE-CD2 4.4Å; I58-L86 HydrophobicContact CD1-CD2 3.46Å; I58-L86 VanDerWaalsContact CD1-CD2 3.46Å; I58-L86 HydrophobicContact CD1-CG 3.92Å; I82-L86 HydrophobicContact CG2-CD1 4.05Å; I82-L86 PolarHBondContact O-N 3.46Å; G83-L86 WeakPolarHBondContact O-CB 3.43Å; G83-L86 PolarHBondContact O-N 3.35Å; G83-L86 VanDerWaalsContact O-N 3.08Å; L86-K88 PolarHBondContact O-N 2.94Å; L86-R89 WeakPolarHBondContact O-CA 3.4Å; L86-R89 WeakPolarHBondContact O-CB 3.36Å; L86-R89 PolarHBondContact O-N 3Å; L86-H90 PolarHBondContact O-N 3.21Å; L86-H90 PolarHBondContact O-ND1 3.48Å
87	E	90.1	Very high	89.2	Confident	131 Å²	131	83.9 Å²	83.9	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-55.7	-52	175.8	-73.2	168	-176	0	0	111.7	G83 R89 H90 E91	G83-E87 WeakPolarHBondContact O-CG 3.39Å; G83-E87 PolarHBondContact O-N 3.42Å; E87-R89 PolarHBondContact O-N 3.47Å; E87-H90 PolarHBondContact O-N 2.89Å; E87-H90 VanDerWaalsContact O-N 3.16Å; E87-E91 PolarHBondContact O-N 3.41Å
88	K	90.8	Very high	89.1	Confident	149 Å²	149	84.2 Å²	84.2	65%	0.648	40%	0.396	S	S	*	.	H	α-helix	trans	-59.6	-31	176.7	-74.3	-177.4	179	-170	0	112.9	R84 L86 Y92	R84-K88 WeakPolarHBondContact O-CG 3.34Å; R84-K88 PolarHBondContact O-N 3.1Å; L86-K88 PolarHBondContact O-N 2.94Å; K88-Y92 WeakPolarHBondContact O-CB 3.26Å; K88-Y92 PolarHBondContact O-N 3.37Å
89	R	87.6	Confident	89	Confident	76 Å²	76	89.5 Å²	89.5	29%	0.287	42%	0.419	S	S	.	.	H	α-helix	trans	-74.5	-42	176.9	-76.1	-70	173.2	-151	-9.6	112.1	I58 R85 L86 E87 E91 Y92 L93	I58-R89 HydrophobicContact CD1-CG 4.24Å; R85-R89 WeakPolarHBondContact O-CB 3.45Å; R85-R89 VanDerWaalsContact O-CG 3.23Å; R85-R89 WeakPolarHBondContact O-CG 3.43Å; R85-R89 PolarHBondContact O-N 3.43Å; R85-R89 VanDerWaalsContact O-N 3.08Å; L86-R89 WeakPolarHBondContact O-CA 3.4Å; L86-R89 WeakPolarHBondContact O-CB 3.36Å; L86-R89 PolarHBondContact O-N 3Å; E87-R89 PolarHBondContact O-N 3.47Å; R89-E91 VanDerWaalsContact C-N 3.34Å; R89-Y92 PolarHBondContact O-N 3.48Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.83Å
90	H	88.4	Confident	88.7	Confident	133 Å²	133	88.7 Å²	88.7	62%	0.616	41%	0.407	S	S	*	.	H	α-helix	trans	-60.1	-46	172.6	-75	135.8	0	0	0	111.3	L86 E87 Y92 L93 A94	L86-H90 PolarHBondContact O-N 3.21Å; L86-H90 PolarHBondContact O-ND1 3.48Å; E87-H90 PolarHBondContact O-N 2.89Å; E87-H90 VanDerWaalsContact O-N 3.16Å; H90-Y92 VanDerWaalsContact C-N 3.35Å; H90-Y92 PolarHBondContact O-N 2.85Å; H90-L93 PolarHBondContact O-N 2.85Å; H90-A94 WeakPolarHBondContact O-CB 3.28Å; H90-A94 PolarHBondContact O-N 3.36Å
