A0A077ZBV4_TRITR Loading...

EST1 DNA bind and PIN 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 747 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	86.6	Confident	89.2	Confident	122 Å²	122	63.2 Å²	63.2	60%	0.601	38%	0.377	S	S	*	.				0	-60.9	0	-174.2	164.1	-177	0	0	110.8	D3 A4 C5 L23 K27	M1-D3 PolarHBondContact O-N 2.82Å; M1-A4 WeakPolarHBondContact O-CB 3.05Å; M1-A4 PolarHBondContact O-N 2.88Å; M1-A4 VanDerWaalsContact O-N 3.1Å; M1-C5 PolarHBondContact O-N 3.24Å; M1-C5 PolarHBondContact O-SG 2.86Å; M1-L23 HydrophobicContact CE-CD1 3.79Å; M1-L23 HydrophobicContact CE-CD2 3.82Å; M1-L23 HydrophobicContact CE-CG 3.54Å; M1-K27 HydrophobicContact CE-CB 3.49Å; M1-K27 VanDerWaalsContact CE-CB 3.49Å; M1-K27 HydrophobicContact CE-CG 3.67Å; M1-K27 HydrophobicContact SD-CB 3.85Å
2	R	89	Confident	88.3	Confident	99 Å²	99	60.3 Å²	60.3	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-42.4	-57.7	173.2	-174.2	-171.3	66.3	-159.1	-5.5	113.6	A4 C5 E6 M24 Y29 Y61	R2-A4 VanDerWaalsContact C-N 3.26Å; R2-A4 PolarHBondContact O-N 3.24Å; R2-C5 WeakPolarHBondContact O-CA 3.2Å; R2-C5 WeakPolarHBondContact O-CB 3.47Å; R2-C5 PolarHBondContact O-N 3.29Å; R2-E6 PolarHBondContact O-N 3.01Å; R2-M24 HydrophobicContact CG-CG 4.23Å; R2-M24 HydrophobicContact CG-SD 4.06Å; R2-Y29 VanDerWaalsContact CD-OH 3.28Å; R2-Y29 WeakPolarHBondContact CD-OH 3.03Å; R2-Y61 VanDerWaalsContact CD-CE2 3.47Å; R2-Y61 HydrophobicContact CG-CD2 4.5Å; R2-Y61 HydrophobicContact CG-CE1 4.04Å; R2-Y61 HydrophobicContact CG-CE2 3.82Å
3	D	89.3	Confident	87.1	Confident	96 Å²	96	60 Å²	60	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-32.8	-176.3	-49.2	-14.4	0	0	0	113.2	M1 T7	M1-D3 PolarHBondContact O-N 2.82Å; D3-T7 WeakPolarHBondContact O-CB 3.11Å; D3-T7 PolarHBondContact O-N 2.73Å; D3-T7 PolarHBondContact O-OG1 3.02Å
4	A	91.1	Very high	86.3	Confident	63 Å²	63	61.8 Å²	61.8	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-39.8	174.9	0	0	0	0	0	111.6	M1 R2 T7 V8	M1-A4 WeakPolarHBondContact O-CB 3.05Å; M1-A4 PolarHBondContact O-N 2.88Å; M1-A4 VanDerWaalsContact O-N 3.1Å; R2-A4 VanDerWaalsContact C-N 3.26Å; R2-A4 PolarHBondContact O-N 3.24Å; A4-T7 PolarHBondContact O-N 3.47Å; A4-V8 WeakPolarHBondContact O-CG2 3.44Å; A4-V8 PolarHBondContact O-N 3.32Å; A4-V8 VanDerWaalsContact O-N 3.12Å
5	C	91.5	Very high	85.7	Confident	10 Å²	10	66.7 Å²	66.7	7%	0.068	39%	0.386	C	S	.	.	H	α-helix	trans	-67	-43.5	175.4	-60.6	0	0	0	0	111.2	M1 R2 T7 V8 M9 A20 M24	M1-C5 PolarHBondContact O-N 3.24Å; M1-C5 PolarHBondContact O-SG 2.86Å; R2-C5 WeakPolarHBondContact O-CA 3.2Å; R2-C5 WeakPolarHBondContact O-CB 3.47Å; R2-C5 PolarHBondContact O-N 3.29Å; C5-T7 VanDerWaalsContact C-N 3.32Å; C5-T7 PolarHBondContact O-N 2.88Å; C5-V8 PolarHBondContact O-N 2.69Å; C5-M9 VanDerWaalsContact O-CB 3.28Å; C5-M9 WeakPolarHBondContact O-CB 2.82Å; C5-M9 PolarHBondContact O-N 2.89Å; C5-A20 HydrophobicContact CB-CB 4.41Å; C5-A20 WeakPolarHBondContact CB-O 3.4Å; C5-M24 HydrophobicContact CB-CB 3.7Å; C5-M24 HydrophobicContact CB-CG 4.35Å; C5-M24 HydrophobicContact CB-SD 4.44Å
6	E	91	Very high	85.6	Confident	29 Å²	29	68.9 Å²	68.9	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-56.7	-46.6	174.4	-167.5	-170.9	125.2	0	0	111	R2 V8 M9 L10 Y61 L65 K68	R2-E6 PolarHBondContact O-N 3.01Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.21Å; E6-M9 PolarHBondContact O-N 2.75Å; E6-L10 HydrophobicContact CG-CD1 3.86Å; E6-L10 HydrophobicContact CG-CG 4.28Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.32Å; E6-Y61 WeakPolarHBondContact OE2-CE2 3.24Å; E6-Y61 PolarHBondContact OE2-OH 3.03Å; E6-L65 HydrophobicContact CG-CD1 3.82Å; E6-K68 VanDerWaalsContact CD-NZ 3.29Å; E6-K68 IonicContact OE1-NZ 2.64Å; E6-K68 PolarHBondContact OE1-NZ 2.97Å; E6-K68 IonicContact OE2-NZ 3.2Å; E6-K68 PolarHBondContact OE2-NZ 2.96Å
7	T	91.2	Very high	85.5	Confident	99 Å²	99	64.8 Å²	64.8	61%	0.607	37%	0.372	S	S	*	.	H	α-helix	trans	-59.6	-43.7	178.4	-58.1	0	0	0	0	111.8	D3 A4 C5 G11	D3-T7 WeakPolarHBondContact O-CB 3.11Å; D3-T7 PolarHBondContact O-N 2.73Å; D3-T7 PolarHBondContact O-OG1 3.02Å; A4-T7 PolarHBondContact O-N 3.47Å; C5-T7 VanDerWaalsContact C-N 3.32Å; C5-T7 PolarHBondContact O-N 2.88Å; T7-G11 PolarHBondContact O-N 3.28Å
8	V	90.2	Very high	85.4	Confident	69 Å²	69	69.6 Å²	69.6	42%	0.418	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-41.5	177	174	0	0	0	0	111.1	A4 C5 E6 G11 S12 A20	A4-V8 WeakPolarHBondContact O-CG2 3.44Å; A4-V8 PolarHBondContact O-N 3.32Å; A4-V8 VanDerWaalsContact O-N 3.12Å; C5-V8 PolarHBondContact O-N 2.69Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.21Å; V8-G11 PolarHBondContact O-N 3.5Å; V8-S12 WeakPolarHBondContact O-CB 3.41Å; V8-S12 PolarHBondContact O-N 2.71Å; V8-A20 HydrophobicContact CB-CB 3.87Å; V8-A20 HydrophobicContact CG1-CB 3.7Å
9	M	88.6	Confident	85.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-50.8	179.7	-172.5	-167.8	76.3	0	0	111.9	C5 E6 G11 A20 E21 L65 I69 W103 T107	C5-M9 VanDerWaalsContact O-CB 3.28Å; C5-M9 WeakPolarHBondContact O-CB 2.82Å; C5-M9 PolarHBondContact O-N 2.89Å; E6-M9 PolarHBondContact O-N 2.75Å; M9-G11 VanDerWaalsContact C-N 3.35Å; M9-A20 HydrophobicContact CB-CB 4.42Å; M9-E21 HydrophobicContact CG-CB 4.11Å; M9-E21 HydrophobicContact SD-CB 3.66Å; M9-E21 HydrophobicContact SD-CG 3.95Å; M9-L65 HydrophobicContact CE-CD1 3.36Å; M9-L65 HydrophobicContact CE-CD2 3.9Å; M9-L65 HydrophobicContact CE-CG 3.79Å; M9-L65 HydrophobicContact SD-CD2 4.28Å; M9-I69 HydrophobicContact CE-CD1 3.98Å; M9-I69 HydrophobicContact CE-CG1 4.01Å; M9-W103 HydrophobicContact CG-CZ2 4.04Å; M9-W103 WeakPolarHBondContact O-CZ2 3.26Å; M9-T107 HydrophobicContact SD-CG2 4.26Å
10	L	86.9	Confident	85.8	Confident	38 Å²	38	68.7 Å²	68.7	20%	0.199	37%	0.372	C	S	.	.	H	α-helix	trans	-74.7	-25.5	179.7	-61	178.7	0	0	0	112.5	E6 K68 I69	E6-L10 HydrophobicContact CG-CD1 3.86Å; E6-L10 HydrophobicContact CG-CG 4.28Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.32Å; L10-K68 HydrophobicContact CD1-CB 4.37Å; L10-K68 HydrophobicContact CD1-CD 4.23Å; L10-I69 HydrophobicContact CD2-CG1 4.15Å
11	G	86	Confident	85.9	Confident	69 Å²	69	65.5 Å²	65.5	71%	0.711	36%	0.355	S	S	*	.	H	α-helix	trans	-82.9	-16.1	177	0	0	0	0	0	114.7	T7 V8 M9	T7-G11 PolarHBondContact O-N 3.28Å; V8-G11 PolarHBondContact O-N 3.5Å; M9-G11 VanDerWaalsContact C-N 3.35Å
12	S	78.4	Confident	86	Confident	29 Å²	29	64.5 Å²	64.5	20%	0.203	35%	0.349	C	S	.	.			trans	-147	97.7	-173.8	-157.6	0	0	0	0	112.4	V8 N14 G17	V8-S12 WeakPolarHBondContact O-CB 3.41Å; V8-S12 PolarHBondContact O-N 2.71Å; S12-N14 PolarHBondContact O-N 3.21Å; S12-N14 VanDerWaalsContact OG-CG 3.24Å; S12-N14 PolarHBondContact OG-ND2 2.73Å; S12-N14 VanDerWaalsContact OG-ND2 3.1Å; S12-N14 PolarHBondContact OG-OD1 3.48Å; S12-G17 WeakPolarHBondContact O-CA 2.86Å; S12-G17 PolarHBondContact O-N 2.74Å; S12-G17 VanDerWaalsContact O-N 3.14Å
13	T	72.8	Confident	86.1	Confident	56 Å²	56	62.7 Å²	62.7	34%	0.344	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	19.4	-177.6	65	0	0	0	0	114.2	L100 W103	T13-L100 HydrophobicContact CG2-CD1 3.49Å; T13-L100 VanDerWaalsContact CG2-CD1 3.49Å; T13-W103 VanDerWaalsContact CB-CD2 3.49Å; T13-W103 HydrophobicContact CG2-CD2 3.66Å; T13-W103 HydrophobicContact CG2-CE3 3.53Å; T13-W103 HydrophobicContact CG2-CG 4.35Å; T13-W103 HydrophobicContact CG2-CH2 3.91Å; T13-W103 HydrophobicContact CG2-CZ2 4.01Å; T13-W103 HydrophobicContact CG2-CZ3 3.67Å
14	N	75.8	Confident	86.2	Confident	85 Å²	85	58.1 Å²	58.1	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-165	177.1	65.1	26.4	0	0	0	110.2	S12 L16 G17 R18	S12-N14 PolarHBondContact O-N 3.21Å; S12-N14 VanDerWaalsContact OG-CG 3.24Å; S12-N14 PolarHBondContact OG-ND2 2.73Å; S12-N14 VanDerWaalsContact OG-ND2 3.1Å; S12-N14 PolarHBondContact OG-OD1 3.48Å; N14-L16 PolarHBondContact O-N 2.61Å; N14-L16 WeakPolarHBondContact OD1-CB 3.03Å; N14-L16 PolarHBondContact OD1-N 3.07Å; N14-G17 PolarHBondContact O-N 2.67Å; N14-R18 PolarHBondContact O-N 2.71Å
15	E	77.3	Confident	86.2	Confident	135 Å²	135	56.4 Å²	56.4	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-53.6	-27.8	176.8	-69.6	-167.6	-179.7	0	0	114.7	K19	E15-K19 WeakPolarHBondContact O-CB 3.23Å; E15-K19 VanDerWaalsContact O-CG 3.26Å; E15-K19 WeakPolarHBondContact O-CG 3.22Å; E15-K19 PolarHBondContact O-N 3.28Å; E15-K19 IonicContact OE2-NZ 3.64Å; E15-K19 PolarHBondContact OE2-NZ 3.47Å
16	L	84.2	Confident	86.2	Confident	102 Å²	102	61.1 Å²	61.1	53%	0.534	32%	0.318	S	S	.	.	H	α-helix	trans	-67.8	-42.5	177.8	-67.1	169.2	0	0	0	111.3	N14 R18 K19 A20	N14-L16 PolarHBondContact O-N 2.61Å; N14-L16 WeakPolarHBondContact OD1-CB 3.03Å; N14-L16 PolarHBondContact OD1-N 3.07Å; L16-R18 VanDerWaalsContact C-N 3.34Å; L16-K19 PolarHBondContact O-N 3.07Å; L16-A20 WeakPolarHBondContact O-CB 2.77Å; L16-A20 PolarHBondContact O-N 2.95Å
17	G	83	Confident	86.2	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-40	176.1	0	0	0	0	0	112.1	S12 N14 A20 E21	S12-G17 WeakPolarHBondContact O-CA 2.86Å; S12-G17 PolarHBondContact O-N 2.74Å; S12-G17 VanDerWaalsContact O-N 3.14Å; N14-G17 PolarHBondContact O-N 2.67Å; G17-A20 PolarHBondContact O-N 2.91Å; G17-E21 PolarHBondContact O-N 2.71Å
18	R	84.2	Confident	86.1	Confident	150 Å²	150	59.8 Å²	59.8	57%	0.566	31%	0.307	S	S	*	.	H	α-helix	trans	-58.9	-48.3	172.3	-177.6	-178.6	174	179.8	1.1	111.8	N14 L16 A20 E21 E22	N14-R18 PolarHBondContact O-N 2.71Å; L16-R18 VanDerWaalsContact C-N 3.34Å; R18-A20 VanDerWaalsContact C-N 3.28Å; R18-A20 PolarHBondContact O-N 2.93Å; R18-E21 PolarHBondContact O-N 2.68Å; R18-E22 PolarHBondContact O-N 3.48Å
19	K	88.3	Confident	86	Confident	114 Å²	114	56.9 Å²	56.9	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-33.9	178.1	-74.9	165.7	-178.9	154.6	0	112.2	E15 L16 L23	E15-K19 WeakPolarHBondContact O-CB 3.23Å; E15-K19 VanDerWaalsContact O-CG 3.26Å; E15-K19 WeakPolarHBondContact O-CG 3.22Å; E15-K19 PolarHBondContact O-N 3.28Å; E15-K19 IonicContact OE2-NZ 3.64Å; E15-K19 PolarHBondContact OE2-NZ 3.47Å; L16-K19 PolarHBondContact O-N 3.07Å; K19-L23 WeakPolarHBondContact O-CB 3.2Å; K19-L23 PolarHBondContact O-N 2.59Å
20	A	89.7	Confident	85.8	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-41.8	177	0	0	0	0	0	111.9	C5 V8 M9 L16 G17 R18 L23 M24	C5-A20 HydrophobicContact CB-CB 4.41Å; C5-A20 WeakPolarHBondContact CB-O 3.4Å; V8-A20 HydrophobicContact CB-CB 3.87Å; V8-A20 HydrophobicContact CG1-CB 3.7Å; M9-A20 HydrophobicContact CB-CB 4.42Å; L16-A20 WeakPolarHBondContact O-CB 2.77Å; L16-A20 PolarHBondContact O-N 2.95Å; G17-A20 PolarHBondContact O-N 2.91Å; R18-A20 VanDerWaalsContact C-N 3.28Å; R18-A20 PolarHBondContact O-N 2.93Å; A20-L23 PolarHBondContact O-N 3.4Å; A20-M24 WeakPolarHBondContact O-CB 3.47Å; A20-M24 PolarHBondContact O-N 2.82Å
21	E	87.8	Confident	85.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-51.4	174.9	176.6	-110.9	-170.4	0	0	112	M9 G17 R18 L23 M24 W25 R110	M9-E21 HydrophobicContact CG-CB 4.11Å; M9-E21 HydrophobicContact SD-CB 3.66Å; M9-E21 HydrophobicContact SD-CG 3.95Å; G17-E21 PolarHBondContact O-N 2.71Å; R18-E21 PolarHBondContact O-N 2.68Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.21Å; E21-M24 HydrophobicContact CG-CE 4.35Å; E21-M24 WeakPolarHBondContact O-CB 3.34Å; E21-M24 PolarHBondContact O-N 3.07Å; E21-W25 PolarHBondContact O-N 3.47Å; E21-R110 VanDerWaalsContact CD-NE 3.3Å; E21-R110 WeakPolarHBondContact OE1-CB 3.49Å; E21-R110 IonicContact OE1-NE 3.46Å; E21-R110 PolarHBondContact OE1-NE 2.98Å; E21-R110 VanDerWaalsContact OE1-NE 3.12Å; E21-R110 IonicContact OE2-CZ 3.59Å; E21-R110 IonicContact OE2-NE 2.79Å; E21-R110 PolarHBondContact OE2-NE 2.88Å; E21-R110 IonicContact OE2-NH2 3.3Å; E21-R110 PolarHBondContact OE2-NH2 2.9Å
22	E	89.2	Confident	85.8	Confident	100 Å²	100	64 Å²	64	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-56.9	-40.8	175.6	-174	-170.5	154.9	0	0	111.9	R18 R26	R18-E22 PolarHBondContact O-N 3.48Å; E22-R26 WeakPolarHBondContact O-CB 2.97Å; E22-R26 PolarHBondContact O-N 2.65Å
23	L	92.4	Very high	86	Confident	62 Å²	62	62.8 Å²	62.8	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-41.7	177.1	-178.5	66.2	0	0	0	111.7	M1 K19 A20 E21 K27	M1-L23 HydrophobicContact CE-CD1 3.79Å; M1-L23 HydrophobicContact CE-CD2 3.82Å; M1-L23 HydrophobicContact CE-CG 3.54Å; K19-L23 WeakPolarHBondContact O-CB 3.2Å; K19-L23 PolarHBondContact O-N 2.59Å; A20-L23 PolarHBondContact O-N 3.4Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 3.21Å; L23-K27 HydrophobicContact CD1-CG 3.71Å; L23-K27 HydrophobicContact CG-CG 4.48Å; L23-K27 VanDerWaalsContact O-CB 3.25Å; L23-K27 WeakPolarHBondContact O-CB 3.26Å; L23-K27 WeakPolarHBondContact O-CG 2.93Å; L23-K27 PolarHBondContact O-N 3.27Å
24	M	91.5	Very high	86.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-52.6	177.3	173.9	-177.9	68.6	0	0	111.1	R2 C5 A20 E21 R26 C28 Y61 Y62 L65	R2-M24 HydrophobicContact CG-CG 4.23Å; R2-M24 HydrophobicContact CG-SD 4.06Å; C5-M24 HydrophobicContact CB-CB 3.7Å; C5-M24 HydrophobicContact CB-CG 4.35Å; C5-M24 HydrophobicContact CB-SD 4.44Å; A20-M24 WeakPolarHBondContact O-CB 3.47Å; A20-M24 PolarHBondContact O-N 2.82Å; E21-M24 HydrophobicContact CG-CE 4.35Å; E21-M24 WeakPolarHBondContact O-CB 3.34Å; E21-M24 PolarHBondContact O-N 3.07Å; M24-R26 VanDerWaalsContact C-N 3.35Å; M24-R26 PolarHBondContact O-N 3.42Å; M24-C28 WeakPolarHBondContact O-CA 3.27Å; M24-C28 WeakPolarHBondContact O-CB 3.34Å; M24-C28 PolarHBondContact O-N 3.49Å; M24-Y61 HydrophobicContact CE-CE1 3.97Å; M24-Y61 HydrophobicContact SD-CE1 3.56Å; M24-Y61 VanDerWaalsContact SD-CE1 3.56Å; M24-Y61 PolarHBondContact SD-OH 2.89Å; M24-Y62 HydrophobicContact CE-CE1 4.48Å; M24-L65 HydrophobicContact CE-CD2 3.63Å
25	W	90	Very high	86.7	Confident	27 Å²	27	62.7 Å²	62.7	10%	0.102	28%	0.284	C	S	.	.	I	π-helix	trans	-52.1	-56	176.2	169.1	-132.5	0	0	0	111.1	E21 K27 Y29 Y30 Y62 E114 D117 L118	E21-W25 PolarHBondContact O-N 3.47Å; W25-K27 PolarHBondContact O-N 2.56Å; W25-Y29 HydrophobicContact CE3-CD2 4.2Å; W25-Y29 HydrophobicContact CE3-CG 4.4Å; W25-Y29 PolarHBondContact O-N 3.4Å; W25-Y29 VanDerWaalsContact O-N 3.1Å; W25-Y30 AromaticContact CE2-CD2 3.92Å; W25-Y30 AromaticContact CZ2-CD2 3.66Å; W25-Y30 HydrophobicContact CZ2-CD2 3.66Å; W25-Y30 HydrophobicContact CZ2-CG 4.3Å; W25-Y30 AromaticContact NE1-CD2 3.97Å; W25-Y30 PolarHBondContact O-N 2.68Å; W25-Y62 WeakPolarHBondContact CA-OH 3.48Å; W25-Y62 WeakPolarHBondContact CB-OH 2.92Å; W25-Y62 AromaticContact CE3-CE2 3.97Å; W25-Y62 HydrophobicContact CE3-CE2 3.97Å; W25-Y62 AromaticContact CE3-CZ 3.94Å; W25-Y62 VanDerWaalsContact CE3-OH 3.29Å; W25-Y62 HydrophobicContact CZ3-CE2 4.23Å; W25-E114 VanDerWaalsContact CB-OE1 3.28Å; W25-E114 WeakPolarHBondContact CB-OE1 3.28Å; W25-E114 WeakPolarHBondContact CB-OE2 3.26Å; W25-E114 HydrophobicContact CD2-CB 4.02Å; W25-E114 HydrophobicContact CD2-CG 3.73Å; W25-E114 HydrophobicContact CE3-CB 3.98Å; W25-E114 HydrophobicContact CE3-CG 4.21Å; W25-E114 HydrophobicContact CG-CG 3.89Å; W25-E114 HydrophobicContact CH2-CB 4.15Å; W25-E114 WeakPolarHBondContact CH2-O 3.27Å; W25-E114 HydrophobicContact CZ2-CB 4.18Å; W25-E114 HydrophobicContact CZ2-CG 4.22Å; W25-E114 HydrophobicContact CZ3-CB 4.04Å; W25-D117 HydrophobicContact CH2-CB 4.17Å; W25-D117 HydrophobicContact CZ2-CB 4.02Å; W25-L118 HydrophobicContact CH2-CD1 4.5Å; W25-L118 HydrophobicContact CH2-CD2 3.66Å; W25-L118 HydrophobicContact CH2-CG 3.69Å; W25-L118 HydrophobicContact CZ3-CD1 3.98Å; W25-L118 HydrophobicContact CZ3-CD2 3.55Å; W25-L118 HydrophobicContact CZ3-CG 3.63Å
26	R	91.1	Very high	86.8	Confident	109 Å²	109	58.1 Å²	58.1	41%	0.411	26%	0.263	S	S	.	.	I	π-helix	trans	-61.3	-48.6	-174.1	-175.7	174.4	57.5	158.6	-2.7	112.4	E22 M24 E31	E22-R26 WeakPolarHBondContact O-CB 2.97Å; E22-R26 PolarHBondContact O-N 2.65Å; M24-R26 VanDerWaalsContact C-N 3.35Å; M24-R26 PolarHBondContact O-N 3.42Å; R26-E31 HydrophobicContact CG-CG 4.04Å; R26-E31 WeakPolarHBondContact CG-OE1 3.33Å; R26-E31 WeakPolarHBondContact O-CB 3.44Å; R26-E31 VanDerWaalsContact O-CG 3.29Å; R26-E31 WeakPolarHBondContact O-CG 3.48Å; R26-E31 PolarHBondContact O-N 3.39Å
27	K	91.8	Very high	86.4	Confident	73 Å²	73	56.9 Å²	56.9	32%	0.317	25%	0.251	S	S	.	.	I	π-helix	trans	-91.1	-23.6	-170.5	-64.8	-61.1	-172.7	-168.7	0	114.8	M1 L23 W25 E31 H32	M1-K27 HydrophobicContact CE-CB 3.49Å; M1-K27 VanDerWaalsContact CE-CB 3.49Å; M1-K27 HydrophobicContact CE-CG 3.67Å; M1-K27 HydrophobicContact SD-CB 3.85Å; L23-K27 HydrophobicContact CD1-CG 3.71Å; L23-K27 HydrophobicContact CG-CG 4.48Å; L23-K27 VanDerWaalsContact O-CB 3.25Å; L23-K27 WeakPolarHBondContact O-CB 3.26Å; L23-K27 WeakPolarHBondContact O-CG 2.93Å; L23-K27 PolarHBondContact O-N 3.27Å; W25-K27 PolarHBondContact O-N 2.56Å; K27-E31 VanDerWaalsContact CD-OE2 3.26Å; K27-E31 WeakPolarHBondContact CD-OE2 2.92Å; K27-E31 WeakPolarHBondContact CE-OE1 3Å; K27-E31 IonicContact NZ-OE1 2.79Å; K27-E31 PolarHBondContact NZ-OE1 3.04Å; K27-E31 IonicContact NZ-OE2 2.62Å; K27-E31 PolarHBondContact NZ-OE2 3.26Å; K27-H32 PolarHBondContact O-NE2 2.94Å
28	C	89.2	Confident	86.4	Confident	27 Å²	27	64.4 Å²	64.4	18%	0.182	29%	0.286	C	S	.	.	I	π-helix	trans	-93.4	-25.3	177.7	-62.6	0	0	0	0	112.4	M24	M24-C28 WeakPolarHBondContact O-CA 3.27Å; M24-C28 WeakPolarHBondContact O-CB 3.34Å; M24-C28 PolarHBondContact O-N 3.49Å
29	Y	87.4	Confident	86.2	Confident	8 Å²	8	63.5 Å²	63.5	3%	0.031	28%	0.283	C	S	.	.	I	π-helix	trans	-132.7	-65.9	-170.5	-53.7	-65.5	0	0	0	113	R2 W25 E31 H32 I33 L54 A58 Y61 Y62	R2-Y29 VanDerWaalsContact CD-OH 3.28Å; R2-Y29 WeakPolarHBondContact CD-OH 3.03Å; W25-Y29 HydrophobicContact CE3-CD2 4.2Å; W25-Y29 HydrophobicContact CE3-CG 4.4Å; W25-Y29 PolarHBondContact O-N 3.4Å; W25-Y29 VanDerWaalsContact O-N 3.1Å; Y29-E31 PolarHBondContact O-N 2.82Å; Y29-H32 PolarHBondContact O-N 3.27Å; Y29-H32 VanDerWaalsContact O-N 3.15Å; Y29-I33 WeakPolarHBondContact O-CG1 3.44Å; Y29-I33 PolarHBondContact O-N 3.16Å; Y29-L54 HydrophobicContact CD1-CD1 4.43Å; Y29-A58 HydrophobicContact CD1-CB 3.3Å; Y29-A58 HydrophobicContact CE1-CB 3.37Å; Y29-A58 HydrophobicContact CG-CB 3.95Å; Y29-Y61 HydrophobicContact CE2-CD1 4.16Å; Y29-Y61 HydrophobicContact CE2-CE1 4.49Å; Y29-Y61 WeakPolarHBondContact OH-CD1 3.47Å; Y29-Y62 AromaticContact CD2-CE2 3.82Å; Y29-Y62 HydrophobicContact CD2-CE2 3.82Å; Y29-Y62 AromaticContact CE2-CE2 3.88Å; Y29-Y62 HydrophobicContact CE2-CE2 3.88Å
30	Y	85.9	Confident	85.5	Confident	96 Å²	96	63.9 Å²	63.9	38%	0.376	29%	0.285	S	S	.	.	I	π-helix	trans	-55.8	-51.4	-167.5	-177.8	-98.9	0	0	0	113.6	W25 H32 I33 Q34	W25-Y30 AromaticContact CE2-CD2 3.92Å; W25-Y30 AromaticContact CZ2-CD2 3.66Å; W25-Y30 HydrophobicContact CZ2-CD2 3.66Å; W25-Y30 HydrophobicContact CZ2-CG 4.3Å; W25-Y30 AromaticContact NE1-CD2 3.97Å; W25-Y30 PolarHBondContact O-N 2.68Å; Y30-H32 VanDerWaalsContact C-N 3.3Å; Y30-H32 PolarHBondContact O-N 2.61Å; Y30-I33 PolarHBondContact O-N 2.65Å; Y30-Q34 HydrophobicContact CD1-CG 4.11Å; Y30-Q34 HydrophobicContact CD2-CG 4.05Å; Y30-Q34 HydrophobicContact CE1-CG 3.8Å; Y30-Q34 HydrophobicContact CE2-CG 3.75Å; Y30-Q34 HydrophobicContact CG-CG 4.23Å; Y30-Q34 WeakPolarHBondContact O-CB 3.4Å; Y30-Q34 VanDerWaalsContact O-CG 3.28Å; Y30-Q34 WeakPolarHBondContact O-CG 3.23Å; Y30-Q34 PolarHBondContact O-N 3.09Å
31	E	88.6	Confident	85	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-39.5	-178.6	-75.5	175.6	-172.4	0	0	112.2	R26 K27 Y29 M35	R26-E31 HydrophobicContact CG-CG 4.04Å; R26-E31 WeakPolarHBondContact CG-OE1 3.33Å; R26-E31 WeakPolarHBondContact O-CB 3.44Å; R26-E31 VanDerWaalsContact O-CG 3.29Å; R26-E31 WeakPolarHBondContact O-CG 3.48Å; R26-E31 PolarHBondContact O-N 3.39Å; K27-E31 VanDerWaalsContact CD-OE2 3.26Å; K27-E31 WeakPolarHBondContact CD-OE2 2.92Å; K27-E31 WeakPolarHBondContact CE-OE1 3Å; K27-E31 IonicContact NZ-OE1 2.79Å; K27-E31 PolarHBondContact NZ-OE1 3.04Å; K27-E31 IonicContact NZ-OE2 2.62Å; K27-E31 PolarHBondContact NZ-OE2 3.26Å; Y29-E31 PolarHBondContact O-N 2.82Å; E31-M35 VanDerWaalsContact O-CB 3.26Å; E31-M35 WeakPolarHBondContact O-CB 3.36Å; E31-M35 PolarHBondContact O-N 3.16Å; E31-M35 VanDerWaalsContact O-N 3.11Å
32	H	84.1	Confident	84.8	Confident	86 Å²	86	78.4 Å²	78.4	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-69.1	-45.6	178.6	-64.5	-60.7	0	0	0	111.4	K27 Y29 Y30 M35 L36 L54	K27-H32 PolarHBondContact O-NE2 2.94Å; Y29-H32 PolarHBondContact O-N 3.27Å; Y29-H32 VanDerWaalsContact O-N 3.15Å; Y30-H32 VanDerWaalsContact C-N 3.3Å; Y30-H32 PolarHBondContact O-N 2.61Å; H32-M35 PolarHBondContact O-N 3.29Å; H32-L36 WeakPolarHBondContact O-CB 3.37Å; H32-L36 WeakPolarHBondContact O-CD1 2.89Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 3.41Å; H32-L54 HydrophobicContact CB-CD2 4.11Å
33	I	81.8	Confident	84.2	Confident	4 Å²	4	75.8 Å²	75.8	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-67.8	-42.8	-178.2	-68.2	169.4	0	0	0	110.8	Y29 Y30 L36 R37 L54 I55 L118	Y29-I33 WeakPolarHBondContact O-CG1 3.44Å; Y29-I33 PolarHBondContact O-N 3.16Å; Y30-I33 PolarHBondContact O-N 2.65Å; I33-L36 PolarHBondContact O-N 2.72Å; I33-R37 HydrophobicContact CG2-CG 4.17Å; I33-R37 WeakPolarHBondContact O-CB 3.34Å; I33-R37 WeakPolarHBondContact O-CG 2.83Å; I33-R37 PolarHBondContact O-N 3.27Å; I33-L54 HydrophobicContact CG1-CD2 4.18Å; I33-I55 HydrophobicContact CD1-CG1 3.98Å; I33-I55 HydrophobicContact CG1-CG1 4.33Å; I33-L118 HydrophobicContact CD1-CD2 3.04Å
34	Q	82.3	Confident	83.8	Confident	56 Å²	56	76.5 Å²	76.5	26%	0.262	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.3	-71.4	-62.3	-28.2	0	0	111.8	Y30 L36 R37 Q38	Y30-Q34 HydrophobicContact CD1-CG 4.11Å; Y30-Q34 HydrophobicContact CD2-CG 4.05Å; Y30-Q34 HydrophobicContact CE1-CG 3.8Å; Y30-Q34 HydrophobicContact CE2-CG 3.75Å; Y30-Q34 HydrophobicContact CG-CG 4.23Å; Y30-Q34 WeakPolarHBondContact O-CB 3.4Å; Y30-Q34 VanDerWaalsContact O-CG 3.28Å; Y30-Q34 WeakPolarHBondContact O-CG 3.23Å; Y30-Q34 PolarHBondContact O-N 3.09Å; Q34-L36 VanDerWaalsContact C-N 3.28Å; Q34-L36 PolarHBondContact O-N 2.81Å; Q34-R37 PolarHBondContact O-N 2.84Å; Q34-Q38 WeakPolarHBondContact O-CB 3.24Å; Q34-Q38 VanDerWaalsContact O-CG 3.3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.32Å; Q34-Q38 PolarHBondContact O-N 3.46Å
35	M	82.1	Confident	83.3	Confident	84 Å²	84	82.7 Å²	82.7	41%	0.414	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-41	175.1	-179.1	-168.3	66.9	0	0	111.9	E31 H32 R39	E31-M35 VanDerWaalsContact O-CB 3.26Å; E31-M35 WeakPolarHBondContact O-CB 3.36Å; E31-M35 PolarHBondContact O-N 3.16Å; E31-M35 VanDerWaalsContact O-N 3.11Å; H32-M35 PolarHBondContact O-N 3.29Å; M35-R39 PolarHBondContact O-N 3.31Å
36	L	77.9	Confident	82.9	Confident	38 Å²	38	88.8 Å²	88.8	20%	0.199	42%	0.422	C	S	.	.	H	α-helix	trans	-73	-40.9	179.3	-72.1	163.4	0	0	0	112.4	H32 I33 Q34 Q38 R39 K40 L43 V51 L54	H32-L36 WeakPolarHBondContact O-CB 3.37Å; H32-L36 WeakPolarHBondContact O-CD1 2.89Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 2.72Å; Q34-L36 VanDerWaalsContact C-N 3.28Å; Q34-L36 PolarHBondContact O-N 2.81Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.16Å; L36-R39 CarbonylContact O-C 3.4Å; L36-R39 PolarHBondContact O-N 2.9Å; L36-R39 VanDerWaalsContact O-N 3.11Å; L36-K40 PolarHBondContact O-N 3.39Å; L36-K40 VanDerWaalsContact O-N 3.15Å; L36-L43 HydrophobicContact CB-CD1 4.46Å; L36-L43 HydrophobicContact CD2-CD1 4.13Å; L36-L43 HydrophobicContact CD2-CD2 4.24Å; L36-V51 HydrophobicContact CB-CG1 4.21Å; L36-V51 HydrophobicContact CB-CG2 3.92Å; L36-V51 HydrophobicContact CD1-CB 4.38Å; L36-V51 HydrophobicContact CD1-CG1 4.19Å; L36-V51 HydrophobicContact CD1-CG2 3.69Å; L36-V51 HydrophobicContact CD2-CG2 3.9Å; L36-V51 HydrophobicContact CG-CG2 4.03Å; L36-L54 HydrophobicContact CD1-CD2 4.5Å
37	R	76.8	Confident	82.4	Confident	77 Å²	77	84.9 Å²	84.9	29%	0.291	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-40.8	175.8	-76.8	179.8	177.5	174.7	1.6	111.5	I33 Q34 R39 K40 D117 L118 K119	I33-R37 HydrophobicContact CG2-CG 4.17Å; I33-R37 WeakPolarHBondContact O-CB 3.34Å; I33-R37 WeakPolarHBondContact O-CG 2.83Å; I33-R37 PolarHBondContact O-N 3.27Å; Q34-R37 PolarHBondContact O-N 2.84Å; R37-R39 PolarHBondContact O-N 3.02Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.19Å; R37-D117 PolarHBondContact NH1-O 3.33Å; R37-D117 PolarHBondContact NH2-O 3.21Å; R37-L118 PolarHBondContact NH2-O 2.97Å; R37-K119 PolarHBondContact NH2-O 2.97Å
38	Q	81.6	Confident	81.8	Confident	157 Å²	157	83.9 Å²	83.9	73%	0.734	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-25.7	175.2	-73.5	174.5	6.4	0	0	113.3	Q34 L36	Q34-Q38 WeakPolarHBondContact O-CB 3.24Å; Q34-Q38 VanDerWaalsContact O-CG 3.3Å; Q34-Q38 WeakPolarHBondContact O-CG 3.32Å; Q34-Q38 PolarHBondContact O-N 3.46Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.16Å
39	R	80.9	Confident	81.5	Confident	132 Å²	132	83.5 Å²	83.5	50%	0.498	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	15.5	179.3	-63.2	-174.5	-174.6	-176	0.4	113	M35 L36 R37 N41 E42 L43	M35-R39 PolarHBondContact O-N 3.31Å; L36-R39 CarbonylContact O-C 3.4Å; L36-R39 PolarHBondContact O-N 2.9Å; L36-R39 VanDerWaalsContact O-N 3.11Å; R37-R39 PolarHBondContact O-N 3.02Å; R39-N41 PolarHBondContact O-N 2.92Å; R39-E42 HydrophobicContact CB-CB 4.38Å; R39-E42 WeakPolarHBondContact O-CA 3.32Å; R39-E42 WeakPolarHBondContact O-CB 3.22Å; R39-E42 PolarHBondContact O-N 3.05Å; R39-L43 WeakPolarHBondContact O-CG 3.2Å; R39-L43 PolarHBondContact O-N 2.84Å
40	K	74.3	Confident	81.3	Confident	121 Å²	121	90 Å²	90	53%	0.526	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-49.1	-39.5	-175.4	-175.9	178.6	179.9	-176.3	0	113.2	L36 R37 E42 L43 W48	L36-K40 PolarHBondContact O-N 3.39Å; L36-K40 VanDerWaalsContact O-N 3.15Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.19Å; K40-E42 VanDerWaalsContact C-N 3.31Å; K40-E42 PolarHBondContact O-N 3.33Å; K40-L43 PolarHBondContact O-N 3.02Å; K40-W48 HydrophobicContact CB-CZ3 4.31Å; K40-W48 HydrophobicContact CD-CH2 4.06Å; K40-W48 HydrophobicContact CD-CZ3 4.16Å; K40-W48 HydrophobicContact CG-CE3 4.2Å; K40-W48 HydrophobicContact CG-CH2 4.22Å; K40-W48 HydrophobicContact CG-CZ3 3.81Å
41	N	77.9	Confident	81	Confident	165 Å²	165	85.6 Å²	85.6	88%	0.882	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-77.6	-13.2	-179.3	-62.1	-16.7	0	0	0	114.1	R39	R39-N41 PolarHBondContact O-N 2.92Å
42	E	83.7	Confident	80.6	Confident	150 Å²	150	86.3 Å²	86.3	70%	0.701	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-96	-14.9	177.5	-57.3	174.9	-175.9	0	0	112	R39 K40	R39-E42 HydrophobicContact CB-CB 4.38Å; R39-E42 WeakPolarHBondContact O-CA 3.32Å; R39-E42 WeakPolarHBondContact O-CB 3.22Å; R39-E42 PolarHBondContact O-N 3.05Å; K40-E42 VanDerWaalsContact C-N 3.31Å; K40-E42 PolarHBondContact O-N 3.33Å
43	L	77.2	Confident	80.7	Confident	45 Å²	45	87.2 Å²	87.2	24%	0.236	43%	0.431	C	S	.	.			trans	-83	129.7	-176.7	-65.1	172.5	0	0	0	110.5	L36 R39 K40 A47 W48 V51	L36-L43 HydrophobicContact CB-CD1 4.46Å; L36-L43 HydrophobicContact CD2-CD1 4.13Å; L36-L43 HydrophobicContact CD2-CD2 4.24Å; R39-L43 WeakPolarHBondContact O-CG 3.2Å; R39-L43 PolarHBondContact O-N 2.84Å; K40-L43 PolarHBondContact O-N 3.02Å; L43-A47 HydrophobicContact CB-CB 4.11Å; L43-A47 HydrophobicContact CD2-CB 3.8Å; L43-A47 HydrophobicContact CG-CB 4.49Å; L43-W48 HydrophobicContact CD1-CE3 4.1Å; L43-V51 HydrophobicContact CD1-CG2 4.11Å
44	C	83.7	Confident	80.8	Confident	77 Å²	77	89.5 Å²	89.5	52%	0.52	44%	0.443	S	S	.	.			trans	-68.8	164.2	166	65.6	0	0	0	0	110.7	E46 A47 W48	C44-E46 VanDerWaalsContact C-N 3.25Å; C44-E46 PolarHBondContact O-N 3.23Å; C44-A47 WeakPolarHBondContact O-CB 3.41Å; C44-A47 PolarHBondContact O-N 3.28Å; C44-A47 PolarHBondContact SG-N 3.44Å; C44-W48 PolarHBondContact O-N 2.9Å
45	T	81.1	Confident	80.9	Confident	130 Å²	130	87.4 Å²	87.4	80%	0.798	43%	0.434	S	S	*	.	H	α-helix	trans	-54.1	-39.6	-180	-47.7	0	0	0	0	112.9	W48 G49	T45-W48 PolarHBondContact O-N 3.02Å; T45-G49 PolarHBondContact O-N 3.04Å
46	E	82.1	Confident	81	Confident	156 Å²	156	88 Å²	88	73%	0.729	44%	0.442	S	S	*	.	H	α-helix	trans	-64.9	-43.1	176.3	-68	177.9	176.4	0	0	112.1	C44 W48 G49 F50	C44-E46 VanDerWaalsContact C-N 3.25Å; C44-E46 PolarHBondContact O-N 3.23Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 3.41Å; E46-G49 PolarHBondContact O-N 3.13Å; E46-G49 VanDerWaalsContact O-N 3.14Å; E46-F50 VanDerWaalsContact O-CD2 3.22Å; E46-F50 WeakPolarHBondContact O-CD2 3.48Å; E46-F50 PolarHBondContact O-N 2.83Å
47	A	81	Confident	81.4	Confident	26 Å²	26	89 Å²	89	22%	0.215	46%	0.456	C	S	.	.	H	α-helix	trans	-64	-39.5	177.9	0	0	0	0	0	111.6	L43 C44 G49 F50 V51	L43-A47 HydrophobicContact CB-CB 4.11Å; L43-A47 HydrophobicContact CD2-CB 3.8Å; L43-A47 HydrophobicContact CG-CB 4.49Å; C44-A47 WeakPolarHBondContact O-CB 3.41Å; C44-A47 PolarHBondContact O-N 3.28Å; C44-A47 PolarHBondContact SG-N 3.44Å; A47-G49 VanDerWaalsContact C-N 3.33Å; A47-F50 PolarHBondContact O-N 2.82Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.15Å
48	W	79.3	Confident	81.9	Confident	52 Å²	52	85.3 Å²	85.3	20%	0.197	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-36.9	172.7	-173.4	-104.9	0	0	0	112.5	K40 L43 C44 T45 E46 F50 V51 Q52	K40-W48 HydrophobicContact CB-CZ3 4.31Å; K40-W48 HydrophobicContact CD-CH2 4.06Å; K40-W48 HydrophobicContact CD-CZ3 4.16Å; K40-W48 HydrophobicContact CG-CE3 4.2Å; K40-W48 HydrophobicContact CG-CH2 4.22Å; K40-W48 HydrophobicContact CG-CZ3 3.81Å; L43-W48 HydrophobicContact CD1-CE3 4.1Å; C44-W48 PolarHBondContact O-N 2.9Å; T45-W48 PolarHBondContact O-N 3.02Å; E46-W48 VanDerWaalsContact C-N 3.32Å; E46-W48 PolarHBondContact O-N 3.41Å; W48-F50 VanDerWaalsContact C-N 3.33Å; W48-F50 PolarHBondContact O-N 3.13Å; W48-V51 HydrophobicContact CE3-CB 4.28Å; W48-V51 HydrophobicContact CE3-CG2 4.22Å; W48-V51 HydrophobicContact CZ3-CG1 4.29Å; W48-V51 WeakPolarHBondContact O-CA 3.38Å; W48-V51 WeakPolarHBondContact O-CB 3.41Å; W48-V51 PolarHBondContact O-N 3.19Å; W48-Q52 PolarHBondContact O-N 2.81Å
49	G	82.2	Confident	82	Confident	20 Å²	20	78.5 Å²	78.5	21%	0.206	41%	0.411	C	S	.	.	H	α-helix	trans	-54.9	-45.7	172	0	0	0	0	0	112.5	T45 E46 A47 V51 Q52 D53	T45-G49 PolarHBondContact O-N 3.04Å; E46-G49 PolarHBondContact O-N 3.13Å; E46-G49 VanDerWaalsContact O-N 3.14Å; A47-G49 VanDerWaalsContact C-N 3.33Å; G49-V51 VanDerWaalsContact C-N 3.28Å; G49-V51 PolarHBondContact O-N 3.1Å; G49-Q52 PolarHBondContact O-N 3.3Å; G49-Q52 VanDerWaalsContact O-N 3.13Å; G49-D53 PolarHBondContact O-N 2.87Å
50	F	82.3	Confident	82.3	Confident	145 Å²	145	73.8 Å²	73.8	64%	0.636	40%	0.404	S	S	*	.	H	α-helix	trans	-62.9	-31.8	174.8	-67.9	-66	0	0	0	113.5	E46 A47 W48 L54	E46-F50 VanDerWaalsContact O-CD2 3.22Å; E46-F50 WeakPolarHBondContact O-CD2 3.48Å; E46-F50 PolarHBondContact O-N 2.83Å; A47-F50 PolarHBondContact O-N 2.82Å; W48-F50 VanDerWaalsContact C-N 3.33Å; W48-F50 PolarHBondContact O-N 3.13Å; F50-L54 WeakPolarHBondContact O-CB 3.16Å; F50-L54 PolarHBondContact O-N 2.93Å
51	V	80.1	Confident	83	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	38%	0.384	C	S	.	.	H	α-helix	trans	-66.5	-44.6	173.9	-173.6	0	0	0	0	110.4	L36 L43 A47 W48 G49 L54 I55	L36-V51 HydrophobicContact CB-CG1 4.21Å; L36-V51 HydrophobicContact CB-CG2 3.92Å; L36-V51 HydrophobicContact CD1-CB 4.38Å; L36-V51 HydrophobicContact CD1-CG1 4.19Å; L36-V51 HydrophobicContact CD1-CG2 3.69Å; L36-V51 HydrophobicContact CD2-CG2 3.9Å; L36-V51 HydrophobicContact CG-CG2 4.03Å; L43-V51 HydrophobicContact CD1-CG2 4.11Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.15Å; W48-V51 HydrophobicContact CE3-CB 4.28Å; W48-V51 HydrophobicContact CE3-CG2 4.22Å; W48-V51 HydrophobicContact CZ3-CG1 4.29Å; W48-V51 WeakPolarHBondContact O-CA 3.38Å; W48-V51 WeakPolarHBondContact O-CB 3.41Å; W48-V51 PolarHBondContact O-N 3.19Å; G49-V51 VanDerWaalsContact C-N 3.28Å; G49-V51 PolarHBondContact O-N 3.1Å; V51-L54 PolarHBondContact O-N 3.19Å; V51-I55 HydrophobicContact CG1-CD1 3.98Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 2.9Å; V51-I55 PolarHBondContact O-N 2.68Å
52	Q	81.4	Confident	83.5	Confident	89 Å²	89	61.3 Å²	61.3	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-39.9	177.1	-70.5	179.7	-37.9	0	0	111.8	W48 G49 I55 T56	W48-Q52 PolarHBondContact O-N 2.81Å; G49-Q52 PolarHBondContact O-N 3.3Å; G49-Q52 VanDerWaalsContact O-N 3.13Å; Q52-I55 PolarHBondContact O-N 2.71Å; Q52-T56 WeakPolarHBondContact O-CB 3.43Å; Q52-T56 PolarHBondContact O-N 2.89Å; Q52-T56 PolarHBondContact O-OG1 3.09Å
53	D	85	Confident	83.6	Confident	106 Å²	106	58.3 Å²	58.3	57%	0.567	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-43	174.4	-71.2	-18.6	0	0	0	111.4	G49 T56 A57	G49-D53 PolarHBondContact O-N 2.87Å; D53-T56 PolarHBondContact O-N 3.1Å; D53-A57 VanDerWaalsContact O-CB 3.25Å; D53-A57 WeakPolarHBondContact O-CB 3.33Å; D53-A57 PolarHBondContact O-N 3.07Å
54	L	84.8	Confident	84.3	Confident	52 Å²	52	59.7 Å²	59.7	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-44.8	175.9	178.6	64	0	0	0	111.6	Y29 H32 I33 L36 F50 V51 A57 A58	Y29-L54 HydrophobicContact CD1-CD1 4.43Å; H32-L54 HydrophobicContact CB-CD2 4.11Å; I33-L54 HydrophobicContact CG1-CD2 4.18Å; L36-L54 HydrophobicContact CD1-CD2 4.5Å; F50-L54 WeakPolarHBondContact O-CB 3.16Å; F50-L54 PolarHBondContact O-N 2.93Å; V51-L54 PolarHBondContact O-N 3.19Å; L54-A57 PolarHBondContact O-N 3.01Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 3.27Å
55	I	83.4	Confident	84.7	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.056	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-48.5	176.4	-72.5	168.9	0	0	0	110	I33 V51 Q52 A57 A58 C59 L118 T120	I33-I55 HydrophobicContact CD1-CG1 3.98Å; I33-I55 HydrophobicContact CG1-CG1 4.33Å; V51-I55 HydrophobicContact CG1-CD1 3.98Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 2.9Å; V51-I55 PolarHBondContact O-N 2.68Å; Q52-I55 PolarHBondContact O-N 2.71Å; I55-A57 VanDerWaalsContact C-N 3.35Å; I55-A57 PolarHBondContact O-N 2.82Å; I55-A58 WeakPolarHBondContact O-CB 3.43Å; I55-A58 PolarHBondContact O-N 2.69Å; I55-A58 VanDerWaalsContact O-N 3.14Å; I55-C59 PolarHBondContact O-N 3.23Å; I55-C59 PolarHBondContact O-SG 3.46Å; I55-L118 HydrophobicContact CG2-CB 4.33Å; I55-L118 VanDerWaalsContact CG2-O 3.31Å; I55-L118 WeakPolarHBondContact CG2-O 3.41Å; I55-T120 HydrophobicContact CD1-CG2 3.8Å
56	T	84.4	Confident	85.1	Confident	97 Å²	97	50 Å²	50	60%	0.595	28%	0.279	S	S	*	.	H	α-helix	trans	-61	-44	179.3	-56.5	0	0	0	0	111.4	Q52 D53 A58 C59 G60	Q52-T56 WeakPolarHBondContact O-CB 3.43Å; Q52-T56 PolarHBondContact O-N 2.89Å; Q52-T56 PolarHBondContact O-OG1 3.09Å; D53-T56 PolarHBondContact O-N 3.1Å; T56-A58 VanDerWaalsContact C-N 3.32Å; T56-A58 PolarHBondContact O-N 3.05Å; T56-C59 PolarHBondContact O-N 2.95Å; T56-G60 PolarHBondContact O-N 3.48Å
57	A	86.5	Confident	85.5	Confident	59 Å²	59	46.9 Å²	46.9	49%	0.488	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-36.2	175.8	0	0	0	0	0	112.5	D53 L54 I55 Y61	D53-A57 VanDerWaalsContact O-CB 3.25Å; D53-A57 WeakPolarHBondContact O-CB 3.33Å; D53-A57 PolarHBondContact O-N 3.07Å; L54-A57 PolarHBondContact O-N 3.01Å; I55-A57 VanDerWaalsContact C-N 3.35Å; I55-A57 PolarHBondContact O-N 2.82Å; A57-Y61 VanDerWaalsContact O-CB 3.31Å; A57-Y61 WeakPolarHBondContact O-CB 3.47Å; A57-Y61 PolarHBondContact O-N 3.29Å; A57-Y61 VanDerWaalsContact O-N 3.08Å
58	A	86.5	Confident	86.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-49.4	174.5	0	0	0	0	0	111.1	Y29 L54 I55 T56 G60 Y61 Y62 L118	Y29-A58 HydrophobicContact CD1-CB 3.3Å; Y29-A58 HydrophobicContact CE1-CB 3.37Å; Y29-A58 HydrophobicContact CG-CB 3.95Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 3.27Å; I55-A58 WeakPolarHBondContact O-CB 3.43Å; I55-A58 PolarHBondContact O-N 2.69Å; I55-A58 VanDerWaalsContact O-N 3.14Å; T56-A58 VanDerWaalsContact C-N 3.32Å; T56-A58 PolarHBondContact O-N 3.05Å; A58-G60 PolarHBondContact O-N 3.5Å; A58-Y61 WeakPolarHBondContact O-CB 3.4Å; A58-Y61 PolarHBondContact O-N 2.69Å; A58-Y61 VanDerWaalsContact O-N 3.11Å; A58-Y62 VanDerWaalsContact O-CD2 3.3Å; A58-Y62 WeakPolarHBondContact O-CD2 3.22Å; A58-Y62 PolarHBondContact O-N 2.94Å; A58-L118 HydrophobicContact CB-CD1 3.45Å; A58-L118 VanDerWaalsContact CB-CD1 3.45Å; A58-L118 HydrophobicContact CB-CD2 4.1Å; A58-L118 HydrophobicContact CB-CG 4.43Å