91	E	91	Very high	88.3	Confident	100 Å²	100	86 Å²	86	47%	0.467	40%	0.398	S	S	.	.	H	α-helix	trans	-60.2	-44	177.1	-171.2	-177.8	-176.1	0	0	112	E87 R89 A94 R95	E87-E91 PolarHBondContact O-N 3.41Å; R89-E91 VanDerWaalsContact C-N 3.34Å; E91-A94 PolarHBondContact O-N 2.95Å; E91-R95 WeakPolarHBondContact O-CG 3.3Å; E91-R95 PolarHBondContact O-N 3.28Å; E91-R95 IonicContact OE1-CZ 3.46Å; E91-R95 IonicContact OE1-NE 3.62Å; E91-R95 IonicContact OE1-NH2 2.67Å; E91-R95 PolarHBondContact OE1-NH2 3.21Å
92	Y	90.2	Very high	87.7	Confident	105 Å²	105	89.7 Å²	89.7	41%	0.412	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-45.7	175.5	173.6	-96.2	0	0	0	112.4	K88 R89 H90 R95 K96	K88-Y92 WeakPolarHBondContact O-CB 3.26Å; K88-Y92 PolarHBondContact O-N 3.37Å; R89-Y92 PolarHBondContact O-N 3.48Å; H90-Y92 VanDerWaalsContact C-N 3.35Å; H90-Y92 PolarHBondContact O-N 2.85Å; Y92-R95 PolarHBondContact O-N 3.19Å; Y92-K96 HydrophobicContact CE1-CD 3.97Å; Y92-K96 WeakPolarHBondContact O-CB 3.46Å; Y92-K96 PolarHBondContact O-N 3.1Å
93	L	89.1	Confident	86.7	Confident	32 Å²	32	94.8 Å²	94.8	17%	0.168	44%	0.437	C	S	.	.	H	α-helix	trans	-65.7	-39.8	179.8	-72.2	172.4	0	0	0	111.5	L47 M51 R89 H90 K96 L97	L47-L93 HydrophobicContact CD2-CD2 4.15Å; M51-L93 HydrophobicContact CB-CD1 4.25Å; M51-L93 HydrophobicContact CG-CD1 4.4Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.83Å; H90-L93 PolarHBondContact O-N 2.85Å; L93-K96 PolarHBondContact O-N 2.65Å; L93-L97 WeakPolarHBondContact O-CB 3.03Å; L93-L97 PolarHBondContact O-N 3.16Å
94	A	89.4	Confident	85.4	Confident	60 Å²	60	96.1 Å²	96.1	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-60.3	-50.9	176	0	0	0	0	0	111.5	H90 E91 K96 L97 E98	H90-A94 WeakPolarHBondContact O-CB 3.28Å; H90-A94 PolarHBondContact O-N 3.36Å; E91-A94 PolarHBondContact O-N 2.95Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.92Å; A94-L97 PolarHBondContact O-N 2.93Å; A94-E98 WeakPolarHBondContact O-CB 3.37Å; A94-E98 PolarHBondContact O-N 3.31Å
95	R	90.2	Very high	83.7	Confident	158 Å²	158	94.9 Å²	94.9	60%	0.596	45%	0.45	S	S	*	.	H	α-helix	trans	-61	-38.2	176.2	-68.6	-177.1	-168.6	-165.9	3	112.4	E91 Y92 E98 F99	E91-R95 WeakPolarHBondContact O-CG 3.3Å; E91-R95 PolarHBondContact O-N 3.28Å; E91-R95 IonicContact OE1-CZ 3.46Å; E91-R95 IonicContact OE1-NE 3.62Å; E91-R95 IonicContact OE1-NH2 2.67Å; E91-R95 PolarHBondContact OE1-NH2 3.21Å; Y92-R95 PolarHBondContact O-N 3.19Å; R95-E98 PolarHBondContact O-N 3.15Å; R95-F99 WeakPolarHBondContact O-CB 3.34Å; R95-F99 PolarHBondContact O-N 3.46Å