59	C	84.7	Confident	86.6	Confident	13 Å²	13	47 Å²	47	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-55.5	-51.2	176.9	-60.6	0	0	0	0	111.2	I55 T56 Y61 Y62 L63 D115 K119	I55-C59 PolarHBondContact O-N 3.23Å; I55-C59 PolarHBondContact O-SG 3.46Å; T56-C59 PolarHBondContact O-N 2.95Å; C59-Y61 VanDerWaalsContact C-N 3.26Å; C59-Y61 PolarHBondContact O-N 3.41Å; C59-Y62 PolarHBondContact O-N 3.12Å; C59-L63 WeakPolarHBondContact O-CG 3.27Å; C59-L63 PolarHBondContact O-N 3.11Å; C59-D115 VanDerWaalsContact CA-OD1 3.26Å; C59-D115 WeakPolarHBondContact CA-OD1 3.23Å; C59-D115 VanDerWaalsContact CB-OD1 3.31Å; C59-D115 WeakPolarHBondContact CB-OD1 3.14Å; C59-D115 PolarHBondContact SG-OD1 3.1Å; C59-K119 PolarHBondContact SG-NZ 3.2Å
60	G	86.7	Confident	87	Confident	34 Å²	34	47.3 Å²	47.3	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-33.4	178.7	0	0	0	0	0	113.3	T56 A58 T64	T56-G60 PolarHBondContact O-N 3.48Å; A58-G60 PolarHBondContact O-N 3.5Å; G60-T64 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-OG1 3.13Å
61	Y	90.2	Very high	87.4	Confident	24 Å²	24	44.7 Å²	44.7	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-48.5	173.8	174	-98.6	0	0	0	111.8	R2 E6 M24 Y29 A57 A58 C59 L63 T64 L65	R2-Y61 VanDerWaalsContact CD-CE2 3.47Å; R2-Y61 HydrophobicContact CG-CD2 4.5Å; R2-Y61 HydrophobicContact CG-CE1 4.04Å; R2-Y61 HydrophobicContact CG-CE2 3.82Å; E6-Y61 WeakPolarHBondContact OE2-CE2 3.24Å; E6-Y61 PolarHBondContact OE2-OH 3.03Å; M24-Y61 HydrophobicContact CE-CE1 3.97Å; M24-Y61 HydrophobicContact SD-CE1 3.56Å; M24-Y61 VanDerWaalsContact SD-CE1 3.56Å; M24-Y61 PolarHBondContact SD-OH 2.89Å; Y29-Y61 HydrophobicContact CE2-CD1 4.16Å; Y29-Y61 HydrophobicContact CE2-CE1 4.49Å; Y29-Y61 WeakPolarHBondContact OH-CD1 3.47Å; A57-Y61 VanDerWaalsContact O-CB 3.31Å; A57-Y61 WeakPolarHBondContact O-CB 3.47Å; A57-Y61 PolarHBondContact O-N 3.29Å; A57-Y61 VanDerWaalsContact O-N 3.08Å; A58-Y61 WeakPolarHBondContact O-CB 3.4Å; A58-Y61 PolarHBondContact O-N 2.69Å; A58-Y61 VanDerWaalsContact O-N 3.11Å; C59-Y61 VanDerWaalsContact C-N 3.26Å; C59-Y61 PolarHBondContact O-N 3.41Å; Y61-L63 PolarHBondContact O-N 3.39Å; Y61-T64 WeakPolarHBondContact O-CB 3.37Å; Y61-T64 PolarHBondContact O-N 3.16Å; Y61-T64 VanDerWaalsContact O-N 3.14Å; Y61-L65 HydrophobicContact CE1-CD2 3.98Å; Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 PolarHBondContact O-N 3.48Å
62	Y	87.6	Confident	87.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-40.6	179.2	-85.5	-78.2	0	0	0	112.6	M24 W25 Y29 A58 C59 T64 L65 I66 C111 E114 L118	M24-Y62 HydrophobicContact CE-CE1 4.48Å; W25-Y62 WeakPolarHBondContact CA-OH 3.48Å; W25-Y62 WeakPolarHBondContact CB-OH 2.92Å; W25-Y62 AromaticContact CE3-CE2 3.97Å; W25-Y62 HydrophobicContact CE3-CE2 3.97Å; W25-Y62 AromaticContact CE3-CZ 3.94Å; W25-Y62 VanDerWaalsContact CE3-OH 3.29Å; W25-Y62 HydrophobicContact CZ3-CE2 4.23Å; Y29-Y62 AromaticContact CD2-CE2 3.82Å; Y29-Y62 HydrophobicContact CD2-CE2 3.82Å; Y29-Y62 AromaticContact CE2-CE2 3.88Å; Y29-Y62 HydrophobicContact CE2-CE2 3.88Å; A58-Y62 VanDerWaalsContact O-CD2 3.3Å; A58-Y62 WeakPolarHBondContact O-CD2 3.22Å; A58-Y62 PolarHBondContact O-N 2.94Å; C59-Y62 PolarHBondContact O-N 3.12Å; Y62-T64 VanDerWaalsContact C-N 3.3Å; Y62-T64 PolarHBondContact O-N 3.46Å; Y62-L65 HydrophobicContact CD1-CD2 4.23Å; Y62-L65 HydrophobicContact CE1-CD2 4.31Å; Y62-L65 WeakPolarHBondContact O-CB 3.5Å; Y62-L65 PolarHBondContact O-N 3.5Å; Y62-L65 VanDerWaalsContact O-N 3.11Å; Y62-I66 WeakPolarHBondContact O-CB 3.47Å; Y62-I66 WeakPolarHBondContact O-CD1 3.5Å; Y62-I66 VanDerWaalsContact O-CG1 3.27Å; Y62-I66 WeakPolarHBondContact O-CG1 3.26Å; Y62-I66 PolarHBondContact O-N 2.92Å; Y62-C111 HydrophobicContact CD1-CB 3.81Å; Y62-C111 HydrophobicContact CE1-CB 4.41Å; Y62-E114 HydrophobicContact CE1-CB 4.26Å; Y62-E114 WeakPolarHBondContact CE1-OE2 3.42Å; Y62-E114 PolarHBondContact OH-OE2 2.99Å; Y62-L118 HydrophobicContact CD2-CD1 4.11Å; Y62-L118 HydrophobicContact CE2-CD1 4.38Å
63	L	86.6	Confident	88.3	Confident	86 Å²	86	43.8 Å²	43.8	45%	0.45	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-43.7	172.8	-69.4	173.3	0	0	0	111.9	C59 Y61 L65 E67 F128	C59-L63 WeakPolarHBondContact O-CG 3.27Å; C59-L63 PolarHBondContact O-N 3.11Å; Y61-L63 PolarHBondContact O-N 3.39Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-E67 PolarHBondContact O-N 2.95Å; L63-F128 HydrophobicContact CD2-CE1 4.27Å; L63-F128 HydrophobicContact CD2-CZ 4.42Å
64	T	91.3	Very high	88.7	Confident	75 Å²	75	40.8 Å²	40.8	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-67	-38	176.4	-54.9	0	0	0	0	111.6	G60 Y61 Y62 E67 K68	G60-T64 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-OG1 3.13Å; Y61-T64 WeakPolarHBondContact O-CB 3.37Å; Y61-T64 PolarHBondContact O-N 3.16Å; Y61-T64 VanDerWaalsContact O-N 3.14Å; Y62-T64 VanDerWaalsContact C-N 3.3Å; Y62-T64 PolarHBondContact O-N 3.46Å; T64-E67 PolarHBondContact O-N 2.95Å; T64-K68 WeakPolarHBondContact O-CG 3.42Å; T64-K68 PolarHBondContact O-N 3.04Å; T64-K68 VanDerWaalsContact O-N 3.12Å
65	L	91	Very high	89	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-44.4	179.1	-169	64.2	0	0	0	111.4	E6 M9 M24 Y61 Y62 L63 E67 K68 I69	E6-L65 HydrophobicContact CG-CD1 3.82Å; M9-L65 HydrophobicContact CE-CD1 3.36Å; M9-L65 HydrophobicContact CE-CD2 3.9Å; M9-L65 HydrophobicContact CE-CG 3.79Å; M9-L65 HydrophobicContact SD-CD2 4.28Å; M24-L65 HydrophobicContact CE-CD2 3.63Å; Y61-L65 HydrophobicContact CE1-CD2 3.98Å; Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 PolarHBondContact O-N 3.48Å; Y62-L65 HydrophobicContact CD1-CD2 4.23Å; Y62-L65 HydrophobicContact CE1-CD2 4.31Å; Y62-L65 WeakPolarHBondContact O-CB 3.5Å; Y62-L65 PolarHBondContact O-N 3.5Å; Y62-L65 VanDerWaalsContact O-N 3.11Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 3.42Å; L65-K68 WeakPolarHBondContact O-CB 2.87Å; L65-K68 PolarHBondContact O-N 3.44Å; L65-K68 VanDerWaalsContact O-N 3.11Å; L65-I69 HydrophobicContact CD2-CD1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.86Å; L65-I69 HydrophobicContact CG-CG1 4.5Å; L65-I69 WeakPolarHBondContact O-CD1 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3Å
66	I	89.8	Confident	89.2	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-56	-46.1	175.4	-73.6	161.1	0	0	0	110.2	Y62 K68 I69 K70 I108 C111 E112	Y62-I66 WeakPolarHBondContact O-CB 3.47Å; Y62-I66 WeakPolarHBondContact O-CD1 3.5Å; Y62-I66 VanDerWaalsContact O-CG1 3.27Å; Y62-I66 WeakPolarHBondContact O-CG1 3.26Å; Y62-I66 PolarHBondContact O-N 2.92Å; I66-K68 PolarHBondContact O-N 3.42Å; I66-I69 PolarHBondContact O-N 3.49Å; I66-K70 HydrophobicContact CG2-CD 4.13Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 VanDerWaalsContact O-CG 3.31Å; I66-K70 WeakPolarHBondContact O-CG 3.22Å; I66-K70 PolarHBondContact O-N 2.92Å; I66-I108 HydrophobicContact CG2-CG1 4.43Å; I66-I108 HydrophobicContact CG2-CG2 4.11Å; I66-C111 HydrophobicContact CD1-CB 3.72Å; I66-C111 HydrophobicContact CG1-CB 3.46Å; I66-C111 VanDerWaalsContact CG1-CB 3.46Å; I66-E112 HydrophobicContact CD1-CG 4.41Å
67	E	91.4	Very high	89.5	Confident	89 Å²	89	45.9 Å²	45.9	42%	0.416	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-38.6	176.7	-69.5	-54.5	125	0	0	113	L63 T64 L65 K70 C71	L63-E67 PolarHBondContact O-N 2.95Å; T64-E67 PolarHBondContact O-N 2.95Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 3.42Å; E67-K70 WeakPolarHBondContact OE1-CD 3.47Å; E67-K70 IonicContact OE1-NZ 3.14Å; E67-K70 PolarHBondContact OE1-NZ 2.79Å; E67-C71 PolarHBondContact O-N 2.87Å; E67-C71 PolarHBondContact O-SG 2.85Å; E67-C71 VanDerWaalsContact O-SG 3.38Å
68	K	92.3	Very high	89.7	Confident	80 Å²	80	46.1 Å²	46.1	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-40.2	173.7	-68.9	172.7	-179.2	174.8	0	112.1	E6 L10 T64 L65 I66 C71 H72	E6-K68 VanDerWaalsContact CD-NZ 3.29Å; E6-K68 IonicContact OE1-NZ 2.64Å; E6-K68 PolarHBondContact OE1-NZ 2.97Å; E6-K68 IonicContact OE2-NZ 3.2Å; E6-K68 PolarHBondContact OE2-NZ 2.96Å; L10-K68 HydrophobicContact CD1-CB 4.37Å; L10-K68 HydrophobicContact CD1-CD 4.23Å; T64-K68 WeakPolarHBondContact O-CG 3.42Å; T64-K68 PolarHBondContact O-N 3.04Å; T64-K68 VanDerWaalsContact O-N 3.12Å; L65-K68 WeakPolarHBondContact O-CB 2.87Å; L65-K68 PolarHBondContact O-N 3.44Å; L65-K68 VanDerWaalsContact O-N 3.11Å; I66-K68 PolarHBondContact O-N 3.42Å; K68-C71 WeakPolarHBondContact O-CB 3.14Å; K68-C71 PolarHBondContact O-N 3.45Å; K68-H72 PolarHBondContact O-CE1 3.45Å; K68-H72 PolarHBondContact O-ND1 3.41Å
69	I	91	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-44	178.3	-66.6	158.4	0	0	0	110.2	M9 L10 L65 I66 C71 H72 W103 V104 T107 I108	M9-I69 HydrophobicContact CE-CD1 3.98Å; M9-I69 HydrophobicContact CE-CG1 4.01Å; L10-I69 HydrophobicContact CD2-CG1 4.15Å; L65-I69 HydrophobicContact CD2-CD1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.86Å; L65-I69 HydrophobicContact CG-CG1 4.5Å; L65-I69 WeakPolarHBondContact O-CD1 3.39Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3Å; I66-I69 PolarHBondContact O-N 3.49Å; I69-C71 PolarHBondContact O-N 3.31Å; I69-C71 VanDerWaalsContact O-N 3.1Å; I69-H72 WeakPolarHBondContact O-CB 3.36Å; I69-H72 PolarHBondContact O-N 3.08Å; I69-W103 HydrophobicContact CG2-CH2 4.5Å; I69-W103 HydrophobicContact CG2-CZ3 4.09Å; I69-V104 HydrophobicContact CG2-CB 4.29Å; I69-V104 HydrophobicContact CG2-CG1 3.94Å; I69-V104 HydrophobicContact CG2-CG2 4.21Å; I69-T107 HydrophobicContact CD1-CG2 3.5Å; I69-T107 HydrophobicContact CG1-CG2 4.29Å; I69-I108 HydrophobicContact CB-CG1 4.35Å; I69-I108 HydrophobicContact CG2-CD1 4.33Å; I69-I108 HydrophobicContact CG2-CG1 3.85Å
70	K	90.6	Very high	89.7	Confident	28 Å²	28	50.7 Å²	50.7	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-54.2	-30.6	176.2	-76.1	173.2	-174.1	168.1	0	112.9	I66 E67 H72 A73 R78 I81 I108	I66-K70 HydrophobicContact CG2-CD 4.13Å; I66-K70 HydrophobicContact CG2-CG 4.45Å; I66-K70 VanDerWaalsContact O-CG 3.31Å; I66-K70 WeakPolarHBondContact O-CG 3.22Å; I66-K70 PolarHBondContact O-N 2.92Å; E67-K70 WeakPolarHBondContact OE1-CD 3.47Å; E67-K70 IonicContact OE1-NZ 3.14Å; E67-K70 PolarHBondContact OE1-NZ 2.79Å; K70-H72 PolarHBondContact O-N 3.31Å; K70-A73 PolarHBondContact O-N 3.47Å; K70-R78 VanDerWaalsContact O-CD 3.3Å; K70-R78 WeakPolarHBondContact O-CD 3.49Å; K70-I81 HydrophobicContact CD-CG2 4.23Å; K70-I81 HydrophobicContact CG-CG2 4.38Å; K70-I108 HydrophobicContact CG-CD1 3.57Å
71	C	90.5	Very high	89.7	Confident	90 Å²	90	49.4 Å²	49.4	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.3	176.1	-68.7	0	0	0	0	114.2	E67 K68 I69	E67-C71 PolarHBondContact O-N 2.87Å; E67-C71 PolarHBondContact O-SG 2.85Å; E67-C71 VanDerWaalsContact O-SG 3.38Å; K68-C71 WeakPolarHBondContact O-CB 3.14Å; K68-C71 PolarHBondContact O-N 3.45Å; I69-C71 PolarHBondContact O-N 3.31Å; I69-C71 VanDerWaalsContact O-N 3.1Å
72	H	89.7	Confident	89.3	Confident	65 Å²	65	54.1 Å²	54.1	30%	0.301	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.3	177.1	-62.8	76.4	0	0	0	112.9	K68 I69 K70 L100 V104	K68-H72 PolarHBondContact O-CE1 3.45Å; K68-H72 PolarHBondContact O-ND1 3.41Å; I69-H72 WeakPolarHBondContact O-CB 3.36Å; I69-H72 PolarHBondContact O-N 3.08Å; K70-H72 PolarHBondContact O-N 3.31Å; H72-L100 HydrophobicContact CB-CD1 4.36Å; H72-L100 WeakPolarHBondContact O-CD2 3.45Å; H72-L100 WeakPolarHBondContact O-CG 3.39Å; H72-V104 HydrophobicContact CB-CG2 3.91Å
73	A	91.2	Very high	88.9	Confident	7 Å²	7	56.3 Å²	56.3	6%	0.058	30%	0.296	C	S	.	.	S	Bend	trans	-67.8	153.8	176.7	0	0	0	0	0	111.4	K70 L77 R78 D101 V104	K70-A73 PolarHBondContact O-N 3.47Å; A73-L77 HydrophobicContact CB-CB 4.16Å; A73-L77 HydrophobicContact CB-CD2 4Å; A73-L77 HydrophobicContact CB-CG 4.15Å; A73-R78 HydrophobicContact CB-CB 4.02Å; A73-D101 WeakPolarHBondContact CA-OD1 3.49Å; A73-V104 HydrophobicContact CB-CB 4.37Å; A73-V104 HydrophobicContact CB-CG1 3.83Å; A73-V104 HydrophobicContact CB-CG2 4.3Å
74	S	92.4	Very high	88.5	Confident	43 Å²	43	52.7 Å²	52.7	30%	0.301	28%	0.277	S	S	.	.			trans	-53.2	154.3	162.6	68	0	0	0	0	111	E76 L77 R78 D101	S74-E76 PolarHBondContact O-N 2.85Å; S74-L77 PolarHBondContact O-N 3.35Å; S74-L77 WeakPolarHBondContact OG-CB 3.38Å; S74-L77 PolarHBondContact OG-N 3Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 2.87Å; S74-D101 WeakPolarHBondContact CB-OD2 3.41Å; S74-D101 PolarHBondContact N-OD1 3.41Å; S74-D101 PolarHBondContact OG-OD1 3.44Å; S74-D101 PolarHBondContact OG-OD2 3.28Å
75	D	91.3	Very high	87.9	Confident	103 Å²	103	51.3 Å²	51.3	55%	0.551	27%	0.269	S	S	*	.	H	α-helix	trans	-57.5	-36.4	178.5	-68.7	-27.6	0	0	0	111.4	R78 N79	D75-R78 IonicContact OD1-CZ 3.44Å; D75-R78 VanDerWaalsContact OD1-CZ 3.24Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.2Å; D75-N79 VanDerWaalsContact O-CB 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.33Å; D75-N79 PolarHBondContact O-N 2.98Å; D75-N79 PolarHBondContact O-ND2 3.17Å; D75-N79 VanDerWaalsContact O-ND2 3.09Å; D75-N79 PolarHBondContact O-OD1 3.02Å
76	E	88.3	Confident	87.7	Confident	158 Å²	158	53.2 Å²	53.2	74%	0.738	28%	0.279	S	S	*	.	H	α-helix	trans	-62.7	-56	177	-175.6	176	-177.8	0	0	112.1	S74 R78 N79 S80	S74-E76 PolarHBondContact O-N 2.85Å; E76-R78 PolarHBondContact O-N 2.96Å; E76-N79 PolarHBondContact O-N 2.72Å; E76-S80 WeakPolarHBondContact O-CB 3.3Å; E76-S80 PolarHBondContact O-N 3.49Å; E76-S80 PolarHBondContact O-OG 3.37Å
77	L	90	Very high	87.3	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-42.7	179.6	177.4	63.6	0	0	0	111.2	A73 S74 N79 S80 I81 F88 D101 V104 L105	A73-L77 HydrophobicContact CB-CB 4.16Å; A73-L77 HydrophobicContact CB-CD2 4Å; A73-L77 HydrophobicContact CB-CG 4.15Å; S74-L77 PolarHBondContact O-N 3.35Å; S74-L77 WeakPolarHBondContact OG-CB 3.38Å; S74-L77 PolarHBondContact OG-N 3Å; L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 3.31Å; L77-S80 PolarHBondContact O-N 3.37Å; L77-I81 HydrophobicContact CD1-CD1 3.85Å; L77-I81 HydrophobicContact CD1-CG1 4.01Å; L77-I81 HydrophobicContact CD2-CD1 4.23Å; L77-I81 HydrophobicContact CG-CD1 3.7Å; L77-I81 HydrophobicContact CG-CG1 4.28Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.48Å; L77-I81 PolarHBondContact O-N 3.41Å; L77-F88 HydrophobicContact CD1-CE1 4.5Å; L77-F88 HydrophobicContact CD1-CZ 4Å; L77-D101 HydrophobicContact CD2-CB 3.58Å; L77-D101 WeakPolarHBondContact CD2-O 3.37Å; L77-V104 HydrophobicContact CD2-CB 4.42Å; L77-V104 HydrophobicContact CD2-CG1 4.31Å; L77-L105 HydrophobicContact CD1-CD1 4.44Å
78	R	90	Very high	87.1	Confident	63 Å²	63	49.7 Å²	49.7	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-41.4	179.9	-171.7	177.3	68.4	-141.7	-2.7	111.8	K70 A73 S74 D75 E76 K82	K70-R78 VanDerWaalsContact O-CD 3.3Å; K70-R78 WeakPolarHBondContact O-CD 3.49Å; A73-R78 HydrophobicContact CB-CB 4.02Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 2.87Å; D75-R78 IonicContact OD1-CZ 3.44Å; D75-R78 VanDerWaalsContact OD1-CZ 3.24Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 2.94Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.2Å; E76-R78 PolarHBondContact O-N 2.96Å; R78-K82 HydrophobicContact CG-CD 4.35Å; R78-K82 WeakPolarHBondContact O-CB 3.29Å; R78-K82 VanDerWaalsContact O-CG 3.3Å; R78-K82 WeakPolarHBondContact O-CG 3.38Å; R78-K82 PolarHBondContact O-N 3.14Å
79	N	87.2	Confident	86.7	Confident	91 Å²	91	47 Å²	47	49%	0.487	25%	0.25	S	S	.	.	H	α-helix	trans	-67.1	-43.7	177.1	-70.5	-17.5	0	0	0	111	D75 E76 L77 I81 K82 A83	D75-N79 VanDerWaalsContact O-CB 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.33Å; D75-N79 PolarHBondContact O-N 2.98Å; D75-N79 PolarHBondContact O-ND2 3.17Å; D75-N79 VanDerWaalsContact O-ND2 3.09Å; D75-N79 PolarHBondContact O-OD1 3.02Å; E76-N79 PolarHBondContact O-N 2.72Å; L77-N79 VanDerWaalsContact C-N 3.32Å; L77-N79 PolarHBondContact O-N 3.31Å; N79-I81 PolarHBondContact O-N 3.49Å; N79-K82 PolarHBondContact O-N 3.32Å; N79-A83 VanDerWaalsContact O-CB 3.26Å; N79-A83 WeakPolarHBondContact O-CB 3.15Å; N79-A83 PolarHBondContact O-N 3.45Å
80	S	84.6	Confident	86.4	Confident	18 Å²	18	48 Å²	48	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-44.9	178.4	-54.4	0	0	0	0	112.1	E76 L77 T84 H87	E76-S80 WeakPolarHBondContact O-CB 3.3Å; E76-S80 PolarHBondContact O-N 3.49Å; E76-S80 PolarHBondContact O-OG 3.37Å; L77-S80 PolarHBondContact O-N 3.37Å; S80-T84 PolarHBondContact O-N 3.23Å; S80-H87 PolarHBondContact O-CE1 3.37Å
81	I	86.3	Confident	86	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-43.3	175.3	-67	169.2	0	0	0	111.2	K70 L77 N79 A83 P85 F88 L105 I108	K70-I81 HydrophobicContact CD-CG2 4.23Å; K70-I81 HydrophobicContact CG-CG2 4.38Å; L77-I81 HydrophobicContact CD1-CD1 3.85Å; L77-I81 HydrophobicContact CD1-CG1 4.01Å; L77-I81 HydrophobicContact CD2-CD1 4.23Å; L77-I81 HydrophobicContact CG-CD1 3.7Å; L77-I81 HydrophobicContact CG-CG1 4.28Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.48Å; L77-I81 PolarHBondContact O-N 3.41Å; N79-I81 PolarHBondContact O-N 3.49Å; I81-A83 VanDerWaalsContact C-N 3.34Å; I81-P85 WeakPolarHBondContact O-CD 3.24Å; I81-P85 VanDerWaalsContact O-CG 3.31Å; I81-P85 WeakPolarHBondContact O-CG 3.44Å; I81-F88 HydrophobicContact CG1-CE2 3.87Å; I81-F88 HydrophobicContact CG1-CZ 4.07Å; I81-L105 HydrophobicContact CD1-CD1 4.34Å; I81-I108 HydrophobicContact CD1-CD1 3.83Å
82	K	81.9	Confident	85.5	Confident	123 Å²	123	48 Å²	48	54%	0.535	26%	0.258	S	S	.	.	H	α-helix	trans	-68.9	-34.7	-178.2	-79.7	-179	177.4	-172.6	0	112.9	R78 N79	R78-K82 HydrophobicContact CG-CD 4.35Å; R78-K82 WeakPolarHBondContact O-CB 3.29Å; R78-K82 VanDerWaalsContact O-CG 3.3Å; R78-K82 WeakPolarHBondContact O-CG 3.38Å; R78-K82 PolarHBondContact O-N 3.14Å; N79-K82 PolarHBondContact O-N 3.32Å
83	A	78.9	Confident	85.2	Confident	46 Å²	46	47 Å²	47	38%	0.38	26%	0.258	S	S	.	.	H	α-helix	trans	-85.5	-49.5	-168.9	0	0	0	0	0	111.7	N79 I81 E503 K507	N79-A83 VanDerWaalsContact O-CB 3.26Å; N79-A83 WeakPolarHBondContact O-CB 3.15Å; N79-A83 PolarHBondContact O-N 3.45Å; I81-A83 VanDerWaalsContact C-N 3.34Å; A83-E503 WeakPolarHBondContact CB-OE1 3.44Å; A83-K507 HydrophobicContact CB-CD 4.4Å; A83-K507 VanDerWaalsContact CB-NZ 3.25Å
84	T	78.7	Confident	84.9	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.067	30%	0.298	C	S	.	.			trans	-157.5	71.2	-173.1	-33.7	0	0	0	0	114.6	S80 I86 H87 T506 K507	S80-T84 PolarHBondContact O-N 3.23Å; T84-I86 HydrophobicContact CG2-CG2 3.35Å; T84-I86 PolarHBondContact O-N 3.44Å; T84-H87 PolarHBondContact O-N 3.22Å; T84-H87 PolarHBondContact O-ND1 3Å; T84-T506 WeakPolarHBondContact CG2-OG1 3.3Å; T84-K507 HydrophobicContact CG2-CG 4.39Å; T84-K507 WeakPolarHBondContact OG1-CE 3.44Å; T84-K507 WeakPolarHBondContact OG1-CG 3.37Å
85	P	79.8	Confident	84.7	Confident	45 Å²	45	55 Å²	55	29%	0.292	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-47.8	-31.2	-175.6	-27.8	32.6	0	0	0	115.6	I81 H87 F88 S134 L135	I81-P85 WeakPolarHBondContact O-CD 3.24Å; I81-P85 VanDerWaalsContact O-CG 3.31Å; I81-P85 WeakPolarHBondContact O-CG 3.44Å; P85-H87 PolarHBondContact O-N 3.37Å; P85-F88 WeakPolarHBondContact O-CB 3.13Å; P85-F88 WeakPolarHBondContact O-CD2 3.42Å; P85-F88 PolarHBondContact O-N 3.45Å; P85-S134 WeakPolarHBondContact O-CB 3.4Å; P85-L135 HydrophobicContact CB-CD2 4.33Å
86	I	85	Confident	84.5	Confident	41 Å²	41	58.3 Å²	58.3	21%	0.21	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.6	177.3	-161.9	161.7	0	0	0	114.5	T84 F88 R89 W90 I491	T84-I86 HydrophobicContact CG2-CG2 3.35Å; T84-I86 PolarHBondContact O-N 3.44Å; I86-F88 PolarHBondContact O-N 3.39Å; I86-R89 VanDerWaalsContact O-CB 3.3Å; I86-R89 WeakPolarHBondContact O-CB 3.35Å; I86-R89 WeakPolarHBondContact O-CG 3.45Å; I86-R89 PolarHBondContact O-N 3.3Å; I86-W90 HydrophobicContact CG1-CH2 4.31Å; I86-W90 HydrophobicContact CG1-CZ3 4.07Å; I86-W90 WeakPolarHBondContact O-CZ3 3.34Å; I86-I491 HydrophobicContact CD1-CB 4.25Å; I86-I491 HydrophobicContact CD1-CD1 3.43Å; I86-I491 VanDerWaalsContact CD1-CD1 3.43Å; I86-I491 HydrophobicContact CD1-CG1 3.6Å; I86-I491 HydrophobicContact CD1-CG2 3.61Å; I86-I491 HydrophobicContact CG1-CG1 4.23Å; I86-I491 HydrophobicContact CG1-CG2 4.13Å
87	H	83.2	Confident	84.3	Confident	16 Å²	16	54.9 Å²	54.9	7%	0.074	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.5	-28.9	177.5	81.4	-79	0	0	0	112.5	S80 T84 P85 R89 W90 C91 E503 T506	S80-H87 PolarHBondContact O-CE1 3.37Å; T84-H87 PolarHBondContact O-N 3.22Å; T84-H87 PolarHBondContact O-ND1 3Å; P85-H87 PolarHBondContact O-N 3.37Å; H87-R89 PolarHBondContact O-N 3.3Å; H87-W90 PolarHBondContact O-N 3.45Å; H87-W90 VanDerWaalsContact O-N 3.13Å; H87-C91 PolarHBondContact O-N 3.27Å; H87-E503 HydrophobicContact CB-CG 4.34Å; H87-T506 HydrophobicContact CB-CG2 4.34Å
88	F	86.4	Confident	83.8	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.009	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-65.7	-16.2	178.3	-66.7	-52.7	0	0	0	113.5	L77 I81 P85 I86 W90 S92 P93 S134 L135	L77-F88 HydrophobicContact CD1-CE1 4.5Å; L77-F88 HydrophobicContact CD1-CZ 4Å; I81-F88 HydrophobicContact CG1-CE2 3.87Å; I81-F88 HydrophobicContact CG1-CZ 4.07Å; P85-F88 WeakPolarHBondContact O-CB 3.13Å; P85-F88 WeakPolarHBondContact O-CD2 3.42Å; P85-F88 PolarHBondContact O-N 3.45Å; I86-F88 PolarHBondContact O-N 3.39Å; F88-W90 VanDerWaalsContact C-N 3.3Å; F88-W90 PolarHBondContact O-N 3.1Å; F88-S92 PolarHBondContact O-N 3.28Å; F88-S92 PolarHBondContact O-OG 2.92Å; F88-P93 HydrophobicContact CD1-CG 4.23Å; F88-P93 HydrophobicContact CE1-CG 3.92Å; F88-S134 CarbonylContact C-O 3.5Å; F88-S134 WeakPolarHBondContact CB-O 3.16Å; F88-L135 HydrophobicContact CD2-CD2 3.98Å; F88-L135 HydrophobicContact CE2-CD2 4.08Å
89	R	84.8	Confident	83.8	Confident	25 Å²	25	61 Å²	61	9%	0.094	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-63.8	-34.7	171.9	-66.1	-173.3	179.3	-154.6	-1.9	112.5	I86 H87 C130 S134 I491 Y494	I86-R89 VanDerWaalsContact O-CB 3.3Å; I86-R89 WeakPolarHBondContact O-CB 3.35Å; I86-R89 WeakPolarHBondContact O-CG 3.45Å; I86-R89 PolarHBondContact O-N 3.3Å; H87-R89 PolarHBondContact O-N 3.3Å; R89-C130 PolarHBondContact NH2-O 2.53Å; R89-S134 PolarHBondContact NE-OG 2.99Å; R89-S134 PolarHBondContact NH2-OG 3.1Å; R89-I491 PolarHBondContact NH1-O 3.35Å; R89-Y494 HydrophobicContact CB-CD1 4.47Å; R89-Y494 HydrophobicContact CB-CD2 4.22Å; R89-Y494 HydrophobicContact CB-CE1 4.5Å; R89-Y494 HydrophobicContact CB-CE2 4.25Å; R89-Y494 HydrophobicContact CB-CG 4.31Å; R89-Y494 WeakPolarHBondContact O-CD2 3.38Å; R89-Y494 WeakPolarHBondContact O-CE2 3.4Å
90	W	83.8	Confident	83.8	Confident	19 Å²	19	60.3 Å²	60.3	7%	0.072	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-47.9	176.2	-60.8	-85.4	0	0	0	110.7	I86 H87 F88 P486 I491 T499 M500 F501 T506	I86-W90 HydrophobicContact CG1-CH2 4.31Å; I86-W90 HydrophobicContact CG1-CZ3 4.07Å; I86-W90 WeakPolarHBondContact O-CZ3 3.34Å; H87-W90 PolarHBondContact O-N 3.45Å; H87-W90 VanDerWaalsContact O-N 3.13Å; F88-W90 VanDerWaalsContact C-N 3.3Å; F88-W90 PolarHBondContact O-N 3.1Å; W90-P486 HydrophobicContact CH2-CB 4.37Å; W90-P486 HydrophobicContact CZ2-CB 4.34Å; W90-I491 HydrophobicContact CH2-CB 4.43Å; W90-I491 HydrophobicContact CH2-CG1 3.68Å; W90-I491 HydrophobicContact CZ2-CG1 4.17Å; W90-T499 PolarHBondContact NE1-O 3.11Å; W90-M500 HydrophobicContact CB-CE 3.99Å; W90-M500 HydrophobicContact CB-SD 3.95Å; W90-M500 WeakPolarHBondContact O-CE 3.44Å; W90-F501 HydrophobicContact CD2-CD2 4.26Å; W90-F501 AromaticContact CE2-CD2 3.66Å; W90-F501 AromaticContact CZ2-CD2 3.85Å; W90-F501 HydrophobicContact CZ2-CD2 3.85Å; W90-F501 HydrophobicContact CZ2-CE2 4.33Å; W90-F501 AromaticContact NE1-CD2 3.63Å; W90-T506 HydrophobicContact CE3-CG2 4.2Å; W90-T506 HydrophobicContact CH2-CG2 4.23Å; W90-T506 HydrophobicContact CZ3-CG2 3.61Å
91	C	81.3	Confident	84.1	Confident	65 Å²	65	60.8 Å²	60.8	44%	0.439	34%	0.341	S	S	.	.			trans	-118.6	84	-173.3	-65.7	0	0	0	0	110.3	H87	H87-C91 PolarHBondContact O-N 3.27Å
92	S	81.3	Confident	84.2	Confident	55 Å²	55	61.9 Å²	61.9	39%	0.385	35%	0.348	S	S	.	.			trans	-66.6	134.8	168.9	-59.5	0	0	0	0	110	F88 P137	F88-S92 PolarHBondContact O-N 3.28Å; F88-S92 PolarHBondContact O-OG 2.92Å; S92-P137 WeakPolarHBondContact OG-CG 3.12Å
93	P	83	Confident	84.5	Confident	44 Å²	44	57 Å²	57	29%	0.286	33%	0.326	S	S	.	.			trans	-68.8	138.4	-177.5	29	-33.6	0	0	0	110.3	F88 L95 L105	F88-P93 HydrophobicContact CD1-CG 4.23Å; F88-P93 HydrophobicContact CE1-CG 3.92Å; P93-L95 VanDerWaalsContact C-N 3.27Å; P93-L95 HydrophobicContact CB-CD1 4.41Å; P93-L95 HydrophobicContact CB-CD2 3.99Å; P93-L95 HydrophobicContact CB-CG 3.9Å; P93-L95 HydrophobicContact CG-CD1 3.88Å; P93-L95 HydrophobicContact CG-CD2 4.36Å; P93-L95 HydrophobicContact CG-CG 3.87Å; P93-L95 PolarHBondContact O-N 3.43Å; P93-L105 HydrophobicContact CG-CD2 4.15Å
94	D	84.5	Confident	85.1	Confident	171 Å²	171	54.8 Å²	54.8	91%	0.914	31%	0.308	S	S	*	.			trans	-79.3	78.1	175.5	-171.2	20.1	0	0	0	110.1
95	L	88.3	Confident	85.6	Confident	47 Å²	47	55.2 Å²	55.2	25%	0.246	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-88.6	135.2	-178.1	-57.5	178	0	0	0	110.7	P93 A97 D101 T102 L105	P93-L95 VanDerWaalsContact C-N 3.27Å; P93-L95 HydrophobicContact CB-CD1 4.41Å; P93-L95 HydrophobicContact CB-CD2 3.99Å; P93-L95 HydrophobicContact CB-CG 3.9Å; P93-L95 HydrophobicContact CG-CD1 3.88Å; P93-L95 HydrophobicContact CG-CD2 4.36Å; P93-L95 HydrophobicContact CG-CG 3.87Å; P93-L95 PolarHBondContact O-N 3.43Å; L95-A97 PolarHBondContact O-N 2.86Å; L95-D101 HydrophobicContact CD1-CB 4.17Å; L95-D101 HydrophobicContact CD2-CB 3.94Å; L95-T102 VanDerWaalsContact CB-OG1 3.29Å; L95-T102 WeakPolarHBondContact CB-OG1 3.36Å; L95-L105 HydrophobicContact CD1-CB 4.42Å; L95-L105 HydrophobicContact CD1-CD2 4Å
96	K	87.4	Confident	86	Confident	171 Å²	171	55.2 Å²	55.2	74%	0.743	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-61.6	135.5	174.4	-68.7	-178.5	-178.5	176.6	0	110.2	D98 S99 T102	K96-D98 PolarHBondContact O-N 3.45Å; K96-S99 WeakPolarHBondContact O-CB 3.34Å; K96-S99 PolarHBondContact O-N 3.49Å; K96-S99 VanDerWaalsContact O-N 3.07Å; K96-S99 PolarHBondContact O-OG 2.87Å; K96-S99 VanDerWaalsContact O-OG 3.06Å; K96-T102 PolarHBondContact O-OG1 3.48Å
97	A	83.5	Confident	86.2	Confident	86 Å²	86	53.3 Å²	53.3	71%	0.711	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	139.6	169.3	0	0	0	0	0	110.4	L95 S99	L95-A97 PolarHBondContact O-N 2.86Å; A97-S99 PolarHBondContact O-N 3.19Å; A97-S99 VanDerWaalsContact O-N 3.11Å
98	D	80.8	Confident	86.5	Confident	165 Å²	165	52.6 Å²	52.6	88%	0.882	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	12	-177.9	-50.4	-44.6	0	0	0	115.9	K96	K96-D98 PolarHBondContact O-N 3.45Å
99	S	88.6	Confident	86.6	Confident	33 Å²	33	53.3 Å²	53.3	23%	0.231	30%	0.297	C	S	.	.			trans	-70.1	156.1	171.9	80.8	0	0	0	0	111.9	K96 A97 D101 T102 W103	K96-S99 WeakPolarHBondContact O-CB 3.34Å; K96-S99 PolarHBondContact O-N 3.49Å; K96-S99 VanDerWaalsContact O-N 3.07Å; K96-S99 PolarHBondContact O-OG 2.87Å; K96-S99 VanDerWaalsContact O-OG 3.06Å; A97-S99 PolarHBondContact O-N 3.19Å; A97-S99 VanDerWaalsContact O-N 3.11Å; S99-D101 PolarHBondContact O-N 2.9Å; S99-T102 WeakPolarHBondContact O-CB 3.29Å; S99-T102 PolarHBondContact O-N 2.85Å; S99-T102 PolarHBondContact OG-N 3.46Å; S99-T102 PolarHBondContact OG-OG1 2.94Å; S99-W103 PolarHBondContact O-N 2.84Å
100	L	87.6	Confident	86.8	Confident	77 Å²	77	54.4 Å²	54.4	40%	0.403	30%	0.301	S	S	.	.	H	α-helix	trans	-57.7	-40	174.2	-177.5	58	0	0	0	111.4	T13 H72 W103 V104	T13-L100 HydrophobicContact CG2-CD1 3.49Å; T13-L100 VanDerWaalsContact CG2-CD1 3.49Å; H72-L100 HydrophobicContact CB-CD1 4.36Å; H72-L100 WeakPolarHBondContact O-CD2 3.45Å; H72-L100 WeakPolarHBondContact O-CG 3.39Å; L100-W103 HydrophobicContact CD1-CE3 4.11Å; L100-W103 WeakPolarHBondContact O-CB 3.48Å; L100-W103 PolarHBondContact O-N 2.82Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.22Å
101	D	90.6	Very high	86.9	Confident	28 Å²	28	53.5 Å²	53.5	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-65.7	-40.3	178.1	-82.1	-4.2	0	0	0	112.3	A73 S74 L77 L95 S99 W103 V104 L105	A73-D101 WeakPolarHBondContact CA-OD1 3.49Å; S74-D101 WeakPolarHBondContact CB-OD2 3.41Å; S74-D101 PolarHBondContact N-OD1 3.41Å; S74-D101 PolarHBondContact OG-OD1 3.44Å; S74-D101 PolarHBondContact OG-OD2 3.28Å; L77-D101 HydrophobicContact CD2-CB 3.58Å; L77-D101 WeakPolarHBondContact CD2-O 3.37Å; L95-D101 HydrophobicContact CD1-CB 4.17Å; L95-D101 HydrophobicContact CD2-CB 3.94Å; S99-D101 PolarHBondContact O-N 2.9Å; D101-W103 VanDerWaalsContact C-N 3.34Å; D101-W103 PolarHBondContact O-N 3.41Å; D101-V104 PolarHBondContact O-N 3.4Å; D101-L105 WeakPolarHBondContact O-CB 3.48Å; D101-L105 PolarHBondContact O-N 3.14Å
102	T	88.9	Confident	87	Confident	29 Å²	29	51 Å²	51	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-46.1	172.5	-54.3	0	0	0	0	110.5	L95 K96 S99 V104 L105 D106	L95-T102 VanDerWaalsContact CB-OG1 3.29Å; L95-T102 WeakPolarHBondContact CB-OG1 3.36Å; K96-T102 PolarHBondContact O-OG1 3.48Å; S99-T102 WeakPolarHBondContact O-CB 3.29Å; S99-T102 PolarHBondContact O-N 2.85Å; S99-T102 PolarHBondContact OG-N 3.46Å; S99-T102 PolarHBondContact OG-OG1 2.94Å; T102-V104 PolarHBondContact O-N 3.32Å; T102-L105 PolarHBondContact O-N 3.07Å; T102-D106 VanDerWaalsContact O-CB 3.3Å; T102-D106 WeakPolarHBondContact O-CB 3.37Å; T102-D106 PolarHBondContact O-N 2.98Å
103	W	88.8	Confident	87.1	Confident	21 Å²	21	49.7 Å²	49.7	8%	0.08	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-42	176.1	176.1	88.4	0	0	0	112.3	M9 T13 I69 S99 L100 D101 T107	M9-W103 HydrophobicContact CG-CZ2 4.04Å; M9-W103 WeakPolarHBondContact O-CZ2 3.26Å; T13-W103 VanDerWaalsContact CB-CD2 3.49Å; T13-W103 HydrophobicContact CG2-CD2 3.66Å; T13-W103 HydrophobicContact CG2-CE3 3.53Å; T13-W103 HydrophobicContact CG2-CG 4.35Å; T13-W103 HydrophobicContact CG2-CH2 3.91Å; T13-W103 HydrophobicContact CG2-CZ2 4.01Å; T13-W103 HydrophobicContact CG2-CZ3 3.67Å; I69-W103 HydrophobicContact CG2-CH2 4.5Å; I69-W103 HydrophobicContact CG2-CZ3 4.09Å; S99-W103 PolarHBondContact O-N 2.84Å; L100-W103 HydrophobicContact CD1-CE3 4.11Å; L100-W103 WeakPolarHBondContact O-CB 3.48Å; L100-W103 PolarHBondContact O-N 2.82Å; D101-W103 VanDerWaalsContact C-N 3.34Å; D101-W103 PolarHBondContact O-N 3.41Å; W103-T107 HydrophobicContact CZ2-CG2 4.4Å; W103-T107 VanDerWaalsContact O-CB 3.22Å; W103-T107 WeakPolarHBondContact O-CB 3.47Å; W103-T107 PolarHBondContact O-N 3.49Å; W103-T107 PolarHBondContact O-OG1 3.19Å
104	V	90.5	Very high	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-51.9	177.1	166.2	0	0	0	0	110.4	I69 H72 A73 L77 L100 D101 T102 D106 T107 I108	I69-V104 HydrophobicContact CG2-CB 4.29Å; I69-V104 HydrophobicContact CG2-CG1 3.94Å; I69-V104 HydrophobicContact CG2-CG2 4.21Å; H72-V104 HydrophobicContact CB-CG2 3.91Å; A73-V104 HydrophobicContact CB-CB 4.37Å; A73-V104 HydrophobicContact CB-CG1 3.83Å; A73-V104 HydrophobicContact CB-CG2 4.3Å; L77-V104 HydrophobicContact CD2-CB 4.42Å; L77-V104 HydrophobicContact CD2-CG1 4.31Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.22Å; D101-V104 PolarHBondContact O-N 3.4Å; T102-V104 PolarHBondContact O-N 3.32Å; V104-D106 PolarHBondContact O-N 3.36Å; V104-T107 PolarHBondContact O-N 3.02Å; V104-I108 HydrophobicContact CG1-CD1 3.63Å; V104-I108 HydrophobicContact CG1-CG1 4.36Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.17Å
105	L	89.3	Confident	86.7	Confident	19 Å²	19	40.2 Å²	40.2	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-178.2	-169.6	68.2	0	0	0	111.3	L77 I81 P93 L95 D101 T102 T107 I108 Y109 L135	L77-L105 HydrophobicContact CD1-CD1 4.44Å; I81-L105 HydrophobicContact CD1-CD1 4.34Å; P93-L105 HydrophobicContact CG-CD2 4.15Å; L95-L105 HydrophobicContact CD1-CB 4.42Å; L95-L105 HydrophobicContact CD1-CD2 4Å; D101-L105 WeakPolarHBondContact O-CB 3.48Å; D101-L105 PolarHBondContact O-N 3.14Å; T102-L105 PolarHBondContact O-N 3.07Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.38Å; L105-I108 PolarHBondContact O-N 2.92Å; L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.48Å; L105-Y109 PolarHBondContact O-N 2.81Å; L105-L135 HydrophobicContact CD1-CB 4.14Å; L105-L135 HydrophobicContact CD1-CD2 3.88Å
106	D	88.6	Confident	86.3	Confident	46 Å²	46	38 Å²	38	25%	0.246	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-35.4	177.2	-83.8	-29.6	0	0	0	112.1	T102 V104 R110 K136	T102-D106 VanDerWaalsContact O-CB 3.3Å; T102-D106 WeakPolarHBondContact O-CB 3.37Å; T102-D106 PolarHBondContact O-N 2.98Å; V104-D106 PolarHBondContact O-N 3.36Å; D106-R110 WeakPolarHBondContact O-CG 3.42Å; D106-R110 PolarHBondContact O-N 2.81Å; D106-R110 VanDerWaalsContact O-N 3.15Å; D106-R110 PolarHBondContact O-NH1 3.41Å; D106-K136 IonicContact OD1-NZ 3.63Å; D106-K136 PolarHBondContact OD1-NZ 3.12Å
107	T	89	Confident	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-77	-39.3	-179.2	-52.9	0	0	0	0	111.8	M9 I69 W103 V104 L105 R110 C111	M9-T107 HydrophobicContact SD-CG2 4.26Å; I69-T107 HydrophobicContact CD1-CG2 3.5Å; I69-T107 HydrophobicContact CG1-CG2 4.29Å; W103-T107 HydrophobicContact CZ2-CG2 4.4Å; W103-T107 VanDerWaalsContact O-CB 3.22Å; W103-T107 WeakPolarHBondContact O-CB 3.47Å; W103-T107 PolarHBondContact O-N 3.49Å; W103-T107 PolarHBondContact O-OG1 3.19Å; V104-T107 PolarHBondContact O-N 3.02Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-T107 PolarHBondContact O-N 3.38Å; T107-R110 PolarHBondContact O-N 3.11Å; T107-R110 PolarHBondContact OG1-NH2 2.91Å; T107-C111 PolarHBondContact O-N 3.25Å; T107-C111 PolarHBondContact O-SG 3.47Å
108	I	89.9	Confident	85.2	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-47.9	171.6	-65.6	168.8	0	0	0	109.3	I66 I69 K70 I81 V104 L105 R110 C111 E112 L135	I66-I108 HydrophobicContact CG2-CG1 4.43Å; I66-I108 HydrophobicContact CG2-CG2 4.11Å; I69-I108 HydrophobicContact CB-CG1 4.35Å; I69-I108 HydrophobicContact CG2-CD1 4.33Å; I69-I108 HydrophobicContact CG2-CG1 3.85Å; K70-I108 HydrophobicContact CG-CD1 3.57Å; I81-I108 HydrophobicContact CD1-CD1 3.83Å; V104-I108 HydrophobicContact CG1-CD1 3.63Å; V104-I108 HydrophobicContact CG1-CG1 4.36Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.17Å; L105-I108 PolarHBondContact O-N 2.92Å; I108-R110 VanDerWaalsContact C-N 3.27Å; I108-R110 PolarHBondContact O-N 3.34Å; I108-C111 WeakPolarHBondContact O-CB 3.46Å; I108-C111 PolarHBondContact O-N 3.29Å; I108-E112 HydrophobicContact CG2-CG 4.15Å; I108-E112 WeakPolarHBondContact O-CG 3.35Å; I108-E112 PolarHBondContact O-N 3.36Å; I108-L135 HydrophobicContact CB-CD1 4.36Å; I108-L135 HydrophobicContact CG2-CD1 3.58Å
109	Y	89.2	Confident	84.8	Confident	18 Å²	18	21.6 Å²	21.6	7%	0.071	11%	0.109	C	C	.	.	H	α-helix	trans	-50	-46	175.1	164.9	-94.8	0	0	0	112.8	L105 F113 A132 K136 S139 I141 T142	L105-Y109 VanDerWaalsContact O-CB 3.28Å; L105-Y109 WeakPolarHBondContact O-CB 3.48Å; L105-Y109 PolarHBondContact O-N 2.81Å; Y109-F113 WeakPolarHBondContact O-CB 3.49Å; Y109-F113 PolarHBondContact O-N 3.49Å; Y109-A132 HydrophobicContact CD2-CB 4.01Å; Y109-A132 WeakPolarHBondContact CD2-O 3.44Å; Y109-A132 HydrophobicContact CE2-CB 4.13Å; Y109-K136 HydrophobicContact CD1-CD 4.34Å; Y109-K136 HydrophobicContact CD2-CB 3.6Å; Y109-K136 HydrophobicContact CD2-CD 4.43Å; Y109-K136 HydrophobicContact CE1-CD 4.38Å; Y109-K136 HydrophobicContact CE2-CB 3.83Å; Y109-K136 HydrophobicContact CE2-CD 4.45Å; Y109-K136 HydrophobicContact CG-CB 4.17Å; Y109-K136 HydrophobicContact CG-CD 4.37Å; Y109-S139 PolarHBondContact OH-OG 2.92Å; Y109-I141 VanDerWaalsContact OH-CG2 3.29Å; Y109-I141 WeakPolarHBondContact OH-CG2 3.38Å; Y109-T142 WeakPolarHBondContact CE2-OG1 3.09Å; Y109-T142 PolarHBondContact OH-OG1 2.9Å
110	R	87.3	Confident	83.7	Confident	47 Å²	47	24.2 Å²	24.2	18%	0.177	12%	0.124	C	C	.	.	H	α-helix	trans	-67.7	-41.5	177.3	-70.4	-172.3	-55.3	-78.8	0.2	112.6	E21 D106 T107 I108 E112 F113 E114	E21-R110 VanDerWaalsContact CD-NE 3.3Å; E21-R110 WeakPolarHBondContact OE1-CB 3.49Å; E21-R110 IonicContact OE1-NE 3.46Å; E21-R110 PolarHBondContact OE1-NE 2.98Å; E21-R110 VanDerWaalsContact OE1-NE 3.12Å; E21-R110 IonicContact OE2-CZ 3.59Å; E21-R110 IonicContact OE2-NE 2.79Å; E21-R110 PolarHBondContact OE2-NE 2.88Å; E21-R110 IonicContact OE2-NH2 3.3Å; E21-R110 PolarHBondContact OE2-NH2 2.9Å; D106-R110 WeakPolarHBondContact O-CG 3.42Å; D106-R110 PolarHBondContact O-N 2.81Å; D106-R110 VanDerWaalsContact O-N 3.15Å; D106-R110 PolarHBondContact O-NH1 3.41Å; T107-R110 PolarHBondContact O-N 3.11Å; T107-R110 PolarHBondContact OG1-NH2 2.91Å; I108-R110 VanDerWaalsContact C-N 3.27Å; I108-R110 PolarHBondContact O-N 3.34Å; R110-E112 VanDerWaalsContact C-N 3.34Å; R110-E112 PolarHBondContact O-N 3.27Å; R110-F113 PolarHBondContact O-N 2.96Å; R110-E114 WeakPolarHBondContact O-CB 3.28Å; R110-E114 VanDerWaalsContact O-CG 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 2.74Å
111	C	86	Confident	82.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-43.3	175.7	-67.2	0	0	0	0	112.1	Y62 I66 T107 I108 E114 D115	Y62-C111 HydrophobicContact CD1-CB 3.81Å; Y62-C111 HydrophobicContact CE1-CB 4.41Å; I66-C111 HydrophobicContact CD1-CB 3.72Å; I66-C111 HydrophobicContact CG1-CB 3.46Å; I66-C111 VanDerWaalsContact CG1-CB 3.46Å; T107-C111 PolarHBondContact O-N 3.25Å; T107-C111 PolarHBondContact O-SG 3.47Å; I108-C111 WeakPolarHBondContact O-CB 3.46Å; I108-C111 PolarHBondContact O-N 3.29Å; C111-E114 PolarHBondContact O-N 2.84Å; C111-D115 WeakPolarHBondContact O-CB 3.32Å; C111-D115 PolarHBondContact O-N 2.77Å
112	E	84.1	Confident	81.4	Confident	14 Å²	14	26.7 Å²	26.7	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.2	-60.5	-62.9	175.7	0	0	111.1	I66 I108 R110 D115 A116 F128 A132 L135	I66-E112 HydrophobicContact CD1-CG 4.41Å; I108-E112 HydrophobicContact CG2-CG 4.15Å; I108-E112 WeakPolarHBondContact O-CG 3.35Å; I108-E112 PolarHBondContact O-N 3.36Å; R110-E112 VanDerWaalsContact C-N 3.34Å; R110-E112 PolarHBondContact O-N 3.27Å; E112-D115 PolarHBondContact O-N 3Å; E112-A116 PolarHBondContact O-N 3.17Å; E112-F128 WeakPolarHBondContact OE2-CD1 3.32Å; E112-F128 WeakPolarHBondContact OE2-CE1 3.45Å; E112-A132 HydrophobicContact CB-CB 3.92Å; E112-L135 HydrophobicContact CG-CD1 4.12Å
113	F	82.7	Confident	80.4	Confident	27 Å²	27	27.2 Å²	27.2	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-44.4	177.3	-170.2	-76	0	0	0	111.9	Y109 R110 A116 D117 Y129 I141 Q145	Y109-F113 WeakPolarHBondContact O-CB 3.49Å; Y109-F113 PolarHBondContact O-N 3.49Å; R110-F113 PolarHBondContact O-N 2.96Å; F113-A116 WeakPolarHBondContact O-CB 3.41Å; F113-A116 PolarHBondContact O-N 2.89Å; F113-D117 PolarHBondContact O-N 3.12Å; F113-D117 VanDerWaalsContact O-N 3.15Å; F113-Y129 HydrophobicContact CD1-CE1 4.43Å; F113-Y129 HydrophobicContact CD2-CD1 4.18Å; F113-Y129 AromaticContact CD2-CE1 3.87Å; F113-Y129 HydrophobicContact CD2-CE1 3.87Å; F113-Y129 HydrophobicContact CE1-CE1 4.44Å; F113-Y129 HydrophobicContact CE2-CD1 4.42Å; F113-Y129 AromaticContact CE2-CE1 3.9Å; F113-Y129 HydrophobicContact CE2-CE1 3.9Å; F113-Y129 HydrophobicContact CG-CE1 4.16Å; F113-Y129 HydrophobicContact CZ-CE1 4.21Å; F113-I141 HydrophobicContact CE2-CG1 4.46Å; F113-I141 HydrophobicContact CE2-CG2 4.05Å; F113-I141 HydrophobicContact CZ-CG1 4.27Å; F113-Q145 HydrophobicContact CE1-CG 4.2Å; F113-Q145 HydrophobicContact CE2-CG 3.75Å; F113-Q145 HydrophobicContact CZ-CG 3.33Å
114	E	82.9	Confident	79.8	Confident	15 Å²	15	30.3 Å²	30.3	7%	0.07	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-38.7	177.4	-70.6	176	172.6	0	0	111.4	W25 Y62 R110 C111 A116 D117 L118	W25-E114 VanDerWaalsContact CB-OE1 3.28Å; W25-E114 WeakPolarHBondContact CB-OE1 3.28Å; W25-E114 WeakPolarHBondContact CB-OE2 3.26Å; W25-E114 HydrophobicContact CD2-CB 4.02Å; W25-E114 HydrophobicContact CD2-CG 3.73Å; W25-E114 HydrophobicContact CE3-CB 3.98Å; W25-E114 HydrophobicContact CE3-CG 4.21Å; W25-E114 HydrophobicContact CG-CG 3.89Å; W25-E114 HydrophobicContact CH2-CB 4.15Å; W25-E114 WeakPolarHBondContact CH2-O 3.27Å; W25-E114 HydrophobicContact CZ2-CB 4.18Å; W25-E114 HydrophobicContact CZ2-CG 4.22Å; W25-E114 HydrophobicContact CZ3-CB 4.04Å; Y62-E114 HydrophobicContact CE1-CB 4.26Å; Y62-E114 WeakPolarHBondContact CE1-OE2 3.42Å; Y62-E114 PolarHBondContact OH-OE2 2.99Å; R110-E114 WeakPolarHBondContact O-CB 3.28Å; R110-E114 VanDerWaalsContact O-CG 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.48Å; R110-E114 PolarHBondContact O-N 2.74Å; C111-E114 PolarHBondContact O-N 2.84Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.3Å; E114-D117 PolarHBondContact O-N 2.92Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 3.38Å; E114-L118 VanDerWaalsContact O-N 3.16Å
115	D	77.5	Confident	79.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-35.6	174.7	-160.9	25.1	0	0	0	112	C59 C111 E112 L118 K119 F128	C59-D115 VanDerWaalsContact CA-OD1 3.26Å; C59-D115 WeakPolarHBondContact CA-OD1 3.23Å; C59-D115 VanDerWaalsContact CB-OD1 3.31Å; C59-D115 WeakPolarHBondContact CB-OD1 3.14Å; C59-D115 PolarHBondContact SG-OD1 3.1Å; C111-D115 WeakPolarHBondContact O-CB 3.32Å; C111-D115 PolarHBondContact O-N 2.77Å; E112-D115 PolarHBondContact O-N 3Å; D115-L118 WeakPolarHBondContact O-CB 3.44Å; D115-L118 PolarHBondContact O-N 3.38Å; D115-K119 WeakPolarHBondContact O-CE 3.46Å; D115-K119 WeakPolarHBondContact O-CG 3.19Å; D115-K119 PolarHBondContact O-N 3.26Å; D115-K119 WeakPolarHBondContact OD1-CE 3.11Å; D115-K119 IonicContact OD1-NZ 3.24Å; D115-K119 PolarHBondContact OD1-NZ 3.05Å; D115-K119 IonicContact OD2-NZ 2.71Å; D115-K119 PolarHBondContact OD2-NZ 2.76Å; D115-F128 HydrophobicContact CB-CD1 4.02Å; D115-F128 HydrophobicContact CB-CE1 4.21Å; D115-F128 HydrophobicContact CB-CG 4.46Å; D115-F128 WeakPolarHBondContact OD2-CE1 3.37Å; D115-F128 WeakPolarHBondContact OD2-CZ 3.11Å
116	A	78.2	Confident	79.1	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-45.1	171.8	0	0	0	0	0	112	E112 F113 E114 L118 K119 F128 Y129	E112-A116 PolarHBondContact O-N 3.17Å; F113-A116 WeakPolarHBondContact O-CB 3.41Å; F113-A116 PolarHBondContact O-N 2.89Å; E114-A116 VanDerWaalsContact C-N 3.32Å; E114-A116 PolarHBondContact O-N 3.3Å; A116-L118 PolarHBondContact O-N 3.1Å; A116-K119 PolarHBondContact O-N 2.93Å; A116-F128 HydrophobicContact CB-CB 3.58Å; A116-Y129 HydrophobicContact CB-CD1 3.75Å; A116-Y129 HydrophobicContact CB-CD2 3.72Å; A116-Y129 HydrophobicContact CB-CE1 3.63Å; A116-Y129 HydrophobicContact CB-CE2 3.59Å; A116-Y129 HydrophobicContact CB-CG 3.8Å
117	D	75.4	Confident	78.9	Confident	43 Å²	43	37.4 Å²	37.4	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-27.5	178.4	-92.3	-23.3	0	0	0	113.4	W25 R37 F113 E114 Y129	W25-D117 HydrophobicContact CH2-CB 4.17Å; W25-D117 HydrophobicContact CZ2-CB 4.02Å; R37-D117 PolarHBondContact NH1-O 3.33Å; R37-D117 PolarHBondContact NH2-O 3.21Å; F113-D117 PolarHBondContact O-N 3.12Å; F113-D117 VanDerWaalsContact O-N 3.15Å; E114-D117 PolarHBondContact O-N 2.92Å; D117-Y129 PolarHBondContact OD1-OH 3.23Å
118	L	73.3	Confident	78.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-72.1	-33.9	176.1	-71.1	175.5	0	0	0	112.8	W25 I33 R37 I55 A58 Y62 E114 D115 A116	W25-L118 HydrophobicContact CH2-CD1 4.5Å; W25-L118 HydrophobicContact CH2-CD2 3.66Å; W25-L118 HydrophobicContact CH2-CG 3.69Å; W25-L118 HydrophobicContact CZ3-CD1 3.98Å; W25-L118 HydrophobicContact CZ3-CD2 3.55Å; W25-L118 HydrophobicContact CZ3-CG 3.63Å; I33-L118 HydrophobicContact CD1-CD2 3.04Å; R37-L118 PolarHBondContact NH2-O 2.97Å; I55-L118 HydrophobicContact CG2-CB 4.33Å; I55-L118 VanDerWaalsContact CG2-O 3.31Å; I55-L118 WeakPolarHBondContact CG2-O 3.41Å; A58-L118 HydrophobicContact CB-CD1 3.45Å; A58-L118 VanDerWaalsContact CB-CD1 3.45Å; A58-L118 HydrophobicContact CB-CD2 4.1Å; A58-L118 HydrophobicContact CB-CG 4.43Å; Y62-L118 HydrophobicContact CD2-CD1 4.11Å; Y62-L118 HydrophobicContact CE2-CD1 4.38Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 3.38Å; E114-L118 VanDerWaalsContact O-N 3.16Å; D115-L118 WeakPolarHBondContact O-CB 3.44Å; D115-L118 PolarHBondContact O-N 3.38Å; A116-L118 PolarHBondContact O-N 3.1Å
119	K	72.6	Confident	78.7	Confident	32 Å²	32	38.6 Å²	38.6	14%	0.139	20%	0.201	C	C	.	.			trans	-62.3	143.8	-173.3	-54.9	-49.2	-178.6	-162.9	0	111.4	R37 C59 D115 A116 D124 A125 F128	R37-K119 PolarHBondContact NH2-O 2.97Å; C59-K119 PolarHBondContact SG-NZ 3.2Å; D115-K119 WeakPolarHBondContact O-CE 3.46Å; D115-K119 WeakPolarHBondContact O-CG 3.19Å; D115-K119 PolarHBondContact O-N 3.26Å; D115-K119 WeakPolarHBondContact OD1-CE 3.11Å; D115-K119 IonicContact OD1-NZ 3.24Å; D115-K119 PolarHBondContact OD1-NZ 3.05Å; D115-K119 IonicContact OD2-NZ 2.71Å; D115-K119 PolarHBondContact OD2-NZ 2.76Å; A116-K119 PolarHBondContact O-N 2.93Å; K119-D124 HydrophobicContact CB-CB 4.08Å; K119-D124 HydrophobicContact CD-CB 4.1Å; K119-D124 HydrophobicContact CG-CB 3.79Å; K119-A125 HydrophobicContact CB-CB 3.96Å; K119-A125 HydrophobicContact CG-CB 4.46Å; K119-F128 HydrophobicContact CD-CD2 4.48Å; K119-F128 HydrophobicContact CD-CE2 4.46Å; K119-F128 HydrophobicContact CG-CD2 4.29Å
120	T	66.4	Low	78.6	Confident	88 Å²	88	39.3 Å²	39.3	54%	0.54	21%	0.208	S	C	.	.	S	Bend	trans	-102.2	-23.5	174.1	56.8	0	0	0	0	112.1	I55	I55-T120 HydrophobicContact CD1-CG2 3.8Å
121	D	63.9	Low	78.6	Confident	92 Å²	92	39.5 Å²	39.5	49%	0.492	21%	0.211	S	C	.	.	S	Bend	trans	-84.6	133.2	170.6	-169.5	-75	0	0	0	109.8	G123 D124 A125	D121-G123 WeakPolarHBondContact OD1-CA 3.05Å; D121-G123 PolarHBondContact OD1-N 2.92Å; D121-D124 HydrophobicContact CB-CB 4.29Å; D121-D124 PolarHBondContact OD1-N 2.99Å; D121-A125 PolarHBondContact O-N 2.99Å; D121-A125 VanDerWaalsContact O-N 3.14Å
122	C	64.7	Low	78.8	Confident	66 Å²	66	39.5 Å²	39.5	45%	0.446	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-36.8	-177.4	-167.9	0	0	0	0	112.1	A125 E126	C122-A125 PolarHBondContact O-N 3.47Å; C122-E126 WeakPolarHBondContact O-CB 3.37Å; C122-E126 PolarHBondContact O-N 3.49Å
123	G	68.7	Low	79	Confident	39 Å²	39	39.1 Å²	39.1	40%	0.402	21%	0.21	S	C	.	.	H	α-helix	trans	-68.3	-39.5	179.9	0	0	0	0	0	112.2	D121 R127	D121-G123 WeakPolarHBondContact OD1-CA 3.05Å; D121-G123 PolarHBondContact OD1-N 2.92Å; G123-R127 PolarHBondContact O-N 3.34Å
124	D	76	Confident	79.3	Confident	86 Å²	86	38.1 Å²	38.1	46%	0.46	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-48.9	172.3	-75.6	-22.7	0	0	0	110.4	K119 D121 E126 R127 F128	K119-D124 HydrophobicContact CB-CB 4.08Å; K119-D124 HydrophobicContact CD-CB 4.1Å; K119-D124 HydrophobicContact CG-CB 3.79Å; D121-D124 HydrophobicContact CB-CB 4.29Å; D121-D124 PolarHBondContact OD1-N 2.99Å; D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 2.85Å; D124-R127 PolarHBondContact O-N 3.15Å; D124-F128 VanDerWaalsContact O-CD2 3.23Å; D124-F128 WeakPolarHBondContact O-CD2 3.36Å; D124-F128 PolarHBondContact O-N 2.96Å
125	A	80.6	Confident	79.6	Confident	3 Å²	3	37.8 Å²	37.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-45.5	179.6	0	0	0	0	0	112.3	K119 D121 C122 R127 F128 Y129 L149	K119-A125 HydrophobicContact CB-CB 3.96Å; K119-A125 HydrophobicContact CG-CB 4.46Å; D121-A125 PolarHBondContact O-N 2.99Å; D121-A125 VanDerWaalsContact O-N 3.14Å; C122-A125 PolarHBondContact O-N 3.47Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 2.91Å; A125-F128 PolarHBondContact O-N 3.36Å; A125-Y129 WeakPolarHBondContact O-CD2 3.42Å; A125-Y129 PolarHBondContact O-N 2.81Å; A125-L149 HydrophobicContact CB-CD1 3.79Å; A125-L149 HydrophobicContact CB-CD2 4.04Å
126	E	84.9	Confident	80.1	Confident	57 Å²	57	40.1 Å²	40.1	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-56.7	-45.1	178.5	176.3	177.7	-155.6	0	0	111.9	C122 D124 F128 Y129 C130 L146 L149 Y150	C122-E126 WeakPolarHBondContact O-CB 3.37Å; C122-E126 PolarHBondContact O-N 3.49Å; D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 PolarHBondContact O-N 2.85Å; E126-F128 PolarHBondContact O-N 2.8Å; E126-Y129 PolarHBondContact O-N 3.15Å; E126-C130 WeakPolarHBondContact O-CB 3.42Å; E126-C130 PolarHBondContact O-N 3.04Å; E126-C130 PolarHBondContact O-SG 3.36Å; E126-L146 HydrophobicContact CG-CD2 4.34Å; E126-L149 HydrophobicContact CB-CD1 4.48Å; E126-Y150 PolarHBondContact OE1-OH 3.32Å; E126-Y150 PolarHBondContact OE2-OH 3.48Å
127	R	84.2	Confident	80.5	Confident	155 Å²	155	40.7 Å²	40.7	59%	0.585	22%	0.218	S	C	*	.	H	α-helix	trans	-58.6	-50	179.7	178.5	-177.4	166.9	173.5	-2.3	111.2	G123 D124 A125 Y129 C130 E131	G123-R127 PolarHBondContact O-N 3.34Å; D124-R127 PolarHBondContact O-N 3.15Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 2.91Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; R127-Y129 PolarHBondContact O-N 3.45Å; R127-C130 WeakPolarHBondContact O-CB 3.38Å; R127-C130 PolarHBondContact O-N 2.76Å; R127-C130 VanDerWaalsContact O-N 3.11Å; R127-E131 IonicContact CZ-OE1 2.79Å; R127-E131 IonicContact NE-OE1 3.44Å; R127-E131 PolarHBondContact NE-OE1 3.32Å; R127-E131 IonicContact NH2-OE1 2.93Å; R127-E131 PolarHBondContact NH2-OE1 3.16Å; R127-E131 WeakPolarHBondContact O-CG 3.48Å; R127-E131 PolarHBondContact O-N 3.36Å
128	F	84.4	Confident	81.2	Confident	21 Å²	21	43 Å²	43	9%	0.092	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-39.7	-179.9	-79.3	-80	0	0	0	112.1	L63 E112 D115 A116 K119 D124 A125 E126 C130 E131 A132	L63-F128 HydrophobicContact CD2-CE1 4.27Å; L63-F128 HydrophobicContact CD2-CZ 4.42Å; E112-F128 WeakPolarHBondContact OE2-CD1 3.32Å; E112-F128 WeakPolarHBondContact OE2-CE1 3.45Å; D115-F128 HydrophobicContact CB-CD1 4.02Å; D115-F128 HydrophobicContact CB-CE1 4.21Å; D115-F128 HydrophobicContact CB-CG 4.46Å; D115-F128 WeakPolarHBondContact OD2-CE1 3.37Å; D115-F128 WeakPolarHBondContact OD2-CZ 3.11Å; A116-F128 HydrophobicContact CB-CB 3.58Å; K119-F128 HydrophobicContact CD-CD2 4.48Å; K119-F128 HydrophobicContact CD-CE2 4.46Å; K119-F128 HydrophobicContact CG-CD2 4.29Å; D124-F128 VanDerWaalsContact O-CD2 3.23Å; D124-F128 WeakPolarHBondContact O-CD2 3.36Å; D124-F128 PolarHBondContact O-N 2.96Å; A125-F128 PolarHBondContact O-N 3.36Å; E126-F128 PolarHBondContact O-N 2.8Å; F128-C130 VanDerWaalsContact C-N 3.35Å; F128-C130 PolarHBondContact O-N 2.76Å; F128-E131 PolarHBondContact O-N 3.12Å; F128-A132 WeakPolarHBondContact O-CB 3.01Å; F128-A132 PolarHBondContact O-N 2.95Å
129	Y	89.2	Confident	82	Confident	5 Å²	5	43.4 Å²	43.4	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-37	172	-75.4	-53.7	0	0	0	113.1	F113 A116 D117 A125 E126 R127 A132 L133 T142 Q145 L146 L149	F113-Y129 HydrophobicContact CD1-CE1 4.43Å; F113-Y129 HydrophobicContact CD2-CD1 4.18Å; F113-Y129 AromaticContact CD2-CE1 3.87Å; F113-Y129 HydrophobicContact CD2-CE1 3.87Å; F113-Y129 HydrophobicContact CE1-CE1 4.44Å; F113-Y129 HydrophobicContact CE2-CD1 4.42Å; F113-Y129 AromaticContact CE2-CE1 3.9Å; F113-Y129 HydrophobicContact CE2-CE1 3.9Å; F113-Y129 HydrophobicContact CG-CE1 4.16Å; F113-Y129 HydrophobicContact CZ-CE1 4.21Å; A116-Y129 HydrophobicContact CB-CD1 3.75Å; A116-Y129 HydrophobicContact CB-CD2 3.72Å; A116-Y129 HydrophobicContact CB-CE1 3.63Å; A116-Y129 HydrophobicContact CB-CE2 3.59Å; A116-Y129 HydrophobicContact CB-CG 3.8Å; D117-Y129 PolarHBondContact OD1-OH 3.23Å; A125-Y129 WeakPolarHBondContact O-CD2 3.42Å; A125-Y129 PolarHBondContact O-N 2.81Å; E126-Y129 PolarHBondContact O-N 3.15Å; R127-Y129 VanDerWaalsContact C-N 3.35Å; R127-Y129 PolarHBondContact O-N 3.45Å; Y129-A132 PolarHBondContact O-N 3.32Å; Y129-L133 VanDerWaalsContact O-CB 3.23Å; Y129-L133 WeakPolarHBondContact O-CB 3.47Å; Y129-L133 PolarHBondContact O-N 3.07Å; Y129-T142 HydrophobicContact CD1-CG2 4.04Å; Y129-T142 VanDerWaalsContact O-CG2 3.26Å; Y129-T142 WeakPolarHBondContact O-CG2 3.44Å; Y129-Q145 HydrophobicContact CD1-CB 4.1Å; Y129-Q145 HydrophobicContact CD2-CB 4.47Å; Y129-Q145 HydrophobicContact CE1-CB 3.47Å; Y129-Q145 VanDerWaalsContact CE1-CB 3.47Å; Y129-Q145 HydrophobicContact CE1-CG 3.8Å; Y129-Q145 HydrophobicContact CE2-CB 3.9Å; Y129-Q145 WeakPolarHBondContact OH-CB 3.46Å; Y129-L146 HydrophobicContact CD2-CD2 4.38Å; Y129-L146 HydrophobicContact CG-CD2 4.34Å; Y129-L146 HydrophobicContact CG-CG 4.42Å; Y129-L149 HydrophobicContact CD2-CD1 3.46Å; Y129-L149 VanDerWaalsContact CD2-CD1 3.46Å; Y129-L149 HydrophobicContact CD2-CG 4.36Å; Y129-L149 HydrophobicContact CE2-CD1 3.66Å; Y129-L149 HydrophobicContact CE2-CG 4.13Å
130	C	87.8	Confident	82.9	Confident	33 Å²	33	41.9 Å²	41.9	22%	0.223	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-34.7	175.8	-74.4	0	0	0	0	112.7	R89 E126 R127 F128 S134	R89-C130 PolarHBondContact NH2-O 2.53Å; E126-C130 WeakPolarHBondContact O-CB 3.42Å; E126-C130 PolarHBondContact O-N 3.04Å; E126-C130 PolarHBondContact O-SG 3.36Å; R127-C130 WeakPolarHBondContact O-CB 3.38Å; R127-C130 PolarHBondContact O-N 2.76Å; R127-C130 VanDerWaalsContact O-N 3.11Å; F128-C130 VanDerWaalsContact C-N 3.35Å; F128-C130 PolarHBondContact O-N 2.76Å; C130-S134 PolarHBondContact O-N 3.23Å; C130-S134 VanDerWaalsContact O-N 3.08Å; C130-S134 PolarHBondContact O-OG 2.95Å
131	E	87.1	Confident	84.2	Confident	51 Å²	51	40.6 Å²	40.6	24%	0.238	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-49.6	172.9	-71.5	178.6	-167.9	0	0	110.2	R127 F128 L133 S134 L135	R127-E131 IonicContact CZ-OE1 2.79Å; R127-E131 IonicContact NE-OE1 3.44Å; R127-E131 PolarHBondContact NE-OE1 3.32Å; R127-E131 IonicContact NH2-OE1 2.93Å; R127-E131 PolarHBondContact NH2-OE1 3.16Å; R127-E131 WeakPolarHBondContact O-CG 3.48Å; R127-E131 PolarHBondContact O-N 3.36Å; F128-E131 PolarHBondContact O-N 3.12Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.2Å; E131-S134 WeakPolarHBondContact O-CB 3.31Å; E131-S134 PolarHBondContact O-N 3.3Å; E131-L135 PolarHBondContact O-N 3.4Å
132	A	89.8	Confident	85.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-44.7	173.6	0	0	0	0	0	112.1	Y109 E112 F128 Y129 S134 L135 K136 T142	Y109-A132 HydrophobicContact CD2-CB 4.01Å; Y109-A132 WeakPolarHBondContact CD2-O 3.44Å; Y109-A132 HydrophobicContact CE2-CB 4.13Å; E112-A132 HydrophobicContact CB-CB 3.92Å; F128-A132 WeakPolarHBondContact O-CB 3.01Å; F128-A132 PolarHBondContact O-N 2.95Å; Y129-A132 PolarHBondContact O-N 3.32Å; A132-S134 PolarHBondContact O-N 3.46Å; A132-L135 PolarHBondContact O-N 2.89Å; A132-K136 PolarHBondContact O-N 3.14Å; A132-K136 VanDerWaalsContact O-N 3.08Å; A132-T142 HydrophobicContact CB-CG2 4.36Å
133	L	89.5	Confident	87.1	Confident	6 Å²	6	33.2 Å²	33.2	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-34.5	177.8	-179	64.7	0	0	0	112.1	Y129 E131 L135 K136 P137 T142 Y143 L146	Y129-L133 VanDerWaalsContact O-CB 3.23Å; Y129-L133 WeakPolarHBondContact O-CB 3.47Å; Y129-L133 PolarHBondContact O-N 3.07Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.2Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-K136 CarbonylContact O-C 3.52Å; L133-K136 PolarHBondContact O-N 3.49Å; L133-P137 VanDerWaalsContact O-CA 3.24Å; L133-P137 WeakPolarHBondContact O-CA 3.22Å; L133-P137 VanDerWaalsContact O-N 3.11Å; L133-T142 HydrophobicContact CB-CG2 3.92Å; L133-Y143 HydrophobicContact CD1-CD1 4.33Å; L133-Y143 HydrophobicContact CD1-CD2 4.14Å; L133-Y143 HydrophobicContact CD1-CE1 3.79Å; L133-Y143 HydrophobicContact CD1-CE2 3.53Å; L133-Y143 HydrophobicContact CD1-CG 4.5Å; L133-Y143 WeakPolarHBondContact CD1-OH 3.39Å; L133-Y143 HydrophobicContact CD2-CD1 4.2Å; L133-Y143 HydrophobicContact CD2-CE1 3.42Å; L133-Y143 VanDerWaalsContact CD2-CE1 3.42Å; L133-Y143 HydrophobicContact CG-CE1 4.24Å; L133-L146 HydrophobicContact CD2-CD1 4.38Å
134	S	88.7	Confident	88.4	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176.9	-54.3	0	0	0	0	110.8	P85 F88 R89 C130 E131 A132	P85-S134 WeakPolarHBondContact O-CB 3.4Å; F88-S134 CarbonylContact C-O 3.5Å; F88-S134 WeakPolarHBondContact CB-O 3.16Å; R89-S134 PolarHBondContact NE-OG 2.99Å; R89-S134 PolarHBondContact NH2-OG 3.1Å; C130-S134 PolarHBondContact O-N 3.23Å; C130-S134 VanDerWaalsContact O-N 3.08Å; C130-S134 PolarHBondContact O-OG 2.95Å; E131-S134 WeakPolarHBondContact O-CB 3.31Å; E131-S134 PolarHBondContact O-N 3.3Å; A132-S134 PolarHBondContact O-N 3.46Å
135	L	88.7	Confident	89.2	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-34.9	178.8	-60.3	171.7	0	0	0	113.3	P85 F88 L105 I108 E112 E131 A132 L133	P85-L135 HydrophobicContact CB-CD2 4.33Å; F88-L135 HydrophobicContact CD2-CD2 3.98Å; F88-L135 HydrophobicContact CE2-CD2 4.08Å; L105-L135 HydrophobicContact CD1-CB 4.14Å; L105-L135 HydrophobicContact CD1-CD2 3.88Å; I108-L135 HydrophobicContact CB-CD1 4.36Å; I108-L135 HydrophobicContact CG2-CD1 3.58Å; E112-L135 HydrophobicContact CG-CD1 4.12Å; E131-L135 PolarHBondContact O-N 3.4Å; A132-L135 PolarHBondContact O-N 2.89Å; L133-L135 VanDerWaalsContact C-N 3.34Å
136	K	88.5	Confident	89.8	Confident	48 Å²	48	29.7 Å²	29.7	21%	0.209	14%	0.138	C	C	.	.			trans	-138.2	73.2	-178.1	-160.2	175.5	-176.8	154.8	0	112.1	D106 Y109 A132 L133 K138 S139 E171	D106-K136 IonicContact OD1-NZ 3.63Å; D106-K136 PolarHBondContact OD1-NZ 3.12Å; Y109-K136 HydrophobicContact CD1-CD 4.34Å; Y109-K136 HydrophobicContact CD2-CB 3.6Å; Y109-K136 HydrophobicContact CD2-CD 4.43Å; Y109-K136 HydrophobicContact CE1-CD 4.38Å; Y109-K136 HydrophobicContact CE2-CB 3.83Å; Y109-K136 HydrophobicContact CE2-CD 4.45Å; Y109-K136 HydrophobicContact CG-CB 4.17Å; Y109-K136 HydrophobicContact CG-CD 4.37Å; A132-K136 PolarHBondContact O-N 3.14Å; A132-K136 VanDerWaalsContact O-N 3.08Å; L133-K136 CarbonylContact O-C 3.52Å; L133-K136 PolarHBondContact O-N 3.49Å; K136-K138 PolarHBondContact O-N 3.47Å; K136-K138 VanDerWaalsContact O-N 3.14Å; K136-S139 PolarHBondContact O-N 3.26Å; K136-S139 VanDerWaalsContact O-N 3.1Å; K136-E171 WeakPolarHBondContact CE-OE1 3.36Å; K136-E171 WeakPolarHBondContact CE-OE2 3.41Å; K136-E171 IonicContact NZ-OE1 3.12Å
137	P	87.1	Confident	90.2	Very high	14 Å²	14	27 Å²	27	9%	0.091	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.5	-174.1	25.5	-35.6	0	0	0	113.7	S92 L133 S139 Y494	S92-P137 WeakPolarHBondContact OG-CG 3.12Å; L133-P137 VanDerWaalsContact O-CA 3.24Å; L133-P137 WeakPolarHBondContact O-CA 3.22Å; L133-P137 VanDerWaalsContact O-N 3.11Å; P137-S139 VanDerWaalsContact C-N 3.28Å; P137-S139 PolarHBondContact O-N 3.08Å; P137-Y494 HydrophobicContact CB-CE2 4.27Å; P137-Y494 WeakPolarHBondContact CB-OH 3.33Å
138	K	88.7	Confident	90.7	Very high	91 Å²	91	22.7 Å²	22.7	40%	0.396	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.8	178.5	-64.4	-179.7	170.2	-138.9	0	113.8	K136 G140 E170 E171	K136-K138 PolarHBondContact O-N 3.47Å; K136-K138 VanDerWaalsContact O-N 3.14Å; K138-G140 PolarHBondContact O-N 3.12Å; K138-E170 HydrophobicContact CB-CB 4.45Å; K138-E170 WeakPolarHBondContact CD-OE2 3.36Å; K138-E170 WeakPolarHBondContact CE-OE1 3.32Å; K138-E170 WeakPolarHBondContact CE-OE2 3.35Å; K138-E170 VanDerWaalsContact NZ-CD 3.31Å; K138-E170 IonicContact NZ-OE1 2.77Å; K138-E170 PolarHBondContact NZ-OE1 2.69Å; K138-E170 IonicContact NZ-OE2 3.53Å; K138-E170 PolarHBondContact NZ-OE2 3.43Å; K138-E171 WeakPolarHBondContact O-CB 3.43Å; K138-E171 PolarHBondContact O-N 2.79Å; K138-E171 VanDerWaalsContact O-N 3.17Å
139	S	90.2	Very high	90.8	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.07	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-83.4	112	-174.5	-147.3	0	0	0	0	112.1	Y109 K136 P137 I141 E171	Y109-S139 PolarHBondContact OH-OG 2.92Å; K136-S139 PolarHBondContact O-N 3.26Å; K136-S139 VanDerWaalsContact O-N 3.1Å; P137-S139 VanDerWaalsContact C-N 3.28Å; P137-S139 PolarHBondContact O-N 3.08Å; S139-I141 VanDerWaalsContact C-N 3.29Å; S139-I141 PolarHBondContact O-N 2.91Å; S139-E171 WeakPolarHBondContact CA-OE2 3.35Å; S139-E171 WeakPolarHBondContact CB-OE2 3.41Å; S139-E171 PolarHBondContact OG-OE2 2.95Å
140	G	92.7	Very high	90.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-25.2	-178	0	0	0	0	0	113.9	K138 T142 Y143 N144 C166 E171	K138-G140 PolarHBondContact O-N 3.12Å; G140-T142 VanDerWaalsContact C-N 3.33Å; G140-T142 PolarHBondContact O-N 2.9Å; G140-Y143 WeakPolarHBondContact O-CB 3.34Å; G140-Y143 PolarHBondContact O-N 3.09Å; G140-Y143 VanDerWaalsContact O-N 3.15Å; G140-N144 PolarHBondContact O-N 2.93Å; G140-N144 VanDerWaalsContact O-N 3.12Å; G140-C166 VanDerWaalsContact C-SG 3.56Å; G140-C166 WeakPolarHBondContact O-CB 3.36Å; G140-C166 PolarHBondContact O-SG 3.12Å; G140-E171 WeakPolarHBondContact CA-O 3.34Å; G140-E171 PolarHBondContact N-O 2.78Å
141	I	93.9	Very high	91	Very high	62 Å²	62	27.4 Å²	27.4	32%	0.318	14%	0.14	S	C	.	.	H	α-helix	trans	-66.5	-33.1	-172.5	-163.9	164.4	0	0	0	113.1	Y109 F113 S139 Y143 N144 Q145	Y109-I141 VanDerWaalsContact OH-CG2 3.29Å; Y109-I141 WeakPolarHBondContact OH-CG2 3.38Å; F113-I141 HydrophobicContact CE2-CG1 4.46Å; F113-I141 HydrophobicContact CE2-CG2 4.05Å; F113-I141 HydrophobicContact CZ-CG1 4.27Å; S139-I141 VanDerWaalsContact C-N 3.29Å; S139-I141 PolarHBondContact O-N 2.91Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.49Å; I141-N144 WeakPolarHBondContact O-CB 3.48Å; I141-N144 PolarHBondContact O-N 3.13Å; I141-N144 VanDerWaalsContact O-N 3.14Å; I141-Q145 PolarHBondContact O-N 3.33Å; I141-Q145 VanDerWaalsContact O-N 3.07Å
142	T	93.5	Very high	90.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-39.5	174.4	-53.9	0	0	0	0	111.5	Y109 Y129 A132 L133 G140 N144 Q145 L146	Y109-T142 WeakPolarHBondContact CE2-OG1 3.09Å; Y109-T142 PolarHBondContact OH-OG1 2.9Å; Y129-T142 HydrophobicContact CD1-CG2 4.04Å; Y129-T142 VanDerWaalsContact O-CG2 3.26Å; Y129-T142 WeakPolarHBondContact O-CG2 3.44Å; A132-T142 HydrophobicContact CB-CG2 4.36Å; L133-T142 HydrophobicContact CB-CG2 3.92Å; G140-T142 VanDerWaalsContact C-N 3.33Å; G140-T142 PolarHBondContact O-N 2.9Å; T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 2.95Å; T142-Q145 PolarHBondContact O-N 3.21Å; T142-L146 PolarHBondContact O-N 2.81Å
143	Y	94.7	Very high	90.5	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-42	171.6	-71.2	-60	0	0	0	111.9	L133 G140 I141 Q145 L146 G147 Y162 R165 S169 Y494	L133-Y143 HydrophobicContact CD1-CD1 4.33Å; L133-Y143 HydrophobicContact CD1-CD2 4.14Å; L133-Y143 HydrophobicContact CD1-CE1 3.79Å; L133-Y143 HydrophobicContact CD1-CE2 3.53Å; L133-Y143 HydrophobicContact CD1-CG 4.5Å; L133-Y143 WeakPolarHBondContact CD1-OH 3.39Å; L133-Y143 HydrophobicContact CD2-CD1 4.2Å; L133-Y143 HydrophobicContact CD2-CE1 3.42Å; L133-Y143 VanDerWaalsContact CD2-CE1 3.42Å; L133-Y143 HydrophobicContact CG-CE1 4.24Å; G140-Y143 WeakPolarHBondContact O-CB 3.34Å; G140-Y143 PolarHBondContact O-N 3.09Å; G140-Y143 VanDerWaalsContact O-N 3.15Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.49Å; Y143-Q145 VanDerWaalsContact C-N 3.28Å; Y143-Q145 PolarHBondContact O-N 3.31Å; Y143-L146 HydrophobicContact CD1-CD1 4.45Å; Y143-L146 PolarHBondContact O-N 3.18Å; Y143-G147 PolarHBondContact O-N 3.44Å; Y143-Y162 WeakPolarHBondContact CB-O 3.37Å; Y143-Y162 AromaticContact CD1-CD1 3.81Å; Y143-Y162 HydrophobicContact CD1-CD1 3.81Å; Y143-Y162 HydrophobicContact CD1-CE1 4.34Å; Y143-Y162 HydrophobicContact CE1-CD1 4.41Å; Y143-Y162 WeakPolarHBondContact O-CB 3.42Å; Y143-R165 HydrophobicContact CD1-CB 3.85Å; Y143-R165 HydrophobicContact CD1-CG 4.48Å; Y143-R165 HydrophobicContact CD2-CB 4.12Å; Y143-R165 HydrophobicContact CE1-CB 4.14Å; Y143-R165 HydrophobicContact CE1-CG 4.42Å; Y143-R165 HydrophobicContact CE2-CB 4.43Å; Y143-R165 HydrophobicContact CG-CB 3.82Å; Y143-R165 PolarHBondContact OH-NH2 3.29Å; Y143-S169 WeakPolarHBondContact CD2-OG 3.25Å; Y143-Y494 PolarHBondContact OH-OH 3.33Å
144	N	95.4	Very high	90.2	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-38.2	176.1	-179.8	89.2	0	0	0	112.2	G140 I141 T142 G147 T148 Y163 C166 F173 N179	G140-N144 PolarHBondContact O-N 2.93Å; G140-N144 VanDerWaalsContact O-N 3.12Å; I141-N144 WeakPolarHBondContact O-CB 3.48Å; I141-N144 PolarHBondContact O-N 3.13Å; I141-N144 VanDerWaalsContact O-N 3.14Å; T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 2.95Å; N144-G147 PolarHBondContact O-N 3.23Å; N144-T148 PolarHBondContact O-N 2.9Å; N144-T148 VanDerWaalsContact O-N 3.09Å; N144-T148 PolarHBondContact O-OG1 3.14Å; N144-T148 VanDerWaalsContact O-OG1 3.07Å; N144-Y163 VanDerWaalsContact O-CE1 3.3Å; N144-Y163 WeakPolarHBondContact O-CE1 3.43Å; N144-Y163 WeakPolarHBondContact OD1-CE1 3.49Å; N144-C166 HydrophobicContact CB-CB 4.43Å; N144-F173 HydrophobicContact CB-CD1 4.25Å; N144-N179 PolarHBondContact OD1-ND2 2.89Å
145	Q	93.5	Very high	90.2	Very high	44 Å²	44	32.3 Å²	32.3	21%	0.206	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-39.9	177	-60.2	-54.4	2	0	0	113.7	F113 Y129 I141 T142 Y143 G147 T148 L149	F113-Q145 HydrophobicContact CE1-CG 4.2Å; F113-Q145 HydrophobicContact CE2-CG 3.75Å; F113-Q145 HydrophobicContact CZ-CG 3.33Å; Y129-Q145 HydrophobicContact CD1-CB 4.1Å; Y129-Q145 HydrophobicContact CD2-CB 4.47Å; Y129-Q145 HydrophobicContact CE1-CB 3.47Å; Y129-Q145 VanDerWaalsContact CE1-CB 3.47Å; Y129-Q145 HydrophobicContact CE1-CG 3.8Å; Y129-Q145 HydrophobicContact CE2-CB 3.9Å; Y129-Q145 WeakPolarHBondContact OH-CB 3.46Å; I141-Q145 PolarHBondContact O-N 3.33Å; I141-Q145 VanDerWaalsContact O-N 3.07Å; T142-Q145 PolarHBondContact O-N 3.21Å; Y143-Q145 VanDerWaalsContact C-N 3.28Å; Y143-Q145 PolarHBondContact O-N 3.31Å; Q145-G147 PolarHBondContact O-N 2.98Å; Q145-T148 WeakPolarHBondContact O-CB 3.32Å; Q145-T148 PolarHBondContact O-N 3.39Å; Q145-T148 VanDerWaalsContact O-N 3.1Å; Q145-L149 PolarHBondContact O-N 2.75Å
146	L	92.5	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.3	-43.1	169	-74.4	168.4	0	0	0	110.6	E126 Y129 L133 T142 Y143 T148 L149 Y150 Y162	E126-L146 HydrophobicContact CG-CD2 4.34Å; Y129-L146 HydrophobicContact CD2-CD2 4.38Å; Y129-L146 HydrophobicContact CG-CD2 4.34Å; Y129-L146 HydrophobicContact CG-CG 4.42Å; L133-L146 HydrophobicContact CD2-CD1 4.38Å; T142-L146 PolarHBondContact O-N 2.81Å; Y143-L146 HydrophobicContact CD1-CD1 4.45Å; Y143-L146 PolarHBondContact O-N 3.18Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 2.83Å; L146-L149 PolarHBondContact O-N 3.32Å; L146-Y150 WeakPolarHBondContact O-CD2 3.31Å; L146-Y150 PolarHBondContact O-N 2.94Å; L146-Y162 HydrophobicContact CB-CD1 3.99Å; L146-Y162 HydrophobicContact CB-CD2 3.83Å; L146-Y162 HydrophobicContact CB-CE1 4.16Å; L146-Y162 HydrophobicContact CB-CE2 4.06Å; L146-Y162 HydrophobicContact CB-CG 3.8Å; L146-Y162 HydrophobicContact CD1-CD1 4.2Å; L146-Y162 HydrophobicContact CD1-CE1 3.85Å
147	G	95.1	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.7	-41.8	176	0	0	0	0	0	112.9	Y143 N144 Q145 Y150 S159	Y143-G147 PolarHBondContact O-N 3.44Å; N144-G147 PolarHBondContact O-N 3.23Å; Q145-G147 PolarHBondContact O-N 2.98Å; G147-Y150 PolarHBondContact O-N 3.47Å; G147-S159 VanDerWaalsContact O-CB 3.26Å; G147-S159 WeakPolarHBondContact O-CB 3.34Å; G147-S159 PolarHBondContact O-OG 3.26Å
148	T	93.1	Very high	90.9	Very high	65 Å²	65	30.7 Å²	30.7	40%	0.399	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-40.3	177.1	-55.6	0	0	0	0	112.7	N144 Q145 L146 Y150 V151 Y163	N144-T148 PolarHBondContact O-N 2.9Å; N144-T148 VanDerWaalsContact O-N 3.09Å; N144-T148 PolarHBondContact O-OG1 3.14Å; N144-T148 VanDerWaalsContact O-OG1 3.07Å; Q145-T148 WeakPolarHBondContact O-CB 3.32Å; Q145-T148 PolarHBondContact O-N 3.39Å; Q145-T148 VanDerWaalsContact O-N 3.1Å; L146-T148 VanDerWaalsContact C-N 3.27Å; L146-T148 PolarHBondContact O-N 2.83Å; T148-Y150 PolarHBondContact O-N 2.93Å; T148-V151 WeakPolarHBondContact O-CG2 3.23Å; T148-V151 PolarHBondContact O-N 3.32Å; T148-Y163 VanDerWaalsContact CA-OH 3.3Å; T148-Y163 WeakPolarHBondContact CA-OH 3.42Å; T148-Y163 PolarHBondContact N-OH 2.85Å; T148-Y163 PolarHBondContact OG1-OH 2.93Å; T148-Y163 VanDerWaalsContact OG1-OH 3.11Å
149	L	88.3	Confident	91.3	Very high	47 Å²	47	26.4 Å²	26.4	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-34.6	176.4	-74.7	-176.8	0	0	0	112.7	A125 E126 Y129 Q145 L146 V151	A125-L149 HydrophobicContact CB-CD1 3.79Å; A125-L149 HydrophobicContact CB-CD2 4.04Å; E126-L149 HydrophobicContact CB-CD1 4.48Å; Y129-L149 HydrophobicContact CD2-CD1 3.46Å; Y129-L149 VanDerWaalsContact CD2-CD1 3.46Å; Y129-L149 HydrophobicContact CD2-CG 4.36Å; Y129-L149 HydrophobicContact CE2-CD1 3.66Å; Y129-L149 HydrophobicContact CE2-CG 4.13Å; Q145-L149 PolarHBondContact O-N 2.75Å; L146-L149 PolarHBondContact O-N 3.32Å; L149-V151 VanDerWaalsContact C-N 3.34Å
150	Y	89.7	Confident	91.7	Very high	38 Å²	38	25.9 Å²	25.9	15%	0.149	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	1.7	-176.4	-84.7	-79.8	0	0	0	114.4	E126 L146 G147 T148 G152 V153 E158 S159 Y162	E126-Y150 PolarHBondContact OE1-OH 3.32Å; E126-Y150 PolarHBondContact OE2-OH 3.48Å; L146-Y150 WeakPolarHBondContact O-CD2 3.31Å; L146-Y150 PolarHBondContact O-N 2.94Å; G147-Y150 PolarHBondContact O-N 3.47Å; T148-Y150 PolarHBondContact O-N 2.93Å; Y150-G152 PolarHBondContact O-N 3.36Å; Y150-V153 HydrophobicContact CD1-CB 4.14Å; Y150-V153 HydrophobicContact CD1-CG1 4.16Å; Y150-V153 HydrophobicContact CD1-CG2 4.39Å; Y150-V153 WeakPolarHBondContact O-CB 3.45Å; Y150-V153 PolarHBondContact O-N 3.39Å; Y150-E158 HydrophobicContact CD1-CB 3.61Å; Y150-E158 HydrophobicContact CD1-CG 3.96Å; Y150-E158 HydrophobicContact CD2-CB 4.34Å; Y150-E158 HydrophobicContact CE1-CB 4.21Å; Y150-E158 HydrophobicContact CE1-CG 4.13Å; Y150-E158 HydrophobicContact CG-CB 3.67Å; Y150-E158 HydrophobicContact CG-CG 4.47Å; Y150-S159 PolarHBondContact O-OG 3.04Å; Y150-S159 VanDerWaalsContact O-OG 3.1Å; Y150-Y162 AromaticContact CD2-CD2 3.92Å; Y150-Y162 HydrophobicContact CD2-CD2 3.92Å; Y150-Y162 AromaticContact CD2-CE2 3.49Å; Y150-Y162 HydrophobicContact CD2-CE2 3.49Å; Y150-Y162 VanDerWaalsContact CD2-CE2 3.49Å; Y150-Y162 HydrophobicContact CE2-CD2 4.46Å; Y150-Y162 AromaticContact CE2-CE2 3.6Å; Y150-Y162 HydrophobicContact CE2-CE2 3.6Å; Y150-Y162 HydrophobicContact CG-CE2 4.31Å
151	V	90.1	Very high	91.8	Very high	74 Å²	74	26 Å²	26	45%	0.448	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	129.7	179.4	174.3	0	0	0	0	109.8	T148 L149 V153 S159	T148-V151 WeakPolarHBondContact O-CG2 3.23Å; T148-V151 PolarHBondContact O-N 3.32Å; L149-V151 VanDerWaalsContact C-N 3.34Å; V151-V153 VanDerWaalsContact C-N 3.33Å; V151-S159 WeakPolarHBondContact CA-OG 3.41Å; V151-S159 PolarHBondContact N-OG 3.3Å
152	G	84.5	Confident	91.9	Very high	64 Å²	64	23.6 Å²	23.6	66%	0.66	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.9	-15.3	-175.5	0	0	0	0	0	114.2	Y150 N156	Y150-G152 PolarHBondContact O-N 3.36Å; G152-N156 PolarHBondContact N-OD1 3.3Å
153	V	83.1	Confident	92.2	Very high	67 Å²	67	24 Å²	24	41%	0.406	15%	0.146	S	C	.	.	S	Bend	trans	-86.1	137.3	-178.8	-177.2	0	0	0	0	110.4	Y150 V151 C155 N156	Y150-V153 HydrophobicContact CD1-CB 4.14Å; Y150-V153 HydrophobicContact CD1-CG1 4.16Å; Y150-V153 HydrophobicContact CD1-CG2 4.39Å; Y150-V153 WeakPolarHBondContact O-CB 3.45Å; Y150-V153 PolarHBondContact O-N 3.39Å; V151-V153 VanDerWaalsContact C-N 3.33Å; V153-C155 VanDerWaalsContact C-N 3.28Å; V153-C155 PolarHBondContact O-N 3.03Å; V153-C155 VanDerWaalsContact O-N 3.08Å; V153-N156 WeakPolarHBondContact O-CA 3.36Å; V153-N156 PolarHBondContact O-N 3.46Å
154	N	81.4	Confident	92.3	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.064	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	45.2	48.4	170.4	-170.6	26.4	0	0	0	113.9	N156 L157 E158 V265 T271	N154-N156 PolarHBondContact O-N 3.42Å; N154-L157 WeakPolarHBondContact O-CB 3.38Å; N154-L157 PolarHBondContact O-N 3.01Å; N154-E158 WeakPolarHBondContact CB-OE2 3.37Å; N154-E158 PolarHBondContact ND2-OE1 3.07Å; N154-V265 WeakPolarHBondContact OD1-CG1 3.36Å; N154-T271 PolarHBondContact ND2-OG1 2.75Å