96	K	87.1	Confident	81.7	Confident	53 Å²	53	97.6 Å²	97.6	23%	0.23	49%	0.485	C	S	.	.	H	α-helix	trans	-67.9	-40.7	178.5	-165.7	173.9	-168.4	175.6	0	111.7	T46 L47 S50 Y92 L93 A94 L100	T46-K96 HydrophobicContact CG2-CD 4.45Å; T46-K96 VanDerWaalsContact CG2-CE 3.48Å; L47-K96 HydrophobicContact CD2-CB 4.29Å; L47-K96 HydrophobicContact CD2-CG 4.43Å; S50-K96 PolarHBondContact OG-NZ 3.49Å; Y92-K96 HydrophobicContact CE1-CD 3.97Å; Y92-K96 WeakPolarHBondContact O-CB 3.46Å; Y92-K96 PolarHBondContact O-N 3.1Å; L93-K96 PolarHBondContact O-N 2.65Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.92Å; K96-L100 HydrophobicContact CG-CD1 4.16Å; K96-L100 WeakPolarHBondContact O-CB 3.35Å; K96-L100 VanDerWaalsContact O-CG 3.22Å; K96-L100 WeakPolarHBondContact O-CG 3.5Å; K96-L100 PolarHBondContact O-N 3.5Å
97	L	86	Confident	81.3	Confident	67 Å²	67	99.4 Å²	99.4	35%	0.351	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-46.9	174.6	173.3	63.5	0	0	0	110.7	V43 L47 L93 A94 F99 L100 L101	V43-L97 HydrophobicContact CG1-CD1 3.97Å; L47-L97 HydrophobicContact CD1-CB 4.04Å; L47-L97 HydrophobicContact CD1-CD1 3.58Å; L47-L97 HydrophobicContact CD1-CG 4.29Å; L47-L97 HydrophobicContact CD2-CB 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.03Å; L93-L97 PolarHBondContact O-N 3.16Å; A94-L97 PolarHBondContact O-N 2.93Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.24Å; L97-L100 PolarHBondContact O-N 3.07Å; L97-L101 HydrophobicContact CD1-CD1 3.82Å; L97-L101 HydrophobicContact CD1-CD2 4.4Å; L97-L101 HydrophobicContact CD1-CG 3.84Å; L97-L101 HydrophobicContact CG-CD1 3.91Å; L97-L101 HydrophobicContact CG-CG 4.31Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.93Å
98	E	87.1	Confident	80.8	Confident	117 Å²	117	97.7 Å²	97.7	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-55.9	-48.5	176.6	-169.1	-173	-179.8	0	0	111.4	A94 R95 L100 L101 M102	A94-E98 WeakPolarHBondContact O-CB 3.37Å; A94-E98 PolarHBondContact O-N 3.31Å; R95-E98 PolarHBondContact O-N 3.15Å; E98-L100 PolarHBondContact O-N 3.45Å; E98-L101 PolarHBondContact O-N 3.4Å; E98-M102 HydrophobicContact CG-CE 3.72Å; E98-M102 WeakPolarHBondContact O-CG 3.36Å; E98-M102 PolarHBondContact O-N 3.26Å; E98-M102 VanDerWaalsContact O-N 3.1Å