155	C	89.5	Confident	92.3	Very high	23 Å²	23	23.8 Å²	23.8	16%	0.155	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	58.9	25.9	-177.4	-52.9	0	0	0	0	115.2	V153 L157 V215 L216 L219	V153-C155 VanDerWaalsContact C-N 3.28Å; V153-C155 PolarHBondContact O-N 3.03Å; V153-C155 VanDerWaalsContact O-N 3.08Å; C155-L157 VanDerWaalsContact C-N 3.31Å; C155-V215 HydrophobicContact CB-CB 4.38Å; C155-V215 HydrophobicContact CB-CG1 3.75Å; C155-L216 HydrophobicContact CB-CD2 3.86Å; C155-L216 HydrophobicContact CB-CG 4.38Å; C155-L219 WeakPolarHBondContact O-CD1 2.92Å
156	N	93.7	Very high	92.4	Very high	31 Å²	31	21.7 Å²	21.7	17%	0.166	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	66.7	20.8	-175.9	-51	-61.4	0	0	0	115	G152 V153 N154 E158 S159 V160 L183	G152-N156 PolarHBondContact N-OD1 3.3Å; V153-N156 WeakPolarHBondContact O-CA 3.36Å; V153-N156 PolarHBondContact O-N 3.46Å; N154-N156 PolarHBondContact O-N 3.42Å; N156-E158 PolarHBondContact O-N 3.44Å; N156-S159 PolarHBondContact O-N 3.01Å; N156-V160 WeakPolarHBondContact O-CG2 3.48Å; N156-V160 PolarHBondContact O-N 3.08Å; N156-L183 HydrophobicContact CB-CD1 4.07Å; N156-L183 HydrophobicContact CB-CD2 4.27Å
157	L	94.5	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-47	-178.5	175.4	60.2	0	0	0	112.1	N154 C155 V160 Y161 V215 L219 T271 K274 V275 L278	N154-L157 WeakPolarHBondContact O-CB 3.38Å; N154-L157 PolarHBondContact O-N 3.01Å; C155-L157 VanDerWaalsContact C-N 3.31Å; L157-V160 PolarHBondContact O-N 3Å; L157-Y161 WeakPolarHBondContact O-CB 3.47Å; L157-Y161 PolarHBondContact O-N 2.92Å; L157-V215 HydrophobicContact CB-CG1 3.86Å; L157-V215 HydrophobicContact CD2-CG1 4.19Å; L157-V215 HydrophobicContact CG-CG1 4.44Å; L157-L219 HydrophobicContact CD1-CD2 3.84Å; L157-L219 HydrophobicContact CD1-CG 4.45Å; L157-T271 HydrophobicContact CD2-CG2 4.12Å; L157-K274 HydrophobicContact CD2-CB 3.75Å; L157-K274 HydrophobicContact CG-CB 4.28Å; L157-V275 HydrophobicContact CD1-CG2 4.12Å; L157-V275 HydrophobicContact CD2-CG2 3.83Å; L157-L278 HydrophobicContact CD1-CD2 4.11Å
158	E	91.8	Very high	92.5	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-40.5	-179.2	-66.9	80.4	174.8	0	0	110.7	Y150 N154 N156 V160 Y161 Y162 K274	Y150-E158 HydrophobicContact CD1-CB 3.61Å; Y150-E158 HydrophobicContact CD1-CG 3.96Å; Y150-E158 HydrophobicContact CD2-CB 4.34Å; Y150-E158 HydrophobicContact CE1-CB 4.21Å; Y150-E158 HydrophobicContact CE1-CG 4.13Å; Y150-E158 HydrophobicContact CG-CB 3.67Å; Y150-E158 HydrophobicContact CG-CG 4.47Å; N154-E158 WeakPolarHBondContact CB-OE2 3.37Å; N154-E158 PolarHBondContact ND2-OE1 3.07Å; N156-E158 PolarHBondContact O-N 3.44Å; E158-V160 PolarHBondContact O-N 2.72Å; E158-Y161 WeakPolarHBondContact O-CB 3.48Å; E158-Y161 PolarHBondContact O-N 3.18Å; E158-Y162 HydrophobicContact CB-CD2 4.36Å; E158-Y162 HydrophobicContact CB-CE2 4.24Å; E158-Y162 WeakPolarHBondContact O-CD2 3.26Å; E158-Y162 PolarHBondContact O-N 3.04Å; E158-K274 HydrophobicContact CG-CD 3.93Å; E158-K274 WeakPolarHBondContact OE1-CD 3.32Å; E158-K274 WeakPolarHBondContact OE1-CE 3.23Å; E158-K274 IonicContact OE1-NZ 3.83Å; E158-K274 PolarHBondContact OE1-NZ 2.93Å
159	S	96.4	Very high	92.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.4	-49	173	-62.7	0	0	0	0	111.9	G147 Y150 V151 N156 Y161 Y162 Y163 L183	G147-S159 VanDerWaalsContact O-CB 3.26Å; G147-S159 WeakPolarHBondContact O-CB 3.34Å; G147-S159 PolarHBondContact O-OG 3.26Å; Y150-S159 PolarHBondContact O-OG 3.04Å; Y150-S159 VanDerWaalsContact O-OG 3.1Å; V151-S159 WeakPolarHBondContact CA-OG 3.41Å; V151-S159 PolarHBondContact N-OG 3.3Å; N156-S159 PolarHBondContact O-N 3.01Å; S159-Y161 VanDerWaalsContact C-N 3.32Å; S159-Y161 PolarHBondContact O-N 2.97Å; S159-Y162 PolarHBondContact O-N 3.16Å; S159-Y163 WeakPolarHBondContact O-CB 3.39Å; S159-Y163 WeakPolarHBondContact O-CD2 3.31Å; S159-Y163 PolarHBondContact O-N 3.35Å; S159-L183 VanDerWaalsContact CB-CD1 3.49Å
160	V	98.1	Very high	92.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-45.1	176.6	164.8	0	0	0	0	110.8	N156 L157 E158 F164 L180 L183 L184 L219 F222 L278	N156-V160 WeakPolarHBondContact O-CG2 3.48Å; N156-V160 PolarHBondContact O-N 3.08Å; L157-V160 PolarHBondContact O-N 3Å; E158-V160 PolarHBondContact O-N 2.72Å; V160-F164 VanDerWaalsContact O-CB 3.26Å; V160-F164 WeakPolarHBondContact O-CB 3.32Å; V160-F164 PolarHBondContact O-N 2.89Å; V160-L180 HydrophobicContact CB-CD1 4.13Å; V160-L180 HydrophobicContact CG1-CD1 3.66Å; V160-L180 HydrophobicContact CG2-CD1 4.12Å; V160-L183 HydrophobicContact CG2-CB 4.25Å; V160-L183 HydrophobicContact CG2-CD1 4.36Å; V160-L184 HydrophobicContact CG1-CD2 4.36Å; V160-L184 HydrophobicContact CG2-CD2 4.08Å; V160-L219 HydrophobicContact CB-CD2 3.86Å; V160-L219 HydrophobicContact CG1-CD2 3.7Å; V160-L219 HydrophobicContact CG2-CD1 4.43Å; V160-L219 HydrophobicContact CG2-CD2 3.99Å; V160-F222 HydrophobicContact CG1-CD1 4.16Å; V160-F222 HydrophobicContact CG1-CE1 4.15Å; V160-L278 HydrophobicContact CG1-CD1 4.01Å; V160-L278 HydrophobicContact CG1-CD2 3.86Å
161	Y	96.1	Very high	92.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-49.7	176.2	172.4	-99.3	0	0	0	112.6	L157 E158 S159 F164 R165 L278 Y492	L157-Y161 WeakPolarHBondContact O-CB 3.47Å; L157-Y161 PolarHBondContact O-N 2.92Å; E158-Y161 WeakPolarHBondContact O-CB 3.48Å; E158-Y161 PolarHBondContact O-N 3.18Å; S159-Y161 VanDerWaalsContact C-N 3.32Å; S159-Y161 PolarHBondContact O-N 2.97Å; Y161-F164 PolarHBondContact O-N 3.15Å; Y161-R165 HydrophobicContact CD1-CG 4.23Å; Y161-R165 HydrophobicContact CD2-CG 4.45Å; Y161-R165 HydrophobicContact CE1-CG 3.87Å; Y161-R165 HydrophobicContact CE2-CG 4.09Å; Y161-R165 WeakPolarHBondContact O-CG 3.41Å; Y161-R165 PolarHBondContact O-N 3.46Å; Y161-R165 PolarHBondContact OH-NH1 3.44Å; Y161-L278 HydrophobicContact CD2-CB 4.26Å; Y161-Y492 WeakPolarHBondContact CD1-OH 3.44Å; Y161-Y492 HydrophobicContact CE1-CE1 4.01Å; Y161-Y492 HydrophobicContact CE1-CE2 4.04Å; Y161-Y492 AromaticContact CE1-CZ 3.43Å; Y161-Y492 VanDerWaalsContact CE1-CZ 3.43Å; Y161-Y492 WeakPolarHBondContact CE1-OH 3.21Å; Y161-Y492 AromaticContact CZ-CE1 3.93Å; Y161-Y492 AromaticContact CZ-CZ 3.85Å
162	Y	95.9	Very high	93	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-39.8	-177.6	-73.2	-54.1	0	0	0	112.9	Y143 L146 Y150 E158 S159 F164 R165 C166 Y492	Y143-Y162 WeakPolarHBondContact CB-O 3.37Å; Y143-Y162 AromaticContact CD1-CD1 3.81Å; Y143-Y162 HydrophobicContact CD1-CD1 3.81Å; Y143-Y162 HydrophobicContact CD1-CE1 4.34Å; Y143-Y162 HydrophobicContact CE1-CD1 4.41Å; Y143-Y162 WeakPolarHBondContact O-CB 3.42Å; L146-Y162 HydrophobicContact CB-CD1 3.99Å; L146-Y162 HydrophobicContact CB-CD2 3.83Å; L146-Y162 HydrophobicContact CB-CE1 4.16Å; L146-Y162 HydrophobicContact CB-CE2 4.06Å; L146-Y162 HydrophobicContact CB-CG 3.8Å; L146-Y162 HydrophobicContact CD1-CD1 4.2Å; L146-Y162 HydrophobicContact CD1-CE1 3.85Å; Y150-Y162 AromaticContact CD2-CD2 3.92Å; Y150-Y162 HydrophobicContact CD2-CD2 3.92Å; Y150-Y162 AromaticContact CD2-CE2 3.49Å; Y150-Y162 HydrophobicContact CD2-CE2 3.49Å; Y150-Y162 VanDerWaalsContact CD2-CE2 3.49Å; Y150-Y162 HydrophobicContact CE2-CD2 4.46Å; Y150-Y162 AromaticContact CE2-CE2 3.6Å; Y150-Y162 HydrophobicContact CE2-CE2 3.6Å; Y150-Y162 HydrophobicContact CG-CE2 4.31Å; E158-Y162 HydrophobicContact CB-CD2 4.36Å; E158-Y162 HydrophobicContact CB-CE2 4.24Å; E158-Y162 WeakPolarHBondContact O-CD2 3.26Å; E158-Y162 PolarHBondContact O-N 3.04Å; S159-Y162 PolarHBondContact O-N 3.16Å; Y162-F164 VanDerWaalsContact C-N 3.27Å; Y162-F164 PolarHBondContact O-N 2.99Å; Y162-R165 WeakPolarHBondContact O-CB 3.48Å; Y162-R165 PolarHBondContact O-N 2.93Å; Y162-C166 PolarHBondContact O-N 3.41Å; Y162-Y492 HydrophobicContact CE1-CE2 4.41Å
163	Y	98.3	Very high	93.5	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-38.6	172.7	-67.2	-43.4	0	0	0	111.8	N144 T148 S159 C166 I167 S176 N179 L183	N144-Y163 VanDerWaalsContact O-CE1 3.3Å; N144-Y163 WeakPolarHBondContact O-CE1 3.43Å; N144-Y163 WeakPolarHBondContact OD1-CE1 3.49Å; T148-Y163 VanDerWaalsContact CA-OH 3.3Å; T148-Y163 WeakPolarHBondContact CA-OH 3.42Å; T148-Y163 PolarHBondContact N-OH 2.85Å; T148-Y163 PolarHBondContact OG1-OH 2.93Å; T148-Y163 VanDerWaalsContact OG1-OH 3.11Å; S159-Y163 WeakPolarHBondContact O-CB 3.39Å; S159-Y163 WeakPolarHBondContact O-CD2 3.31Å; S159-Y163 PolarHBondContact O-N 3.35Å; Y163-C166 WeakPolarHBondContact O-CB 3.08Å; Y163-C166 PolarHBondContact O-N 2.96Å; Y163-I167 VanDerWaalsContact O-CG1 3.31Å; Y163-I167 WeakPolarHBondContact O-CG1 3.46Å; Y163-I167 PolarHBondContact O-N 3.43Å; Y163-I167 VanDerWaalsContact O-N 3.14Å; Y163-S176 WeakPolarHBondContact CA-OG 3.34Å; Y163-S176 WeakPolarHBondContact CB-OG 3.33Å; Y163-S176 PolarHBondContact O-OG 2.95Å; Y163-N179 HydrophobicContact CD1-CB 4.06Å; Y163-N179 HydrophobicContact CD2-CB 3.96Å; Y163-N179 HydrophobicContact CE1-CB 3.84Å; Y163-N179 HydrophobicContact CE2-CB 3.71Å; Y163-N179 HydrophobicContact CG-CB 4.15Å; Y163-L183 HydrophobicContact CD2-CD1 3.9Å; Y163-L183 HydrophobicContact CE2-CD1 3.59Å
164	F	97.6	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-35.4	176	-170.2	-123.4	0	0	0	112.8	V160 Y161 Y162 I167 C168 L180 F222 Y226 L278 L281 L282 W285	V160-F164 VanDerWaalsContact O-CB 3.26Å; V160-F164 WeakPolarHBondContact O-CB 3.32Å; V160-F164 PolarHBondContact O-N 2.89Å; Y161-F164 PolarHBondContact O-N 3.15Å; Y162-F164 VanDerWaalsContact C-N 3.27Å; Y162-F164 PolarHBondContact O-N 2.99Å; F164-I167 HydrophobicContact CD2-CD1 4.46Å; F164-I167 PolarHBondContact O-N 3.08Å; F164-C168 PolarHBondContact O-N 3.47Å; F164-C168 PolarHBondContact O-SG 3.4Å; F164-L180 HydrophobicContact CB-CD2 4.45Å; F164-L180 HydrophobicContact CD2-CD2 4.21Å; F164-F222 HydrophobicContact CB-CZ 4.07Å; F164-F222 AromaticContact CD1-CE2 3.65Å; F164-F222 HydrophobicContact CD1-CE2 3.65Å; F164-F222 AromaticContact CD1-CZ 3.81Å; F164-F222 HydrophobicContact CD1-CZ 3.81Å; F164-F222 HydrophobicContact CD2-CE2 4.29Å; F164-F222 AromaticContact CD2-CZ 3.67Å; F164-F222 HydrophobicContact CD2-CZ 3.67Å; F164-F222 AromaticContact CE1-CE2 3.8Å; F164-F222 HydrophobicContact CE1-CE2 3.8Å; F164-F222 HydrophobicContact CE1-CZ 4.16Å; F164-F222 HydrophobicContact CE2-CE2 4.4Å; F164-F222 HydrophobicContact CE2-CZ 4.01Å; F164-F222 AromaticContact CG-CE2 3.93Å; F164-F222 HydrophobicContact CG-CE2 3.93Å; F164-F222 AromaticContact CG-CZ 3.57Å; F164-F222 HydrophobicContact CG-CZ 3.57Å; F164-F222 HydrophobicContact CZ-CE2 4.18Å; F164-F222 HydrophobicContact CZ-CZ 4.25Å; F164-Y226 HydrophobicContact CD2-CD2 4.45Å; F164-Y226 HydrophobicContact CD2-CE2 4.25Å; F164-Y226 AromaticContact CE2-CD2 3.81Å; F164-Y226 HydrophobicContact CE2-CD2 3.81Å; F164-Y226 AromaticContact CE2-CE2 3.75Å; F164-Y226 HydrophobicContact CE2-CE2 3.75Å; F164-L278 HydrophobicContact CB-CD1 4.32Å; F164-L278 HydrophobicContact CD1-CD1 4.04Å; F164-L281 HydrophobicContact CD1-CB 4.44Å; F164-L281 HydrophobicContact CD1-CD2 3.59Å; F164-L281 HydrophobicContact CD1-CG 3.94Å; F164-L281 HydrophobicContact CE1-CB 4.22Å; F164-L281 HydrophobicContact CE1-CD2 3.95Å; F164-L281 HydrophobicContact CE1-CG 3.76Å; F164-L281 HydrophobicContact CG-CD2 4.49Å; F164-L282 HydrophobicContact CE1-CB 4Å; F164-L282 HydrophobicContact CE1-CD1 4.34Å; F164-L282 HydrophobicContact CZ-CB 4.37Å; F164-L282 HydrophobicContact CZ-CD1 3.9Å; F164-W285 HydrophobicContact CE1-CB 4.47Å; F164-W285 HydrophobicContact CE2-CD2 4.42Å; F164-W285 HydrophobicContact CE2-CG 4.18Å; F164-W285 HydrophobicContact CZ-CB 3.7Å; F164-W285 HydrophobicContact CZ-CD2 4.27Å; F164-W285 AromaticContact CZ-CG 3.77Å; F164-W285 HydrophobicContact CZ-CG 3.77Å
165	R	94.7	Very high	94.4	Very high	6 Å²	6	34 Å²	34	2%	0.023	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-46.6	169.5	-76.7	-68.9	-70	-94.4	10	111.5	Y143 Y161 Y162 I167 C168 S169 L281 Y494 D495	Y143-R165 HydrophobicContact CD1-CB 3.85Å; Y143-R165 HydrophobicContact CD1-CG 4.48Å; Y143-R165 HydrophobicContact CD2-CB 4.12Å; Y143-R165 HydrophobicContact CE1-CB 4.14Å; Y143-R165 HydrophobicContact CE1-CG 4.42Å; Y143-R165 HydrophobicContact CE2-CB 4.43Å; Y143-R165 HydrophobicContact CG-CB 3.82Å; Y143-R165 PolarHBondContact OH-NH2 3.29Å; Y161-R165 HydrophobicContact CD1-CG 4.23Å; Y161-R165 HydrophobicContact CD2-CG 4.45Å; Y161-R165 HydrophobicContact CE1-CG 3.87Å; Y161-R165 HydrophobicContact CE2-CG 4.09Å; Y161-R165 WeakPolarHBondContact O-CG 3.41Å; Y161-R165 PolarHBondContact O-N 3.46Å; Y161-R165 PolarHBondContact OH-NH1 3.44Å; Y162-R165 WeakPolarHBondContact O-CB 3.48Å; Y162-R165 PolarHBondContact O-N 2.93Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 3.29Å; R165-C168 CarbonylContact O-C 3.53Å; R165-C168 PolarHBondContact O-N 3.33Å; R165-S169 PolarHBondContact O-N 3.5Å; R165-S169 PolarHBondContact O-OG 2.84Å; R165-L281 HydrophobicContact CG-CD2 3.8Å; R165-Y494 VanDerWaalsContact NH2-CE1 3.34Å; R165-D495 IonicContact CZ-OD2 3.64Å; R165-D495 IonicContact NE-OD2 3.52Å; R165-D495 IonicContact NH2-OD2 3.23Å; R165-D495 PolarHBondContact NH2-OD2 3.05Å
166	C	97	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-43	175.3	175.9	0	0	0	0	112.5	G140 N144 Y162 Y163 C168 S169 S172 S176	G140-C166 VanDerWaalsContact C-SG 3.56Å; G140-C166 WeakPolarHBondContact O-CB 3.36Å; G140-C166 PolarHBondContact O-SG 3.12Å; N144-C166 HydrophobicContact CB-CB 4.43Å; Y162-C166 PolarHBondContact O-N 3.41Å; Y163-C166 WeakPolarHBondContact O-CB 3.08Å; Y163-C166 PolarHBondContact O-N 2.96Å; C166-C168 VanDerWaalsContact C-N 3.28Å; C166-C168 PolarHBondContact O-N 3.01Å; C166-S169 WeakPolarHBondContact O-CB 3.46Å; C166-S169 PolarHBondContact O-N 3.46Å; C166-S172 WeakPolarHBondContact O-CA 3.37Å; C166-S172 WeakPolarHBondContact O-CB 3.45Å; C166-S176 WeakPolarHBondContact CB-OG 3.49Å; C166-S176 WeakPolarHBondContact SG-CB 3.32Å
167	I	96	Very high	94.9	Very high	34 Å²	34	36.1 Å²	36.1	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-33.8	177.6	-66.2	163.6	0	0	0	111.4	Y163 F164 R165 E177 L180	Y163-I167 VanDerWaalsContact O-CG1 3.31Å; Y163-I167 WeakPolarHBondContact O-CG1 3.46Å; Y163-I167 PolarHBondContact O-N 3.43Å; Y163-I167 VanDerWaalsContact O-N 3.14Å; F164-I167 HydrophobicContact CD2-CD1 4.46Å; F164-I167 PolarHBondContact O-N 3.08Å; R165-I167 VanDerWaalsContact C-N 3.3Å; R165-I167 PolarHBondContact O-N 3.29Å; I167-E177 HydrophobicContact CD1-CB 3.99Å; I167-E177 HydrophobicContact CD1-CG 4.47Å; I167-E177 HydrophobicContact CG1-CB 4.45Å; I167-L180 HydrophobicContact CD1-CB 4.42Å; I167-L180 HydrophobicContact CD1-CD2 3.56Å
168	C	93.6	Very high	95	Very high	48 Å²	48	39.3 Å²	39.3	32%	0.324	22%	0.223	S	C	.	.	H	α-helix	trans	-83.9	-12.9	179.8	-63.9	0	0	0	0	114	F164 R165 C166 L281	F164-C168 PolarHBondContact O-N 3.47Å; F164-C168 PolarHBondContact O-SG 3.4Å; R165-C168 CarbonylContact O-C 3.53Å; R165-C168 PolarHBondContact O-N 3.33Å; C166-C168 VanDerWaalsContact C-N 3.28Å; C166-C168 PolarHBondContact O-N 3.01Å; C168-L281 HydrophobicContact CB-CD1 4.29Å
169	S	92.5	Very high	95.2	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.14	24%	0.236	C	C	.	.	S	Bend	trans	-67	151.5	179.8	-62.7	0	0	0	0	112.5	Y143 R165 C166 E171 S172	Y143-S169 WeakPolarHBondContact CD2-OG 3.25Å; R165-S169 PolarHBondContact O-N 3.5Å; R165-S169 PolarHBondContact O-OG 2.84Å; C166-S169 WeakPolarHBondContact O-CB 3.46Å; C166-S169 PolarHBondContact O-N 3.46Å; S169-E171 VanDerWaalsContact C-N 3.3Å; S169-E171 PolarHBondContact O-N 2.82Å; S169-S172 PolarHBondContact O-N 3.29Å
170	E	91	Very high	95.3	Very high	145 Å²	145	41.6 Å²	41.6	68%	0.678	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-44.3	173.8	-68.3	-179.4	-150.3	0	0	111.3	K138 S172	K138-E170 HydrophobicContact CB-CB 4.45Å; K138-E170 WeakPolarHBondContact CD-OE2 3.36Å; K138-E170 WeakPolarHBondContact CE-OE1 3.32Å; K138-E170 WeakPolarHBondContact CE-OE2 3.35Å; K138-E170 VanDerWaalsContact NZ-CD 3.31Å; K138-E170 IonicContact NZ-OE1 2.77Å; K138-E170 PolarHBondContact NZ-OE1 2.69Å; K138-E170 IonicContact NZ-OE2 3.53Å; K138-E170 PolarHBondContact NZ-OE2 3.43Å; E170-S172 PolarHBondContact O-N 3.39Å
171	E	93.1	Very high	95.2	Very high	88 Å²	88	44.3 Å²	44.3	41%	0.411	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-98.3	67.3	173.7	-56	175.5	172.5	0	0	110.4	K136 K138 S139 G140 S169	K136-E171 WeakPolarHBondContact CE-OE1 3.36Å; K136-E171 WeakPolarHBondContact CE-OE2 3.41Å; K136-E171 IonicContact NZ-OE1 3.12Å; K138-E171 WeakPolarHBondContact O-CB 3.43Å; K138-E171 PolarHBondContact O-N 2.79Å; K138-E171 VanDerWaalsContact O-N 3.17Å; S139-E171 WeakPolarHBondContact CA-OE2 3.35Å; S139-E171 WeakPolarHBondContact CB-OE2 3.41Å; S139-E171 PolarHBondContact OG-OE2 2.95Å; G140-E171 WeakPolarHBondContact CA-O 3.34Å; G140-E171 PolarHBondContact N-O 2.78Å; S169-E171 VanDerWaalsContact C-N 3.3Å; S169-E171 PolarHBondContact O-N 2.82Å
172	S	94.7	Very high	95.2	Very high	75 Å²	75	48.5 Å²	48.5	52%	0.524	27%	0.272	S	S	.	.			trans	-63.7	151	179.7	68.2	0	0	0	0	113.5	C166 S169 E170	C166-S172 WeakPolarHBondContact O-CA 3.37Å; C166-S172 WeakPolarHBondContact O-CB 3.45Å; S169-S172 PolarHBondContact O-N 3.29Å; E170-S172 PolarHBondContact O-N 3.39Å
173	F	94.5	Very high	95.3	Very high	83 Å²	83	49 Å²	49	36%	0.364	28%	0.276	S	S	.	.			trans	-111	118.7	174.3	174.1	-112.8	0	0	0	111.2	N144 G175 S176	N144-F173 HydrophobicContact CB-CD1 4.25Å; F173-G175 PolarHBondContact O-N 3.44Å; F173-G175 VanDerWaalsContact O-N 3.11Å; F173-S176 VanDerWaalsContact O-CB 3.27Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 2.9Å
174	S	91.2	Very high	95.2	Very high	111 Å²	111	48.6 Å²	48.6	78%	0.776	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.1	-174	59.3	0	0	0	0	115.3	S176	S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 3.1Å
175	G	93.3	Very high	95	Very high	23 Å²	23	53.9 Å²	53.9	24%	0.237	30%	0.299	C	S	.	.	H	α-helix	trans	-70.9	-19.3	177.6	0	0	0	0	0	114.3	F173 E177 S178 N179	F173-G175 PolarHBondContact O-N 3.44Å; F173-G175 VanDerWaalsContact O-N 3.11Å; G175-E177 VanDerWaalsContact C-N 3.35Å; G175-E177 PolarHBondContact O-N 3.42Å; G175-S178 PolarHBondContact O-N 3.04Å; G175-N179 PolarHBondContact O-N 2.72Å
176	S	96.8	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-34.9	-175.1	-167.7	0	0	0	0	113	Y163 C166 F173 S174 S178 N179 L180	Y163-S176 WeakPolarHBondContact CA-OG 3.34Å; Y163-S176 WeakPolarHBondContact CB-OG 3.33Å; Y163-S176 PolarHBondContact O-OG 2.95Å; C166-S176 WeakPolarHBondContact CB-OG 3.49Å; C166-S176 WeakPolarHBondContact SG-CB 3.32Å; F173-S176 VanDerWaalsContact O-CB 3.27Å; F173-S176 WeakPolarHBondContact O-CB 3.46Å; F173-S176 PolarHBondContact O-N 2.9Å; S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 3.1Å; S176-S178 VanDerWaalsContact C-N 3.35Å; S176-S178 PolarHBondContact O-N 3.23Å; S176-N179 PolarHBondContact O-N 3.06Å; S176-L180 WeakPolarHBondContact O-CB 3.42Å; S176-L180 PolarHBondContact O-N 2.71Å
177	E	96.1	Very high	94.8	Very high	98 Å²	98	58.2 Å²	58.2	46%	0.458	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-37.5	178.7	-175.3	169.7	-153.5	0	0	112	I167 G175 L180 L181 Y226	I167-E177 HydrophobicContact CD1-CB 3.99Å; I167-E177 HydrophobicContact CD1-CG 4.47Å; I167-E177 HydrophobicContact CG1-CB 4.45Å; G175-E177 VanDerWaalsContact C-N 3.35Å; G175-E177 PolarHBondContact O-N 3.42Å; E177-L180 PolarHBondContact O-N 3.21Å; E177-L181 HydrophobicContact CG-CD1 4.16Å; E177-L181 VanDerWaalsContact O-CG 3.29Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 2.95Å; E177-Y226 WeakPolarHBondContact CG-OH 3.48Å; E177-Y226 PolarHBondContact OE1-OH 3.41Å
178	S	96.6	Very high	94.6	Very high	67 Å²	67	58.6 Å²	58.6	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-49.4	174.5	-166.5	0	0	0	0	111	G175 S176 L180 L181 D182	G175-S178 PolarHBondContact O-N 3.04Å; S176-S178 VanDerWaalsContact C-N 3.35Å; S176-S178 PolarHBondContact O-N 3.23Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.42Å; S178-L181 PolarHBondContact O-N 2.93Å; S178-D182 VanDerWaalsContact O-CG 3.3Å; S178-D182 PolarHBondContact O-N 3.34Å
179	N	96.7	Very high	94.5	Very high	53 Å²	53	59.9 Å²	59.9	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-59	-41.7	178.9	-64.8	-25	0	0	0	111.6	N144 Y163 G175 S176 L183	N144-N179 PolarHBondContact OD1-ND2 2.89Å; Y163-N179 HydrophobicContact CD1-CB 4.06Å; Y163-N179 HydrophobicContact CD2-CB 3.96Å; Y163-N179 HydrophobicContact CE1-CB 3.84Å; Y163-N179 HydrophobicContact CE2-CB 3.71Å; Y163-N179 HydrophobicContact CG-CB 4.15Å; G175-N179 PolarHBondContact O-N 2.72Å; S176-N179 PolarHBondContact O-N 3.06Å; N179-L183 WeakPolarHBondContact O-CG 3.45Å; N179-L183 PolarHBondContact O-N 2.93Å
180	L	98	Very high	94.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-51.5	175.6	175.2	62.8	0	0	0	111.6	V160 F164 I167 S176 E177 S178 D182 L183 L184 F222 Y226	V160-L180 HydrophobicContact CB-CD1 4.13Å; V160-L180 HydrophobicContact CG1-CD1 3.66Å; V160-L180 HydrophobicContact CG2-CD1 4.12Å; F164-L180 HydrophobicContact CB-CD2 4.45Å; F164-L180 HydrophobicContact CD2-CD2 4.21Å; I167-L180 HydrophobicContact CD1-CB 4.42Å; I167-L180 HydrophobicContact CD1-CD2 3.56Å; S176-L180 WeakPolarHBondContact O-CB 3.42Å; S176-L180 PolarHBondContact O-N 2.71Å; E177-L180 PolarHBondContact O-N 3.21Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.42Å; L180-D182 PolarHBondContact O-N 3.12Å; L180-L183 PolarHBondContact O-N 3.18Å; L180-L184 HydrophobicContact CD1-CD1 3.96Å; L180-L184 HydrophobicContact CD1-CG 4.22Å; L180-L184 HydrophobicContact CG-CD1 3.98Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.06Å; L180-F222 HydrophobicContact CD1-CE1 4.07Å; L180-F222 HydrophobicContact CD2-CE1 4.24Å; L180-F222 HydrophobicContact CD2-CZ 4.46Å; L180-Y226 HydrophobicContact CD2-CD1 4.16Å; L180-Y226 HydrophobicContact CD2-CE1 3.64Å
181	L	96	Very high	94.4	Very high	56 Å²	56	54.2 Å²	54.2	29%	0.293	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-37.4	-176.3	-68.9	173.9	0	0	0	112.4	E177 S178 L183 L184 Q185 Y226 E227	E177-L181 HydrophobicContact CG-CD1 4.16Å; E177-L181 VanDerWaalsContact O-CG 3.29Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 2.95Å; S178-L181 PolarHBondContact O-N 2.93Å; L181-L183 PolarHBondContact O-N 3.13Å; L181-L184 PolarHBondContact O-N 3.04Å; L181-Q185 PolarHBondContact O-N 3.43Å; L181-Y226 HydrophobicContact CD2-CD1 4.38Å; L181-Y226 HydrophobicContact CD2-CE1 4.13Å; L181-E227 HydrophobicContact CD2-CG 4.34Å
182	D	96	Very high	94.1	Very high	90 Å²	90	55.2 Å²	55.2	48%	0.481	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-45.7	175.8	-70.6	-24.9	0	0	0	111	S178 L180 Q185 E186	S178-D182 VanDerWaalsContact O-CG 3.3Å; S178-D182 PolarHBondContact O-N 3.34Å; L180-D182 PolarHBondContact O-N 3.12Å; D182-Q185 PolarHBondContact O-N 3.05Å; D182-E186 PolarHBondContact O-N 3.25Å; D182-E186 VanDerWaalsContact O-N 3.11Å
183	L	97.4	Very high	93.7	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-39.7	176.2	-69.3	-177.2	0	0	0	112.8	N156 S159 V160 Y163 N179 L180 L181 Q185 E186 N187	N156-L183 HydrophobicContact CB-CD1 4.07Å; N156-L183 HydrophobicContact CB-CD2 4.27Å; S159-L183 VanDerWaalsContact CB-CD1 3.49Å; V160-L183 HydrophobicContact CG2-CB 4.25Å; V160-L183 HydrophobicContact CG2-CD1 4.36Å; Y163-L183 HydrophobicContact CD2-CD1 3.9Å; Y163-L183 HydrophobicContact CE2-CD1 3.59Å; N179-L183 WeakPolarHBondContact O-CG 3.45Å; N179-L183 PolarHBondContact O-N 2.93Å; L180-L183 PolarHBondContact O-N 3.18Å; L181-L183 PolarHBondContact O-N 3.13Å; L183-Q185 VanDerWaalsContact C-N 3.25Å; L183-Q185 PolarHBondContact O-N 3.42Å; L183-E186 PolarHBondContact O-N 2.87Å; L183-N187 VanDerWaalsContact O-CB 3.23Å; L183-N187 WeakPolarHBondContact O-CB 3.17Å; L183-N187 PolarHBondContact O-N 3.28Å
184	L	96.3	Very high	93.1	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-24.4	177.6	-67	175.6	0	0	0	112.6	V160 L180 L181 E188 L219 F222 R223	V160-L184 HydrophobicContact CG1-CD2 4.36Å; V160-L184 HydrophobicContact CG2-CD2 4.08Å; L180-L184 HydrophobicContact CD1-CD1 3.96Å; L180-L184 HydrophobicContact CD1-CG 4.22Å; L180-L184 HydrophobicContact CG-CD1 3.98Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.06Å; L181-L184 PolarHBondContact O-N 3.04Å; L184-E188 PolarHBondContact O-N 3.45Å; L184-L219 HydrophobicContact CD2-CB 4.27Å; L184-F222 HydrophobicContact CD1-CD1 3.94Å; L184-F222 HydrophobicContact CD1-CE1 3.93Å; L184-F222 HydrophobicContact CD2-CD1 4.06Å; L184-R223 HydrophobicContact CB-CB 4.29Å; L184-R223 HydrophobicContact CB-CG 4.13Å; L184-R223 HydrophobicContact CD1-CB 3.97Å; L184-R223 HydrophobicContact CD1-CG 4.11Å; L184-R223 HydrophobicContact CD2-CB 4.21Å; L184-R223 HydrophobicContact CG-CB 4.38Å; L184-R223 PolarHBondContact O-NH1 3.04Å; L184-R223 VanDerWaalsContact O-NH1 3.07Å
185	Q	93.2	Very high	92.6	Very high	111 Å²	111	52.5 Å²	52.5	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-74.5	-46.5	171.9	-176.7	169.5	-20.1	0	0	112.4	L181 D182 L183 N187 E188 R223	L181-Q185 PolarHBondContact O-N 3.43Å; D182-Q185 PolarHBondContact O-N 3.05Å; L183-Q185 VanDerWaalsContact C-N 3.25Å; L183-Q185 PolarHBondContact O-N 3.42Å; Q185-N187 VanDerWaalsContact C-N 3.25Å; Q185-N187 PolarHBondContact O-N 3.34Å; Q185-E188 PolarHBondContact O-N 2.92Å; Q185-R223 VanDerWaalsContact CA-NH1 3.28Å
186	E	93.8	Very high	91.8	Very high	94 Å²	94	59 Å²	59	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-31.7	174.5	-73	-56.1	129.2	0	0	112.5	D182 L183 L189 S190	D182-E186 PolarHBondContact O-N 3.25Å; D182-E186 VanDerWaalsContact O-N 3.11Å; L183-E186 PolarHBondContact O-N 2.87Å; E186-L189 PolarHBondContact O-N 2.97Å; E186-S190 WeakPolarHBondContact O-CB 3.34Å; E186-S190 PolarHBondContact O-N 2.88Å; E186-S190 PolarHBondContact O-OG 3.17Å
187	N	95.3	Very high	90.6	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-46.9	174.8	177.3	-95.5	0	0	0	112.7	L183 Q185 L189 S190 Y191 L216 L219 R220	L183-N187 VanDerWaalsContact O-CB 3.23Å; L183-N187 WeakPolarHBondContact O-CB 3.17Å; L183-N187 PolarHBondContact O-N 3.28Å; Q185-N187 VanDerWaalsContact C-N 3.25Å; Q185-N187 PolarHBondContact O-N 3.34Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.43Å; N187-S190 WeakPolarHBondContact O-CB 3.33Å; N187-S190 PolarHBondContact O-N 3.45Å; N187-S190 VanDerWaalsContact O-N 3.14Å; N187-Y191 PolarHBondContact O-N 3.48Å; N187-L216 WeakPolarHBondContact ND2-CD2 3.42Å; N187-L216 PolarHBondContact OD1-O 2.77Å; N187-L219 WeakPolarHBondContact ND2-CB 3.41Å; N187-L219 VanDerWaalsContact ND2-CD1 3.34Å; N187-L219 WeakPolarHBondContact ND2-CD1 3.46Å; N187-R220 VanDerWaalsContact OD1-CG 3.32Å; N187-R220 WeakPolarHBondContact OD1-CG 3.36Å
188	E	90.5	Very high	89.3	Confident	41 Å²	41	61.7 Å²	61.7	19%	0.192	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-42.7	179.8	-174.6	70.9	-161.2	0	0	110.7	L184 Q185 Y191 Y192 R220	L184-E188 PolarHBondContact O-N 3.45Å; Q185-E188 PolarHBondContact O-N 2.92Å; E188-Y191 PolarHBondContact O-N 3.41Å; E188-Y192 HydrophobicContact CG-CD2 4.41Å; E188-Y192 HydrophobicContact CG-CE2 3.8Å; E188-Y192 WeakPolarHBondContact O-CD2 3.37Å; E188-Y192 PolarHBondContact O-N 3.32Å; E188-Y192 WeakPolarHBondContact OE1-CE2 3.3Å; E188-Y192 VanDerWaalsContact OE1-CZ 3.23Å; E188-Y192 PolarHBondContact OE1-OH 2.95Å; E188-R220 VanDerWaalsContact CD-NE 3.27Å; E188-R220 IonicContact OE1-CZ 2.72Å; E188-R220 IonicContact OE1-NE 2.76Å; E188-R220 PolarHBondContact OE1-NE 2.89Å; E188-R220 IonicContact OE1-NH2 3.78Å; E188-R220 PolarHBondContact OE1-NH2 2.82Å; E188-R220 WeakPolarHBondContact OE2-CD 3.29Å; E188-R220 VanDerWaalsContact OE2-CG 3.27Å; E188-R220 WeakPolarHBondContact OE2-CG 3.44Å; E188-R220 IonicContact OE2-CZ 3.49Å; E188-R220 IonicContact OE2-NE 2.92Å; E188-R220 PolarHBondContact OE2-NE 3.18Å; E188-R220 IonicContact OE2-NH2 2.77Å
189	L	91.3	Very high	87.9	Confident	76 Å²	76	61.4 Å²	61.4	40%	0.398	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.6	-63.8	177	0	0	0	111.8	E186 N187 Y191 Y192 R193	E186-L189 PolarHBondContact O-N 2.97Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.43Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 2.86Å; L189-Y192 PolarHBondContact O-N 3.49Å; L189-R193 VanDerWaalsContact O-CG 3.29Å; L189-R193 WeakPolarHBondContact O-CG 3.38Å; L189-R193 PolarHBondContact O-N 3.23Å; L189-R193 VanDerWaalsContact O-N 3.14Å
190	S	91.5	Very high	86.3	Confident	38 Å²	38	62.8 Å²	62.8	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-39.5	179.3	-62.2	0	0	0	0	111.8	E186 N187 R193 V194	E186-S190 WeakPolarHBondContact O-CB 3.34Å; E186-S190 PolarHBondContact O-N 2.88Å; E186-S190 PolarHBondContact O-OG 3.17Å; N187-S190 WeakPolarHBondContact O-CB 3.33Å; N187-S190 PolarHBondContact O-N 3.45Å; N187-S190 VanDerWaalsContact O-N 3.14Å; S190-R193 PolarHBondContact O-N 3.49Å; S190-V194 WeakPolarHBondContact O-CG2 3.07Å; S190-V194 PolarHBondContact O-N 3.23Å
191	Y	89.7	Confident	84.1	Confident	7 Å²	7	66.3 Å²	66.3	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-54.6	175.8	-174.7	-88.6	0	0	0	112	N187 E188 L189 R193 V194 E195 L213 L216 R220 E242	N187-Y191 PolarHBondContact O-N 3.48Å; E188-Y191 PolarHBondContact O-N 3.41Å; L189-Y191 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 2.86Å; Y191-R193 VanDerWaalsContact C-N 3.28Å; Y191-R193 PolarHBondContact O-N 3.26Å; Y191-V194 PolarHBondContact O-N 3.36Å; Y191-E195 HydrophobicContact CE1-CB 4.24Å; Y191-E195 WeakPolarHBondContact O-CB 3.18Å; Y191-E195 PolarHBondContact O-N 3.45Å; Y191-L213 HydrophobicContact CD2-CD2 3.95Å; Y191-L213 HydrophobicContact CE2-CB 4.42Å; Y191-L213 HydrophobicContact CE2-CD2 3.6Å; Y191-L216 HydrophobicContact CD2-CB 3.71Å; Y191-R220 VanDerWaalsContact CG-CD 3.41Å; Y191-E242 PolarHBondContact OH-OE1 2.95Å
192	Y	87.2	Confident	81.8	Confident	110 Å²	110	65.7 Å²	65.7	43%	0.431	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-32.8	-179.3	-66.9	-62.8	0	0	0	112.8	E188 L189 K196 R220	E188-Y192 HydrophobicContact CG-CD2 4.41Å; E188-Y192 HydrophobicContact CG-CE2 3.8Å; E188-Y192 WeakPolarHBondContact O-CD2 3.37Å; E188-Y192 PolarHBondContact O-N 3.32Å; E188-Y192 WeakPolarHBondContact OE1-CE2 3.3Å; E188-Y192 VanDerWaalsContact OE1-CZ 3.23Å; E188-Y192 PolarHBondContact OE1-OH 2.95Å; L189-Y192 PolarHBondContact O-N 3.49Å; Y192-K196 VanDerWaalsContact O-CB 3.23Å; Y192-K196 WeakPolarHBondContact O-CB 3.27Å; Y192-K196 PolarHBondContact O-N 3.32Å; Y192-R220 PolarHBondContact OH-NH2 2.85Å
193	R	87.1	Confident	79.3	Confident	143 Å²	143	62.6 Å²	62.6	54%	0.54	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-48.2	174.3	-72.1	172	-169.6	157.2	4.7	111	L189 S190 Y191 K196 K197	L189-R193 VanDerWaalsContact O-CG 3.29Å; L189-R193 WeakPolarHBondContact O-CG 3.38Å; L189-R193 PolarHBondContact O-N 3.23Å; L189-R193 VanDerWaalsContact O-N 3.14Å; S190-R193 PolarHBondContact O-N 3.49Å; Y191-R193 VanDerWaalsContact C-N 3.28Å; Y191-R193 PolarHBondContact O-N 3.26Å; R193-K196 PolarHBondContact O-N 3.07Å; R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.48Å; R193-K197 VanDerWaalsContact O-N 3.12Å
194	V	82.2	Confident	76.7	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-68.7	-43.7	179.9	176.7	0	0	0	0	111.2	S190 Y191 K196 K197 Q198 W209 K212 L213 L216	S190-V194 WeakPolarHBondContact O-CG2 3.07Å; S190-V194 PolarHBondContact O-N 3.23Å; Y191-V194 PolarHBondContact O-N 3.36Å; V194-K196 VanDerWaalsContact C-N 3.3Å; V194-K196 PolarHBondContact O-N 3.5Å; V194-K197 PolarHBondContact O-N 3.19Å; V194-Q198 PolarHBondContact O-N 3.32Å; V194-W209 HydrophobicContact CG1-CB 3.95Å; V194-W209 HydrophobicContact CG1-CD2 4.05Å; V194-W209 HydrophobicContact CG1-CE3 3.69Å; V194-W209 HydrophobicContact CG1-CG 4.19Å; V194-K212 HydrophobicContact CG2-CD 4.2Å; V194-L213 HydrophobicContact CB-CD2 4.05Å; V194-L213 HydrophobicContact CG1-CD1 4.4Å; V194-L213 HydrophobicContact CG1-CD2 3.74Å; V194-L213 HydrophobicContact CG1-CG 3.77Å; V194-L216 HydrophobicContact CB-CD1 4.33Å; V194-L216 HydrophobicContact CG2-CD1 3.97Å
195	E	80.5	Confident	74.3	Confident	57 Å²	57	63.4 Å²	63.4	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-41.4	176.9	-175.9	-172.8	-143.2	0	0	111.2	Y191 Q198 N199 L213	Y191-E195 HydrophobicContact CE1-CB 4.24Å; Y191-E195 WeakPolarHBondContact O-CB 3.18Å; Y191-E195 PolarHBondContact O-N 3.45Å; E195-Q198 PolarHBondContact O-N 3.31Å; E195-N199 WeakPolarHBondContact O-CB 3.27Å; E195-N199 PolarHBondContact O-N 3.41Å; E195-N199 PolarHBondContact O-ND2 3.41Å; E195-L213 HydrophobicContact CB-CD2 4.26Å
196	K	76.5	Confident	72.1	Confident	160 Å²	160	59.8 Å²	59.8	70%	0.696	31%	0.306	S	S	*	.	H	α-helix	trans	-65.1	-41.5	176.3	-173.7	179.9	178.8	-176.3	0	112.2	Y192 R193 V194 N199 A200	Y192-K196 VanDerWaalsContact O-CB 3.23Å; Y192-K196 WeakPolarHBondContact O-CB 3.27Å; Y192-K196 PolarHBondContact O-N 3.32Å; R193-K196 PolarHBondContact O-N 3.07Å; V194-K196 VanDerWaalsContact C-N 3.3Å; V194-K196 PolarHBondContact O-N 3.5Å; K196-N199 PolarHBondContact O-N 3.14Å; K196-A200 WeakPolarHBondContact O-CB 3.48Å; K196-A200 PolarHBondContact O-N 3.39Å
197	K	71.4	Confident	70.2	Confident	109 Å²	109	55.5 Å²	55.5	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-49.6	175.1	-73.9	-178.4	177.3	-171.5	0	110.9	R193 V194 N199 A200 E201 W209	R193-K197 WeakPolarHBondContact O-CG 3.42Å; R193-K197 PolarHBondContact O-N 3.48Å; R193-K197 VanDerWaalsContact O-N 3.12Å; V194-K197 PolarHBondContact O-N 3.19Å; K197-N199 VanDerWaalsContact C-N 3.27Å; K197-N199 PolarHBondContact O-N 3.01Å; K197-A200 PolarHBondContact O-N 3.17Å; K197-E201 PolarHBondContact O-N 3.39Å; K197-W209 HydrophobicContact CD-CH2 4.46Å; K197-W209 HydrophobicContact CD-CZ2 4.44Å
198	Q	69.2	Low	68.6	Low	46 Å²	46	56.2 Å²	56.2	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-39.1	176.8	-174.9	179.6	60.3	0	0	112.5	V194 E195 W209	V194-Q198 PolarHBondContact O-N 3.32Å; E195-Q198 PolarHBondContact O-N 3.31Å; Q198-W209 HydrophobicContact CB-CB 4.28Å; Q198-W209 HydrophobicContact CB-CG 4.22Å; Q198-W209 HydrophobicContact CG-CB 4.42Å
199	N	65.8	Low	67.7	Low	61 Å²	61	55.3 Å²	55.3	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-74.2	-28.1	177.4	-80.9	-72.2	0	0	0	113.9	E195 K196 K197 K579	E195-N199 WeakPolarHBondContact O-CB 3.27Å; E195-N199 PolarHBondContact O-N 3.41Å; E195-N199 PolarHBondContact O-ND2 3.41Å; K196-N199 PolarHBondContact O-N 3.14Å; K197-N199 VanDerWaalsContact C-N 3.27Å; K197-N199 PolarHBondContact O-N 3.01Å; N199-K579 WeakPolarHBondContact OD1-CD 3.35Å; N199-K579 PolarHBondContact OD1-NZ 3.5Å
200	A	63.6	Low	67	Low	81 Å²	81	52.2 Å²	52.2	67%	0.669	27%	0.269	S	S	*	.	H	α-helix	trans	-79.2	-35	178.7	0	0	0	0	0	111.5	K196 K197 A202	K196-A200 WeakPolarHBondContact O-CB 3.48Å; K196-A200 PolarHBondContact O-N 3.39Å; K197-A200 PolarHBondContact O-N 3.17Å; A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.36Å; A200-A202 VanDerWaalsContact O-N 3.1Å
201	E	52.4	Low	66.3	Low	75 Å²	75	50.6 Å²	50.6	35%	0.35	26%	0.258	S	S	.	.			trans	-85.2	60.1	177.5	-66.7	163.3	-168.9	0	0	110.7	K197 C203 G204 W209	K197-E201 PolarHBondContact O-N 3.39Å; E201-C203 PolarHBondContact O-N 3.44Å; E201-G204 PolarHBondContact O-N 3.4Å; E201-G204 VanDerWaalsContact O-N 3.1Å; E201-W209 PolarHBondContact OE2-NE1 3.44Å
202	A	46.5	Very low	66	Low	43 Å²	43	52.3 Å²	52.3	36%	0.355	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.9	177.1	0	0	0	0	0	112.4	A200 T580 R584	A200-A202 VanDerWaalsContact C-N 3.26Å; A200-A202 PolarHBondContact O-N 3.36Å; A200-A202 VanDerWaalsContact O-N 3.1Å; A202-T580 HydrophobicContact CB-CG2 4.09Å; A202-T580 WeakPolarHBondContact O-CG2 3.46Å; A202-R584 PolarHBondContact O-NH1 2.94Å; A202-R584 VanDerWaalsContact O-NH1 3.07Å
203	C	42.9	Very low	66	Low	24 Å²	24	47.1 Å²	47.1	16%	0.162	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.5	-178.2	-156.9	0	0	0	0	115.4	E201 R584 K743	E201-C203 PolarHBondContact O-N 3.44Å; C203-R584 PolarHBondContact O-NH1 3.34Å; C203-K743 WeakPolarHBondContact SG-CE 3.42Å; C203-K743 WeakPolarHBondContact SG-CG 3.37Å
204	G	43.8	Very low	66.1	Low	15 Å²	15	40.6 Å²	40.6	16%	0.155	22%	0.221	C	C	.	.	S	Bend	trans	-66.8	158.6	-176.1	0	0	0	0	0	113.3	E201 V206 D617	E201-G204 PolarHBondContact O-N 3.4Å; E201-G204 VanDerWaalsContact O-N 3.1Å; G204-V206 PolarHBondContact O-N 2.81Å; G204-D617 WeakPolarHBondContact CA-OD1 3.22Å
205	V	46.1	Very low	66.6	Low	26 Å²	26	40.1 Å²	40.1	16%	0.158	22%	0.218	C	C	.	.			trans	-51.5	100.7	167.5	175.4	0	0	0	0	109.2	G207 M208 D617	V205-G207 PolarHBondContact O-N 2.89Å; V205-M208 PolarHBondContact O-N 3.35Å; V205-M208 VanDerWaalsContact O-N 3.15Å; V205-D617 HydrophobicContact CG2-CB 3.97Å; V205-D617 PolarHBondContact N-OD1 3.47Å
206	V	47.1	Very low	67.2	Low	35 Å²	35	37.6 Å²	37.6	21%	0.212	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	117.9	174.9	-178.2	0	0	0	0	107.7	G204 Y585	G204-V206 PolarHBondContact O-N 2.81Å; V206-Y585 HydrophobicContact CB-CE2 4.14Å; V206-Y585 HydrophobicContact CG1-CE2 4.18Å; V206-Y585 WeakPolarHBondContact CG1-OH 3.49Å; V206-Y585 PolarHBondContact O-OH 3.48Å
207	G	53.9	Low	68	Low	4 Å²	4	30.2 Å²	30.2	4%	0.041	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.6	-23.8	-178	0	0	0	0	0	115.6	V205 W209 T210 P211 M253	V205-G207 PolarHBondContact O-N 2.89Å; G207-W209 PolarHBondContact O-N 3.39Å; G207-T210 VanDerWaalsContact CA-OG1 3.32Å; G207-T210 WeakPolarHBondContact CA-OG1 3.42Å; G207-T210 WeakPolarHBondContact O-CB 3.24Å; G207-T210 PolarHBondContact O-N 3.28Å; G207-T210 PolarHBondContact O-OG1 3.23Å; G207-P211 WeakPolarHBondContact O-CD 3.47Å; G207-M253 WeakPolarHBondContact CA-SD 3.33Å; G207-M253 WeakPolarHBondContact O-CE 3.46Å; G207-M253 VanDerWaalsContact O-SD 3.32Å
208	M	60.9	Low	69.2	Low	19 Å²	19	25.1 Å²	25.1	9%	0.094	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-46.3	-171.7	-173.9	179.3	73.5	0	0	113.6	V205 T210 P211 V261 H657	V205-M208 PolarHBondContact O-N 3.35Å; V205-M208 VanDerWaalsContact O-N 3.15Å; M208-T210 PolarHBondContact O-N 2.82Å; M208-P211 WeakPolarHBondContact O-CD 3.32Å; M208-V261 HydrophobicContact CG-CG1 4.24Å; M208-V261 HydrophobicContact SD-CG1 4.41Å; M208-H657 WeakPolarHBondContact CE-CE1 3.35Å; M208-H657 WeakPolarHBondContact CE-NE2 3.44Å; M208-H657 PolarHBondContact SD-CE1 3.43Å; M208-H657 PolarHBondContact SD-NE2 2.84Å; M208-H657 VanDerWaalsContact SD-NE2 3.39Å
209	W	72.3	Confident	70.5	Confident	21 Å²	21	23 Å²	23	8%	0.08	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.3	175.7	-60.8	109.9	0	0	0	113.4	V194 K197 Q198 E201 G207 K212 L213 E656	V194-W209 HydrophobicContact CG1-CB 3.95Å; V194-W209 HydrophobicContact CG1-CD2 4.05Å; V194-W209 HydrophobicContact CG1-CE3 3.69Å; V194-W209 HydrophobicContact CG1-CG 4.19Å; K197-W209 HydrophobicContact CD-CH2 4.46Å; K197-W209 HydrophobicContact CD-CZ2 4.44Å; Q198-W209 HydrophobicContact CB-CB 4.28Å; Q198-W209 HydrophobicContact CB-CG 4.22Å; Q198-W209 HydrophobicContact CG-CB 4.42Å; E201-W209 PolarHBondContact OE2-NE1 3.44Å; G207-W209 PolarHBondContact O-N 3.39Å; W209-K212 HydrophobicContact CE3-CD 4.16Å; W209-K212 HydrophobicContact CZ3-CD 4.21Å; W209-K212 PolarHBondContact O-N 2.86Å; W209-L213 HydrophobicContact CB-CD1 4.12Å; W209-L213 HydrophobicContact CB-CG 4.49Å; W209-L213 WeakPolarHBondContact O-CB 3.35Å; W209-L213 WeakPolarHBondContact O-CG 3.42Å; W209-L213 PolarHBondContact O-N 3.07Å; W209-E656 WeakPolarHBondContact CZ3-OE2 3.2Å
210	T	75.7	Confident	71.7	Confident	12 Å²	12	20.6 Å²	20.6	7%	0.074	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-41.7	-170.8	-61.6	0	0	0	0	113.4	G207 M208 L213 F214 L246 A249 M253	G207-T210 VanDerWaalsContact CA-OG1 3.32Å; G207-T210 WeakPolarHBondContact CA-OG1 3.42Å; G207-T210 WeakPolarHBondContact O-CB 3.24Å; G207-T210 PolarHBondContact O-N 3.28Å; G207-T210 PolarHBondContact O-OG1 3.23Å; M208-T210 PolarHBondContact O-N 2.82Å; T210-L213 PolarHBondContact O-N 3.41Å; T210-F214 WeakPolarHBondContact O-CB 3.38Å; T210-F214 PolarHBondContact O-N 3.07Å; T210-L246 HydrophobicContact CG2-CD2 4.04Å; T210-A249 HydrophobicContact CG2-CB 3.6Å; T210-M253 HydrophobicContact CG2-CE 3.87Å
211	P	77.8	Confident	73.1	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-39.4	178	-21.1	36.5	0	0	0	111.9	G207 M208 F214 V215 M253 S262 V265 S267	G207-P211 WeakPolarHBondContact O-CD 3.47Å; M208-P211 WeakPolarHBondContact O-CD 3.32Å; P211-F214 WeakPolarHBondContact O-CB 3.5Å; P211-F214 PolarHBondContact O-N 3.32Å; P211-V215 WeakPolarHBondContact O-CG2 3.43Å; P211-V215 PolarHBondContact O-N 3.42Å; P211-M253 HydrophobicContact CG-CE 3.79Å; P211-S262 WeakPolarHBondContact CB-OG 3.47Å; P211-S262 WeakPolarHBondContact CG-OG 3.42Å; P211-V265 HydrophobicContact CB-CG1 4.23Å; P211-S267 VanDerWaalsContact CB-CB 3.47Å
212	K	83.5	Confident	75.1	Confident	43 Å²	43	13.2 Å²	13.2	19%	0.187	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-46.8	172.9	-169.7	166.6	-171.2	155.9	0	111.1	V194 W209 F214 V215 L216 V265 E656	V194-K212 HydrophobicContact CG2-CD 4.2Å; W209-K212 HydrophobicContact CE3-CD 4.16Å; W209-K212 HydrophobicContact CZ3-CD 4.21Å; W209-K212 PolarHBondContact O-N 2.86Å; K212-F214 VanDerWaalsContact C-N 3.32Å; K212-F214 PolarHBondContact O-N 2.99Å; K212-V215 PolarHBondContact O-N 3.48Å; K212-L216 HydrophobicContact CG-CD1 4.05Å; K212-L216 WeakPolarHBondContact O-CB 3.05Å; K212-L216 VanDerWaalsContact O-CG 3.22Å; K212-L216 WeakPolarHBondContact O-CG 2.8Å; K212-L216 PolarHBondContact O-N 3.38Å; K212-V265 HydrophobicContact CB-CG2 4.41Å; K212-E656 IonicContact NZ-OE1 3Å; K212-E656 PolarHBondContact NZ-OE1 3.36Å; K212-E656 IonicContact NZ-OE2 2.67Å
213	L	87.1	Confident	77.4	Confident	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-63	-36.6	174.8	-74.7	168.4	0	0	0	112.3	Y191 V194 E195 W209 T210 L216 S217 L246	Y191-L213 HydrophobicContact CD2-CD2 3.95Å; Y191-L213 HydrophobicContact CE2-CB 4.42Å; Y191-L213 HydrophobicContact CE2-CD2 3.6Å; V194-L213 HydrophobicContact CB-CD2 4.05Å; V194-L213 HydrophobicContact CG1-CD1 4.4Å; V194-L213 HydrophobicContact CG1-CD2 3.74Å; V194-L213 HydrophobicContact CG1-CG 3.77Å; E195-L213 HydrophobicContact CB-CD2 4.26Å; W209-L213 HydrophobicContact CB-CD1 4.12Å; W209-L213 HydrophobicContact CB-CG 4.49Å; W209-L213 WeakPolarHBondContact O-CB 3.35Å; W209-L213 WeakPolarHBondContact O-CG 3.42Å; W209-L213 PolarHBondContact O-N 3.07Å; T210-L213 PolarHBondContact O-N 3.41Å; L213-L216 PolarHBondContact O-N 3.5Å; L213-S217 WeakPolarHBondContact O-CA 3.25Å; L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.1Å; L213-L246 HydrophobicContact CB-CD1 4.2Å; L213-L246 HydrophobicContact CB-CD2 3.89Å
214	F	89.7	Confident	79.5	Confident	6 Å²	6	14.3 Å²	14.3	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-48.8	175.5	170.4	-117.9	0	0	0	111	T210 P211 K212 S217 S218 L246 L247 T271 V272 V275	T210-F214 WeakPolarHBondContact O-CB 3.38Å; T210-F214 PolarHBondContact O-N 3.07Å; P211-F214 WeakPolarHBondContact O-CB 3.5Å; P211-F214 PolarHBondContact O-N 3.32Å; K212-F214 VanDerWaalsContact C-N 3.32Å; K212-F214 PolarHBondContact O-N 2.99Å; F214-S217 PolarHBondContact O-N 3.35Å; F214-S218 WeakPolarHBondContact CE2-OG 3.45Å; F214-S218 WeakPolarHBondContact O-CB 3.49Å; F214-S218 PolarHBondContact O-N 3.15Å; F214-S218 PolarHBondContact O-OG 2.88Å; F214-L246 HydrophobicContact CB-CB 3.96Å; F214-L246 HydrophobicContact CD2-CB 4.15Å; F214-L247 HydrophobicContact CD2-CB 4.09Å; F214-L247 HydrophobicContact CE1-CD1 4.33Å; F214-L247 HydrophobicContact CE2-CB 3.7Å; F214-L247 HydrophobicContact CE2-CD1 4.09Å; F214-L247 HydrophobicContact CE2-CG 4.39Å; F214-L247 HydrophobicContact CZ-CB 4.32Å; F214-L247 HydrophobicContact CZ-CD1 3.81Å; F214-T271 HydrophobicContact CE1-CG2 4.33Å; F214-V272 HydrophobicContact CE1-CG2 4.44Å; F214-V275 HydrophobicContact CE1-CG2 4.05Å; F214-V275 HydrophobicContact CZ-CB 4.32Å; F214-V275 HydrophobicContact CZ-CG1 4.08Å; F214-V275 HydrophobicContact CZ-CG2 4.15Å
215	V	92.3	Very high	81.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-49.4	177.3	179	0	0	0	0	110.7	C155 L157 P211 K212 S217 S218 L219 V265 T271	C155-V215 HydrophobicContact CB-CB 4.38Å; C155-V215 HydrophobicContact CB-CG1 3.75Å; L157-V215 HydrophobicContact CB-CG1 3.86Å; L157-V215 HydrophobicContact CD2-CG1 4.19Å; L157-V215 HydrophobicContact CG-CG1 4.44Å; P211-V215 WeakPolarHBondContact O-CG2 3.43Å; P211-V215 PolarHBondContact O-N 3.42Å; K212-V215 PolarHBondContact O-N 3.48Å; V215-S217 PolarHBondContact O-N 3.02Å; V215-S218 WeakPolarHBondContact O-CB 3.45Å; V215-S218 PolarHBondContact O-N 2.75Å; V215-S218 VanDerWaalsContact O-N 3.1Å; V215-L219 HydrophobicContact CG1-CD1 4.46Å; V215-L219 PolarHBondContact O-N 3.24Å; V215-V265 HydrophobicContact CG2-CG1 3.93Å; V215-T271 HydrophobicContact CG2-CG2 3.53Å
216	L	93.4	Very high	83.9	Confident	5 Å²	5	13 Å²	13	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-46.1	179.5	-66.2	171.7	0	0	0	111.2	C155 N187 Y191 V194 K212 L213 S218 L219 R220	C155-L216 HydrophobicContact CB-CD2 3.86Å; C155-L216 HydrophobicContact CB-CG 4.38Å; N187-L216 WeakPolarHBondContact ND2-CD2 3.42Å; N187-L216 PolarHBondContact OD1-O 2.77Å; Y191-L216 HydrophobicContact CD2-CB 3.71Å; V194-L216 HydrophobicContact CB-CD1 4.33Å; V194-L216 HydrophobicContact CG2-CD1 3.97Å; K212-L216 HydrophobicContact CG-CD1 4.05Å; K212-L216 WeakPolarHBondContact O-CB 3.05Å; K212-L216 VanDerWaalsContact O-CG 3.22Å; K212-L216 WeakPolarHBondContact O-CG 2.8Å; K212-L216 PolarHBondContact O-N 3.38Å; L213-L216 PolarHBondContact O-N 3.5Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 2.94Å; L216-L219 PolarHBondContact O-N 3.04Å; L216-R220 WeakPolarHBondContact O-CG 3.48Å; L216-R220 PolarHBondContact O-N 3.44Å
217	S	93.3	Very high	85.7	Confident	4 Å²	4	14.1 Å²	14.1	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-59.7	-38	174.6	177.2	0	0	0	0	112.4	L213 F214 V215 L219 R220 L221 N243 L246	L213-S217 WeakPolarHBondContact O-CA 3.25Å; L213-S217 WeakPolarHBondContact O-CB 3.49Å; L213-S217 PolarHBondContact O-N 3.1Å; F214-S217 PolarHBondContact O-N 3.35Å; V215-S217 PolarHBondContact O-N 3.02Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-R220 PolarHBondContact O-N 3.21Å; S217-L221 WeakPolarHBondContact O-CB 3.39Å; S217-L221 PolarHBondContact O-N 2.68Å; S217-N243 WeakPolarHBondContact OG-CA 3.49Å; S217-N243 WeakPolarHBondContact OG-CB 3.45Å; S217-N243 PolarHBondContact OG-ND2 2.88Å; S217-N243 VanDerWaalsContact OG-ND2 3.16Å; S217-L246 VanDerWaalsContact CB-CD1 3.49Å
218	S	95.4	Very high	86.4	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-66.2	-38.7	178.6	-58.6	0	0	0	0	111.6	F214 V215 L216 L221 F222 N243	F214-S218 WeakPolarHBondContact CE2-OG 3.45Å; F214-S218 WeakPolarHBondContact O-CB 3.49Å; F214-S218 PolarHBondContact O-N 3.15Å; F214-S218 PolarHBondContact O-OG 2.88Å; V215-S218 WeakPolarHBondContact O-CB 3.45Å; V215-S218 PolarHBondContact O-N 2.75Å; V215-S218 VanDerWaalsContact O-N 3.1Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 2.94Å; S218-L221 PolarHBondContact O-N 3.2Å; S218-F222 WeakPolarHBondContact O-CB 3.28Å; S218-F222 PolarHBondContact O-N 3.39Å; S218-N243 WeakPolarHBondContact CA-ND2 3.32Å; S218-N243 PolarHBondContact N-ND2 3.45Å; S218-N243 VanDerWaalsContact N-ND2 3.12Å; S218-N243 PolarHBondContact OG-ND2 3.18Å
219	L	96.1	Very high	86.6	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-70.1	-36.5	174.6	-66.6	-178.7	0	0	0	112.4	C155 L157 V160 L184 N187 V215 L216 S217 F222 R223 L278	C155-L219 WeakPolarHBondContact O-CD1 2.92Å; L157-L219 HydrophobicContact CD1-CD2 3.84Å; L157-L219 HydrophobicContact CD1-CG 4.45Å; V160-L219 HydrophobicContact CB-CD2 3.86Å; V160-L219 HydrophobicContact CG1-CD2 3.7Å; V160-L219 HydrophobicContact CG2-CD1 4.43Å; V160-L219 HydrophobicContact CG2-CD2 3.99Å; L184-L219 HydrophobicContact CD2-CB 4.27Å; N187-L219 WeakPolarHBondContact ND2-CB 3.41Å; N187-L219 VanDerWaalsContact ND2-CD1 3.34Å; N187-L219 WeakPolarHBondContact ND2-CD1 3.46Å; V215-L219 HydrophobicContact CG1-CD1 4.46Å; V215-L219 PolarHBondContact O-N 3.24Å; L216-L219 PolarHBondContact O-N 3.04Å; S217-L219 VanDerWaalsContact C-N 3.34Å; L219-F222 PolarHBondContact O-N 2.89Å; L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 2.81Å; L219-L278 HydrophobicContact CD2-CD2 3.84Å
220	R	92.7	Very high	85.8	Confident	11 Å²	11	30.3 Å²	30.3	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-43.4	170.3	-65.1	177	69.2	-153.3	3.1	112.1	N187 E188 Y191 Y192 L216 S217 R223 F224 Y239 E242	N187-R220 VanDerWaalsContact OD1-CG 3.32Å; N187-R220 WeakPolarHBondContact OD1-CG 3.36Å; E188-R220 VanDerWaalsContact CD-NE 3.27Å; E188-R220 IonicContact OE1-CZ 2.72Å; E188-R220 IonicContact OE1-NE 2.76Å; E188-R220 PolarHBondContact OE1-NE 2.89Å; E188-R220 IonicContact OE1-NH2 3.78Å; E188-R220 PolarHBondContact OE1-NH2 2.82Å; E188-R220 WeakPolarHBondContact OE2-CD 3.29Å; E188-R220 VanDerWaalsContact OE2-CG 3.27Å; E188-R220 WeakPolarHBondContact OE2-CG 3.44Å; E188-R220 IonicContact OE2-CZ 3.49Å; E188-R220 IonicContact OE2-NE 2.92Å; E188-R220 PolarHBondContact OE2-NE 3.18Å; E188-R220 IonicContact OE2-NH2 2.77Å; Y191-R220 VanDerWaalsContact CG-CD 3.41Å; Y192-R220 PolarHBondContact OH-NH2 2.85Å; L216-R220 WeakPolarHBondContact O-CG 3.48Å; L216-R220 PolarHBondContact O-N 3.44Å; S217-R220 PolarHBondContact O-N 3.21Å; R220-R223 PolarHBondContact O-N 2.78Å; R220-F224 WeakPolarHBondContact O-CB 3.37Å; R220-F224 PolarHBondContact O-N 3.19Å; R220-F224 VanDerWaalsContact O-N 3.07Å; R220-Y239 PolarHBondContact NH2-OH 3.3Å; R220-E242 IonicContact NH1-OE1 3.3Å
221	L	92.5	Very high	84.9	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-48.4	175.4	-177.3	63.2	0	0	0	110.6	S217 S218 R223 F224 F225 L236 N243 W300	S217-L221 WeakPolarHBondContact O-CB 3.39Å; S217-L221 PolarHBondContact O-N 2.68Å; S218-L221 PolarHBondContact O-N 3.2Å; L221-R223 PolarHBondContact O-N 2.89Å; L221-F224 PolarHBondContact O-N 2.89Å; L221-F225 HydrophobicContact CD1-CD2 3.99Å; L221-F225 HydrophobicContact CD1-CE2 3.51Å; L221-F225 HydrophobicContact CD1-CZ 4.44Å; L221-F225 HydrophobicContact CD2-CE2 4.32Å; L221-F225 HydrophobicContact CG-CD2 3.95Å; L221-F225 HydrophobicContact CG-CE2 3.72Å; L221-F225 VanDerWaalsContact O-CD2 3.22Å; L221-F225 WeakPolarHBondContact O-CD2 3.36Å; L221-F225 PolarHBondContact O-N 3.39Å; L221-F225 VanDerWaalsContact O-N 3.12Å; L221-L236 HydrophobicContact CD1-CD1 4.18Å; L221-N243 HydrophobicContact CD2-CB 4.32Å; L221-W300 HydrophobicContact CD2-CD2 4.37Å; L221-W300 HydrophobicContact CD2-CG 4.19Å
222	F	95	Very high	84.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-51.1	174.7	173.2	-89	0	0	0	111.8	V160 F164 L180 L184 S218 L219 F224 F225 Y226 L278 L279 L282	V160-F222 HydrophobicContact CG1-CD1 4.16Å; V160-F222 HydrophobicContact CG1-CE1 4.15Å; F164-F222 HydrophobicContact CB-CZ 4.07Å; F164-F222 AromaticContact CD1-CE2 3.65Å; F164-F222 HydrophobicContact CD1-CE2 3.65Å; F164-F222 AromaticContact CD1-CZ 3.81Å; F164-F222 HydrophobicContact CD1-CZ 3.81Å; F164-F222 HydrophobicContact CD2-CE2 4.29Å; F164-F222 AromaticContact CD2-CZ 3.67Å; F164-F222 HydrophobicContact CD2-CZ 3.67Å; F164-F222 AromaticContact CE1-CE2 3.8Å; F164-F222 HydrophobicContact CE1-CE2 3.8Å; F164-F222 HydrophobicContact CE1-CZ 4.16Å; F164-F222 HydrophobicContact CE2-CE2 4.4Å; F164-F222 HydrophobicContact CE2-CZ 4.01Å; F164-F222 AromaticContact CG-CE2 3.93Å; F164-F222 HydrophobicContact CG-CE2 3.93Å; F164-F222 AromaticContact CG-CZ 3.57Å; F164-F222 HydrophobicContact CG-CZ 3.57Å; F164-F222 HydrophobicContact CZ-CE2 4.18Å; F164-F222 HydrophobicContact CZ-CZ 4.25Å; L180-F222 HydrophobicContact CD1-CE1 4.07Å; L180-F222 HydrophobicContact CD2-CE1 4.24Å; L180-F222 HydrophobicContact CD2-CZ 4.46Å; L184-F222 HydrophobicContact CD1-CD1 3.94Å; L184-F222 HydrophobicContact CD1-CE1 3.93Å; L184-F222 HydrophobicContact CD2-CD1 4.06Å; S218-F222 WeakPolarHBondContact O-CB 3.28Å; S218-F222 PolarHBondContact O-N 3.39Å; L219-F222 PolarHBondContact O-N 2.89Å; F222-F224 VanDerWaalsContact C-N 3.28Å; F222-F224 PolarHBondContact O-N 3.19Å; F222-F225 WeakPolarHBondContact O-CB 3.41Å; F222-F225 PolarHBondContact O-N 2.88Å; F222-F225 VanDerWaalsContact O-N 3.14Å; F222-Y226 HydrophobicContact CE1-CD1 4.44Å; F222-Y226 HydrophobicContact CE1-CG 4.24Å; F222-Y226 HydrophobicContact CZ-CG 4.33Å; F222-Y226 WeakPolarHBondContact O-CB 3.26Å; F222-Y226 PolarHBondContact O-N 3.4Å; F222-L278 HydrophobicContact CB-CD2 4.18Å; F222-L278 HydrophobicContact CD2-CD1 3.66Å; F222-L278 HydrophobicContact CD2-CD2 3.85Å; F222-L278 HydrophobicContact CD2-CG 3.56Å; F222-L278 HydrophobicContact CE2-CD1 3.47Å; F222-L278 VanDerWaalsContact CE2-CD1 3.47Å; F222-L278 HydrophobicContact CE2-CD2 4.48Å; F222-L278 HydrophobicContact CE2-CG 3.91Å; F222-L278 HydrophobicContact CG-CD1 4.4Å; F222-L278 HydrophobicContact CG-CD2 3.99Å; F222-L278 HydrophobicContact CG-CG 4.22Å; F222-L278 HydrophobicContact CZ-CD1 4.09Å; F222-L279 HydrophobicContact CB-CD2 4.4Å; F222-L282 HydrophobicContact CD2-CB 4.14Å; F222-L282 HydrophobicContact CD2-CD1 4.33Å; F222-L282 HydrophobicContact CD2-CD2 3.52Å; F222-L282 HydrophobicContact CD2-CG 4.2Å; F222-L282 HydrophobicContact CE2-CB 3.97Å; F222-L282 HydrophobicContact CE2-CD1 3.93Å; F222-L282 HydrophobicContact CE2-CD2 3.97Å; F222-L282 HydrophobicContact CE2-CG 4.16Å; F222-L282 HydrophobicContact CG-CD2 4.3Å
223	R	93.1	Very high	84	Confident	50 Å²	50	40.7 Å²	40.7	19%	0.189	22%	0.216	C	C	.	.	H	α-helix	trans	-53.9	-46.9	178.7	-178.4	-171.5	175.4	138.2	13.7	111.5	L184 Q185 L219 R220 L221 F225 Y226 E227	L184-R223 HydrophobicContact CB-CB 4.29Å; L184-R223 HydrophobicContact CB-CG 4.13Å; L184-R223 HydrophobicContact CD1-CB 3.97Å; L184-R223 HydrophobicContact CD1-CG 4.11Å; L184-R223 HydrophobicContact CD2-CB 4.21Å; L184-R223 HydrophobicContact CG-CB 4.38Å; L184-R223 PolarHBondContact O-NH1 3.04Å; L184-R223 VanDerWaalsContact O-NH1 3.07Å; Q185-R223 VanDerWaalsContact CA-NH1 3.28Å; L219-R223 WeakPolarHBondContact O-CB 3.49Å; L219-R223 PolarHBondContact O-N 2.81Å; R220-R223 PolarHBondContact O-N 2.78Å; L221-R223 PolarHBondContact O-N 2.89Å; R223-F225 VanDerWaalsContact C-N 3.29Å; R223-F225 PolarHBondContact O-N 3.31Å; R223-Y226 PolarHBondContact O-N 3.04Å; R223-E227 HydrophobicContact CG-CG 4.15Å; R223-E227 WeakPolarHBondContact CG-OE2 3.46Å; R223-E227 IonicContact CZ-OE1 3.01Å; R223-E227 IonicContact CZ-OE2 2.6Å; R223-E227 VanDerWaalsContact NE-CD 3.28Å; R223-E227 IonicContact NE-OE1 3.54Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NE-OE2 2.82Å; R223-E227 PolarHBondContact NE-OE2 3.02Å; R223-E227 IonicContact NH2-OE1 3.94Å; R223-E227 PolarHBondContact NH2-OE1 2.65Å; R223-E227 IonicContact NH2-OE2 2.6Å; R223-E227 WeakPolarHBondContact O-CB 3.43Å; R223-E227 PolarHBondContact O-N 3.47Å
224	F	88	Confident	83.6	Confident	40 Å²	40	48.6 Å²	48.6	18%	0.175	25%	0.25	C	C	.	.	H	α-helix	trans	-66.5	-32.5	-176.5	-169.5	-81.2	0	0	0	112.5	R220 L221 F222 A231 T235 L236 Y239 K293	R220-F224 WeakPolarHBondContact O-CB 3.37Å; R220-F224 PolarHBondContact O-N 3.19Å; R220-F224 VanDerWaalsContact O-N 3.07Å; L221-F224 PolarHBondContact O-N 2.89Å; F222-F224 VanDerWaalsContact C-N 3.28Å; F222-F224 PolarHBondContact O-N 3.19Å; F224-A231 HydrophobicContact CD1-CB 4.16Å; F224-A231 HydrophobicContact CE1-CB 3.14Å; F224-A231 HydrophobicContact CE2-CB 4.31Å; F224-A231 HydrophobicContact CZ-CB 3.25Å; F224-T235 HydrophobicContact CE2-CG2 4Å; F224-T235 HydrophobicContact CZ-CG2 4.25Å; F224-L236 HydrophobicContact CD1-CB 4.27Å; F224-L236 HydrophobicContact CD1-CD1 3.48Å; F224-L236 VanDerWaalsContact CD1-CD1 3.48Å; F224-L236 HydrophobicContact CD1-CG 4.34Å; F224-L236 HydrophobicContact CE1-CB 3.53Å; F224-L236 HydrophobicContact CE1-CD1 3.66Å; F224-L236 HydrophobicContact CE1-CD2 4.42Å; F224-L236 HydrophobicContact CE1-CG 4.02Å; F224-L236 HydrophobicContact CZ-CB 4.21Å; F224-Y239 HydrophobicContact CB-CD2 4.31Å; F224-Y239 HydrophobicContact CD2-CD2 4.01Å; F224-Y239 AromaticContact CD2-CE2 3.77Å; F224-Y239 HydrophobicContact CD2-CE2 3.77Å; F224-Y239 HydrophobicContact CE2-CE2 4.27Å; F224-Y239 HydrophobicContact CG-CD2 4.13Å; F224-Y239 HydrophobicContact CG-CE2 4.32Å; F224-K293 PolarHBondContact O-NZ 3.38Å; F224-K293 VanDerWaalsContact O-NZ 3.08Å
225	F	89.8	Confident	83.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-44.8	170.3	-82.3	-64.8	0	0	0	112.5	L221 F222 R223 L236 L282 L286 K293 A296 I297	L221-F225 HydrophobicContact CD1-CD2 3.99Å; L221-F225 HydrophobicContact CD1-CE2 3.51Å; L221-F225 HydrophobicContact CD1-CZ 4.44Å; L221-F225 HydrophobicContact CD2-CE2 4.32Å; L221-F225 HydrophobicContact CG-CD2 3.95Å; L221-F225 HydrophobicContact CG-CE2 3.72Å; L221-F225 VanDerWaalsContact O-CD2 3.22Å; L221-F225 WeakPolarHBondContact O-CD2 3.36Å; L221-F225 PolarHBondContact O-N 3.39Å; L221-F225 VanDerWaalsContact O-N 3.12Å; F222-F225 WeakPolarHBondContact O-CB 3.41Å; F222-F225 PolarHBondContact O-N 2.88Å; F222-F225 VanDerWaalsContact O-N 3.14Å; R223-F225 VanDerWaalsContact C-N 3.29Å; R223-F225 PolarHBondContact O-N 3.31Å; F225-L236 HydrophobicContact CD1-CD1 4.38Å; F225-L236 HydrophobicContact CD2-CD1 4.45Å; F225-L236 HydrophobicContact CE1-CD1 3.84Å; F225-L236 HydrophobicContact CE1-CD2 3.89Å; F225-L236 HydrophobicContact CE1-CG 4.44Å; F225-L236 HydrophobicContact CE2-CD1 3.94Å; F225-L236 HydrophobicContact CZ-CD1 3.59Å; F225-L236 HydrophobicContact CZ-CD2 4.23Å; F225-L236 HydrophobicContact CZ-CG 4.33Å; F225-L282 HydrophobicContact CB-CD1 4.4Å; F225-L282 HydrophobicContact CB-CD2 3.43Å; F225-L282 VanDerWaalsContact CB-CD2 3.43Å; F225-L282 HydrophobicContact CB-CG 4.25Å; F225-L282 HydrophobicContact CD2-CD2 4.17Å; F225-L282 HydrophobicContact CG-CD2 4.04Å; F225-L286 HydrophobicContact CB-CD1 4.28Å; F225-L286 HydrophobicContact CD1-CD1 3.93Å; F225-L286 HydrophobicContact CG-CD1 4.34Å; F225-K293 HydrophobicContact CD1-CB 3.88Å; F225-K293 HydrophobicContact CD1-CD 4.1Å; F225-K293 HydrophobicContact CD1-CG 4.46Å; F225-K293 HydrophobicContact CE1-CB 4.12Å; F225-K293 WeakPolarHBondContact CE1-O 3.38Å; F225-K293 WeakPolarHBondContact O-CD 3.32Å; F225-K293 PolarHBondContact O-NZ 2.91Å; F225-A296 HydrophobicContact CE1-CB 3.99Å; F225-A296 HydrophobicContact CZ-CB 4.05Å; F225-I297 HydrophobicContact CD1-CB 4.43Å; F225-I297 HydrophobicContact CD2-CD1 4.37Å; F225-I297 HydrophobicContact CE1-CB 3.85Å; F225-I297 HydrophobicContact CE2-CB 4.02Å; F225-I297 HydrophobicContact CE2-CD1 4.44Å; F225-I297 HydrophobicContact CE2-CG1 4.19Å; F225-I297 HydrophobicContact CZ-CB 3.62Å; F225-I297 HydrophobicContact CZ-CG1 4.3Å
226	Y	91.5	Very high	82.5	Confident	14 Å²	14	51.1 Å²	51.1	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-71.2	-45.2	-174.8	179.6	-116.1	0	0	0	113.5	F164 E177 L180 L181 F222 R223 W285	F164-Y226 HydrophobicContact CD2-CD2 4.45Å; F164-Y226 HydrophobicContact CD2-CE2 4.25Å; F164-Y226 AromaticContact CE2-CD2 3.81Å; F164-Y226 HydrophobicContact CE2-CD2 3.81Å; F164-Y226 AromaticContact CE2-CE2 3.75Å; F164-Y226 HydrophobicContact CE2-CE2 3.75Å; E177-Y226 WeakPolarHBondContact CG-OH 3.48Å; E177-Y226 PolarHBondContact OE1-OH 3.41Å; L180-Y226 HydrophobicContact CD2-CD1 4.16Å; L180-Y226 HydrophobicContact CD2-CE1 3.64Å; L181-Y226 HydrophobicContact CD2-CD1 4.38Å; L181-Y226 HydrophobicContact CD2-CE1 4.13Å; F222-Y226 HydrophobicContact CE1-CD1 4.44Å; F222-Y226 HydrophobicContact CE1-CG 4.24Å; F222-Y226 HydrophobicContact CZ-CG 4.33Å; F222-Y226 WeakPolarHBondContact O-CB 3.26Å; F222-Y226 PolarHBondContact O-N 3.4Å; R223-Y226 PolarHBondContact O-N 3.04Å; Y226-W285 HydrophobicContact CD2-CE3 4.45Å; Y226-W285 HydrophobicContact CD2-CH2 4.03Å; Y226-W285 HydrophobicContact CD2-CZ2 4.28Å; Y226-W285 HydrophobicContact CD2-CZ3 4.13Å; Y226-W285 HydrophobicContact CE2-CH2 4.05Å; Y226-W285 AromaticContact CE2-CZ2 3.88Å; Y226-W285 HydrophobicContact CE2-CZ2 3.88Å
227	E	85.8	Confident	82	Confident	58 Å²	58	54 Å²	54	27%	0.271	28%	0.279	S	S	.	.	S	Bend	trans	-69.5	133.5	179.7	-71.9	-178.4	146.9	0	0	111	L181 R223 S229 K293	L181-E227 HydrophobicContact CD2-CG 4.34Å; R223-E227 HydrophobicContact CG-CG 4.15Å; R223-E227 WeakPolarHBondContact CG-OE2 3.46Å; R223-E227 IonicContact CZ-OE1 3.01Å; R223-E227 IonicContact CZ-OE2 2.6Å; R223-E227 VanDerWaalsContact NE-CD 3.28Å; R223-E227 IonicContact NE-OE1 3.54Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NE-OE2 2.82Å; R223-E227 PolarHBondContact NE-OE2 3.02Å; R223-E227 IonicContact NH2-OE1 3.94Å; R223-E227 PolarHBondContact NH2-OE1 2.65Å; R223-E227 IonicContact NH2-OE2 2.6Å; R223-E227 WeakPolarHBondContact O-CB 3.43Å; R223-E227 PolarHBondContact O-N 3.47Å; E227-S229 PolarHBondContact O-N 3.43Å; E227-K293 PolarHBondContact O-NZ 3.14Å
228	K	69.4	Low	81.4	Confident	183 Å²	183	59.6 Å²	59.6	80%	0.796	30%	0.303	S	S	*	.			trans	-69.6	5.6	-179.1	-65.2	-178.3	-179.8	175.1	0	114.7	S230	K228-S230 PolarHBondContact O-N 3.25Å
229	S	63.6	Low	80.9	Confident	84 Å²	84	61.7 Å²	61.7	59%	0.587	31%	0.311	S	S	*	.	S	Bend	trans	-55.6	140.5	178.4	-175.7	0	0	0	0	109.7	E227 A231	E227-S229 PolarHBondContact O-N 3.43Å; S229-A231 PolarHBondContact O-N 3.09Å
230	S	55.3	Low	80.5	Confident	117 Å²	117	61.8 Å²	61.8	82%	0.818	31%	0.312	S	S	*	.			trans	-65.9	79.5	177.9	62.3	0	0	0	0	109.3	K228 N232	K228-S230 PolarHBondContact O-N 3.25Å; S230-N232 PolarHBondContact O-N 2.91Å; S230-N232 VanDerWaalsContact O-N 3.13Å
231	A	58	Low	80.1	Confident	35 Å²	35	63.6 Å²	63.6	29%	0.289	32%	0.323	S	S	.	.			trans	-54.7	117.6	175.4	0	0	0	0	0	109.1	F224 S229 E233	F224-A231 HydrophobicContact CD1-CB 4.16Å; F224-A231 HydrophobicContact CE1-CB 3.14Å; F224-A231 HydrophobicContact CE2-CB 4.31Å; F224-A231 HydrophobicContact CZ-CB 3.25Å; S229-A231 PolarHBondContact O-N 3.09Å; A231-E233 PolarHBondContact O-N 3.38Å; A231-E233 VanDerWaalsContact O-N 3.16Å
232	N	70.6	Confident	79.7	Confident	91 Å²	91	65.4 Å²	65.4	49%	0.487	33%	0.331	S	S	.	.			trans	-63.8	116.4	160.5	-179.5	-9.7	0	0	0	106.8	S230 K234 T235 L236	S230-N232 PolarHBondContact O-N 2.91Å; S230-N232 VanDerWaalsContact O-N 3.13Å; N232-K234 PolarHBondContact O-N 3.1Å; N232-K234 WeakPolarHBondContact OD1-CB 3.45Å; N232-K234 PolarHBondContact OD1-N 3.13Å; N232-K234 VanDerWaalsContact OD1-N 3.09Å; N232-T235 WeakPolarHBondContact O-CA 3.07Å; N232-T235 WeakPolarHBondContact O-CB 3.26Å; N232-T235 PolarHBondContact O-N 3.47Å; N232-L236 PolarHBondContact O-N 3.32Å; N232-L236 VanDerWaalsContact O-N 3.16Å
233	E	72.5	Confident	79.5	Confident	149 Å²	149	65.4 Å²	65.4	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-46.4	-36.4	177.8	-171	-173	165.1	0	0	112.2	A231 T235 L236 M237	A231-E233 PolarHBondContact O-N 3.38Å; A231-E233 VanDerWaalsContact O-N 3.16Å; E233-T235 VanDerWaalsContact C-N 3.34Å; E233-T235 PolarHBondContact O-N 3.39Å; E233-L236 WeakPolarHBondContact O-CB 3.26Å; E233-L236 PolarHBondContact O-N 3.15Å; E233-M237 WeakPolarHBondContact O-CG 3.36Å; E233-M237 PolarHBondContact O-N 2.77Å
234	K	78.3	Confident	79.2	Confident	169 Å²	169	63.5 Å²	63.5	74%	0.735	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-38.1	176.2	-64.7	-178	177.5	178.4	0	113.3	N232 K238	N232-K234 PolarHBondContact O-N 3.1Å; N232-K234 WeakPolarHBondContact OD1-CB 3.45Å; N232-K234 PolarHBondContact OD1-N 3.13Å; N232-K234 VanDerWaalsContact OD1-N 3.09Å; K234-K238 PolarHBondContact O-N 2.76Å; K234-K238 VanDerWaalsContact O-N 3.16Å
235	T	79.8	Confident	79	Confident	50 Å²	50	62 Å²	62	31%	0.307	32%	0.319	S	S	.	.	H	α-helix	trans	-70.9	-41.8	177	-55.2	0	0	0	0	110.4	F224 N232 E233 M237 K238 Y239	F224-T235 HydrophobicContact CE2-CG2 4Å; F224-T235 HydrophobicContact CZ-CG2 4.25Å; N232-T235 WeakPolarHBondContact O-CA 3.07Å; N232-T235 WeakPolarHBondContact O-CB 3.26Å; N232-T235 PolarHBondContact O-N 3.47Å; E233-T235 VanDerWaalsContact C-N 3.34Å; E233-T235 PolarHBondContact O-N 3.39Å; T235-M237 PolarHBondContact O-N 2.88Å; T235-K238 WeakPolarHBondContact O-CB 3.38Å; T235-K238 PolarHBondContact O-N 3.44Å; T235-Y239 HydrophobicContact CG2-CE1 4.22Å; T235-Y239 HydrophobicContact CG2-CE2 4.31Å; T235-Y239 PolarHBondContact O-N 3.11Å
236	L	79.5	Confident	78.8	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-57.1	-52.2	175.9	-177.8	52.2	0	0	0	111.3	L221 F224 F225 N232 E233 K238 Y239 C240 A296	L221-L236 HydrophobicContact CD1-CD1 4.18Å; F224-L236 HydrophobicContact CD1-CB 4.27Å; F224-L236 HydrophobicContact CD1-CD1 3.48Å; F224-L236 VanDerWaalsContact CD1-CD1 3.48Å; F224-L236 HydrophobicContact CD1-CG 4.34Å; F224-L236 HydrophobicContact CE1-CB 3.53Å; F224-L236 HydrophobicContact CE1-CD1 3.66Å; F224-L236 HydrophobicContact CE1-CD2 4.42Å; F224-L236 HydrophobicContact CE1-CG 4.02Å; F224-L236 HydrophobicContact CZ-CB 4.21Å; F225-L236 HydrophobicContact CD1-CD1 4.38Å; F225-L236 HydrophobicContact CD2-CD1 4.45Å; F225-L236 HydrophobicContact CE1-CD1 3.84Å; F225-L236 HydrophobicContact CE1-CD2 3.89Å; F225-L236 HydrophobicContact CE1-CG 4.44Å; F225-L236 HydrophobicContact CE2-CD1 3.94Å; F225-L236 HydrophobicContact CZ-CD1 3.59Å; F225-L236 HydrophobicContact CZ-CD2 4.23Å; F225-L236 HydrophobicContact CZ-CG 4.33Å; N232-L236 PolarHBondContact O-N 3.32Å; N232-L236 VanDerWaalsContact O-N 3.16Å; E233-L236 WeakPolarHBondContact O-CB 3.26Å; E233-L236 PolarHBondContact O-N 3.15Å; L236-K238 PolarHBondContact O-N 3.17Å; L236-Y239 PolarHBondContact O-N 2.81Å; L236-C240 PolarHBondContact O-N 3.37Å; L236-C240 PolarHBondContact O-SG 3.47Å; L236-A296 HydrophobicContact CD2-CB 3.55Å; L236-A296 HydrophobicContact CG-CB 4.25Å
237	M	81.4	Confident	78.5	Confident	64 Å²	64	62.2 Å²	62.2	32%	0.315	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-35.5	-179.8	-67.9	-53.3	-64.4	0	0	111.8	E233 T235 C240 D241	E233-M237 WeakPolarHBondContact O-CG 3.36Å; E233-M237 PolarHBondContact O-N 2.77Å; T235-M237 PolarHBondContact O-N 2.88Å; M237-C240 PolarHBondContact O-N 3.5Å; M237-D241 WeakPolarHBondContact O-CB 3.46Å; M237-D241 PolarHBondContact O-N 3.38Å
238	K	81.1	Confident	78.3	Confident	123 Å²	123	60.5 Å²	60.5	54%	0.535	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-44.6	173.1	-175	-172.8	171.6	-168.1	0	111.7	K234 T235 L236 D241 E242	K234-K238 PolarHBondContact O-N 2.76Å; K234-K238 VanDerWaalsContact O-N 3.16Å; T235-K238 WeakPolarHBondContact O-CB 3.38Å; T235-K238 PolarHBondContact O-N 3.44Å; L236-K238 PolarHBondContact O-N 3.17Å; K238-D241 PolarHBondContact O-N 2.99Å; K238-E242 WeakPolarHBondContact O-CB 3.49Å; K238-E242 PolarHBondContact O-N 3.21Å
239	Y	85.7	Confident	78.5	Confident	45 Å²	45	52.5 Å²	52.5	18%	0.176	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-41.1	178.7	-71.1	-3.2	0	0	0	112.2	R220 F224 T235 L236 D241 E242 N243	R220-Y239 PolarHBondContact NH2-OH 3.3Å; F224-Y239 HydrophobicContact CB-CD2 4.31Å; F224-Y239 HydrophobicContact CD2-CD2 4.01Å; F224-Y239 AromaticContact CD2-CE2 3.77Å; F224-Y239 HydrophobicContact CD2-CE2 3.77Å; F224-Y239 HydrophobicContact CE2-CE2 4.27Å; F224-Y239 HydrophobicContact CG-CD2 4.13Å; F224-Y239 HydrophobicContact CG-CE2 4.32Å; T235-Y239 HydrophobicContact CG2-CE1 4.22Å; T235-Y239 HydrophobicContact CG2-CE2 4.31Å; T235-Y239 PolarHBondContact O-N 3.11Å; L236-Y239 PolarHBondContact O-N 2.81Å; Y239-D241 PolarHBondContact O-N 3.47Å; Y239-E242 PolarHBondContact O-N 2.77Å; Y239-N243 VanDerWaalsContact O-CB 3.3Å; Y239-N243 WeakPolarHBondContact O-CB 3.45Å; Y239-N243 PolarHBondContact O-N 3.44Å
240	C	87.2	Confident	79.3	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-50.2	172.1	-70.1	0	0	0	0	111.1	L236 M237 E242 N243 L244	L236-C240 PolarHBondContact O-N 3.37Å; L236-C240 PolarHBondContact O-SG 3.47Å; M237-C240 PolarHBondContact O-N 3.5Å; C240-E242 PolarHBondContact O-N 3.24Å; C240-N243 PolarHBondContact O-N 2.84Å; C240-L244 WeakPolarHBondContact O-CB 3.41Å; C240-L244 VanDerWaalsContact O-CG 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.41Å; C240-L244 PolarHBondContact O-N 3.2Å
241	D	83.5	Confident	80.4	Confident	49 Å²	49	43.8 Å²	43.8	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-41.7	-178.5	-70.2	-26.2	0	0	0	112.5	M237 K238 Y239 L244 C245 R572	M237-D241 WeakPolarHBondContact O-CB 3.46Å; M237-D241 PolarHBondContact O-N 3.38Å; K238-D241 PolarHBondContact O-N 2.99Å; Y239-D241 PolarHBondContact O-N 3.47Å; D241-L244 PolarHBondContact O-N 2.75Å; D241-C245 PolarHBondContact O-N 2.97Å; D241-C245 PolarHBondContact O-SG 3.18Å; D241-R572 IonicContact OD2-CZ 3.42Å; D241-R572 IonicContact OD2-NH1 2.68Å; D241-R572 PolarHBondContact OD2-NH1 3.45Å; D241-R572 IonicContact OD2-NH2 3.27Å; D241-R572 PolarHBondContact OD2-NH2 3.3Å
242	E	85.5	Confident	81.2	Confident	39 Å²	39	45 Å²	45	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-46.9	177	-178.7	178.2	137.5	0	0	111.1	Y191 R220 K238 Y239 C240 L244 C245 L246	Y191-E242 PolarHBondContact OH-OE1 2.95Å; R220-E242 IonicContact NH1-OE1 3.3Å; K238-E242 WeakPolarHBondContact O-CB 3.49Å; K238-E242 PolarHBondContact O-N 3.21Å; Y239-E242 PolarHBondContact O-N 2.77Å; C240-E242 PolarHBondContact O-N 3.24Å; E242-L244 PolarHBondContact O-N 3.15Å; E242-C245 VanDerWaalsContact O-CB 3.3Å; E242-C245 WeakPolarHBondContact O-CB 3.34Å; E242-C245 PolarHBondContact O-N 3.48Å; E242-L246 WeakPolarHBondContact O-CG 3.13Å; E242-L246 PolarHBondContact O-N 3.02Å; E242-L246 VanDerWaalsContact O-N 3.12Å
243	N	90.5	Very high	81.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-42.2	177.3	-175.3	-93.9	0	0	0	112.2	S217 S218 L221 Y239 C240 C245 L246 L247 W300	S217-N243 WeakPolarHBondContact OG-CA 3.49Å; S217-N243 WeakPolarHBondContact OG-CB 3.45Å; S217-N243 PolarHBondContact OG-ND2 2.88Å; S217-N243 VanDerWaalsContact OG-ND2 3.16Å; S218-N243 WeakPolarHBondContact CA-ND2 3.32Å; S218-N243 PolarHBondContact N-ND2 3.45Å; S218-N243 VanDerWaalsContact N-ND2 3.12Å; S218-N243 PolarHBondContact OG-ND2 3.18Å; L221-N243 HydrophobicContact CD2-CB 4.32Å; Y239-N243 VanDerWaalsContact O-CB 3.3Å; Y239-N243 WeakPolarHBondContact O-CB 3.45Å; Y239-N243 PolarHBondContact O-N 3.44Å; C240-N243 PolarHBondContact O-N 2.84Å; N243-C245 VanDerWaalsContact C-N 3.31Å; N243-C245 PolarHBondContact O-N 3.38Å; N243-L246 WeakPolarHBondContact O-CB 3.45Å; N243-L246 PolarHBondContact O-N 3.19Å; N243-L246 VanDerWaalsContact O-N 3.11Å; N243-L247 PolarHBondContact O-N 3.12Å; N243-W300 VanDerWaalsContact OD1-CE2 3.26Å; N243-W300 WeakPolarHBondContact OD1-CZ2 3.45Å; N243-W300 PolarHBondContact OD1-NE1 3.31Å
244	L	87.2	Confident	81.3	Confident	10 Å²	10	36 Å²	36	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-35.6	174.5	-76.7	171.8	0	0	0	112.3	C240 D241 E242 L246 Q248 W300 A304 F307	C240-L244 WeakPolarHBondContact O-CB 3.41Å; C240-L244 VanDerWaalsContact O-CG 3.29Å; C240-L244 WeakPolarHBondContact O-CG 3.41Å; C240-L244 PolarHBondContact O-N 3.2Å; D241-L244 PolarHBondContact O-N 2.75Å; E242-L244 PolarHBondContact O-N 3.15Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L244-Q248 PolarHBondContact O-N 3.44Å; L244-W300 HydrophobicContact CD2-CG 4.41Å; L244-W300 HydrophobicContact CG-CG 4.43Å; L244-A304 HydrophobicContact CD2-CB 4.17Å; L244-F307 HydrophobicContact CB-CE2 4.03Å; L244-F307 HydrophobicContact CD2-CD2 4.3Å; L244-F307 HydrophobicContact CD2-CE2 4.06Å
245	C	82.6	Confident	81	Confident	8 Å²	8	29.7 Å²	29.7	5%	0.054	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-45.3	171.6	-65.1	0	0	0	0	111.1	D241 E242 N243 Q248 A249 L569	D241-C245 PolarHBondContact O-N 2.97Å; D241-C245 PolarHBondContact O-SG 3.18Å; E242-C245 VanDerWaalsContact O-CB 3.3Å; E242-C245 WeakPolarHBondContact O-CB 3.34Å; E242-C245 PolarHBondContact O-N 3.48Å; N243-C245 VanDerWaalsContact C-N 3.31Å; N243-C245 PolarHBondContact O-N 3.38Å; C245-Q248 PolarHBondContact O-N 3.11Å; C245-A249 WeakPolarHBondContact O-CB 3.42Å; C245-A249 PolarHBondContact O-N 3.3Å; C245-L569 HydrophobicContact CB-CD1 4.18Å; C245-L569 HydrophobicContact CB-CG 4.47Å; C245-L569 WeakPolarHBondContact SG-CD1 3.45Å