99	F	83.7	Confident	80.3	Confident	120 Å²	120	94.9 Å²	94.9	53%	0.526	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-49.7	175	178.6	-90.9	0	0	0	112	R95 L97 L101 M102 F103	R95-F99 WeakPolarHBondContact O-CB 3.34Å; R95-F99 PolarHBondContact O-N 3.46Å; L97-F99 VanDerWaalsContact C-N 3.34Å; L97-F99 PolarHBondContact O-N 3.24Å; F99-L101 VanDerWaalsContact C-N 3.3Å; F99-L101 PolarHBondContact O-N 3.32Å; F99-M102 PolarHBondContact O-N 3.14Å; F99-F103 HydrophobicContact CD1-CD2 4.28Å; F99-F103 HydrophobicContact CD1-CE2 4.32Å; F99-F103 AromaticContact CD2-CE2 3.85Å; F99-F103 HydrophobicContact CD2-CE2 3.85Å; F99-F103 AromaticContact CE1-CD2 3.98Å; F99-F103 HydrophobicContact CE1-CD2 3.98Å; F99-F103 AromaticContact CE1-CE2 3.9Å; F99-F103 HydrophobicContact CE1-CE2 3.9Å; F99-F103 HydrophobicContact CE2-CD2 4.27Å; F99-F103 AromaticContact CE2-CE2 3.4Å; F99-F103 HydrophobicContact CE2-CE2 3.4Å; F99-F103 VanDerWaalsContact CE2-CE2 3.4Å; F99-F103 HydrophobicContact CE2-CZ 4.18Å; F99-F103 HydrophobicContact CG-CE2 4.3Å; F99-F103 AromaticContact CZ-CD2 3.98Å; F99-F103 HydrophobicContact CZ-CD2 3.98Å; F99-F103 AromaticContact CZ-CE2 3.42Å; F99-F103 HydrophobicContact CZ-CE2 3.42Å; F99-F103 VanDerWaalsContact CZ-CE2 3.42Å; F99-F103 HydrophobicContact CZ-CZ 4.23Å; F99-F103 WeakPolarHBondContact O-CD2 3.42Å
100	L	83.2	Confident	79.9	Confident	37 Å²	37	96 Å²	96	19%	0.194	49%	0.489	C	S	.	.	H	α-helix	trans	-63.8	-36.2	-179.2	-72.5	169.4	0	0	0	112.3	V43 T46 L47 K96 L97 E98 F103 S104	V43-L100 HydrophobicContact CG1-CB 3.95Å; V43-L100 HydrophobicContact CG1-CD1 4.02Å; V43-L100 HydrophobicContact CG2-CB 4.16Å; T46-L100 HydrophobicContact CG2-CD1 3.99Å; L47-L100 HydrophobicContact CG-CD1 4.34Å; K96-L100 HydrophobicContact CG-CD1 4.16Å; K96-L100 WeakPolarHBondContact O-CB 3.35Å; K96-L100 VanDerWaalsContact O-CG 3.22Å; K96-L100 WeakPolarHBondContact O-CG 3.5Å; K96-L100 PolarHBondContact O-N 3.5Å; L97-L100 PolarHBondContact O-N 3.07Å; E98-L100 PolarHBondContact O-N 3.45Å; L100-F103 PolarHBondContact O-N 2.78Å; L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.08Å; L100-S104 VanDerWaalsContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.45Å
101	L	81.8	Confident	79.3	Confident	70 Å²	70	93.7 Å²	93.7	37%	0.366	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-41.2	178.6	-74.5	176.1	0	0	0	112	L97 E98 F99 F103 S104 T105	L97-L101 HydrophobicContact CD1-CD1 3.82Å; L97-L101 HydrophobicContact CD1-CD2 4.4Å; L97-L101 HydrophobicContact CD1-CG 3.84Å; L97-L101 HydrophobicContact CG-CD1 3.91Å; L97-L101 HydrophobicContact CG-CG 4.31Å; L97-L101 WeakPolarHBondContact O-CB 3.38Å; L97-L101 WeakPolarHBondContact O-CG 3.45Å; L97-L101 PolarHBondContact O-N 2.93Å; E98-L101 PolarHBondContact O-N 3.4Å; F99-L101 VanDerWaalsContact C-N 3.3Å; F99-L101 PolarHBondContact O-N 3.32Å; L101-F103 PolarHBondContact O-N 3.36Å; L101-S104 WeakPolarHBondContact CA-OG 3.36Å; L101-S104 PolarHBondContact O-N 3.07Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.26Å; L101-T105 PolarHBondContact O-N 3.19Å; L101-T105 PolarHBondContact O-OG1 3.17Å