246	L	85.6	Confident	80.4	Confident	18 Å²	18	30.2 Å²	30.2	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-41.3	-178.6	-69.2	165.8	0	0	0	111.5	T210 L213 F214 S217 E242 N243 L244 A249 C250	T210-L246 HydrophobicContact CG2-CD2 4.04Å; L213-L246 HydrophobicContact CB-CD1 4.2Å; L213-L246 HydrophobicContact CB-CD2 3.89Å; F214-L246 HydrophobicContact CB-CB 3.96Å; F214-L246 HydrophobicContact CD2-CB 4.15Å; S217-L246 VanDerWaalsContact CB-CD1 3.49Å; E242-L246 WeakPolarHBondContact O-CG 3.13Å; E242-L246 PolarHBondContact O-N 3.02Å; E242-L246 VanDerWaalsContact O-N 3.12Å; N243-L246 WeakPolarHBondContact O-CB 3.45Å; N243-L246 PolarHBondContact O-N 3.19Å; N243-L246 VanDerWaalsContact O-N 3.11Å; L244-L246 VanDerWaalsContact C-N 3.33Å; L246-A249 PolarHBondContact O-N 2.91Å; L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 PolarHBondContact O-SG 2.89Å
247	L	86.2	Confident	79.4	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-51.9	173.1	176.6	59.2	0	0	0	111.1	F214 N243 A249 C250 L251 V272 A304	F214-L247 HydrophobicContact CD2-CB 4.09Å; F214-L247 HydrophobicContact CE1-CD1 4.33Å; F214-L247 HydrophobicContact CE2-CB 3.7Å; F214-L247 HydrophobicContact CE2-CD1 4.09Å; F214-L247 HydrophobicContact CE2-CG 4.39Å; F214-L247 HydrophobicContact CZ-CB 4.32Å; F214-L247 HydrophobicContact CZ-CD1 3.81Å; N243-L247 PolarHBondContact O-N 3.12Å; L247-A249 VanDerWaalsContact C-N 3.26Å; L247-A249 PolarHBondContact O-N 3.44Å; L247-C250 WeakPolarHBondContact O-CB 3.33Å; L247-C250 PolarHBondContact O-N 3.31Å; L247-C250 VanDerWaalsContact O-N 3.09Å; L247-L251 HydrophobicContact CD1-CD1 4.25Å; L247-L251 HydrophobicContact CD1-CG 4.18Å; L247-L251 HydrophobicContact CG-CD1 4.14Å; L247-L251 HydrophobicContact CG-CG 4.47Å; L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 2.94Å; L247-V272 HydrophobicContact CD1-CG1 4.35Å; L247-V272 HydrophobicContact CD1-CG2 4.2Å; L247-A304 HydrophobicContact CD2-CB 3.67Å
248	Q	80.6	Confident	78	Confident	22 Å²	22	29.2 Å²	29.2	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-35.1	-179.5	-171.7	174.2	60.6	0	0	112.1	L244 C245 L251 S252 F307 L569	L244-Q248 PolarHBondContact O-N 3.44Å; C245-Q248 PolarHBondContact O-N 3.11Å; Q248-L251 PolarHBondContact O-N 2.97Å; Q248-S252 WeakPolarHBondContact O-CB 3.45Å; Q248-S252 PolarHBondContact O-N 2.89Å; Q248-S252 PolarHBondContact O-OG 3.28Å; Q248-F307 HydrophobicContact CB-CD2 4.07Å; Q248-F307 HydrophobicContact CB-CE2 4.14Å; Q248-L569 HydrophobicContact CB-CD2 4.36Å
249	A	75.1	Confident	76.6	Confident	14 Å²	14	24.1 Å²	24.1	12%	0.116	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-42.2	173.9	0	0	0	0	0	111.6	T210 C245 L246 L247 S252 M253 M573	T210-A249 HydrophobicContact CG2-CB 3.6Å; C245-A249 WeakPolarHBondContact O-CB 3.42Å; C245-A249 PolarHBondContact O-N 3.3Å; L246-A249 PolarHBondContact O-N 2.91Å; L247-A249 VanDerWaalsContact C-N 3.26Å; L247-A249 PolarHBondContact O-N 3.44Å; A249-S252 PolarHBondContact O-N 3.33Å; A249-M253 VanDerWaalsContact O-CG 3.31Å; A249-M253 WeakPolarHBondContact O-CG 3.5Å; A249-M253 PolarHBondContact O-N 2.95Å; A249-M573 HydrophobicContact CB-CE 3.89Å
250	C	78.8	Confident	74.8	Confident	5 Å²	5	25.2 Å²	25.2	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-49.1	172.9	-64.7	0	0	0	0	111.6	L246 L247 S252 M253 S254 L259	L246-C250 PolarHBondContact O-N 3.48Å; L246-C250 PolarHBondContact O-SG 2.89Å; L247-C250 WeakPolarHBondContact O-CB 3.33Å; L247-C250 PolarHBondContact O-N 3.31Å; L247-C250 VanDerWaalsContact O-N 3.09Å; C250-S252 VanDerWaalsContact C-N 3.29Å; C250-S252 PolarHBondContact O-N 3.41Å; C250-M253 PolarHBondContact O-N 2.91Å; C250-M253 VanDerWaalsContact O-N 3.13Å; C250-S254 PolarHBondContact O-N 3.29Å; C250-L259 HydrophobicContact CB-CD1 4.41Å; C250-L259 WeakPolarHBondContact O-CD1 3.26Å
251	L	78.3	Confident	72.7	Confident	14 Å²	14	25.8 Å²	25.8	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-40.3	176.8	-65.4	176.1	0	0	0	112	L247 Q248 M253 S254 L255 F307 L308 H311	L247-L251 HydrophobicContact CD1-CD1 4.25Å; L247-L251 HydrophobicContact CD1-CG 4.18Å; L247-L251 HydrophobicContact CG-CD1 4.14Å; L247-L251 HydrophobicContact CG-CG 4.47Å; L247-L251 WeakPolarHBondContact O-CG 3.47Å; L247-L251 PolarHBondContact O-N 2.94Å; Q248-L251 PolarHBondContact O-N 2.97Å; L251-M253 PolarHBondContact O-N 3.49Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 PolarHBondContact O-OG 2.93Å; L251-L255 WeakPolarHBondContact O-CG 3.47Å; L251-L255 PolarHBondContact O-N 3.48Å; L251-F307 HydrophobicContact CD1-CB 3.9Å; L251-L308 HydrophobicContact CD1-CD2 4.2Å; L251-L308 HydrophobicContact CD2-CD2 3.91Å; L251-H311 HydrophobicContact CB-CB 4.27Å; L251-H311 HydrophobicContact CD1-CB 4.19Å; L251-H311 HydrophobicContact CD2-CB 4.33Å; L251-H311 HydrophobicContact CG-CB 4.5Å; L251-H311 PolarHBondContact O-CD2 2.9Å; L251-H311 PolarHBondContact O-NE2 3.43Å
252	S	75.7	Confident	70.8	Confident	61 Å²	61	23.9 Å²	23.9	43%	0.427	14%	0.144	S	C	.	.	H	α-helix	trans	-65.9	-38.4	176.8	-59.3	0	0	0	0	112.4	Q248 A249 C250	Q248-S252 WeakPolarHBondContact O-CB 3.45Å; Q248-S252 PolarHBondContact O-N 2.89Å; Q248-S252 PolarHBondContact O-OG 3.28Å; A249-S252 PolarHBondContact O-N 3.33Å; C250-S252 VanDerWaalsContact C-N 3.29Å; C250-S252 PolarHBondContact O-N 3.41Å
253	M	71.2	Confident	68.9	Low	8 Å²	8	23 Å²	23	4%	0.039	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-34	176.3	-73.6	-171.4	-55.4	0	0	112.2	G207 T210 P211 A249 C250 L251 L255 I256 G257 R258 L259	G207-M253 WeakPolarHBondContact CA-SD 3.33Å; G207-M253 WeakPolarHBondContact O-CE 3.46Å; G207-M253 VanDerWaalsContact O-SD 3.32Å; T210-M253 HydrophobicContact CG2-CE 3.87Å; P211-M253 HydrophobicContact CG-CE 3.79Å; A249-M253 VanDerWaalsContact O-CG 3.31Å; A249-M253 WeakPolarHBondContact O-CG 3.5Å; A249-M253 PolarHBondContact O-N 2.95Å; C250-M253 PolarHBondContact O-N 2.91Å; C250-M253 VanDerWaalsContact O-N 3.13Å; L251-M253 PolarHBondContact O-N 3.49Å; M253-L255 VanDerWaalsContact C-N 3.33Å; M253-L255 PolarHBondContact O-N 3.42Å; M253-I256 CarbonylContact O-C 2.91Å; M253-I256 WeakPolarHBondContact O-CG1 3.26Å; M253-I256 PolarHBondContact O-N 2.63Å; M253-G257 CarbonylContact O-C 3.52Å; M253-G257 PolarHBondContact O-N 2.95Å; M253-R258 HydrophobicContact CB-CB 4.44Å; M253-R258 PolarHBondContact O-N 3.26Å; M253-L259 HydrophobicContact CB-CD1 3.47Å; M253-L259 VanDerWaalsContact CB-CD1 3.47Å; M253-L259 HydrophobicContact CE-CD1 3.95Å
254	S	74.2	Confident	66.7	Low	41 Å²	41	26.6 Å²	26.6	29%	0.287	18%	0.182	S	C	.	.	H	α-helix	trans	-69	-34.7	179.7	74.3	0	0	0	0	111.4	C250 L251 I256 G257 H311	C250-S254 PolarHBondContact O-N 3.29Å; L251-S254 PolarHBondContact O-N 3.4Å; L251-S254 PolarHBondContact O-OG 2.93Å; S254-I256 PolarHBondContact O-N 3.11Å; S254-G257 PolarHBondContact O-N 2.99Å; S254-H311 PolarHBondContact OG-NE2 3.41Å
255	L	72.2	Confident	64.9	Low	38 Å²	38	26.7 Å²	26.7	20%	0.199	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.5	174	-67.3	169.8	0	0	0	114	L251 M253 H311 E314 A315 R318	L251-L255 WeakPolarHBondContact O-CG 3.47Å; L251-L255 PolarHBondContact O-N 3.48Å; M253-L255 VanDerWaalsContact C-N 3.33Å; M253-L255 PolarHBondContact O-N 3.42Å; L255-H311 VanDerWaalsContact CG-CD2 3.46Å; L255-H311 WeakPolarHBondContact CG-CD2 3.37Å; L255-E314 HydrophobicContact CD1-CB 4.11Å; L255-E314 HydrophobicContact CD1-CG 3.66Å; L255-E314 HydrophobicContact CD2-CB 4.17Å; L255-E314 HydrophobicContact CD2-CG 3.93Å; L255-E314 HydrophobicContact CG-CG 4.36Å; L255-A315 HydrophobicContact CD2-CB 3.76Å; L255-R318 PolarHBondContact O-NH1 2.67Å
256	I	65.6	Low	63.3	Low	60 Å²	60	29.1 Å²	29.1	31%	0.308	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	10.2	176	61.5	168	0	0	0	112.1	M253 S254 R258 Y585	M253-I256 CarbonylContact O-C 2.91Å; M253-I256 WeakPolarHBondContact O-CG1 3.26Å; M253-I256 PolarHBondContact O-N 2.63Å; S254-I256 PolarHBondContact O-N 3.11Å; I256-R258 VanDerWaalsContact C-N 3.3Å; I256-R258 HydrophobicContact CD1-CB 4.36Å; I256-R258 HydrophobicContact CD1-CG 3.71Å; I256-R258 HydrophobicContact CG1-CB 4.3Å; I256-R258 HydrophobicContact CG1-CG 3.82Å; I256-R258 PolarHBondContact O-N 3.42Å; I256-Y585 HydrophobicContact CD1-CD1 4.07Å; I256-Y585 HydrophobicContact CD1-CE1 4.28Å
257	G	59.5	Low	61.6	Low	19 Å²	19	28.8 Å²	28.8	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-3.4	178.9	0	0	0	0	0	116.5	M253 S254 L259 F697	M253-G257 CarbonylContact O-C 3.52Å; M253-G257 PolarHBondContact O-N 2.95Å; S254-G257 PolarHBondContact O-N 2.99Å; G257-L259 PolarHBondContact O-N 2.9Å; G257-F697 VanDerWaalsContact CA-CZ 3.5Å; G257-F697 WeakPolarHBondContact O-CE1 3.19Å; G257-F697 WeakPolarHBondContact O-CZ 3.45Å
258	R	51.5	Low	60.2	Low	34 Å²	34	30.6 Å²	30.6	13%	0.128	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	15.1	-168.7	-57.6	-66.2	-86.3	-137.2	6	115.7	M253 I256 I588	M253-R258 HydrophobicContact CB-CB 4.44Å; M253-R258 PolarHBondContact O-N 3.26Å; I256-R258 VanDerWaalsContact C-N 3.3Å; I256-R258 HydrophobicContact CD1-CB 4.36Å; I256-R258 HydrophobicContact CD1-CG 3.71Å; I256-R258 HydrophobicContact CG1-CB 4.3Å; I256-R258 HydrophobicContact CG1-CG 3.82Å; I256-R258 PolarHBondContact O-N 3.42Å; R258-I588 PolarHBondContact NH1-O 3.22Å; R258-I588 VanDerWaalsContact NH1-O 3.12Å
259	L	51.7	Low	59.7	Low	16 Å²	16	30.1 Å²	30.1	8%	0.084	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-32.2	-173.9	-127.7	73.3	0	0	0	113.9	C250 M253 G257 V261 S262 S267	C250-L259 HydrophobicContact CB-CD1 4.41Å; C250-L259 WeakPolarHBondContact O-CD1 3.26Å; M253-L259 HydrophobicContact CB-CD1 3.47Å; M253-L259 VanDerWaalsContact CB-CD1 3.47Å; M253-L259 HydrophobicContact CE-CD1 3.95Å; G257-L259 PolarHBondContact O-N 2.9Å; L259-V261 PolarHBondContact O-N 3.12Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3.48Å; L259-S267 WeakPolarHBondContact CD2-O 3.34Å; L259-S267 WeakPolarHBondContact CD2-OG 3.47Å; L259-S267 WeakPolarHBondContact CG-OG 3.43Å; L259-S267 PolarHBondContact O-OG 3.05Å
260	S	47.6	Very low	59.9	Low	68 Å²	68	35.2 Å²	35.2	48%	0.476	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-6.7	-175	53.6	0	0	0	0	115
261	V	42.7	Very low	60.2	Low	16 Å²	16	35 Å²	35	10%	0.097	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.9	-174.7	179.7	0	0	0	0	113.2	M208 L259 G263 M593 V619	M208-V261 HydrophobicContact CG-CG1 4.24Å; M208-V261 HydrophobicContact SD-CG1 4.41Å; L259-V261 PolarHBondContact O-N 3.12Å; V261-G263 PolarHBondContact O-N 3.37Å; V261-M593 HydrophobicContact CG2-CE 3.29Å; V261-M593 HydrophobicContact CG2-CG 3.62Å; V261-M593 HydrophobicContact CG2-SD 3.41Å; V261-M593 WeakPolarHBondContact CG2-SD 3.4Å; V261-V619 HydrophobicContact CB-CG2 4.24Å; V261-V619 HydrophobicContact CG1-CG2 3.68Å; V261-V619 HydrophobicContact CG2-CG2 4.14Å
262	S	45.2	Very low	60.7	Low	9 Å²	9	35 Å²	35	6%	0.063	23%	0.225	C	C	.	.	S	Bend	trans	-80.3	78.4	-174.8	63.2	0	0	0	0	112.9	P211 L259 G264 V265	P211-S262 WeakPolarHBondContact CB-OG 3.47Å; P211-S262 WeakPolarHBondContact CG-OG 3.42Å; L259-S262 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-OG 3.48Å; S262-G264 PolarHBondContact O-N 3.14Å; S262-V265 PolarHBondContact O-N 3Å; S262-V265 PolarHBondContact OG-O 3.29Å
263	G	44.5	Very low	61.4	Low	21 Å²	21	32.7 Å²	32.7	22%	0.216	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	29.4	57.8	150.9	0	0	0	0	0	118.2	V261 V265	V261-G263 PolarHBondContact O-N 3.37Å; G263-V265 PolarHBondContact O-N 3.14Å
264	G	45.4	Very low	62.3	Low	74 Å²	74	34.4 Å²	34.4	76%	0.763	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.4	3.9	174.3	0	0	0	0	0	116.6	S262	S262-G264 PolarHBondContact O-N 3.14Å
265	V	48.8	Very low	63.2	Low	12 Å²	12	32.6 Å²	32.6	7%	0.073	20%	0.203	C	C	.	.			trans	-94.1	114.8	170.2	171.2	0	0	0	0	108.3	N154 P211 K212 V215 S262 G263 S267	N154-V265 WeakPolarHBondContact OD1-CG1 3.36Å; P211-V265 HydrophobicContact CB-CG1 4.23Å; K212-V265 HydrophobicContact CB-CG2 4.41Å; V215-V265 HydrophobicContact CG2-CG1 3.93Å; S262-V265 PolarHBondContact O-N 3Å; S262-V265 PolarHBondContact OG-O 3.29Å; G263-V265 PolarHBondContact O-N 3.14Å; V265-S267 PolarHBondContact O-N 3.09Å
266	D	49.6	Very low	64.2	Low	60 Å²	60	30.9 Å²	30.9	32%	0.321	19%	0.194	S	C	.	.			trans	-67.6	76.8	170.3	177.6	14.6	0	0	0	109	T268 K270 T271	D266-T268 PolarHBondContact O-N 3.4Å; D266-T268 VanDerWaalsContact OD1-CB 3.28Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.47Å; D266-T268 PolarHBondContact OD1-OG1 2.88Å; D266-K270 WeakPolarHBondContact OD2-CB 3.49Å; D266-K270 WeakPolarHBondContact OD2-CD 3.23Å; D266-T271 WeakPolarHBondContact O-CB 3.2Å; D266-T271 PolarHBondContact O-OG1 2.98Å
267	S	49	Very low	65.5	Low	11 Å²	11	28 Å²	28	8%	0.077	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.3	-172.4	51.9	0	0	0	0	113.5	P211 L259 V265	P211-S267 VanDerWaalsContact CB-CB 3.47Å; L259-S267 WeakPolarHBondContact CD2-O 3.34Å; L259-S267 WeakPolarHBondContact CD2-OG 3.47Å; L259-S267 WeakPolarHBondContact CG-OG 3.43Å; L259-S267 PolarHBondContact O-OG 3.05Å; V265-S267 PolarHBondContact O-N 3.09Å
268	T	56.3	Low	67.3	Low	40 Å²	40	27.2 Å²	27.2	25%	0.245	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-177.8	179.4	69.5	0	0	0	0	112.7	D266 K270 T271	D266-T268 PolarHBondContact O-N 3.4Å; D266-T268 VanDerWaalsContact OD1-CB 3.28Å; D266-T268 WeakPolarHBondContact OD1-CB 3.47Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.47Å; D266-T268 PolarHBondContact OD1-OG1 2.88Å; T268-K270 PolarHBondContact O-N 3.48Å; T268-K270 PolarHBondContact OG1-N 2.81Å; T268-T271 PolarHBondContact O-N 3.17Å; T268-T271 VanDerWaalsContact O-N 3.11Å
269	G	71.8	Confident	69.3	Low	12 Å²	12	25.6 Å²	25.6	12%	0.124	16%	0.164	C	C	.	.	H	α-helix	trans	-48.6	-26.4	172.7	0	0	0	0	0	113.8	V272 V273 V414	G269-V272 PolarHBondContact O-N 3.05Å; G269-V273 WeakPolarHBondContact O-CB 3.33Å; G269-V273 VanDerWaalsContact O-CG2 3.26Å; G269-V273 WeakPolarHBondContact O-CG2 3.41Å; G269-V273 PolarHBondContact O-N 3.25Å; G269-V414 WeakPolarHBondContact O-CG2 3.39Å
270	K	79.1	Confident	71.3	Confident	121 Å²	121	24.8 Å²	24.8	53%	0.526	16%	0.16	S	C	.	.	H	α-helix	trans	-62.7	-46.5	177.3	-69.2	174.5	175.1	178.5	0	113.5	D266 T268 V272 V273 K274	D266-K270 WeakPolarHBondContact OD2-CB 3.49Å; D266-K270 WeakPolarHBondContact OD2-CD 3.23Å; T268-K270 PolarHBondContact O-N 3.48Å; T268-K270 PolarHBondContact OG1-N 2.81Å; K270-V272 VanDerWaalsContact C-N 3.34Å; K270-V273 PolarHBondContact O-N 2.8Å; K270-K274 WeakPolarHBondContact O-CG 3.41Å; K270-K274 PolarHBondContact O-N 3.48Å
271	T	84.9	Confident	73.6	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-66.7	-38.5	176.9	-79.8	0	0	0	0	111.4	N154 L157 F214 V215 D266 T268 V273 K274 V275	N154-T271 PolarHBondContact ND2-OG1 2.75Å; L157-T271 HydrophobicContact CD2-CG2 4.12Å; F214-T271 HydrophobicContact CE1-CG2 4.33Å; V215-T271 HydrophobicContact CG2-CG2 3.53Å; D266-T271 WeakPolarHBondContact O-CB 3.2Å; D266-T271 PolarHBondContact O-OG1 2.98Å; T268-T271 PolarHBondContact O-N 3.17Å; T268-T271 VanDerWaalsContact O-N 3.11Å; T271-V273 VanDerWaalsContact C-N 3.33Å; T271-V273 PolarHBondContact O-N 3.31Å; T271-K274 PolarHBondContact O-N 3.08Å; T271-V275 HydrophobicContact CG2-CG2 4.35Å; T271-V275 WeakPolarHBondContact O-CG2 3.47Å; T271-V275 PolarHBondContact O-N 2.99Å
272	V	88	Confident	76.1	Confident	13 Å²	13	21.4 Å²	21.4	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-42.9	175.6	-177.5	0	0	0	0	110.7	F214 L247 G269 K270 V275 F276 L308 V414	F214-V272 HydrophobicContact CE1-CG2 4.44Å; L247-V272 HydrophobicContact CD1-CG1 4.35Å; L247-V272 HydrophobicContact CD1-CG2 4.2Å; G269-V272 PolarHBondContact O-N 3.05Å; K270-V272 VanDerWaalsContact C-N 3.34Å; V272-V275 PolarHBondContact O-N 3.24Å; V272-F276 VanDerWaalsContact O-CB 3.28Å; V272-F276 WeakPolarHBondContact O-CB 3.41Å; V272-F276 PolarHBondContact O-N 3.03Å; V272-L308 HydrophobicContact CG1-CD2 4.27Å; V272-V414 HydrophobicContact CB-CG1 4.19Å; V272-V414 HydrophobicContact CB-CG2 4.5Å; V272-V414 HydrophobicContact CG1-CG1 3.62Å
273	V	90	Very high	78.3	Confident	13 Å²	13	21.6 Å²	21.6	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-45.9	173.5	169.5	0	0	0	0	110.6	G269 K270 T271 F276 S277 I413 V414 L493	G269-V273 WeakPolarHBondContact O-CB 3.33Å; G269-V273 VanDerWaalsContact O-CG2 3.26Å; G269-V273 WeakPolarHBondContact O-CG2 3.41Å; G269-V273 PolarHBondContact O-N 3.25Å; K270-V273 PolarHBondContact O-N 2.8Å; T271-V273 VanDerWaalsContact C-N 3.33Å; T271-V273 PolarHBondContact O-N 3.31Å; V273-F276 WeakPolarHBondContact O-CB 3.38Å; V273-F276 PolarHBondContact O-N 3.43Å; V273-S277 VanDerWaalsContact O-CB 3.31Å; V273-S277 WeakPolarHBondContact O-CB 3.24Å; V273-S277 PolarHBondContact O-N 2.94Å; V273-S277 PolarHBondContact O-OG 2.91Å; V273-I413 HydrophobicContact CG2-CG2 4.05Å; V273-V414 HydrophobicContact CG2-CB 4.31Å; V273-V414 HydrophobicContact CG2-CG1 4.43Å; V273-V414 HydrophobicContact CG2-CG2 4.05Å; V273-L493 HydrophobicContact CG1-CD1 4.1Å
274	K	90.8	Very high	80.6	Confident	44 Å²	44	24.6 Å²	24.6	19%	0.191	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-45	179.1	-73.3	170.3	173.4	175.2	0	112.8	L157 E158 K270 T271 S277 L278	L157-K274 HydrophobicContact CD2-CB 3.75Å; L157-K274 HydrophobicContact CG-CB 4.28Å; E158-K274 HydrophobicContact CG-CD 3.93Å; E158-K274 WeakPolarHBondContact OE1-CD 3.32Å; E158-K274 WeakPolarHBondContact OE1-CE 3.23Å; E158-K274 IonicContact OE1-NZ 3.83Å; E158-K274 PolarHBondContact OE1-NZ 2.93Å; K270-K274 WeakPolarHBondContact O-CG 3.41Å; K270-K274 PolarHBondContact O-N 3.48Å; T271-K274 PolarHBondContact O-N 3.08Å; K274-S277 PolarHBondContact O-N 3.2Å; K274-L278 PolarHBondContact O-N 2.71Å
275	V	93.2	Very high	82.8	Confident	2 Å²	2	23 Å²	23	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-48.4	173.8	169.6	0	0	0	0	110.5	L157 F214 T271 V272 S277 L278 L279 W300	L157-V275 HydrophobicContact CD1-CG2 4.12Å; L157-V275 HydrophobicContact CD2-CG2 3.83Å; F214-V275 HydrophobicContact CE1-CG2 4.05Å; F214-V275 HydrophobicContact CZ-CB 4.32Å; F214-V275 HydrophobicContact CZ-CG1 4.08Å; F214-V275 HydrophobicContact CZ-CG2 4.15Å; T271-V275 HydrophobicContact CG2-CG2 4.35Å; T271-V275 WeakPolarHBondContact O-CG2 3.47Å; T271-V275 PolarHBondContact O-N 2.99Å; V272-V275 PolarHBondContact O-N 3.24Å; V275-S277 VanDerWaalsContact C-N 3.3Å; V275-S277 PolarHBondContact O-N 2.93Å; V275-L278 PolarHBondContact O-N 3.37Å; V275-L279 HydrophobicContact CG1-CD1 3.99Å; V275-L279 WeakPolarHBondContact O-CG 3.42Å; V275-L279 PolarHBondContact O-N 3.25Å; V275-W300 HydrophobicContact CG1-CH2 4.2Å
276	F	93.1	Very high	84.9	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-58.2	-43.7	176	169.9	-98.3	0	0	0	112	V272 V273 L278 L279 A280 M301 V417 F418 W421	V272-F276 VanDerWaalsContact O-CB 3.28Å; V272-F276 WeakPolarHBondContact O-CB 3.41Å; V272-F276 PolarHBondContact O-N 3.03Å; V273-F276 WeakPolarHBondContact O-CB 3.38Å; V273-F276 PolarHBondContact O-N 3.43Å; F276-L278 PolarHBondContact O-N 3.45Å; F276-L279 PolarHBondContact O-N 3.24Å; F276-A280 HydrophobicContact CE1-CB 4.22Å; F276-A280 HydrophobicContact CZ-CB 4.23Å; F276-A280 VanDerWaalsContact O-CB 3.26Å; F276-A280 WeakPolarHBondContact O-CB 3.29Å; F276-A280 PolarHBondContact O-N 3.43Å; F276-M301 HydrophobicContact CD2-CE 3.7Å; F276-M301 HydrophobicContact CE2-CE 3.2Å; F276-M301 HydrophobicContact CZ-CE 3.94Å; F276-V417 HydrophobicContact CD1-CG1 3.68Å; F276-V417 HydrophobicContact CE1-CG1 3.49Å; F276-V417 VanDerWaalsContact CE1-CG1 3.49Å; F276-V417 HydrophobicContact CZ-CG1 4.5Å; F276-F418 HydrophobicContact CB-CE2 3.73Å; F276-F418 HydrophobicContact CB-CZ 4.07Å; F276-F418 HydrophobicContact CD1-CD2 4.39Å; F276-F418 HydrophobicContact CD1-CE2 4.26Å; F276-F418 AromaticContact CD2-CD1 3.97Å; F276-F418 HydrophobicContact CD2-CD1 3.97Å; F276-F418 AromaticContact CD2-CD2 3.79Å; F276-F418 HydrophobicContact CD2-CD2 3.79Å; F276-F418 AromaticContact CD2-CE1 3.43Å; F276-F418 HydrophobicContact CD2-CE1 3.43Å; F276-F418 VanDerWaalsContact CD2-CE1 3.43Å; F276-F418 AromaticContact CD2-CE2 3.22Å; F276-F418 HydrophobicContact CD2-CE2 3.22Å; F276-F418 HydrophobicContact CD2-CG 4.16Å; F276-F418 AromaticContact CD2-CZ 3.04Å; F276-F418 HydrophobicContact CD2-CZ 3.04Å; F276-F418 AromaticContact CE2-CD1 3.53Å; F276-F418 HydrophobicContact CE2-CD1 3.53Å; F276-F418 AromaticContact CE2-CD2 3.86Å; F276-F418 HydrophobicContact CE2-CD2 3.86Å; F276-F418 AromaticContact CE2-CE1 3.41Å; F276-F418 HydrophobicContact CE2-CE1 3.41Å; F276-F418 VanDerWaalsContact CE2-CE1 3.41Å; F276-F418 AromaticContact CE2-CE2 3.75Å; F276-F418 HydrophobicContact CE2-CE2 3.75Å; F276-F418 AromaticContact CE2-CG 3.79Å; F276-F418 HydrophobicContact CE2-CG 3.79Å; F276-F418 AromaticContact CE2-CZ 3.55Å; F276-F418 HydrophobicContact CE2-CZ 3.55Å; F276-F418 HydrophobicContact CG-CD2 4Å; F276-F418 HydrophobicContact CG-CE1 4.47Å; F276-F418 AromaticContact CG-CE2 3.46Å; F276-F418 HydrophobicContact CG-CE2 3.46Å; F276-F418 VanDerWaalsContact CG-CE2 3.46Å; F276-F418 AromaticContact CG-CZ 3.76Å; F276-F418 HydrophobicContact CG-CZ 3.76Å; F276-F418 HydrophobicContact CZ-CD1 4.27Å; F276-F418 HydrophobicContact CZ-CD2 4.25Å; F276-F418 HydrophobicContact CZ-CE2 4.48Å; F276-F418 HydrophobicContact CZ-CG 4.17Å; F276-W421 HydrophobicContact CE1-CB 4.14Å; F276-W421 HydrophobicContact CE1-CG 4.33Å; F276-W421 HydrophobicContact CE2-CD2 4Å; F276-W421 AromaticContact CE2-CE3 3.77Å; F276-W421 HydrophobicContact CE2-CE3 3.77Å; F276-W421 HydrophobicContact CE2-CG 4.41Å; F276-W421 HydrophobicContact CE2-CZ3 4.27Å; F276-W421 HydrophobicContact CZ-CB 3.6Å; F276-W421 AromaticContact CZ-CD2 3.58Å; F276-W421 HydrophobicContact CZ-CD2 3.58Å; F276-W421 AromaticContact CZ-CE3 3.71Å; F276-W421 HydrophobicContact CZ-CE3 3.71Å; F276-W421 AromaticContact CZ-CG 3.53Å; F276-W421 HydrophobicContact CZ-CG 3.53Å
277	S	93.4	Very high	86.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-43.7	-177.8	-55.7	0	0	0	0	111.4	V273 K274 V275 L281 L493 I496	V273-S277 VanDerWaalsContact O-CB 3.31Å; V273-S277 WeakPolarHBondContact O-CB 3.24Å; V273-S277 PolarHBondContact O-N 2.94Å; V273-S277 PolarHBondContact O-OG 2.91Å; K274-S277 PolarHBondContact O-N 3.2Å; V275-S277 VanDerWaalsContact C-N 3.3Å; V275-S277 PolarHBondContact O-N 2.93Å; S277-L281 WeakPolarHBondContact O-CB 3.43Å; S277-L281 PolarHBondContact O-N 2.96Å; S277-L493 WeakPolarHBondContact OG-CD2 3.13Å; S277-I496 VanDerWaalsContact O-CD1 3.25Å; S277-I496 WeakPolarHBondContact O-CD1 3.39Å
278	L	96.1	Very high	88.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-47.6	173.2	177.4	65	0	0	0	111.4	L157 V160 Y161 F164 L219 F222 K274 V275 F276 L281 L282	L157-L278 HydrophobicContact CD1-CD2 4.11Å; V160-L278 HydrophobicContact CG1-CD1 4.01Å; V160-L278 HydrophobicContact CG1-CD2 3.86Å; Y161-L278 HydrophobicContact CD2-CB 4.26Å; F164-L278 HydrophobicContact CB-CD1 4.32Å; F164-L278 HydrophobicContact CD1-CD1 4.04Å; L219-L278 HydrophobicContact CD2-CD2 3.84Å; F222-L278 HydrophobicContact CB-CD2 4.18Å; F222-L278 HydrophobicContact CD2-CD1 3.66Å; F222-L278 HydrophobicContact CD2-CD2 3.85Å; F222-L278 HydrophobicContact CD2-CG 3.56Å; F222-L278 HydrophobicContact CE2-CD1 3.47Å; F222-L278 VanDerWaalsContact CE2-CD1 3.47Å; F222-L278 HydrophobicContact CE2-CD2 4.48Å; F222-L278 HydrophobicContact CE2-CG 3.91Å; F222-L278 HydrophobicContact CG-CD1 4.4Å; F222-L278 HydrophobicContact CG-CD2 3.99Å; F222-L278 HydrophobicContact CG-CG 4.22Å; F222-L278 HydrophobicContact CZ-CD1 4.09Å; K274-L278 PolarHBondContact O-N 2.71Å; V275-L278 PolarHBondContact O-N 3.37Å; F276-L278 PolarHBondContact O-N 3.45Å; L278-L281 PolarHBondContact O-N 3.36Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 PolarHBondContact O-N 2.87Å
279	L	94.8	Very high	90.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-73	-34	-177.5	-66.1	179.3	0	0	0	113.2	F222 V275 F276 L282 L283 I297 W300	F222-L279 HydrophobicContact CB-CD2 4.4Å; V275-L279 HydrophobicContact CG1-CD1 3.99Å; V275-L279 WeakPolarHBondContact O-CG 3.42Å; V275-L279 PolarHBondContact O-N 3.25Å; F276-L279 PolarHBondContact O-N 3.24Å; L279-L282 HydrophobicContact CD2-CD2 4.03Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 2.91Å; L279-L283 WeakPolarHBondContact O-CB 3.15Å; L279-L283 PolarHBondContact O-N 2.91Å; L279-I297 HydrophobicContact CB-CD1 4.16Å; L279-I297 HydrophobicContact CD2-CD1 4.16Å; L279-I297 WeakPolarHBondContact O-CD1 3.35Å; L279-W300 HydrophobicContact CD1-CD2 4.18Å; L279-W300 HydrophobicContact CD1-CE3 3.65Å; L279-W300 HydrophobicContact CD1-CH2 3.47Å; L279-W300 VanDerWaalsContact CD1-CH2 3.47Å; L279-W300 HydrophobicContact CD1-CZ2 3.96Å; L279-W300 HydrophobicContact CD1-CZ3 3.29Å
280	A	94.1	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-39.7	174.2	0	0	0	0	0	111.2	F276 L283 K284 M301 I496	F276-A280 HydrophobicContact CE1-CB 4.22Å; F276-A280 HydrophobicContact CZ-CB 4.23Å; F276-A280 VanDerWaalsContact O-CB 3.26Å; F276-A280 WeakPolarHBondContact O-CB 3.29Å; F276-A280 PolarHBondContact O-N 3.43Å; A280-L283 PolarHBondContact O-N 2.77Å; A280-K284 PolarHBondContact O-N 2.85Å; A280-M301 HydrophobicContact CB-CE 3.84Å; A280-I496 HydrophobicContact CB-CD1 4.31Å; A280-I496 HydrophobicContact CB-CG2 3.85Å
281	L	94	Very high	91.2	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-41.7	171.6	-176	66	0	0	0	111.4	F164 R165 C168 S277 L278 L283 K284 W285 I496	F164-L281 HydrophobicContact CD1-CB 4.44Å; F164-L281 HydrophobicContact CD1-CD2 3.59Å; F164-L281 HydrophobicContact CD1-CG 3.94Å; F164-L281 HydrophobicContact CE1-CB 4.22Å; F164-L281 HydrophobicContact CE1-CD2 3.95Å; F164-L281 HydrophobicContact CE1-CG 3.76Å; F164-L281 HydrophobicContact CG-CD2 4.49Å; R165-L281 HydrophobicContact CG-CD2 3.8Å; C168-L281 HydrophobicContact CB-CD1 4.29Å; S277-L281 WeakPolarHBondContact O-CB 3.43Å; S277-L281 PolarHBondContact O-N 2.96Å; L278-L281 PolarHBondContact O-N 3.36Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.9Å; L281-K284 PolarHBondContact O-N 3.3Å; L281-W285 PolarHBondContact O-N 2.64Å; L281-I496 HydrophobicContact CB-CD1 4.37Å
282	L	95.1	Very high	91	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-41.4	176.5	177	62.2	0	0	0	111.2	F164 F222 F225 L278 L279 K284 W285 L286 I297	F164-L282 HydrophobicContact CE1-CB 4Å; F164-L282 HydrophobicContact CE1-CD1 4.34Å; F164-L282 HydrophobicContact CZ-CB 4.37Å; F164-L282 HydrophobicContact CZ-CD1 3.9Å; F222-L282 HydrophobicContact CD2-CB 4.14Å; F222-L282 HydrophobicContact CD2-CD1 4.33Å; F222-L282 HydrophobicContact CD2-CD2 3.52Å; F222-L282 HydrophobicContact CD2-CG 4.2Å; F222-L282 HydrophobicContact CE2-CB 3.97Å; F222-L282 HydrophobicContact CE2-CD1 3.93Å; F222-L282 HydrophobicContact CE2-CD2 3.97Å; F222-L282 HydrophobicContact CE2-CG 4.16Å; F222-L282 HydrophobicContact CG-CD2 4.3Å; F225-L282 HydrophobicContact CB-CD1 4.4Å; F225-L282 HydrophobicContact CB-CD2 3.43Å; F225-L282 VanDerWaalsContact CB-CD2 3.43Å; F225-L282 HydrophobicContact CB-CG 4.25Å; F225-L282 HydrophobicContact CD2-CD2 4.17Å; F225-L282 HydrophobicContact CG-CD2 4.04Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 PolarHBondContact O-N 2.87Å; L279-L282 HydrophobicContact CD2-CD2 4.03Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 2.91Å; L282-K284 PolarHBondContact O-N 2.89Å; L282-W285 HydrophobicContact CD1-CE3 4.32Å; L282-W285 CarbonylContact O-C 3.53Å; L282-W285 WeakPolarHBondContact O-CB 3.39Å; L282-W285 PolarHBondContact O-N 3.49Å; L282-W285 VanDerWaalsContact O-N 3.15Å; L282-L286 HydrophobicContact CD1-CD1 4.29Å; L282-L286 HydrophobicContact CD1-CD2 4.48Å; L282-L286 HydrophobicContact CD1-CG 4.06Å; L282-L286 HydrophobicContact CG-CD1 3.96Å; L282-L286 HydrophobicContact CG-CG 4.2Å; L282-L286 WeakPolarHBondContact O-CB 3.41Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 2.85Å; L282-I297 HydrophobicContact CB-CD1 4.17Å; L282-I297 HydrophobicContact CD2-CD1 3.73Å; L282-I297 HydrophobicContact CG-CD1 3.96Å
283	L	93.4	Very high	90.9	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-47.1	174.1	170.2	62.9	0	0	0	111.6	L279 A280 L281 W285 L286 D287 V294 I297 M301 W421	L279-L283 WeakPolarHBondContact O-CB 3.15Å; L279-L283 PolarHBondContact O-N 2.91Å; A280-L283 PolarHBondContact O-N 2.77Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.9Å; L283-W285 VanDerWaalsContact C-N 3.26Å; L283-W285 PolarHBondContact O-N 2.96Å; L283-L286 PolarHBondContact O-N 2.82Å; L283-D287 PolarHBondContact O-N 3.27Å; L283-V294 HydrophobicContact CD1-CB 4.33Å; L283-V294 HydrophobicContact CD1-CG1 3.69Å; L283-V294 HydrophobicContact CD1-CG2 4.34Å; L283-I297 HydrophobicContact CB-CD1 4.39Å; L283-I297 HydrophobicContact CB-CG2 4.21Å; L283-I297 HydrophobicContact CD1-CG2 3.69Å; L283-I297 HydrophobicContact CG-CG2 4.47Å; L283-M301 HydrophobicContact CB-SD 4.48Å; L283-M301 HydrophobicContact CD2-SD 3.83Å; L283-W421 HydrophobicContact CD2-CH2 4.48Å; L283-W421 HydrophobicContact CD2-CZ2 3.62Å
284	K	91.6	Very high	90.8	Very high	84 Å²	84	43 Å²	43	37%	0.365	21%	0.212	S	C	.	.	H	α-helix	trans	-59.9	-37.8	175.2	-70.1	-170	-177.1	-167.2	0	112	A280 L281 L282 D495 I496	A280-K284 PolarHBondContact O-N 2.85Å; L281-K284 PolarHBondContact O-N 3.3Å; L282-K284 PolarHBondContact O-N 2.89Å; K284-D495 PolarHBondContact NZ-O 2.95Å; K284-I496 PolarHBondContact NZ-O 3.14Å
285	W	92.8	Very high	90.5	Very high	41 Å²	41	46.8 Å²	46.8	16%	0.155	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-43.2	176.6	-174.5	94.8	0	0	0	112	F164 Y226 L281 L282 L283 D287 K288 N289	F164-W285 HydrophobicContact CE1-CB 4.47Å; F164-W285 HydrophobicContact CE2-CD2 4.42Å; F164-W285 HydrophobicContact CE2-CG 4.18Å; F164-W285 HydrophobicContact CZ-CB 3.7Å; F164-W285 HydrophobicContact CZ-CD2 4.27Å; F164-W285 AromaticContact CZ-CG 3.77Å; F164-W285 HydrophobicContact CZ-CG 3.77Å; Y226-W285 HydrophobicContact CD2-CE3 4.45Å; Y226-W285 HydrophobicContact CD2-CH2 4.03Å; Y226-W285 HydrophobicContact CD2-CZ2 4.28Å; Y226-W285 HydrophobicContact CD2-CZ3 4.13Å; Y226-W285 HydrophobicContact CE2-CH2 4.05Å; Y226-W285 AromaticContact CE2-CZ2 3.88Å; Y226-W285 HydrophobicContact CE2-CZ2 3.88Å; L281-W285 PolarHBondContact O-N 2.64Å; L282-W285 HydrophobicContact CD1-CE3 4.32Å; L282-W285 CarbonylContact O-C 3.53Å; L282-W285 WeakPolarHBondContact O-CB 3.39Å; L282-W285 PolarHBondContact O-N 3.49Å; L282-W285 VanDerWaalsContact O-N 3.15Å; L283-W285 VanDerWaalsContact C-N 3.26Å; L283-W285 PolarHBondContact O-N 2.96Å; W285-D287 PolarHBondContact O-N 2.91Å; W285-K288 PolarHBondContact O-N 2.85Å; W285-N289 HydrophobicContact CD2-CB 4.06Å; W285-N289 HydrophobicContact CE3-CB 3.96Å; W285-N289 HydrophobicContact CH2-CB 3.78Å; W285-N289 HydrophobicContact CZ2-CB 3.88Å; W285-N289 HydrophobicContact CZ3-CB 3.82Å; W285-N289 PolarHBondContact NE1-ND2 2.88Å; W285-N289 WeakPolarHBondContact O-CB 3.3Å; W285-N289 PolarHBondContact O-N 2.96Å; W285-N289 PolarHBondContact O-ND2 2.84Å
286	L	92	Very high	90.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-36.8	178.5	-72.3	172.6	0	0	0	112.1	F225 L282 L283 K288 N289 D290 K291 K293 V294 I297	F225-L286 HydrophobicContact CB-CD1 4.28Å; F225-L286 HydrophobicContact CD1-CD1 3.93Å; F225-L286 HydrophobicContact CG-CD1 4.34Å; L282-L286 HydrophobicContact CD1-CD1 4.29Å; L282-L286 HydrophobicContact CD1-CD2 4.48Å; L282-L286 HydrophobicContact CD1-CG 4.06Å; L282-L286 HydrophobicContact CG-CD1 3.96Å; L282-L286 HydrophobicContact CG-CG 4.2Å; L282-L286 WeakPolarHBondContact O-CB 3.41Å; L282-L286 VanDerWaalsContact O-CG 3.26Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 2.85Å; L283-L286 PolarHBondContact O-N 2.82Å; L286-K288 PolarHBondContact O-N 3.4Å; L286-N289 PolarHBondContact O-N 3.41Å; L286-D290 HydrophobicContact CD2-CB 3.87Å; L286-D290 CarbonylContact O-C 3.53Å; L286-D290 WeakPolarHBondContact O-CA 3.5Å; L286-D290 PolarHBondContact O-N 2.84Å; L286-K291 PolarHBondContact O-N 3.11Å; L286-K293 HydrophobicContact CD1-CB 4.2Å; L286-K293 HydrophobicContact CD2-CB 4.23Å; L286-K293 HydrophobicContact CD2-CD 4.33Å; L286-V294 HydrophobicContact CB-CG2 3.89Å; L286-I297 HydrophobicContact CD1-CD1 4.36Å; L286-I297 HydrophobicContact CD1-CG2 4.09Å
287	D	90	Very high	90	Very high	85 Å²	85	47.4 Å²	47.4	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-33.7	176	-176.1	59.7	0	0	0	112.5	L283 W285 K291 V294	L283-D287 PolarHBondContact O-N 3.27Å; W285-D287 PolarHBondContact O-N 2.91Å; D287-K291 WeakPolarHBondContact O-CE 3.23Å; D287-K291 WeakPolarHBondContact O-CG 3.29Å; D287-V294 HydrophobicContact CB-CG2 4.47Å
288	K	89.8	Confident	89.8	Confident	178 Å²	178	47.7 Å²	47.7	77%	0.774	24%	0.238	S	C	*	.	H	α-helix	trans	-85	-28.9	176.6	-63.7	179.9	-177.3	177.6	0	113.8	W285 L286	W285-K288 PolarHBondContact O-N 2.85Å; L286-K288 PolarHBondContact O-N 3.4Å
289	N	88.8	Confident	89.4	Confident	97 Å²	97	50.5 Å²	50.5	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-117.2	-31.1	-166.5	-67.7	-82.8	0	0	0	115.3	W285 L286	W285-N289 HydrophobicContact CD2-CB 4.06Å; W285-N289 HydrophobicContact CE3-CB 3.96Å; W285-N289 HydrophobicContact CH2-CB 3.78Å; W285-N289 HydrophobicContact CZ2-CB 3.88Å; W285-N289 HydrophobicContact CZ3-CB 3.82Å; W285-N289 PolarHBondContact NE1-ND2 2.88Å; W285-N289 WeakPolarHBondContact O-CB 3.3Å; W285-N289 PolarHBondContact O-N 2.96Å; W285-N289 PolarHBondContact O-ND2 2.84Å; L286-N289 PolarHBondContact O-N 3.41Å
290	D	85.3	Confident	89.2	Confident	41 Å²	41	50.8 Å²	50.8	22%	0.219	25%	0.252	C	S	.	.			trans	-156.9	73.3	-173.3	-166.3	-3.2	0	0	0	112.4	L286 P292 K293	L286-D290 HydrophobicContact CD2-CB 3.87Å; L286-D290 CarbonylContact O-C 3.53Å; L286-D290 WeakPolarHBondContact O-CA 3.5Å; L286-D290 PolarHBondContact O-N 2.84Å; D290-P292 VanDerWaalsContact C-CD 3.42Å; D290-P292 WeakPolarHBondContact OD1-CD 3.34Å; D290-K293 PolarHBondContact O-N 3.41Å; D290-K293 WeakPolarHBondContact OD2-CD 3.29Å; D290-K293 WeakPolarHBondContact OD2-CE 3.4Å; D290-K293 IonicContact OD2-NZ 3.39Å
291	K	83.8	Confident	89	Confident	140 Å²	140	50.8 Å²	50.8	61%	0.609	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-55.1	-38.2	-176.9	-67.4	-171.1	173.8	-168.3	0	115.9	L286 D287 K293 V294	L286-K291 PolarHBondContact O-N 3.11Å; D287-K291 WeakPolarHBondContact O-CE 3.23Å; D287-K291 WeakPolarHBondContact O-CG 3.29Å; K291-K293 PolarHBondContact O-N 2.92Å; K291-K293 VanDerWaalsContact O-N 3.08Å; K291-V294 VanDerWaalsContact O-CB 3.26Å; K291-V294 WeakPolarHBondContact O-CB 3.37Å; K291-V294 WeakPolarHBondContact O-CG2 3.11Å; K291-V294 PolarHBondContact O-N 3.49Å
292	P	82.1	Confident	88.8	Confident	112 Å²	112	50.2 Å²	50.2	73%	0.727	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-54.8	-27.8	178.7	-29.4	35.4	0	0	0	114.9	D290	D290-P292 VanDerWaalsContact C-CD 3.42Å; D290-P292 WeakPolarHBondContact OD1-CD 3.34Å
293	K	84.4	Confident	88.5	Confident	18 Å²	18	50.7 Å²	50.7	8%	0.078	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-86	-12.6	-179.7	-63.2	-172.7	-174.1	-179.7	0	114	F224 F225 E227 L286 D290 K291 E295 A296 I297	F224-K293 PolarHBondContact O-NZ 3.38Å; F224-K293 VanDerWaalsContact O-NZ 3.08Å; F225-K293 HydrophobicContact CD1-CB 3.88Å; F225-K293 HydrophobicContact CD1-CD 4.1Å; F225-K293 HydrophobicContact CD1-CG 4.46Å; F225-K293 HydrophobicContact CE1-CB 4.12Å; F225-K293 WeakPolarHBondContact CE1-O 3.38Å; F225-K293 WeakPolarHBondContact O-CD 3.32Å; F225-K293 PolarHBondContact O-NZ 2.91Å; E227-K293 PolarHBondContact O-NZ 3.14Å; L286-K293 HydrophobicContact CD1-CB 4.2Å; L286-K293 HydrophobicContact CD2-CB 4.23Å; L286-K293 HydrophobicContact CD2-CD 4.33Å; D290-K293 PolarHBondContact O-N 3.41Å; D290-K293 WeakPolarHBondContact OD2-CD 3.29Å; D290-K293 WeakPolarHBondContact OD2-CE 3.4Å; D290-K293 IonicContact OD2-NZ 3.39Å; K291-K293 PolarHBondContact O-N 2.92Å; K291-K293 VanDerWaalsContact O-N 3.08Å; K293-E295 VanDerWaalsContact C-N 3.3Å; K293-E295 PolarHBondContact O-N 2.87Å; K293-A296 PolarHBondContact O-N 2.89Å; K293-I297 PolarHBondContact O-N 2.89Å