102	M	78.9	Confident	78.5	Confident	105 Å²	105	93.3 Å²	93.3	52%	0.517	48%	0.482	S	S	.	.	H	α-helix	trans	-55	-38	176.9	-72.8	-173.3	-140.2	0	0	112.8	E98 F99	E98-M102 HydrophobicContact CG-CE 3.72Å; E98-M102 WeakPolarHBondContact O-CG 3.36Å; E98-M102 PolarHBondContact O-N 3.26Å; E98-M102 VanDerWaalsContact O-N 3.1Å; F99-M102 PolarHBondContact O-N 3.14Å
103	F	67.4	Low	77.7	Confident	138 Å²	138	92.4 Å²	92.4	61%	0.605	49%	0.487	S	S	*	.	H	α-helix	trans	-87.8	-19.4	179.2	-66.9	-76.2	0	0	0	113.8	F99 L100 L101	F99-F103 HydrophobicContact CD1-CD2 4.28Å; F99-F103 HydrophobicContact CD1-CE2 4.32Å; F99-F103 AromaticContact CD2-CE2 3.85Å; F99-F103 HydrophobicContact CD2-CE2 3.85Å; F99-F103 AromaticContact CE1-CD2 3.98Å; F99-F103 HydrophobicContact CE1-CD2 3.98Å; F99-F103 AromaticContact CE1-CE2 3.9Å; F99-F103 HydrophobicContact CE1-CE2 3.9Å; F99-F103 HydrophobicContact CE2-CD2 4.27Å; F99-F103 AromaticContact CE2-CE2 3.4Å; F99-F103 HydrophobicContact CE2-CE2 3.4Å; F99-F103 VanDerWaalsContact CE2-CE2 3.4Å; F99-F103 HydrophobicContact CE2-CZ 4.18Å; F99-F103 HydrophobicContact CG-CE2 4.3Å; F99-F103 AromaticContact CZ-CD2 3.98Å; F99-F103 HydrophobicContact CZ-CD2 3.98Å; F99-F103 AromaticContact CZ-CE2 3.42Å; F99-F103 HydrophobicContact CZ-CE2 3.42Å; F99-F103 VanDerWaalsContact CZ-CE2 3.42Å; F99-F103 HydrophobicContact CZ-CZ 4.23Å; F99-F103 WeakPolarHBondContact O-CD2 3.42Å; L100-F103 PolarHBondContact O-N 2.78Å; L101-F103 PolarHBondContact O-N 3.36Å
104	S	61.6	Low	76.8	Confident	54 Å²	54	97.1 Å²	97.1	38%	0.378	51%	0.511	S	S	.	.	H	α-helix	trans	-80	-19.3	178.8	71.9	0	0	0	0	113.8	L100 L101	L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.08Å; L100-S104 VanDerWaalsContact O-N 3.1Å; L100-S104 PolarHBondContact O-OG 3.45Å; L101-S104 WeakPolarHBondContact CA-OG 3.36Å; L101-S104 PolarHBondContact O-N 3.07Å; L101-S104 VanDerWaalsContact O-N 3.09Å; L101-S104 PolarHBondContact O-OG 3.26Å
105	T	56.9	Low	75.8	Confident	115 Å²	115	100.2 Å²	100.2	71%	0.706	51%	0.513	S	S	*	.			trans	-96.9	0.6	-177.6	53.6	0	0	0	0	114.5	L101	L101-T105 PolarHBondContact O-N 3.19Å; L101-T105 PolarHBondContact O-OG1 3.17Å
106	C	45.5	Very low	74.5	Confident	168 Å²	168	94.9 Å²	94.9	100%	1.135	51%	0.505	S	S	*	.			trans	-102.7	0	175.7	-65.3	0	0	0	0	110.8

Retrieved 106 of 106 residues in 80.3 ms (Link to these results)

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