294	V	88.4	Confident	88.3	Confident	30 Å²	30	50.1 Å²	50.1	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-37.9	-177.4	167	0	0	0	0	112.2	L283 L286 D287 K291 I297 S298	L283-V294 HydrophobicContact CD1-CB 4.33Å; L283-V294 HydrophobicContact CD1-CG1 3.69Å; L283-V294 HydrophobicContact CD1-CG2 4.34Å; L286-V294 HydrophobicContact CB-CG2 3.89Å; D287-V294 HydrophobicContact CB-CG2 4.47Å; K291-V294 VanDerWaalsContact O-CB 3.26Å; K291-V294 WeakPolarHBondContact O-CB 3.37Å; K291-V294 WeakPolarHBondContact O-CG2 3.11Å; K291-V294 PolarHBondContact O-N 3.49Å; V294-I297 VanDerWaalsContact O-CG2 3.32Å; V294-I297 WeakPolarHBondContact O-CG2 3.15Å; V294-S298 VanDerWaalsContact O-CB 3.23Å; V294-S298 WeakPolarHBondContact O-CB 3.4Å; V294-S298 PolarHBondContact O-N 3.19Å; V294-S298 PolarHBondContact O-OG 3.04Å
295	E	85	Confident	88.3	Confident	124 Å²	124	46.1 Å²	46.1	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-64.7	-44.6	-179.5	-168.5	179.8	166.1	0	0	111.5	K293 S298 H299 Y431	K293-E295 VanDerWaalsContact C-N 3.3Å; K293-E295 PolarHBondContact O-N 2.87Å; E295-S298 PolarHBondContact O-N 2.84Å; E295-H299 WeakPolarHBondContact O-CB 2.91Å; E295-H299 PolarHBondContact O-N 2.73Å; E295-Y431 HydrophobicContact CG-CE2 4.21Å; E295-Y431 WeakPolarHBondContact CG-OH 3.4Å; E295-Y431 PolarHBondContact O-OH 3.39Å
296	A	85.6	Confident	88.1	Confident	16 Å²	16	44.5 Å²	44.5	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-43.6	-177.8	0	0	0	0	0	112.5	F225 L236 K293 H299 W300	F225-A296 HydrophobicContact CE1-CB 3.99Å; F225-A296 HydrophobicContact CZ-CB 4.05Å; L236-A296 HydrophobicContact CD2-CB 3.55Å; L236-A296 HydrophobicContact CG-CB 4.25Å; K293-A296 PolarHBondContact O-N 2.89Å; A296-H299 PolarHBondContact O-N 2.94Å; A296-W300 PolarHBondContact O-N 3.17Å; A296-W300 VanDerWaalsContact O-N 3.08Å
297	I	89	Confident	87.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-39.3	176.1	-166.2	169.3	0	0	0	111	F225 L279 L282 L283 L286 K293 V294 H299 W300 M301	F225-I297 HydrophobicContact CD1-CB 4.43Å; F225-I297 HydrophobicContact CD2-CD1 4.37Å; F225-I297 HydrophobicContact CE1-CB 3.85Å; F225-I297 HydrophobicContact CE2-CB 4.02Å; F225-I297 HydrophobicContact CE2-CD1 4.44Å; F225-I297 HydrophobicContact CE2-CG1 4.19Å; F225-I297 HydrophobicContact CZ-CB 3.62Å; F225-I297 HydrophobicContact CZ-CG1 4.3Å; L279-I297 HydrophobicContact CB-CD1 4.16Å; L279-I297 HydrophobicContact CD2-CD1 4.16Å; L279-I297 WeakPolarHBondContact O-CD1 3.35Å; L282-I297 HydrophobicContact CB-CD1 4.17Å; L282-I297 HydrophobicContact CD2-CD1 3.73Å; L282-I297 HydrophobicContact CG-CD1 3.96Å; L283-I297 HydrophobicContact CB-CD1 4.39Å; L283-I297 HydrophobicContact CB-CG2 4.21Å; L283-I297 HydrophobicContact CD1-CG2 3.69Å; L283-I297 HydrophobicContact CG-CG2 4.47Å; L286-I297 HydrophobicContact CD1-CD1 4.36Å; L286-I297 HydrophobicContact CD1-CG2 4.09Å; K293-I297 PolarHBondContact O-N 2.89Å; V294-I297 VanDerWaalsContact O-CG2 3.32Å; V294-I297 WeakPolarHBondContact O-CG2 3.15Å; I297-H299 VanDerWaalsContact C-N 3.29Å; I297-H299 PolarHBondContact O-N 3.49Å; I297-W300 WeakPolarHBondContact O-CB 3.2Å; I297-W300 PolarHBondContact O-N 2.78Å; I297-M301 HydrophobicContact CG1-SD 4.49Å; I297-M301 VanDerWaalsContact O-CG 3.31Å; I297-M301 WeakPolarHBondContact O-CG 3.12Å; I297-M301 PolarHBondContact O-N 2.97Å
298	S	89.1	Confident	87.8	Confident	7 Å²	7	41.8 Å²	41.8	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-38.9	175	-61.6	0	0	0	0	111.8	V294 E295 M301 G302 Y431	V294-S298 VanDerWaalsContact O-CB 3.23Å; V294-S298 WeakPolarHBondContact O-CB 3.4Å; V294-S298 PolarHBondContact O-N 3.19Å; V294-S298 PolarHBondContact O-OG 3.04Å; E295-S298 PolarHBondContact O-N 2.84Å; S298-M301 PolarHBondContact O-N 3.49Å; S298-G302 PolarHBondContact O-N 3.45Å; S298-Y431 VanDerWaalsContact CB-CE1 3.46Å
299	H	87.3	Confident	87.9	Confident	61 Å²	61	33.3 Å²	33.3	28%	0.282	18%	0.175	S	C	.	.	H	α-helix	trans	-66.5	-41	175.9	-169.1	78.6	0	0	0	112.4	E295 A296 I297 S303	E295-H299 WeakPolarHBondContact O-CB 2.91Å; E295-H299 PolarHBondContact O-N 2.73Å; A296-H299 PolarHBondContact O-N 2.94Å; I297-H299 VanDerWaalsContact C-N 3.29Å; I297-H299 PolarHBondContact O-N 3.49Å; H299-S303 WeakPolarHBondContact O-CB 3.28Å; H299-S303 PolarHBondContact O-N 3.28Å; H299-S303 PolarHBondContact O-OG 3.05Å
300	W	90.7	Very high	87.7	Confident	5 Å²	5	31.2 Å²	31.2	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-47.1	172.7	-179.3	97.6	0	0	0	110.7	L221 N243 L244 V275 L279 A296 I297 G302 S303 A304	L221-W300 HydrophobicContact CD2-CD2 4.37Å; L221-W300 HydrophobicContact CD2-CG 4.19Å; N243-W300 VanDerWaalsContact OD1-CE2 3.26Å; N243-W300 WeakPolarHBondContact OD1-CZ2 3.45Å; N243-W300 PolarHBondContact OD1-NE1 3.31Å; L244-W300 HydrophobicContact CD2-CG 4.41Å; L244-W300 HydrophobicContact CG-CG 4.43Å; V275-W300 HydrophobicContact CG1-CH2 4.2Å; L279-W300 HydrophobicContact CD1-CD2 4.18Å; L279-W300 HydrophobicContact CD1-CE3 3.65Å; L279-W300 HydrophobicContact CD1-CH2 3.47Å; L279-W300 VanDerWaalsContact CD1-CH2 3.47Å; L279-W300 HydrophobicContact CD1-CZ2 3.96Å; L279-W300 HydrophobicContact CD1-CZ3 3.29Å; A296-W300 PolarHBondContact O-N 3.17Å; A296-W300 VanDerWaalsContact O-N 3.08Å; I297-W300 WeakPolarHBondContact O-CB 3.2Å; I297-W300 PolarHBondContact O-N 2.78Å; W300-G302 PolarHBondContact O-N 3.34Å; W300-S303 PolarHBondContact O-N 2.85Å; W300-S303 VanDerWaalsContact O-N 3.17Å; W300-A304 HydrophobicContact CE3-CB 4.33Å; W300-A304 HydrophobicContact CH2-CB 4.02Å; W300-A304 HydrophobicContact CZ2-CB 4.35Å; W300-A304 HydrophobicContact CZ3-CB 4.01Å; W300-A304 WeakPolarHBondContact O-CB 3.03Å; W300-A304 PolarHBondContact O-N 3.39Å
301	M	91.4	Very high	87.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-43.6	180	-68.6	-179	82.4	0	0	111.8	F276 A280 L283 I297 S298 S303 A304 F305 W421	F276-M301 HydrophobicContact CD2-CE 3.7Å; F276-M301 HydrophobicContact CE2-CE 3.2Å; F276-M301 HydrophobicContact CZ-CE 3.94Å; A280-M301 HydrophobicContact CB-CE 3.84Å; L283-M301 HydrophobicContact CB-SD 4.48Å; L283-M301 HydrophobicContact CD2-SD 3.83Å; I297-M301 HydrophobicContact CG1-SD 4.49Å; I297-M301 VanDerWaalsContact O-CG 3.31Å; I297-M301 WeakPolarHBondContact O-CG 3.12Å; I297-M301 PolarHBondContact O-N 2.97Å; S298-M301 PolarHBondContact O-N 3.49Å; M301-S303 VanDerWaalsContact C-N 3.33Å; M301-S303 PolarHBondContact O-N 2.79Å; M301-A304 PolarHBondContact O-N 2.53Å; M301-F305 WeakPolarHBondContact O-CB 3.49Å; M301-F305 PolarHBondContact O-N 3.26Å; M301-W421 HydrophobicContact CB-CH2 3.97Å; M301-W421 HydrophobicContact CB-CZ3 4.29Å; M301-W421 HydrophobicContact CE-CD2 3.97Å; M301-W421 HydrophobicContact CE-CE3 4.01Å; M301-W421 HydrophobicContact CE-CH2 3.35Å; M301-W421 HydrophobicContact CE-CZ2 3.28Å; M301-W421 HydrophobicContact CE-CZ3 3.71Å; M301-W421 HydrophobicContact CG-CH2 4.43Å; M301-W421 HydrophobicContact SD-CH2 3.68Å; M301-W421 HydrophobicContact SD-CZ2 3.69Å; M301-W421 HydrophobicContact SD-CZ3 4.5Å
302	G	89.2	Confident	87.9	Confident	2 Å²	2	23.5 Å²	23.5	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-33.2	175.7	0	0	0	0	0	113.7	S298 W300 S306 S436	S298-G302 PolarHBondContact O-N 3.45Å; W300-G302 PolarHBondContact O-N 3.34Å; G302-S306 PolarHBondContact O-N 3.09Å; G302-S436 PolarHBondContact O-OG 3Å
303	S	88.3	Confident	88.1	Confident	9 Å²	9	19.7 Å²	19.7	6%	0.063	10%	0.1	C	C	.	.	H	α-helix	trans	-73.4	-42.3	175.2	-63.4	0	0	0	0	112	H299 W300 M301 F305 S306 F307	H299-S303 WeakPolarHBondContact O-CB 3.28Å; H299-S303 PolarHBondContact O-N 3.28Å; H299-S303 PolarHBondContact O-OG 3.05Å; W300-S303 PolarHBondContact O-N 2.85Å; W300-S303 VanDerWaalsContact O-N 3.17Å; M301-S303 VanDerWaalsContact C-N 3.33Å; M301-S303 PolarHBondContact O-N 2.79Å; S303-F305 VanDerWaalsContact C-N 3.33Å; S303-F305 PolarHBondContact O-N 2.98Å; S303-S306 PolarHBondContact O-N 2.82Å; S303-F307 PolarHBondContact O-N 3.02Å; S303-F307 VanDerWaalsContact O-N 3.14Å
304	A	90	Very high	88	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-43	174.2	0	0	0	0	0	111.2	L244 L247 W300 M301 S306 F307 L308 F418	L244-A304 HydrophobicContact CD2-CB 4.17Å; L247-A304 HydrophobicContact CD2-CB 3.67Å; W300-A304 HydrophobicContact CE3-CB 4.33Å; W300-A304 HydrophobicContact CH2-CB 4.02Å; W300-A304 HydrophobicContact CZ2-CB 4.35Å; W300-A304 HydrophobicContact CZ3-CB 4.01Å; W300-A304 WeakPolarHBondContact O-CB 3.03Å; W300-A304 PolarHBondContact O-N 3.39Å; M301-A304 PolarHBondContact O-N 2.53Å; A304-S306 PolarHBondContact O-N 2.57Å; A304-F307 PolarHBondContact O-N 2.92Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 3.47Å; A304-F418 HydrophobicContact CB-CZ 4.41Å
305	F	92.2	Very high	87.8	Confident	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-43.9	176.1	-177	-125	0	0	0	112.3	M301 S303 F307 L308 V309 L415 F418 L422 V432 I439 W440 L443	M301-F305 WeakPolarHBondContact O-CB 3.49Å; M301-F305 PolarHBondContact O-N 3.26Å; S303-F305 VanDerWaalsContact C-N 3.33Å; S303-F305 PolarHBondContact O-N 2.98Å; F305-F307 PolarHBondContact O-N 3.47Å; F305-L308 WeakPolarHBondContact O-CB 3.26Å; F305-L308 PolarHBondContact O-N 3.24Å; F305-V309 HydrophobicContact CD2-CG2 4.4Å; F305-V309 HydrophobicContact CE1-CG2 4.34Å; F305-V309 HydrophobicContact CE2-CG2 4.07Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.03Å; F305-L415 HydrophobicContact CD2-CD1 4.03Å; F305-L415 HydrophobicContact CE2-CD1 3.49Å; F305-L415 VanDerWaalsContact CE2-CD1 3.49Å; F305-L415 HydrophobicContact CZ-CD1 4.38Å; F305-F418 HydrophobicContact CB-CD1 3.8Å; F305-F418 HydrophobicContact CB-CE1 4.01Å; F305-F418 HydrophobicContact CD2-CB 3.63Å; F305-F418 AromaticContact CD2-CD1 3.73Å; F305-F418 HydrophobicContact CD2-CD1 3.73Å; F305-F418 AromaticContact CD2-CG 3.95Å; F305-F418 HydrophobicContact CD2-CG 3.95Å; F305-F418 HydrophobicContact CE2-CB 3.87Å; F305-F418 HydrophobicContact CG-CD1 4.09Å; F305-L422 HydrophobicContact CD1-CD1 3.87Å; F305-L422 HydrophobicContact CE1-CD1 3.62Å; F305-L422 HydrophobicContact CE2-CD1 4.34Å; F305-L422 HydrophobicContact CG-CD1 4.4Å; F305-L422 HydrophobicContact CZ-CD1 3.87Å; F305-V432 HydrophobicContact CD1-CG1 4.34Å; F305-I439 HydrophobicContact CD1-CD1 3.39Å; F305-I439 HydrophobicContact CD1-CG1 4.21Å; F305-I439 HydrophobicContact CE1-CD1 3.94Å; F305-I439 HydrophobicContact CE1-CG1 4.31Å; F305-I439 HydrophobicContact CG-CD1 4.33Å; F305-W440 HydrophobicContact CE1-CZ3 4.16Å; F305-L443 HydrophobicContact CZ-CD1 4.4Å
306	S	87.2	Confident	87.9	Confident	6 Å²	6	15.6 Å²	15.6	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-43.5	175.1	173.7	0	0	0	0	112.1	G302 S303 A304 L308 V309 E310 E442	G302-S306 PolarHBondContact O-N 3.09Å; S303-S306 PolarHBondContact O-N 2.82Å; A304-S306 PolarHBondContact O-N 2.57Å; S306-L308 VanDerWaalsContact C-N 3.29Å; S306-L308 PolarHBondContact O-N 3.34Å; S306-V309 PolarHBondContact O-N 3.49Å; S306-E310 PolarHBondContact O-N 3.32Å; S306-E442 PolarHBondContact OG-OE2 3.18Å
307	F	86.6	Confident	88	Confident	24 Å²	24	17.3 Å²	17.3	11%	0.105	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-34.8	176.2	-65	-16.5	0	0	0	113.1	L244 Q248 L251 S303 A304 F305 H311	L244-F307 HydrophobicContact CB-CE2 4.03Å; L244-F307 HydrophobicContact CD2-CD2 4.3Å; L244-F307 HydrophobicContact CD2-CE2 4.06Å; Q248-F307 HydrophobicContact CB-CD2 4.07Å; Q248-F307 HydrophobicContact CB-CE2 4.14Å; L251-F307 HydrophobicContact CD1-CB 3.9Å; S303-F307 PolarHBondContact O-N 3.02Å; S303-F307 VanDerWaalsContact O-N 3.14Å; A304-F307 PolarHBondContact O-N 2.92Å; F305-F307 PolarHBondContact O-N 3.47Å; F307-H311 VanDerWaalsContact O-CB 3.24Å; F307-H311 WeakPolarHBondContact O-CB 3.36Å; F307-H311 PolarHBondContact O-N 2.98Å
308	L	90.4	Very high	87.5	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-43.5	175.7	-71.3	166.5	0	0	0	111.3	L251 V272 A304 F305 S306 H311 S312 V414 L415 F418	L251-L308 HydrophobicContact CD1-CD2 4.2Å; L251-L308 HydrophobicContact CD2-CD2 3.91Å; V272-L308 HydrophobicContact CG1-CD2 4.27Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 3.47Å; F305-L308 WeakPolarHBondContact O-CB 3.26Å; F305-L308 PolarHBondContact O-N 3.24Å; S306-L308 VanDerWaalsContact C-N 3.29Å; S306-L308 PolarHBondContact O-N 3.34Å; L308-H311 PolarHBondContact O-N 2.57Å; L308-S312 WeakPolarHBondContact O-CB 3.25Å; L308-S312 PolarHBondContact O-N 2.89Å; L308-S312 PolarHBondContact O-OG 3.11Å; L308-V414 HydrophobicContact CD1-CG1 3.7Å; L308-V414 HydrophobicContact CD2-CB 4.49Å; L308-V414 HydrophobicContact CD2-CG1 3.74Å; L308-V414 HydrophobicContact CG-CG1 4.36Å; L308-L415 HydrophobicContact CB-CD1 4.38Å; L308-F418 HydrophobicContact CD1-CD2 3.77Å; L308-F418 HydrophobicContact CD1-CE1 4.24Å; L308-F418 HydrophobicContact CD1-CE2 3.39Å; L308-F418 HydrophobicContact CD1-CG 4.3Å; L308-F418 HydrophobicContact CD1-CZ 3.63Å
309	V	90.3	Very high	87.2	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-47.5	175.5	175.7	0	0	0	0	111.1	F305 S306 H311 S312 I313 L415 E442 L443 M446	F305-V309 HydrophobicContact CD2-CG2 4.4Å; F305-V309 HydrophobicContact CE1-CG2 4.34Å; F305-V309 HydrophobicContact CE2-CG2 4.07Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.31Å; F305-V309 PolarHBondContact O-N 3.03Å; S306-V309 PolarHBondContact O-N 3.49Å; V309-H311 VanDerWaalsContact C-N 3.3Å; V309-H311 PolarHBondContact O-N 2.78Å; V309-S312 PolarHBondContact O-N 2.87Å; V309-I313 HydrophobicContact CG1-CD1 4.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.46Å; V309-I313 PolarHBondContact O-N 3.21Å; V309-I313 VanDerWaalsContact O-N 3.1Å; V309-L415 HydrophobicContact CG2-CD1 3.8Å; V309-E442 HydrophobicContact CG1-CB 3.67Å; V309-L443 HydrophobicContact CG1-CB 4.48Å; V309-L443 HydrophobicContact CG2-CD1 4.14Å; V309-M446 HydrophobicContact CG1-CB 4.17Å
310	E	84.7	Confident	87.1	Confident	54 Å²	54	20.5 Å²	20.5	25%	0.252	10%	0.1	S	C	.	.	H	α-helix	trans	-58.5	-42.8	176	-72.7	-171.2	165.3	0	0	111.8	S306 E314 N562	S306-E310 PolarHBondContact O-N 3.32Å; E310-E314 PolarHBondContact O-N 2.91Å; E310-N562 PolarHBondContact OE1-ND2 3.43Å
311	H	85	Confident	86.5	Confident	17 Å²	17	24.7 Å²	24.7	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-45.4	177.6	173.1	-92.9	0	0	0	112.1	L251 S254 L255 F307 L308 V309 I313 E314 A315	L251-H311 HydrophobicContact CB-CB 4.27Å; L251-H311 HydrophobicContact CD1-CB 4.19Å; L251-H311 HydrophobicContact CD2-CB 4.33Å; L251-H311 HydrophobicContact CG-CB 4.5Å; L251-H311 PolarHBondContact O-CD2 2.9Å; L251-H311 PolarHBondContact O-NE2 3.43Å; S254-H311 PolarHBondContact OG-NE2 3.41Å; L255-H311 VanDerWaalsContact CG-CD2 3.46Å; L255-H311 WeakPolarHBondContact CG-CD2 3.37Å; F307-H311 VanDerWaalsContact O-CB 3.24Å; F307-H311 WeakPolarHBondContact O-CB 3.36Å; F307-H311 PolarHBondContact O-N 2.98Å; L308-H311 PolarHBondContact O-N 2.57Å; V309-H311 VanDerWaalsContact C-N 3.3Å; V309-H311 PolarHBondContact O-N 2.78Å; H311-I313 VanDerWaalsContact C-N 3.35Å; H311-I313 PolarHBondContact O-N 3.47Å; H311-E314 PolarHBondContact O-N 3.32Å; H311-A315 WeakPolarHBondContact O-CB 3.47Å; H311-A315 PolarHBondContact O-N 3.02Å
312	S	88.6	Confident	85.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-43.4	178.8	-64.3	0	0	0	0	112	L308 V309 E314 A315 I316	L308-S312 WeakPolarHBondContact O-CB 3.25Å; L308-S312 PolarHBondContact O-N 2.89Å; L308-S312 PolarHBondContact O-OG 3.11Å; V309-S312 PolarHBondContact O-N 2.87Å; S312-E314 PolarHBondContact O-N 3.35Å; S312-A315 PolarHBondContact O-N 3.43Å; S312-I316 WeakPolarHBondContact O-CD1 2.97Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å; S312-I316 PolarHBondContact O-N 3.37Å
313	I	87.4	Confident	84.8	Confident	32 Å²	32	31.3 Å²	31.3	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-57.4	-49.6	175.9	-67	165.4	0	0	0	110.7	V309 H311 N317 E442 T445 M446 L449	V309-I313 HydrophobicContact CG1-CD1 4.22Å; V309-I313 WeakPolarHBondContact O-CG1 3.46Å; V309-I313 PolarHBondContact O-N 3.21Å; V309-I313 VanDerWaalsContact O-N 3.1Å; H311-I313 VanDerWaalsContact C-N 3.35Å; H311-I313 PolarHBondContact O-N 3.47Å; I313-N317 WeakPolarHBondContact O-CB 2.93Å; I313-N317 PolarHBondContact O-N 2.94Å; I313-N317 VanDerWaalsContact O-N 3.1Å; I313-N317 PolarHBondContact O-ND2 3.42Å; I313-E442 HydrophobicContact CD1-CB 4.48Å; I313-E442 WeakPolarHBondContact CD1-O 3.43Å; I313-T445 HydrophobicContact CD1-CG2 4.3Å; I313-M446 HydrophobicContact CD1-CB 4.16Å; I313-M446 HydrophobicContact CG1-CB 3.61Å; I313-M446 HydrophobicContact CG1-CG 3.94Å; I313-L449 HydrophobicContact CG2-CD1 4.2Å
314	E	81.9	Confident	84.2	Confident	75 Å²	75	35.9 Å²	35.9	35%	0.35	18%	0.175	S	C	.	.	H	α-helix	trans	-66.8	-40	-179.6	-178.8	65.7	-170.5	0	0	111.6	L255 E310 H311 S312 N317 R318	L255-E314 HydrophobicContact CD1-CB 4.11Å; L255-E314 HydrophobicContact CD1-CG 3.66Å; L255-E314 HydrophobicContact CD2-CB 4.17Å; L255-E314 HydrophobicContact CD2-CG 3.93Å; L255-E314 HydrophobicContact CG-CG 4.36Å; E310-E314 PolarHBondContact O-N 2.91Å; H311-E314 PolarHBondContact O-N 3.32Å; S312-E314 PolarHBondContact O-N 3.35Å; E314-N317 PolarHBondContact O-N 2.98Å; E314-R318 WeakPolarHBondContact O-CB 3Å; E314-R318 VanDerWaalsContact O-CG 3.32Å; E314-R318 WeakPolarHBondContact O-CG 3.48Å; E314-R318 PolarHBondContact O-N 3.22Å; E314-R318 IonicContact OE1-CZ 3.98Å; E314-R318 VanDerWaalsContact OE1-CZ 3.23Å; E314-R318 IonicContact OE1-NE 2.85Å; E314-R318 PolarHBondContact OE1-NE 3.43Å; E314-R318 IonicContact OE1-NH2 3.23Å; E314-R318 PolarHBondContact OE1-NH2 3.13Å
315	A	84.2	Confident	83	Confident	11 Å²	11	42 Å²	42	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-46.7	178.7	0	0	0	0	0	111.9	L255 H311 S312 R318 C319	L255-A315 HydrophobicContact CD2-CB 3.76Å; H311-A315 WeakPolarHBondContact O-CB 3.47Å; H311-A315 PolarHBondContact O-N 3.02Å; S312-A315 PolarHBondContact O-N 3.43Å; A315-R318 PolarHBondContact O-N 3.1Å; A315-C319 WeakPolarHBondContact O-CB 3.42Å; A315-C319 PolarHBondContact O-N 3.4Å
316	I	87.8	Confident	81.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.1	-65.4	161	0	0	0	110.5	S312 R318 C319 F320 L406 W411 M446 L449 L450	S312-I316 WeakPolarHBondContact O-CD1 2.97Å; S312-I316 WeakPolarHBondContact O-CG1 3.42Å; S312-I316 PolarHBondContact O-N 3.37Å; I316-R318 VanDerWaalsContact C-N 3.34Å; I316-R318 PolarHBondContact O-N 3.25Å; I316-C319 WeakPolarHBondContact O-CB 3.49Å; I316-C319 PolarHBondContact O-N 2.72Å; I316-C319 VanDerWaalsContact O-N 3.15Å; I316-F320 HydrophobicContact CG2-CD2 3.68Å; I316-F320 HydrophobicContact CG2-CE1 4.27Å; I316-F320 HydrophobicContact CG2-CE2 3.33Å; I316-F320 HydrophobicContact CG2-CG 4.3Å; I316-F320 HydrophobicContact CG2-CZ 3.67Å; I316-F320 WeakPolarHBondContact O-CG 3.25Å; I316-F320 PolarHBondContact O-N 3.15Å; I316-L406 HydrophobicContact CG1-CD2 3.86Å; I316-L406 HydrophobicContact CG2-CD2 4.19Å; I316-W411 HydrophobicContact CD1-CH2 3.58Å; I316-W411 HydrophobicContact CD1-CZ2 3.46Å; I316-W411 VanDerWaalsContact CD1-CZ2 3.46Å; I316-W411 HydrophobicContact CG1-CH2 3.95Å; I316-W411 HydrophobicContact CG1-CZ2 3.26Å; I316-M446 HydrophobicContact CD1-CG 4.38Å; I316-M446 HydrophobicContact CD1-SD 4.25Å; I316-L449 HydrophobicContact CB-CD1 4.15Å; I316-L449 HydrophobicContact CD1-CB 4.16Å; I316-L449 HydrophobicContact CD1-CD1 4.17Å; I316-L449 HydrophobicContact CG2-CB 3.93Å; I316-L449 HydrophobicContact CG2-CD1 4.13Å; I316-L450 HydrophobicContact CD1-CD2 4.09Å
317	N	86.4	Confident	79.8	Confident	53 Å²	53	44.4 Å²	44.4	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-43.3	-178.8	-77.6	-46.5	0	0	0	111.9	I313 E314 C319 F320 E321	I313-N317 WeakPolarHBondContact O-CB 2.93Å; I313-N317 PolarHBondContact O-N 2.94Å; I313-N317 VanDerWaalsContact O-N 3.1Å; I313-N317 PolarHBondContact O-ND2 3.42Å; E314-N317 PolarHBondContact O-N 2.98Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.92Å; N317-F320 PolarHBondContact O-N 2.79Å; N317-E321 VanDerWaalsContact O-CB 3.31Å; N317-E321 WeakPolarHBondContact O-CB 3.4Å; N317-E321 WeakPolarHBondContact O-CG 3.34Å; N317-E321 PolarHBondContact O-N 2.71Å
318	R	79.6	Confident	78.1	Confident	103 Å²	103	46.8 Å²	46.8	39%	0.389	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-42	174.6	-75.5	-177.2	-175.5	-151.8	-1.8	112.5	L255 E314 A315 I316 S322	L255-R318 PolarHBondContact O-NH1 2.67Å; E314-R318 WeakPolarHBondContact O-CB 3Å; E314-R318 VanDerWaalsContact O-CG 3.32Å; E314-R318 WeakPolarHBondContact O-CG 3.48Å; E314-R318 PolarHBondContact O-N 3.22Å; E314-R318 IonicContact OE1-CZ 3.98Å; E314-R318 VanDerWaalsContact OE1-CZ 3.23Å; E314-R318 IonicContact OE1-NE 2.85Å; E314-R318 PolarHBondContact OE1-NE 3.43Å; E314-R318 IonicContact OE1-NH2 3.23Å; E314-R318 PolarHBondContact OE1-NH2 3.13Å; A315-R318 PolarHBondContact O-N 3.1Å; I316-R318 VanDerWaalsContact C-N 3.34Å; I316-R318 PolarHBondContact O-N 3.25Å; R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.24Å; R318-S322 PolarHBondContact O-N 3.42Å
319	C	82.7	Confident	76	Confident	23 Å²	23	50 Å²	50	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-51	178	-173.2	0	0	0	0	110.8	A315 I316 N317 S322 H323 L409	A315-C319 WeakPolarHBondContact O-CB 3.42Å; A315-C319 PolarHBondContact O-N 3.4Å; I316-C319 WeakPolarHBondContact O-CB 3.49Å; I316-C319 PolarHBondContact O-N 2.72Å; I316-C319 VanDerWaalsContact O-N 3.15Å; N317-C319 VanDerWaalsContact C-N 3.34Å; N317-C319 PolarHBondContact O-N 2.92Å; C319-S322 PolarHBondContact O-N 2.95Å; C319-H323 PolarHBondContact O-N 2.86Å; C319-L409 HydrophobicContact CB-CD1 4.21Å; C319-L409 HydrophobicContact CB-CD2 4.39Å
320	F	84.7	Confident	73.7	Confident	10 Å²	10	58.7 Å²	58.7	4%	0.044	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-40.2	179.2	-67	-10.6	0	0	0	113	I316 N317 H323 R324 L397 K402 L405 L406	I316-F320 HydrophobicContact CG2-CD2 3.68Å; I316-F320 HydrophobicContact CG2-CE1 4.27Å; I316-F320 HydrophobicContact CG2-CE2 3.33Å; I316-F320 HydrophobicContact CG2-CG 4.3Å; I316-F320 HydrophobicContact CG2-CZ 3.67Å; I316-F320 WeakPolarHBondContact O-CG 3.25Å; I316-F320 PolarHBondContact O-N 3.15Å; N317-F320 PolarHBondContact O-N 2.79Å; F320-H323 PolarHBondContact O-N 2.92Å; F320-R324 WeakPolarHBondContact O-CG 3.49Å; F320-R324 PolarHBondContact O-N 3.46Å; F320-L397 HydrophobicContact CB-CD1 3.69Å; F320-L397 HydrophobicContact CD1-CD1 3.8Å; F320-L397 HydrophobicContact CD2-CD1 4.19Å; F320-L397 HydrophobicContact CE1-CD1 4.46Å; F320-L397 HydrophobicContact CG-CD1 3.63Å; F320-K402 HydrophobicContact CE1-CB 4.44Å; F320-K402 HydrophobicContact CE1-CG 4.4Å; F320-K402 HydrophobicContact CZ-CB 4.25Å; F320-K402 HydrophobicContact CZ-CG 4.08Å; F320-L405 HydrophobicContact CD1-CB 4.42Å; F320-L405 HydrophobicContact CD1-CD1 3.91Å; F320-L405 HydrophobicContact CE1-CB 4.22Å; F320-L405 HydrophobicContact CE1-CD1 4.31Å; F320-L406 HydrophobicContact CE1-CD2 4.29Å; F320-L406 HydrophobicContact CE1-CG 4.2Å; F320-L406 HydrophobicContact CZ-CD1 4.33Å; F320-L406 HydrophobicContact CZ-CD2 4.13Å; F320-L406 HydrophobicContact CZ-CG 4.15Å
321	E	79.1	Confident	71.8	Confident	92 Å²	92	58.9 Å²	58.9	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-40.2	175.4	-79.8	-174.5	-162.4	0	0	112.9	N317 H323 R324 K325	N317-E321 VanDerWaalsContact O-CB 3.31Å; N317-E321 WeakPolarHBondContact O-CB 3.4Å; N317-E321 WeakPolarHBondContact O-CG 3.34Å; N317-E321 PolarHBondContact O-N 2.71Å; E321-H323 VanDerWaalsContact C-N 3.31Å; E321-H323 PolarHBondContact O-N 2.86Å; E321-R324 PolarHBondContact O-N 3.35Å; E321-K325 WeakPolarHBondContact O-CG 3.47Å; E321-K325 PolarHBondContact O-N 3.04Å; E321-K325 IonicContact OE2-NZ 3.67Å; E321-K325 PolarHBondContact OE2-NZ 2.99Å
322	S	72.7	Confident	69.5	Low	83 Å²	83	60.6 Å²	60.6	58%	0.58	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-45.1	177.1	-173.3	0	0	0	0	110.6	R318 C319 K325 G326	R318-S322 VanDerWaalsContact O-CB 3.23Å; R318-S322 WeakPolarHBondContact O-CB 3.24Å; R318-S322 PolarHBondContact O-N 3.42Å; C319-S322 PolarHBondContact O-N 2.95Å; S322-K325 PolarHBondContact O-N 3.04Å; S322-G326 PolarHBondContact O-N 3.32Å
323	H	72.1	Confident	67	Low	58 Å²	58	67 Å²	67	27%	0.269	35%	0.345	S	S	.	.	H	α-helix	trans	-61.4	-49.4	175.3	-172.8	91.8	0	0	0	112	C319 F320 E321 K325 G326 T327 L397 L405	C319-H323 PolarHBondContact O-N 2.86Å; F320-H323 PolarHBondContact O-N 2.92Å; E321-H323 VanDerWaalsContact C-N 3.31Å; E321-H323 PolarHBondContact O-N 2.86Å; H323-K325 VanDerWaalsContact C-N 3.31Å; H323-K325 PolarHBondContact O-N 3.24Å; H323-G326 PolarHBondContact O-N 3.31Å; H323-G326 VanDerWaalsContact O-N 3.14Å; H323-T327 PolarHBondContact O-N 3.5Å; H323-T327 PolarHBondContact O-OG1 3.14Å; H323-T327 VanDerWaalsContact O-OG1 3.12Å; H323-L397 HydrophobicContact CB-CD2 4.43Å; H323-L397 VanDerWaalsContact CD2-CD2 3.45Å; H323-L397 WeakPolarHBondContact CD2-CD2 3.42Å; H323-L405 HydrophobicContact CB-CD1 3.76Å; H323-L405 HydrophobicContact CB-CD2 4.27Å
324	R	74.5	Confident	65	Low	105 Å²	105	69.1 Å²	69.1	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-57.2	-42.6	178.3	-71.8	178.3	-172.6	136.5	1.6	112.2	F320 E321 T327 V328 T395	F320-R324 WeakPolarHBondContact O-CG 3.49Å; F320-R324 PolarHBondContact O-N 3.46Å; E321-R324 PolarHBondContact O-N 3.35Å; R324-T327 PolarHBondContact O-N 3.04Å; R324-V328 WeakPolarHBondContact O-CG2 3.31Å; R324-V328 PolarHBondContact O-N 3.38Å; R324-V328 VanDerWaalsContact O-N 3.12Å; R324-T395 PolarHBondContact NE-O 2.83Å
325	K	64.3	Low	63.2	Low	131 Å²	131	69.7 Å²	69.7	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-65.7	-42.9	176.6	-72.3	171	-174.6	160.5	0	111.7	E321 S322 H323 T327 V328 S329	E321-K325 WeakPolarHBondContact O-CG 3.47Å; E321-K325 PolarHBondContact O-N 3.04Å; E321-K325 IonicContact OE2-NZ 3.67Å; E321-K325 PolarHBondContact OE2-NZ 2.99Å; S322-K325 PolarHBondContact O-N 3.04Å; H323-K325 VanDerWaalsContact C-N 3.31Å; H323-K325 PolarHBondContact O-N 3.24Å; K325-T327 VanDerWaalsContact C-N 3.31Å; K325-T327 PolarHBondContact O-N 3.44Å; K325-V328 PolarHBondContact O-N 2.71Å; K325-S329 PolarHBondContact O-N 3.18Å; K325-S329 PolarHBondContact O-OG 3.18Å
326	G	57.7	Low	61	Low	30 Å²	30	75.4 Å²	75.4	31%	0.309	40%	0.397	S	S	.	.	H	α-helix	trans	-59.8	-39.4	175.9	0	0	0	0	0	112.9	S322 H323 R330	S322-G326 PolarHBondContact O-N 3.32Å; H323-G326 PolarHBondContact O-N 3.31Å; H323-G326 VanDerWaalsContact O-N 3.14Å; G326-R330 WeakPolarHBondContact O-CG 3.49Å; G326-R330 PolarHBondContact O-N 2.86Å; G326-R330 VanDerWaalsContact O-N 3.14Å
327	T	55	Low	58.6	Low	26 Å²	26	79.1 Å²	79.1	16%	0.16	42%	0.423	C	S	.	.	H	α-helix	trans	-68.5	-41.9	176.8	-53.6	0	0	0	0	112.1	H323 R324 K325 S329 R330 T331 S394	H323-T327 PolarHBondContact O-N 3.5Å; H323-T327 PolarHBondContact O-OG1 3.14Å; H323-T327 VanDerWaalsContact O-OG1 3.12Å; R324-T327 PolarHBondContact O-N 3.04Å; K325-T327 VanDerWaalsContact C-N 3.31Å; K325-T327 PolarHBondContact O-N 3.44Å; T327-S329 VanDerWaalsContact C-N 3.34Å; T327-S329 PolarHBondContact O-N 3.43Å; T327-R330 PolarHBondContact O-N 2.98Å; T327-T331 PolarHBondContact O-N 3.47Å; T327-T331 PolarHBondContact O-OG1 3.14Å; T327-T331 VanDerWaalsContact O-OG1 3.08Å; T327-S394 WeakPolarHBondContact CG2-O 3.26Å
328	V	51.7	Low	56.3	Low	75 Å²	75	83.6 Å²	83.6	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-39.1	176.2	173.9	0	0	0	0	111.9	R324 K325 T331 A332 T395	R324-V328 WeakPolarHBondContact O-CG2 3.31Å; R324-V328 PolarHBondContact O-N 3.38Å; R324-V328 VanDerWaalsContact O-N 3.12Å; K325-V328 PolarHBondContact O-N 2.71Å; V328-T331 WeakPolarHBondContact CA-OG1 3.45Å; V328-T331 PolarHBondContact O-OG1 3.18Å; V328-T331 VanDerWaalsContact O-OG1 3.04Å; V328-A332 WeakPolarHBondContact O-CB 3.44Å; V328-A332 PolarHBondContact O-N 3.29Å; V328-T395 HydrophobicContact CG2-CG2 4.4Å
329	S	45.9	Very low	54.4	Low	72 Å²	72	83.2 Å²	83.2	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.8	-67.2	0	0	0	0	111.9	K325 T327 A332 E333	K325-S329 PolarHBondContact O-N 3.18Å; K325-S329 PolarHBondContact O-OG 3.18Å; T327-S329 VanDerWaalsContact C-N 3.34Å; T327-S329 PolarHBondContact O-N 3.43Å; S329-A332 PolarHBondContact O-N 2.94Å; S329-E333 WeakPolarHBondContact O-CG 3.49Å; S329-E333 PolarHBondContact O-N 3.01Å; S329-E333 VanDerWaalsContact O-N 3.09Å
330	R	41.9	Very low	52.2	Low	182 Å²	182	86.4 Å²	86.4	69%	0.687	47%	0.474	S	S	*	.	H	α-helix	trans	-66.4	-40.7	177.5	-71	178.3	-167.3	172.8	4.5	112.4	G326 T327 E333 T334	G326-R330 WeakPolarHBondContact O-CG 3.49Å; G326-R330 PolarHBondContact O-N 2.86Å; G326-R330 VanDerWaalsContact O-N 3.14Å; T327-R330 PolarHBondContact O-N 2.98Å; R330-E333 PolarHBondContact O-N 3.4Å; R330-T334 PolarHBondContact O-N 3.17Å; R330-T334 PolarHBondContact O-OG1 2.89Å
331	T	43.6	Very low	49.8	Very low	57 Å²	57	92.8 Å²	92.8	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176.7	47.5	0	0	0	0	111.1	T327 V328 E333 T334 T335	T327-T331 PolarHBondContact O-N 3.47Å; T327-T331 PolarHBondContact O-OG1 3.14Å; T327-T331 VanDerWaalsContact O-OG1 3.08Å; V328-T331 WeakPolarHBondContact CA-OG1 3.45Å; V328-T331 PolarHBondContact O-OG1 3.18Å; V328-T331 VanDerWaalsContact O-OG1 3.04Å; T331-E333 VanDerWaalsContact C-N 3.35Å; T331-E333 PolarHBondContact O-N 3.03Å; T331-T334 PolarHBondContact O-N 2.84Å; T331-T334 VanDerWaalsContact O-N 3.15Å; T331-T335 PolarHBondContact O-N 3.15Å; T331-T335 PolarHBondContact O-OG1 3.22Å
332	A	38.1	Very low	47.5	Very low	53 Å²	53	96.1 Å²	96.1	44%	0.438	53%	0.529	S	S	.	.	H	α-helix	trans	-59.1	-41.9	175.5	0	0	0	0	0	113.1	V328 S329 L336	V328-A332 WeakPolarHBondContact O-CB 3.44Å; V328-A332 PolarHBondContact O-N 3.29Å; S329-A332 PolarHBondContact O-N 2.94Å; A332-L336 PolarHBondContact O-N 3.39Å
333	E	36.4	Very low	45.4	Very low	135 Å²	135	97.4 Å²	97.4	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-67.1	-37	175.7	-73.8	178.1	-177.7	0	0	112.5	S329 R330 T331 L336 S337	S329-E333 WeakPolarHBondContact O-CG 3.49Å; S329-E333 PolarHBondContact O-N 3.01Å; S329-E333 VanDerWaalsContact O-N 3.09Å; R330-E333 PolarHBondContact O-N 3.4Å; T331-E333 VanDerWaalsContact C-N 3.35Å; T331-E333 PolarHBondContact O-N 3.03Å; E333-L336 PolarHBondContact O-N 3.41Å; E333-S337 WeakPolarHBondContact O-CB 3.37Å; E333-S337 PolarHBondContact O-N 3.32Å; E333-S337 VanDerWaalsContact O-N 3.1Å; E333-S337 PolarHBondContact O-OG 3.04Å
334	T	44.3	Very low	43.4	Very low	77 Å²	77	100.1 Å²	100.1	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-70.2	-38.8	179.1	-42.4	0	0	0	0	111.1	R330 T331 S337 Q338	R330-T334 PolarHBondContact O-N 3.17Å; R330-T334 PolarHBondContact O-OG1 2.89Å; T331-T334 PolarHBondContact O-N 2.84Å; T331-T334 VanDerWaalsContact O-N 3.15Å; T334-S337 PolarHBondContact O-N 3.22Å; T334-Q338 PolarHBondContact O-N 3.2Å; T334-Q338 VanDerWaalsContact O-N 3.13Å
335	T	44.1	Very low	41.1	Very low	88 Å²	88	99.5 Å²	99.5	54%	0.54	58%	0.58	S	S	.	*	H	α-helix	trans	-66.9	-41.2	175.4	-41.8	0	0	0	0	111.4	T331 S337 Q338 T339	T331-T335 PolarHBondContact O-N 3.15Å; T331-T335 PolarHBondContact O-OG1 3.22Å; T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 PolarHBondContact O-N 3.26Å; T335-Q338 PolarHBondContact O-N 3.25Å; T335-T339 PolarHBondContact O-N 2.81Å; T335-T339 VanDerWaalsContact O-N 3.11Å; T335-T339 PolarHBondContact O-OG1 2.97Å
336	L	38.9	Very low	39.6	Very low	131 Å²	131	103.3 Å²	103.3	69%	0.686	60%	0.597	S	S	*	*	H	α-helix	trans	-61.5	-39.6	176.6	-120.7	100.7	0	0	0	111.7	A332 E333 T339 S340	A332-L336 PolarHBondContact O-N 3.39Å; E333-L336 PolarHBondContact O-N 3.41Å; L336-T339 PolarHBondContact O-N 3.42Å; L336-T339 PolarHBondContact O-OG1 2.94Å; L336-S340 PolarHBondContact O-N 2.83Å
337	S	37.6	Very low	38.2	Very low	77 Å²	77	108.5 Å²	108.5	54%	0.538	62%	0.623	S	S	.	*	H	α-helix	trans	-70	-32.1	-179	-54.4	0	0	0	0	113.1	E333 T334 T335	E333-S337 WeakPolarHBondContact O-CB 3.37Å; E333-S337 PolarHBondContact O-N 3.32Å; E333-S337 VanDerWaalsContact O-N 3.1Å; E333-S337 PolarHBondContact O-OG 3.04Å; T334-S337 PolarHBondContact O-N 3.22Å; T335-S337 VanDerWaalsContact C-N 3.28Å; T335-S337 PolarHBondContact O-N 3.26Å
338	Q	37.4	Very low	36.7	Very low	147 Å²	147	115.5 Å²	115.5	69%	0.687	66%	0.659	S	S	*	*	H	α-helix	trans	-80.2	-28.3	177.1	-71.8	-176.2	-6.4	0	0	112.8	T334 T335 S340	T334-Q338 PolarHBondContact O-N 3.2Å; T334-Q338 VanDerWaalsContact O-N 3.13Å; T335-Q338 PolarHBondContact O-N 3.25Å; Q338-S340 VanDerWaalsContact C-N 3.26Å; Q338-S340 PolarHBondContact O-N 2.89Å
339	T	39.9	Very low	35.5	Very low	95 Å²	95	116.7 Å²	116.7	58%	0.583	67%	0.67	S	S	*	*	H	α-helix	trans	-74.2	-12.6	174.5	51.5	0	0	0	0	114.2	T335 L336 L341	T335-T339 PolarHBondContact O-N 2.81Å; T335-T339 VanDerWaalsContact O-N 3.11Å; T335-T339 PolarHBondContact O-OG1 2.97Å; L336-T339 PolarHBondContact O-N 3.42Å; L336-T339 PolarHBondContact O-OG1 2.94Å; T339-L341 PolarHBondContact O-N 3.01Å
340	S	36.4	Very low	34.7	Very low	91 Å²	91	119.9 Å²	119.9	64%	0.636	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-0.5	-178	105.4	0	0	0	0	115.1	L336 Q338	L336-S340 PolarHBondContact O-N 2.83Å; Q338-S340 VanDerWaalsContact C-N 3.26Å; Q338-S340 PolarHBondContact O-N 2.89Å
341	L	34.4	Very low	34.1	Very low	143 Å²	143	119.9 Å²	119.9	75%	0.749	69%	0.69	S	S	*	*	S	Bend	trans	-107.6	-6.6	-178.4	-78.8	168.1	0	0	0	115.5	T339	T339-L341 PolarHBondContact O-N 3.01Å
342	D	31.6	Very low	33.2	Very low	163 Å²	163	125 Å²	125	87%	0.872	71%	0.713	S	S	*	*	S	Bend	trans	-118.1	22.4	-172.5	-99.8	-5.5	0	0	0	116.1
343	S	28.5	Very low	32.7	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	74%	0.736	S	S	*	*			trans	-136.3	59.8	175.9	60.9	0	0	0	0	114.8
344	S	28.3	Very low	31.9	Very low	116 Å²	116	131 Å²	131	81%	0.811	74%	0.744	S	S	*	*			trans	-123.9	62.2	168.2	67.5	0	0	0	0	112.2
345	A	28.1	Very low	31	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	76%	0.758	S	S	*	*			trans	-172.3	89.1	158	0	0	0	0	0	111.6
346	K	31.3	Very low	30.1	Very low	211 Å²	211	133.4 Å²	133.4	92%	0.917	77%	0.767	S	S	*	*			trans	-175.2	115.6	133.7	-101.1	163.3	-172.5	-177.7	0	111.7
347	T	28.4	Very low	29.4	Very low	140 Å²	140	133.4 Å²	133.4	86%	0.859	77%	0.772	S	S	*	*			trans	-28.6	133.6	168.6	-43.5	0	0	0	0	116.6
348	L	24.4	Very low	29.1	Very low	172 Å²	172	137.5 Å²	137.5	90%	0.901	79%	0.788	S	S	*	*			trans	-49.9	130.2	162.9	-66.4	141.5	0	0	0	113.1
349	S	25.9	Very low	28.5	Very low	100 Å²	100	139 Å²	139	70%	0.699	80%	0.795	S	S	*	*			trans	165.4	116.5	132.8	-171.3	0	0	0	0	107.7
350	D	30.3	Very low	28	Very low	139 Å²	139	142 Å²	142	74%	0.743	81%	0.808	S	S	*	*				167.3	109.4	126	-79.1	-13	0	0	0	111.2
351	Q	29.2	Very low	27.5	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	82%	0.818	S	S	*	*			trans	43.3	108.9	132.9	-56.5	-169.5	1.9	0	0	119.9
352	I	24.6	Very low	27.2	Very low	164 Å²	164	147.1 Å²	147.1	84%	0.841	83%	0.825	S	S	*	*			trans	-26.6	122	148.9	-58.7	163.1	0	0	0	113.8
353	E	27	Very low	27	Very low	196 Å²	196	144.3 Å²	144.3	92%	0.916	82%	0.818	S	S	*	*			trans	-146.8	118	145.4	-116	175.8	-169.1	0	0	110.2
354	C	19.7	Very low	26.8	Very low	119 Å²	119	143.7 Å²	143.7	80%	0.804	82%	0.819	S	S	*	*			trans	-82.9	132.5	169.3	-87.4	0	0	0	0	109.1
355	S	25.3	Very low	26.9	Very low	111 Å²	111	144 Å²	144	78%	0.776	82%	0.818	S	S	*	*				167.7	146.4	127.4	46	0	0	0	0	114.3
356	S	26.1	Very low	26.8	Very low	104 Å²	104	147.9 Å²	147.9	73%	0.727	82%	0.821	S	S	*	*			trans	62.2	100.5	151.5	56.2	0	0	0	0	120.8
357	V	24.1	Very low	26.7	Very low	130 Å²	130	149.7 Å²	149.7	79%	0.788	82%	0.822	S	S	*	*				16.7	117	116.9	-170	0	0	0	0	116.2
358	D	30.5	Very low	26.5	Very low	164 Å²	164	152.6 Å²	152.6	88%	0.877	82%	0.823	S	S	*	*			trans	-143.9	106.3	142.3	-101.8	-28.5	0	0	0	108.8
359	E	24	Very low	26.8	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	81%	0.813	S	S	*	*			trans	-72.6	123.6	158.5	-70.9	-174	151.2	0	0	107.8
360	N	30.6	Very low	27	Very low	159 Å²	159	153 Å²	153	85%	0.85	82%	0.824	S	S	*	*			trans	-153.8	120.3	147.4	-111.9	-31.3	0	0	0	112.6
361	M	24.4	Very low	26.6	Very low	173 Å²	173	155.7 Å²	155.7	85%	0.852	83%	0.832	S	S	*	*			trans	-41.5	143.4	160.5	-63.5	170.8	74	0	0	111.1
362	L	29.7	Very low	26.4	Very low	169 Å²	169	152.6 Å²	152.6	89%	0.885	83%	0.829	S	S	*	*			trans	-159.7	117.1	135.7	-100	167.2	0	0	0	110.7
363	S	26.7	Very low	26.3	Very low	104 Å²	104	152.4 Å²	152.4	73%	0.727	83%	0.83	S	S	*	*			trans	-32.5	149.4	167.7	43.3	0	0	0	0	119.5
364	A	24.1	Very low	26.4	Very low	95 Å²	95	154.5 Å²	154.5	79%	0.785	83%	0.829	S	S	*	*			trans	-53	159.1	165.4	0	0	0	0	0	115.7
365	P	31.3	Very low	26.5	Very low	122 Å²	122	158.1 Å²	158.1	79%	0.792	83%	0.834	S	S	*	*			trans	-128.2	129.4	143.6	30.7	-15.2	0	0	0	112.6
366	E	25.3	Very low	26.7	Very low	173 Å²	173	157.7 Å²	157.7	81%	0.808	84%	0.838	S	S	*	*			trans	-57.8	141.2	167.2	-60.3	175.3	150.4	0	0	111.9
367	R	29.2	Very low	26.5	Very low	249 Å²	249	159.4 Å²	159.4	94%	0.94	84%	0.843	S	S	*	*			trans	-126.6	111.9	158.6	-86.8	-171.9	177.6	-178.3	1.2	110.7
368	K	24.5	Very low	26.5	Very low	202 Å²	202	158.1 Å²	158.1	88%	0.878	84%	0.84	S	S	*	*			trans	-75.2	136.8	163.7	-67.7	177.3	176.1	175.8	0	110.2
369	G	29.5	Very low	26.4	Very low	68 Å²	68	157.9 Å²	157.9	70%	0.701	83%	0.833	S	S	*	*			trans	-172.5	93.6	166.3	0	0	0	0	0	109.2
370	K	30	Very low	26.3	Very low	212 Å²	212	159.7 Å²	159.7	92%	0.922	84%	0.839	S	S	*	*				77.4	116.6	101.3	-89.7	-169.2	176.4	-177.7	0	114.8
371	E	22.4	Very low	26.2	Very low	195 Å²	195	160.7 Å²	160.7	91%	0.911	84%	0.835	S	S	*	*			trans	-47.3	145.3	170	-65.7	160	134.6	0	0	114.4
372	C	25.6	Very low	26.1	Very low	119 Å²	119	156.7 Å²	156.7	80%	0.804	84%	0.838	S	S	*	*			trans	-152.8	113.3	147.5	-164.8	0	0	0	0	109.5
373	N	23.3	Very low	25.9	Very low	159 Å²	159	153.6 Å²	153.6	85%	0.85	83%	0.831	S	S	*	*			trans	-70.7	132	165.3	-85.3	-26	0	0	0	109.8
374	R	28.7	Very low	25.9	Very low	241 Å²	241	155.5 Å²	155.5	91%	0.909	84%	0.838	S	S	*	*			trans	-158.3	113.4	151.2	-112.9	172.8	-175.4	176.8	1.1	110.7
375	E	21.7	Very low	26	Very low	195 Å²	195	154.9 Å²	154.9	91%	0.911	83%	0.833	S	S	*	*			trans	-64.7	134.3	165.2	-63.1	170.3	149.9	0	0	110.1
376	A	29.2	Very low	25.9	Very low	102 Å²	102	158.4 Å²	158.4	84%	0.843	84%	0.836	S	S	*	*			trans	-153.3	120.8	155.3	0	0	0	0	0	108.9
377	V	22.6	Very low	26	Very low	140 Å²	140	158.4 Å²	158.4	85%	0.848	84%	0.836	S	S	*	*			trans	-82.3	152.5	176.9	170.1	0	0	0	0	109.8
378	S	23.7	Very low	25.9	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	83%	0.825	S	S	*	*			trans	94.7	134	174.9	93.4	0	0	0	0	113.3
379	E	27	Very low	26.3	Very low	159 Å²	159	148.7 Å²	148.7	74%	0.743	82%	0.823	S	S	*	*			cis	-145.5	145	22.1	-71.7	178.1	143.7	0	0	110.5	K381	E379-K381 PolarHBondContact O-N 2.57Å
380	K	23.3	Very low	26.6	Very low	215 Å²	215	150.7 Å²	150.7	94%	0.935	82%	0.822	S	S	*	*			trans	-64.6	107.8	165.2	-73.9	176	173.3	179.1	0	109.6
381	K	27.5	Very low	27.1	Very low	180 Å²	180	147.7 Å²	147.7	78%	0.783	82%	0.816	S	S	*	*			trans	-130.2	114.2	155.6	-84.5	-177.6	178.1	166.3	0	108.7	E379 S383	E379-K381 PolarHBondContact O-N 2.57Å; K381-S383 PolarHBondContact O-N 3.29Å
382	G	23.1	Very low	28.2	Very low	89 Å²	89	143.2 Å²	143.2	92%	0.918	80%	0.802	S	S	*	*			trans	-58.3	118.8	-179.8	0	0	0	0	0	110.8
383	S	25.7	Very low	29.3	Very low	105 Å²	105	142 Å²	142	73%	0.734	79%	0.787	S	S	*	*			trans	-112.5	132.4	149.8	71.5	0	0	0	0	106.5	K381 A385	K381-S383 PolarHBondContact O-N 3.29Å; S383-A385 PolarHBondContact O-N 2.98Å
384	V	27.2	Very low	30.8	Very low	143 Å²	143	137.1 Å²	137.1	87%	0.867	77%	0.765	S	S	*	*			trans	-64.3	89	174.7	176.6	0	0	0	0	106.6	K386	V384-K386 PolarHBondContact O-N 2.7Å
385	A	25.7	Very low	32.4	Very low	83 Å²	83	128 Å²	128	69%	0.686	74%	0.736	S	S	*	*			trans	-71.8	107.8	168.5	0	0	0	0	0	106.2	S383 E387	S383-A385 PolarHBondContact O-N 2.98Å; A385-E387 PolarHBondContact O-N 3.47Å; A385-E387 VanDerWaalsContact O-N 3.08Å
386	K	28.4	Very low	35.1	Very low	195 Å²	195	122.9 Å²	122.9	85%	0.848	72%	0.719	S	S	*	*			trans	-49.9	115.8	165	-72.3	178.8	173.5	-177.3	0	107	V384	V384-K386 PolarHBondContact O-N 2.7Å
387	E	26.8	Very low	37.7	Very low	173 Å²	173	118.6 Å²	118.6	81%	0.808	68%	0.681	S	S	*	*			trans	-53.2	134.2	169.1	-75.6	178	160.2	0	0	107.9	A385 V389	A385-E387 PolarHBondContact O-N 3.47Å; A385-E387 VanDerWaalsContact O-N 3.08Å; E387-V389 PolarHBondContact O-N 3.18Å
388	P	28.8	Very low	40.9	Very low	111 Å²	111	114.8 Å²	114.8	72%	0.721	66%	0.659	S	S	*	*			trans	-61.4	114.4	170.6	26.4	-28.7	0	0	0	105.4	T390	P388-T390 PolarHBondContact O-N 3.48Å
389	V	32.9	Very low	44.2	Very low	137 Å²	137	111 Å²	111	83%	0.83	63%	0.632	S	S	*	*			trans	-58	96.1	164.6	178.8	0	0	0	0	104	E387 D391	E387-V389 PolarHBondContact O-N 3.18Å; V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 3.42Å
390	T	35.3	Very low	47.2	Very low	110 Å²	110	104.6 Å²	104.6	68%	0.675	60%	0.603	S	S	*	*			trans	-57.6	109.6	163.6	45	0	0	0	0	103.2	P388 V392	P388-T390 PolarHBondContact O-N 3.48Å; T390-V392 PolarHBondContact O-N 2.6Å
391	D	39.8	Very low	50.4	Low	148 Å²	148	97.8 Å²	97.8	79%	0.791	58%	0.576	S	S	*	*			trans	-58.3	87.8	168.1	-165.3	18.1	0	0	0	105.1	V389 D393	V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 3.42Å; D391-D393 VanDerWaalsContact C-N 3.29Å; D391-D393 PolarHBondContact O-N 2.96Å
392	V	45.7	Very low	53.4	Low	102 Å²	102	91 Å²	91	62%	0.618	55%	0.546	S	S	*	.			trans	-59.9	106.3	173.7	173.9	0	0	0	0	102.3	T390 S394	T390-V392 PolarHBondContact O-N 2.6Å; V392-S394 WeakPolarHBondContact O-CA 3.36Å; V392-S394 PolarHBondContact O-N 3.4Å
393	D	48	Very low	56.8	Low	94 Å²	94	86.8 Å²	86.8	50%	0.503	50%	0.503	S	S	.	.			trans	-41.8	105.8	-178.4	-174.7	-13	0	0	0	107.4	D391 T395 T396	D391-D393 VanDerWaalsContact C-N 3.29Å; D391-D393 PolarHBondContact O-N 2.96Å; D393-T395 PolarHBondContact O-N 2.91Å; D393-T395 PolarHBondContact OD1-N 2.89Å; D393-T395 PolarHBondContact OD1-OG1 3.43Å; D393-T395 PolarHBondContact OD2-OG1 2.98Å; D393-T396 WeakPolarHBondContact O-CB 3.26Å; D393-T396 PolarHBondContact O-N 3.34Å; D393-T396 PolarHBondContact O-OG1 3.15Å
394	S	55.5	Low	59.8	Low	55 Å²	55	86.4 Å²	86.4	39%	0.385	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-5.3	-168.7	61.8	0	0	0	0	112.9	T327 V392	T327-S394 WeakPolarHBondContact CG2-O 3.26Å; V392-S394 WeakPolarHBondContact O-CA 3.36Å; V392-S394 PolarHBondContact O-N 3.4Å
395	T	61.5	Low	62.7	Low	49 Å²	49	81 Å²	81	30%	0.301	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-12.4	174.2	70.3	0	0	0	0	114.3	R324 V328 D393 L397	R324-T395 PolarHBondContact NE-O 2.83Å; V328-T395 HydrophobicContact CG2-CG2 4.4Å; D393-T395 PolarHBondContact O-N 2.91Å; D393-T395 PolarHBondContact OD1-N 2.89Å; D393-T395 PolarHBondContact OD1-OG1 3.43Å; D393-T395 PolarHBondContact OD2-OG1 2.98Å; T395-L397 PolarHBondContact O-N 3.32Å
396	T	79	Confident	65.7	Low	88 Å²	88	77.2 Å²	77.2	54%	0.54	42%	0.423	S	S	.	.	S	Bend	trans	-81.1	117.4	178.6	-51.8	0	0	0	0	110.1	D393 T398	D393-T396 WeakPolarHBondContact O-CB 3.26Å; D393-T396 PolarHBondContact O-N 3.34Å; D393-T396 PolarHBondContact O-OG1 3.15Å; T396-T398 PolarHBondContact O-N 2.94Å
397	L	84.5	Confident	68.6	Low	12 Å²	12	68.7 Å²	68.7	6%	0.063	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-75.4	122.5	176.2	-74.8	158.7	0	0	0	109.7	F320 H323 T395 M401 K402 L405	F320-L397 HydrophobicContact CB-CD1 3.69Å; F320-L397 HydrophobicContact CD1-CD1 3.8Å; F320-L397 HydrophobicContact CD2-CD1 4.19Å; F320-L397 HydrophobicContact CE1-CD1 4.46Å; F320-L397 HydrophobicContact CG-CD1 3.63Å; H323-L397 HydrophobicContact CB-CD2 4.43Å; H323-L397 VanDerWaalsContact CD2-CD2 3.45Å; H323-L397 WeakPolarHBondContact CD2-CD2 3.42Å; T395-L397 PolarHBondContact O-N 3.32Å; L397-M401 HydrophobicContact CD2-CB 4.2Å; L397-K402 HydrophobicContact CB-CG 3.96Å; L397-L405 HydrophobicContact CD2-CD1 3.54Å
398	T	89.7	Confident	71.2	Confident	60 Å²	60	65.7 Å²	65.7	37%	0.368	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.9	156	170.5	69.7	0	0	0	0	110.3	T396 V400 M401 K402	T396-T398 PolarHBondContact O-N 2.94Å; T398-V400 VanDerWaalsContact C-N 3.27Å; T398-V400 PolarHBondContact O-N 3.07Å; T398-M401 HydrophobicContact CG2-SD 4.19Å; T398-M401 PolarHBondContact O-N 2.95Å; T398-M401 VanDerWaalsContact O-N 3.14Å; T398-M401 WeakPolarHBondContact OG1-CB 3.44Å; T398-M401 VanDerWaalsContact OG1-CG 3.26Å; T398-M401 WeakPolarHBondContact OG1-CG 3.43Å; T398-M401 PolarHBondContact OG1-N 3.04Å; T398-K402 PolarHBondContact O-N 2.92Å
399	P	91.8	Very high	73.6	Confident	24 Å²	24	62.2 Å²	62.2	16%	0.156	35%	0.353	C	S	.	.	H	α-helix	trans	-53	-42.1	175.3	-32.1	39.3	0	0	0	113.8	K402 L403 E455 I459	P399-K402 WeakPolarHBondContact O-CB 3.24Å; P399-K402 PolarHBondContact O-N 2.88Å; P399-L403 PolarHBondContact O-N 3.43Å; P399-E455 HydrophobicContact CB-CB 4.01Å; P399-E455 HydrophobicContact CB-CG 4.46Å; P399-E455 HydrophobicContact CG-CB 3.98Å; P399-E455 HydrophobicContact CG-CG 3.91Å; P399-I459 HydrophobicContact CB-CD1 3.82Å; P399-I459 HydrophobicContact CB-CG1 3.54Å; P399-I459 WeakPolarHBondContact O-CD1 3.22Å
400	V	90.9	Very high	75.4	Confident	23 Å²	23	59.6 Å²	59.6	14%	0.139	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-45.6	177.5	-179.6	0	0	0	0	110.8	T398 K402 L403 E404 I459 Q462	T398-V400 VanDerWaalsContact C-N 3.27Å; T398-V400 PolarHBondContact O-N 3.07Å; V400-K402 VanDerWaalsContact C-N 3.33Å; V400-K402 PolarHBondContact O-N 2.81Å; V400-L403 WeakPolarHBondContact O-CB 3.18Å; V400-L403 PolarHBondContact O-N 3Å; V400-L403 VanDerWaalsContact O-N 3.14Å; V400-E404 WeakPolarHBondContact O-CG 3.34Å; V400-E404 PolarHBondContact O-N 3.47Å; V400-I459 HydrophobicContact CG2-CG1 4.13Å; V400-Q462 HydrophobicContact CG2-CB 4.37Å
401	M	90.2	Very high	77.2	Confident	72 Å²	72	55 Å²	55	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-38.4	175.7	-73.8	172.2	163.8	0	0	112.4	L397 T398 L403 E404 L405	L397-M401 HydrophobicContact CD2-CB 4.2Å; T398-M401 HydrophobicContact CG2-SD 4.19Å; T398-M401 PolarHBondContact O-N 2.95Å; T398-M401 VanDerWaalsContact O-N 3.14Å; T398-M401 WeakPolarHBondContact OG1-CB 3.44Å; T398-M401 VanDerWaalsContact OG1-CG 3.26Å; T398-M401 WeakPolarHBondContact OG1-CG 3.43Å; T398-M401 PolarHBondContact OG1-N 3.04Å; M401-L403 VanDerWaalsContact C-N 3.33Å; M401-L403 PolarHBondContact O-N 3.23Å; M401-E404 PolarHBondContact O-N 3.4Å; M401-L405 WeakPolarHBondContact O-CB 3.42Å; M401-L405 VanDerWaalsContact O-CG 3.26Å; M401-L405 WeakPolarHBondContact O-CG 3.35Å; M401-L405 PolarHBondContact O-N 3.14Å
402	K	91.9	Very high	78.8	Confident	38 Å²	38	48.3 Å²	48.3	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-47.4	173.4	-72	-179.9	178.8	172.6	0	110.2	F320 L397 T398 P399 V400 L405 L406 P451 E455	F320-K402 HydrophobicContact CE1-CB 4.44Å; F320-K402 HydrophobicContact CE1-CG 4.4Å; F320-K402 HydrophobicContact CZ-CB 4.25Å; F320-K402 HydrophobicContact CZ-CG 4.08Å; L397-K402 HydrophobicContact CB-CG 3.96Å; T398-K402 PolarHBondContact O-N 2.92Å; P399-K402 WeakPolarHBondContact O-CB 3.24Å; P399-K402 PolarHBondContact O-N 2.88Å; V400-K402 VanDerWaalsContact C-N 3.33Å; V400-K402 PolarHBondContact O-N 2.81Å; K402-L405 PolarHBondContact O-N 2.84Å; K402-L406 VanDerWaalsContact O-CB 3.32Å; K402-L406 WeakPolarHBondContact O-CB 3.26Å; K402-L406 WeakPolarHBondContact O-CG 3.38Å; K402-L406 PolarHBondContact O-N 3.29Å; K402-P451 HydrophobicContact CB-CG 4.31Å; K402-P451 HydrophobicContact CD-CG 4.48Å; K402-E455 VanDerWaalsContact NZ-CD 3.31Å; K402-E455 IonicContact NZ-OE1 3.68Å; K402-E455 PolarHBondContact NZ-OE1 3.05Å; K402-E455 IonicContact NZ-OE2 2.81Å; K402-E455 PolarHBondContact NZ-OE2 3.24Å
403	L	92.9	Very high	80.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-45	179.4	178.2	65.7	0	0	0	112	P399 V400 M401 L406 S407 I459 L466 K515 C518 F519 I522	P399-L403 PolarHBondContact O-N 3.43Å; V400-L403 WeakPolarHBondContact O-CB 3.18Å; V400-L403 PolarHBondContact O-N 3Å; V400-L403 VanDerWaalsContact O-N 3.14Å; M401-L403 VanDerWaalsContact C-N 3.33Å; M401-L403 PolarHBondContact O-N 3.23Å; L403-L406 PolarHBondContact O-N 3.28Å; L403-S407 WeakPolarHBondContact O-CB 3.46Å; L403-S407 PolarHBondContact O-N 3.11Å; L403-I459 HydrophobicContact CB-CD1 4.16Å; L403-I459 HydrophobicContact CD2-CD1 4.46Å; L403-I459 HydrophobicContact CD2-CG2 3.86Å; L403-L466 HydrophobicContact CD2-CD1 3.87Å; L403-K515 HydrophobicContact CD2-CD 4.1Å; L403-K515 HydrophobicContact CD2-CG 3.66Å; L403-K515 HydrophobicContact CG-CG 3.95Å; L403-C518 HydrophobicContact CD1-CB 4.13Å; L403-F519 HydrophobicContact CD1-CB 4.19Å; L403-F519 HydrophobicContact CD2-CB 4.4Å; L403-F519 HydrophobicContact CD2-CD2 3.92Å; L403-I522 HydrophobicContact CD1-CD1 3.72Å
404	E	88.9	Confident	82.8	Confident	98 Å²	98	41.1 Å²	41.1	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-57.1	-52.3	176.5	-71.9	172.1	169.6	0	0	111	V400 M401 L406 S407	V400-E404 WeakPolarHBondContact O-CG 3.34Å; V400-E404 PolarHBondContact O-N 3.47Å; M401-E404 PolarHBondContact O-N 3.4Å; E404-L406 PolarHBondContact O-N 3.46Å; E404-S407 WeakPolarHBondContact O-CB 3.24Å; E404-S407 PolarHBondContact O-N 3.37Å; E404-S407 VanDerWaalsContact O-N 3.13Å; E404-S407 PolarHBondContact O-OG 3.48Å
405	L	88.2	Confident	84.5	Confident	30 Å²	30	38.6 Å²	38.6	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-41.6	178.3	-73	176.9	0	0	0	112.9	F320 H323 L397 M401 K402 S407 D408	F320-L405 HydrophobicContact CD1-CB 4.42Å; F320-L405 HydrophobicContact CD1-CD1 3.91Å; F320-L405 HydrophobicContact CE1-CB 4.22Å; F320-L405 HydrophobicContact CE1-CD1 4.31Å; H323-L405 HydrophobicContact CB-CD1 3.76Å; H323-L405 HydrophobicContact CB-CD2 4.27Å; L397-L405 HydrophobicContact CD2-CD1 3.54Å; M401-L405 WeakPolarHBondContact O-CB 3.42Å; M401-L405 VanDerWaalsContact O-CG 3.26Å; M401-L405 WeakPolarHBondContact O-CG 3.35Å; M401-L405 PolarHBondContact O-N 3.14Å; K402-L405 PolarHBondContact O-N 2.84Å; L405-S407 VanDerWaalsContact C-N 3.32Å; L405-D408 PolarHBondContact O-N 2.81Å
406	L	89.8	Confident	86.1	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-31.4	177.5	-70.5	170.9	0	0	0	112	I316 F320 K402 L403 E404 D408 L409 W411 L450 P451 I522	I316-L406 HydrophobicContact CG1-CD2 3.86Å; I316-L406 HydrophobicContact CG2-CD2 4.19Å; F320-L406 HydrophobicContact CE1-CD2 4.29Å; F320-L406 HydrophobicContact CE1-CG 4.2Å; F320-L406 HydrophobicContact CZ-CD1 4.33Å; F320-L406 HydrophobicContact CZ-CD2 4.13Å; F320-L406 HydrophobicContact CZ-CG 4.15Å; K402-L406 VanDerWaalsContact O-CB 3.32Å; K402-L406 WeakPolarHBondContact O-CB 3.26Å; K402-L406 WeakPolarHBondContact O-CG 3.38Å; K402-L406 PolarHBondContact O-N 3.29Å; L403-L406 PolarHBondContact O-N 3.28Å; E404-L406 PolarHBondContact O-N 3.46Å; L406-D408 PolarHBondContact O-N 3Å; L406-L409 HydrophobicContact CD2-CD1 4.07Å; L406-L409 PolarHBondContact O-N 3.11Å; L406-L409 VanDerWaalsContact O-N 3.15Å; L406-W411 HydrophobicContact CD2-CZ2 4.26Å; L406-L450 HydrophobicContact CD1-CD2 4.11Å; L406-L450 HydrophobicContact CD2-CD2 4.42Å; L406-P451 HydrophobicContact CD1-CG 4.44Å; L406-I522 HydrophobicContact CD1-CD1 3.87Å
407	S	88.5	Confident	86.8	Confident	17 Å²	17	32.1 Å²	32.1	12%	0.119	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-18.4	179.3	79.6	0	0	0	0	113.3	L403 E404 L405 L409 K514 C518	L403-S407 WeakPolarHBondContact O-CB 3.46Å; L403-S407 PolarHBondContact O-N 3.11Å; E404-S407 WeakPolarHBondContact O-CB 3.24Å; E404-S407 PolarHBondContact O-N 3.37Å; E404-S407 VanDerWaalsContact O-N 3.13Å; E404-S407 PolarHBondContact O-OG 3.48Å; L405-S407 VanDerWaalsContact C-N 3.32Å; S407-L409 VanDerWaalsContact C-N 3.34Å; S407-K514 WeakPolarHBondContact O-CE 2.98Å; S407-K514 PolarHBondContact O-NZ 3.47Å; S407-K514 VanDerWaalsContact O-NZ 3.1Å; S407-C518 VanDerWaalsContact CA-SG 3.55Å
408	D	80.6	Confident	87.3	Confident	109 Å²	109	31.6 Å²	31.6	58%	0.583	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-1	175.9	-70.4	-29.6	0	0	0	114.6	L405 L406 K514	L405-D408 PolarHBondContact O-N 2.81Å; L406-D408 PolarHBondContact O-N 3Å; D408-K514 IonicContact OD1-NZ 2.86Å; D408-K514 PolarHBondContact OD1-NZ 2.82Å
409	L	80.8	Confident	87.6	Confident	39 Å²	39	28.9 Å²	28.9	20%	0.204	15%	0.15	C	C	.	.			trans	-95.7	137.1	176.9	-53.8	176.3	0	0	0	110.4	C319 L406 S407 W411 P412	C319-L409 HydrophobicContact CB-CD1 4.21Å; C319-L409 HydrophobicContact CB-CD2 4.39Å; L406-L409 HydrophobicContact CD2-CD1 4.07Å; L406-L409 PolarHBondContact O-N 3.11Å; L406-L409 VanDerWaalsContact O-N 3.15Å; S407-L409 VanDerWaalsContact C-N 3.34Å; L409-W411 HydrophobicContact CD1-CZ2 4.17Å; L409-P412 HydrophobicContact CB-CG 4.3Å; L409-P412 WeakPolarHBondContact O-CD 3.4Å
410	D	70.3	Confident	87.7	Confident	82 Å²	82	28.5 Å²	28.5	44%	0.439	15%	0.148	S	C	.	.	S	Bend	trans	-82.1	-23.4	177.7	-69.5	-36.4	0	0	0	113.6	I413	D410-I413 PolarHBondContact O-N 3.01Å
411	W	72.4	Confident	87.9	Confident	14 Å²	14	27.7 Å²	27.7	5%	0.053	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-25.6	-175.3	70.4	-99.2	0	0	0	115.5	I316 L406 L409 I413 V414 L415 M446 L450 L525	I316-W411 HydrophobicContact CD1-CH2 3.58Å; I316-W411 HydrophobicContact CD1-CZ2 3.46Å; I316-W411 VanDerWaalsContact CD1-CZ2 3.46Å; I316-W411 HydrophobicContact CG1-CH2 3.95Å; I316-W411 HydrophobicContact CG1-CZ2 3.26Å; L406-W411 HydrophobicContact CD2-CZ2 4.26Å; L409-W411 HydrophobicContact CD1-CZ2 4.17Å; W411-I413 PolarHBondContact O-N 3.31Å; W411-V414 PolarHBondContact O-N 2.8Å; W411-L415 HydrophobicContact CE3-CB 4.05Å; W411-L415 HydrophobicContact CE3-CD2 4.11Å; W411-L415 HydrophobicContact CZ3-CB 4.26Å; W411-L415 HydrophobicContact CZ3-CD2 3.75Å; W411-L415 PolarHBondContact O-N 3.48Å; W411-M446 HydrophobicContact CH2-SD 4.22Å; W411-M446 HydrophobicContact CZ3-SD 4.19Å; W411-L450 HydrophobicContact CH2-CD2 4.24Å; W411-L525 HydrophobicContact CZ3-CD1 4.42Å
412	P	73.6	Confident	88.1	Confident	7 Å²	7	24.3 Å²	24.3	5%	0.045	13%	0.126	C	C	.	.	H	α-helix	trans	-55	-34.9	176.3	-27.2	36.7	0	0	0	112.3	L409 R416	L409-P412 HydrophobicContact CB-CG 4.3Å; L409-P412 WeakPolarHBondContact O-CD 3.4Å; P412-R416 WeakPolarHBondContact O-CB 3.23Å; P412-R416 PolarHBondContact O-N 3.02Å
413	I	88.4	Confident	88.2	Confident	41 Å²	41	26.5 Å²	26.5	21%	0.21	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-52.3	174.7	-59.1	169.8	0	0	0	109.9	V273 D410 W411 L415 R416 V417 E489	V273-I413 HydrophobicContact CG2-CG2 4.05Å; D410-I413 PolarHBondContact O-N 3.01Å; W411-I413 PolarHBondContact O-N 3.31Å; I413-L415 PolarHBondContact O-N 2.99Å; I413-R416 PolarHBondContact O-N 3.34Å; I413-V417 HydrophobicContact CG2-CG2 4.42Å; I413-V417 WeakPolarHBondContact O-CB 3.46Å; I413-V417 VanDerWaalsContact O-CG2 3.25Å; I413-V417 WeakPolarHBondContact O-CG2 3.45Å; I413-V417 PolarHBondContact O-N 3.44Å; I413-E489 HydrophobicContact CG2-CB 4.19Å; I413-E489 HydrophobicContact CG2-CG 4.41Å
414	V	88.5	Confident	88.1	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-59.2	-51	-176.2	-167.7	0	0	0	0	110.4	G269 V272 V273 L308 W411 V417 F418	G269-V414 WeakPolarHBondContact O-CG2 3.39Å; V272-V414 HydrophobicContact CB-CG1 4.19Å; V272-V414 HydrophobicContact CB-CG2 4.5Å; V272-V414 HydrophobicContact CG1-CG1 3.62Å; V273-V414 HydrophobicContact CG2-CB 4.31Å; V273-V414 HydrophobicContact CG2-CG1 4.43Å; V273-V414 HydrophobicContact CG2-CG2 4.05Å; L308-V414 HydrophobicContact CD1-CG1 3.7Å; L308-V414 HydrophobicContact CD2-CB 4.49Å; L308-V414 HydrophobicContact CD2-CG1 3.74Å; L308-V414 HydrophobicContact CG-CG1 4.36Å; W411-V414 PolarHBondContact O-N 2.8Å; V414-V417 PolarHBondContact O-N 3.35Å; V414-F418 HydrophobicContact CG1-CD2 4.23Å; V414-F418 HydrophobicContact CG1-CE2 4.18Å; V414-F418 WeakPolarHBondContact O-CD2 3.45Å; V414-F418 PolarHBondContact O-N 3.25Å; V414-F418 VanDerWaalsContact O-N 3.11Å
415	L	92.5	Very high	88.1	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-39.5	-175.9	-167.5	65.7	0	0	0	111.6	F305 L308 V309 W411 I413 V417 F418 C419 M446 L525	F305-L415 HydrophobicContact CD2-CD1 4.03Å; F305-L415 HydrophobicContact CE2-CD1 3.49Å; F305-L415 VanDerWaalsContact CE2-CD1 3.49Å; F305-L415 HydrophobicContact CZ-CD1 4.38Å; L308-L415 HydrophobicContact CB-CD1 4.38Å; V309-L415 HydrophobicContact CG2-CD1 3.8Å; W411-L415 HydrophobicContact CE3-CB 4.05Å; W411-L415 HydrophobicContact CE3-CD2 4.11Å; W411-L415 HydrophobicContact CZ3-CB 4.26Å; W411-L415 HydrophobicContact CZ3-CD2 3.75Å; W411-L415 PolarHBondContact O-N 3.48Å; I413-L415 PolarHBondContact O-N 2.99Å; L415-V417 VanDerWaalsContact C-N 3.35Å; L415-V417 PolarHBondContact O-N 3.2Å; L415-F418 PolarHBondContact O-N 3.04Å; L415-C419 WeakPolarHBondContact O-CB 3.44Å; L415-C419 PolarHBondContact O-N 3.21Å; L415-C419 PolarHBondContact O-SG 3.48Å; L415-M446 HydrophobicContact CD2-CE 3.25Å; L415-M446 HydrophobicContact CD2-CG 4.31Å; L415-M446 HydrophobicContact CD2-SD 3.73Å; L415-M446 HydrophobicContact CG-CE 4.44Å; L415-L525 HydrophobicContact CB-CD2 4.42Å; L415-L525 HydrophobicContact CD2-CD2 4.23Å; L415-L525 HydrophobicContact CG-CD2 4Å
416	R	94.3	Very high	88.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-44.5	175.4	-177.3	-93.1	160.2	-167	-5	111.3	P412 I413 F418 C419 S420 D490 R521 C524 L525	P412-R416 WeakPolarHBondContact O-CB 3.23Å; P412-R416 PolarHBondContact O-N 3.02Å; I413-R416 PolarHBondContact O-N 3.34Å; R416-F418 PolarHBondContact O-N 3.26Å; R416-C419 PolarHBondContact O-N 3.33Å; R416-S420 PolarHBondContact NE-OG 3.43Å; R416-S420 PolarHBondContact NH2-OG 3.41Å; R416-S420 WeakPolarHBondContact O-CB 3.12Å; R416-S420 PolarHBondContact O-N 3.2Å; R416-S420 PolarHBondContact O-OG 2.75Å; R416-D490 IonicContact CZ-OD1 3.64Å; R416-D490 IonicContact CZ-OD2 2.76Å; R416-D490 VanDerWaalsContact NH1-CG 3.33Å; R416-D490 IonicContact NH1-OD1 3.23Å; R416-D490 PolarHBondContact NH1-OD1 3.22Å; R416-D490 IonicContact NH1-OD2 3.57Å; R416-D490 PolarHBondContact NH1-OD2 2.77Å; R416-D490 IonicContact NH2-OD1 3.06Å; R416-D490 PolarHBondContact NH2-OD1 3.08Å; R416-D490 IonicContact NH2-OD2 2.72Å; R416-D490 PolarHBondContact NH2-OD2 2.87Å; R416-R521 HydrophobicContact CB-CB 4.45Å; R416-R521 HydrophobicContact CB-CG 4.32Å; R416-R521 HydrophobicContact CG-CB 4.37Å; R416-R521 HydrophobicContact CG-CG 4.17Å; R416-C524 HydrophobicContact CG-CB 3.74Å; R416-L525 HydrophobicContact CB-CD2 4.4Å; R416-L525 HydrophobicContact CB-CG 4.47Å
417	V	94.3	Very high	88.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-45.2	176.9	166.1	0	0	0	0	111.4	F276 I413 V414 L415 S420 W421 E489 L493	F276-V417 HydrophobicContact CD1-CG1 3.68Å; F276-V417 HydrophobicContact CE1-CG1 3.49Å; F276-V417 VanDerWaalsContact CE1-CG1 3.49Å; F276-V417 HydrophobicContact CZ-CG1 4.5Å; I413-V417 HydrophobicContact CG2-CG2 4.42Å; I413-V417 WeakPolarHBondContact O-CB 3.46Å; I413-V417 VanDerWaalsContact O-CG2 3.25Å; I413-V417 WeakPolarHBondContact O-CG2 3.45Å; I413-V417 PolarHBondContact O-N 3.44Å; V414-V417 PolarHBondContact O-N 3.35Å; L415-V417 VanDerWaalsContact C-N 3.35Å; L415-V417 PolarHBondContact O-N 3.2Å; V417-S420 PolarHBondContact O-N 3.35Å; V417-W421 WeakPolarHBondContact O-CB 3.32Å; V417-W421 PolarHBondContact O-N 3.48Å; V417-E489 HydrophobicContact CG2-CB 3.67Å; V417-E489 HydrophobicContact CG2-CG 3.79Å; V417-L493 HydrophobicContact CB-CD1 4.33Å; V417-L493 HydrophobicContact CG1-CD1 3.42Å; V417-L493 VanDerWaalsContact CG1-CD1 3.42Å; V417-L493 HydrophobicContact CG2-CD1 3.87Å
418	F	94.2	Very high	88.3	Confident	2 Å²	2	36 Å²	36	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-44.4	176.8	-93.1	-103.1	0	0	0	112.5	F276 A304 F305 L308 V414 L415 R416 W421 L422	F276-F418 HydrophobicContact CB-CE2 3.73Å; F276-F418 HydrophobicContact CB-CZ 4.07Å; F276-F418 HydrophobicContact CD1-CD2 4.39Å; F276-F418 HydrophobicContact CD1-CE2 4.26Å; F276-F418 AromaticContact CD2-CD1 3.97Å; F276-F418 HydrophobicContact CD2-CD1 3.97Å; F276-F418 AromaticContact CD2-CD2 3.79Å; F276-F418 HydrophobicContact CD2-CD2 3.79Å; F276-F418 AromaticContact CD2-CE1 3.43Å; F276-F418 HydrophobicContact CD2-CE1 3.43Å; F276-F418 VanDerWaalsContact CD2-CE1 3.43Å; F276-F418 AromaticContact CD2-CE2 3.22Å; F276-F418 HydrophobicContact CD2-CE2 3.22Å; F276-F418 HydrophobicContact CD2-CG 4.16Å; F276-F418 AromaticContact CD2-CZ 3.04Å; F276-F418 HydrophobicContact CD2-CZ 3.04Å; F276-F418 AromaticContact CE2-CD1 3.53Å; F276-F418 HydrophobicContact CE2-CD1 3.53Å; F276-F418 AromaticContact CE2-CD2 3.86Å; F276-F418 HydrophobicContact CE2-CD2 3.86Å; F276-F418 AromaticContact CE2-CE1 3.41Å; F276-F418 HydrophobicContact CE2-CE1 3.41Å; F276-F418 VanDerWaalsContact CE2-CE1 3.41Å; F276-F418 AromaticContact CE2-CE2 3.75Å; F276-F418 HydrophobicContact CE2-CE2 3.75Å; F276-F418 AromaticContact CE2-CG 3.79Å; F276-F418 HydrophobicContact CE2-CG 3.79Å; F276-F418 AromaticContact CE2-CZ 3.55Å; F276-F418 HydrophobicContact CE2-CZ 3.55Å; F276-F418 HydrophobicContact CG-CD2 4Å; F276-F418 HydrophobicContact CG-CE1 4.47Å; F276-F418 AromaticContact CG-CE2 3.46Å; F276-F418 HydrophobicContact CG-CE2 3.46Å; F276-F418 VanDerWaalsContact CG-CE2 3.46Å; F276-F418 AromaticContact CG-CZ 3.76Å; F276-F418 HydrophobicContact CG-CZ 3.76Å; F276-F418 HydrophobicContact CZ-CD1 4.27Å; F276-F418 HydrophobicContact CZ-CD2 4.25Å; F276-F418 HydrophobicContact CZ-CE2 4.48Å; F276-F418 HydrophobicContact CZ-CG 4.17Å; A304-F418 HydrophobicContact CB-CZ 4.41Å; F305-F418 HydrophobicContact CB-CD1 3.8Å; F305-F418 HydrophobicContact CB-CE1 4.01Å; F305-F418 HydrophobicContact CD2-CB 3.63Å; F305-F418 AromaticContact CD2-CD1 3.73Å; F305-F418 HydrophobicContact CD2-CD1 3.73Å; F305-F418 AromaticContact CD2-CG 3.95Å; F305-F418 HydrophobicContact CD2-CG 3.95Å; F305-F418 HydrophobicContact CE2-CB 3.87Å; F305-F418 HydrophobicContact CG-CD1 4.09Å; L308-F418 HydrophobicContact CD1-CD2 3.77Å; L308-F418 HydrophobicContact CD1-CE1 4.24Å; L308-F418 HydrophobicContact CD1-CE2 3.39Å; L308-F418 HydrophobicContact CD1-CG 4.3Å; L308-F418 HydrophobicContact CD1-CZ 3.63Å; V414-F418 HydrophobicContact CG1-CD2 4.23Å; V414-F418 HydrophobicContact CG1-CE2 4.18Å; V414-F418 WeakPolarHBondContact O-CD2 3.45Å; V414-F418 PolarHBondContact O-N 3.25Å; V414-F418 VanDerWaalsContact O-N 3.11Å; L415-F418 PolarHBondContact O-N 3.04Å; R416-F418 PolarHBondContact O-N 3.26Å; F418-W421 PolarHBondContact O-N 3.27Å; F418-L422 WeakPolarHBondContact O-CG 3.37Å; F418-L422 PolarHBondContact O-N 3.29Å
419	C	95.9	Very high	88.9	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-42.7	177.6	-70.5	0	0	0	0	111.9	L415 R416 W421 L422 R423 L525 F528	L415-C419 WeakPolarHBondContact O-CB 3.44Å; L415-C419 PolarHBondContact O-N 3.21Å; L415-C419 PolarHBondContact O-SG 3.48Å; R416-C419 PolarHBondContact O-N 3.33Å; C419-W421 VanDerWaalsContact C-N 3.34Å; C419-L422 PolarHBondContact O-N 3.43Å; C419-R423 PolarHBondContact O-N 2.95Å; C419-R423 VanDerWaalsContact O-N 3.11Å; C419-L525 HydrophobicContact CB-CD2 4.22Å; C419-F528 HydrophobicContact CB-CB 4.12Å; C419-F528 HydrophobicContact CB-CD1 3.72Å; C419-F528 HydrophobicContact CB-CD2 4.16Å; C419-F528 HydrophobicContact CB-CE1 4.13Å; C419-F528 HydrophobicContact CB-CG 3.73Å; C419-F528 WeakPolarHBondContact O-CD2 3.48Å; C419-F528 WeakPolarHBondContact O-CE2 3.48Å; C419-F528 VanDerWaalsContact SG-CD1 3.54Å
420	S	95	Very high	89.4	Confident	17 Å²	17	31.9 Å²	31.9	12%	0.119	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-38.8	174.7	-71.2	0	0	0	0	112.1	R416 V417 R423	R416-S420 PolarHBondContact NE-OG 3.43Å; R416-S420 PolarHBondContact NH2-OG 3.41Å; R416-S420 WeakPolarHBondContact O-CB 3.12Å; R416-S420 PolarHBondContact O-N 3.2Å; R416-S420 PolarHBondContact O-OG 2.75Å; V417-S420 PolarHBondContact O-N 3.35Å; S420-R423 WeakPolarHBondContact O-CB 3.47Å; S420-R423 PolarHBondContact O-N 3.47Å
421	W	94.5	Very high	90.3	Very high	6 Å²	6	30 Å²	30	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-45.1	174.7	167.6	70.7	0	0	0	112.4	F276 L283 M301 V417 F418 C419 R423 T424 L428 L497	F276-W421 HydrophobicContact CE1-CB 4.14Å; F276-W421 HydrophobicContact CE1-CG 4.33Å; F276-W421 HydrophobicContact CE2-CD2 4Å; F276-W421 AromaticContact CE2-CE3 3.77Å; F276-W421 HydrophobicContact CE2-CE3 3.77Å; F276-W421 HydrophobicContact CE2-CG 4.41Å; F276-W421 HydrophobicContact CE2-CZ3 4.27Å; F276-W421 HydrophobicContact CZ-CB 3.6Å; F276-W421 AromaticContact CZ-CD2 3.58Å; F276-W421 HydrophobicContact CZ-CD2 3.58Å; F276-W421 AromaticContact CZ-CE3 3.71Å; F276-W421 HydrophobicContact CZ-CE3 3.71Å; F276-W421 AromaticContact CZ-CG 3.53Å; F276-W421 HydrophobicContact CZ-CG 3.53Å; L283-W421 HydrophobicContact CD2-CH2 4.48Å; L283-W421 HydrophobicContact CD2-CZ2 3.62Å; M301-W421 HydrophobicContact CB-CH2 3.97Å; M301-W421 HydrophobicContact CB-CZ3 4.29Å; M301-W421 HydrophobicContact CE-CD2 3.97Å; M301-W421 HydrophobicContact CE-CE3 4.01Å; M301-W421 HydrophobicContact CE-CH2 3.35Å; M301-W421 HydrophobicContact CE-CZ2 3.28Å; M301-W421 HydrophobicContact CE-CZ3 3.71Å; M301-W421 HydrophobicContact CG-CH2 4.43Å; M301-W421 HydrophobicContact SD-CH2 3.68Å; M301-W421 HydrophobicContact SD-CZ2 3.69Å; M301-W421 HydrophobicContact SD-CZ3 4.5Å; V417-W421 WeakPolarHBondContact O-CB 3.32Å; V417-W421 PolarHBondContact O-N 3.48Å; F418-W421 PolarHBondContact O-N 3.27Å; C419-W421 VanDerWaalsContact C-N 3.34Å; W421-R423 PolarHBondContact O-N 2.94Å; W421-T424 WeakPolarHBondContact O-CB 3.36Å; W421-T424 WeakPolarHBondContact O-CG2 3.21Å; W421-T424 PolarHBondContact O-N 3.42Å; W421-T424 PolarHBondContact O-OG1 2.97Å; W421-L428 HydrophobicContact CH2-CD1 4.19Å; W421-L428 HydrophobicContact CZ2-CD1 3.56Å; W421-L428 HydrophobicContact CZ2-CD2 4.44Å; W421-L497 HydrophobicContact CB-CD2 3.98Å
422	L	94.6	Very high	91.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-35.4	176.7	-75.4	173.3	0	0	0	112	F305 F418 C419 T424 D425 L428 I429 V432 W440 F528	F305-L422 HydrophobicContact CD1-CD1 3.87Å; F305-L422 HydrophobicContact CE1-CD1 3.62Å; F305-L422 HydrophobicContact CE2-CD1 4.34Å; F305-L422 HydrophobicContact CG-CD1 4.4Å; F305-L422 HydrophobicContact CZ-CD1 3.87Å; F418-L422 WeakPolarHBondContact O-CG 3.37Å; F418-L422 PolarHBondContact O-N 3.29Å; C419-L422 PolarHBondContact O-N 3.43Å; L422-T424 PolarHBondContact O-N 3.22Å; L422-D425 PolarHBondContact O-N 2.96Å; L422-L428 HydrophobicContact CD2-CB 4.3Å; L422-I429 HydrophobicContact CB-CG1 4.15Å; L422-I429 WeakPolarHBondContact O-CG1 3.46Å; L422-V432 HydrophobicContact CD2-CG2 3.9Å; L422-W440 HydrophobicContact CD1-CH2 4.47Å; L422-F528 HydrophobicContact CB-CE2 4.02Å; L422-F528 HydrophobicContact CB-CZ 3.9Å; L422-F528 HydrophobicContact CD1-CZ 4.03Å
423	R	93.7	Very high	91.7	Very high	85 Å²	85	30.2 Å²	30.2	32%	0.321	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.6	175.6	-171.6	-174.4	-71.6	-109.6	12.1	113.6	C419 S420 W421 D425 S527 F528	C419-R423 PolarHBondContact O-N 2.95Å; C419-R423 VanDerWaalsContact O-N 3.11Å; S420-R423 WeakPolarHBondContact O-CB 3.47Å; S420-R423 PolarHBondContact O-N 3.47Å; W421-R423 PolarHBondContact O-N 2.94Å; R423-D425 VanDerWaalsContact C-N 3.28Å; R423-D425 PolarHBondContact O-N 2.88Å; R423-S527 PolarHBondContact NH2-O 3.32Å; R423-S527 PolarHBondContact NH2-OG 3.23Å; R423-S527 VanDerWaalsContact NH2-OG 3.09Å; R423-F528 HydrophobicContact CB-CD2 4.39Å; R423-F528 HydrophobicContact CB-CE2 4.43Å
424	T	91.4	Very high	91.5	Very high	64 Å²	64	35.1 Å²	35.1	39%	0.393	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.5	-179.1	66.2	0	0	0	0	113.6	W421 L422 L497	W421-T424 WeakPolarHBondContact O-CB 3.36Å; W421-T424 WeakPolarHBondContact O-CG2 3.21Å; W421-T424 PolarHBondContact O-N 3.42Å; W421-T424 PolarHBondContact O-OG1 2.97Å; L422-T424 PolarHBondContact O-N 3.22Å; T424-L497 VanDerWaalsContact CG2-O 3.31Å; T424-L497 WeakPolarHBondContact CG2-O 3.44Å
425	D	89.2	Confident	91.2	Very high	64 Å²	64	38 Å²	38	34%	0.342	20%	0.199	S	C	.	.			trans	-150.5	111	-179.4	-177.6	2.4	0	0	0	111.3	L422 R423 I427 L428 I429	L422-D425 PolarHBondContact O-N 2.96Å; R423-D425 VanDerWaalsContact C-N 3.28Å; R423-D425 PolarHBondContact O-N 2.88Å; D425-I427 PolarHBondContact O-N 3.3Å; D425-I427 VanDerWaalsContact O-N 3.1Å; D425-I427 VanDerWaalsContact OD1-CB 3.25Å; D425-I427 WeakPolarHBondContact OD1-CB 3.26Å; D425-I427 WeakPolarHBondContact OD1-CG1 3.49Å; D425-I427 PolarHBondContact OD1-N 3.39Å; D425-L428 HydrophobicContact CB-CB 4.4Å; D425-L428 HydrophobicContact CB-CD1 3.89Å; D425-L428 HydrophobicContact CB-CG 3.91Å; D425-L428 VanDerWaalsContact O-CB 3.32Å; D425-L428 WeakPolarHBondContact O-CB 3.35Å; D425-L428 PolarHBondContact O-N 2.86Å; D425-I429 PolarHBondContact O-N 3.46Å
426	D	91.6	Very high	90.6	Very high	73 Å²	73	38.1 Å²	38.1	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-56.5	-26.3	177.7	-68.3	-13.5	0	0	0	113	L428 I429 S430 H531 M535	D426-L428 VanDerWaalsContact C-N 3.33Å; D426-I429 PolarHBondContact O-N 2.65Å; D426-S430 PolarHBondContact O-N 3.23Å; D426-S430 PolarHBondContact O-OG 3.03Å; D426-H531 IonicContact OD1-NE2 2.58Å; D426-M535 HydrophobicContact CB-CE 3.6Å; D426-M535 WeakPolarHBondContact OD2-CE 3.5Å
427	I	90.6	Very high	89.6	Confident	122 Å²	122	41.2 Å²	41.2	63%	0.626	22%	0.221	S	C	*	.	H	α-helix	trans	-66.8	-38.3	175.5	-58.4	174.3	0	0	0	109.9	D425 S430 Y431	D425-I427 PolarHBondContact O-N 3.3Å; D425-I427 VanDerWaalsContact O-N 3.1Å; D425-I427 VanDerWaalsContact OD1-CB 3.25Å; D425-I427 WeakPolarHBondContact OD1-CB 3.26Å; D425-I427 WeakPolarHBondContact OD1-CG1 3.49Å; D425-I427 PolarHBondContact OD1-N 3.39Å; I427-S430 PolarHBondContact O-N 3.14Å; I427-Y431 WeakPolarHBondContact O-CB 3.39Å; I427-Y431 PolarHBondContact O-N 2.81Å
428	L	89	Confident	88.8	Confident	22 Å²	22	42.7 Å²	42.7	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-41.2	176.4	-65.8	176	0	0	0	111.6	W421 L422 D425 D426 S430 Y431 V432	W421-L428 HydrophobicContact CH2-CD1 4.19Å; W421-L428 HydrophobicContact CZ2-CD1 3.56Å; W421-L428 HydrophobicContact CZ2-CD2 4.44Å; L422-L428 HydrophobicContact CD2-CB 4.3Å; D425-L428 HydrophobicContact CB-CB 4.4Å; D425-L428 HydrophobicContact CB-CD1 3.89Å; D425-L428 HydrophobicContact CB-CG 3.91Å; D425-L428 VanDerWaalsContact O-CB 3.32Å; D425-L428 WeakPolarHBondContact O-CB 3.35Å; D425-L428 PolarHBondContact O-N 2.86Å; D426-L428 VanDerWaalsContact C-N 3.33Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.36Å; L428-Y431 PolarHBondContact O-N 3.39Å; L428-V432 WeakPolarHBondContact O-CB 3.43Å; L428-V432 WeakPolarHBondContact O-CG2 3.4Å; L428-V432 PolarHBondContact O-N 2.97Å
429	I	93	Very high	88.5	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-48.8	174	-65.3	175.7	0	0	0	109.8	L422 D425 D426 Y431 V432 G433 W440 F528 L532 V537	L422-I429 HydrophobicContact CB-CG1 4.15Å; L422-I429 WeakPolarHBondContact O-CG1 3.46Å; D425-I429 PolarHBondContact O-N 3.46Å; D426-I429 PolarHBondContact O-N 2.65Å; I429-Y431 VanDerWaalsContact C-N 3.34Å; I429-Y431 PolarHBondContact O-N 2.82Å; I429-V432 PolarHBondContact O-N 3.34Å; I429-G433 PolarHBondContact O-N 2.93Å; I429-W440 HydrophobicContact CG2-CH2 4.07Å; I429-W440 HydrophobicContact CG2-CZ2 3.82Å; I429-W440 WeakPolarHBondContact O-CZ2 3.34Å; I429-F528 HydrophobicContact CD1-CE2 4.29Å; I429-L532 HydrophobicContact CD1-CD2 4.35Å; I429-L532 HydrophobicContact CG2-CD2 3.7Å; I429-V537 HydrophobicContact CG2-CG2 4.04Å
430	S	91.2	Very high	88.3	Confident	60 Å²	60	43.6 Å²	43.6	42%	0.42	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-44.3	178.7	-60.1	0	0	0	0	111.6	D426 I427 L428 G433 Q434	D426-S430 PolarHBondContact O-N 3.23Å; D426-S430 PolarHBondContact O-OG 3.03Å; I427-S430 PolarHBondContact O-N 3.14Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.36Å; S430-G433 PolarHBondContact O-N 3.22Å; S430-Q434 WeakPolarHBondContact O-CB 3.1Å; S430-Q434 VanDerWaalsContact O-CG 3.24Å; S430-Q434 WeakPolarHBondContact O-CG 3.33Å; S430-Q434 PolarHBondContact O-N 3.44Å
431	Y	88.8	Confident	88	Confident	42 Å²	42	43 Å²	43	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-48.8	178.9	-178	-88.6	0	0	0	112.1	E295 S298 I427 L428 I429 G433 Q434 H435	E295-Y431 HydrophobicContact CG-CE2 4.21Å; E295-Y431 WeakPolarHBondContact CG-OH 3.4Å; E295-Y431 PolarHBondContact O-OH 3.39Å; S298-Y431 VanDerWaalsContact CB-CE1 3.46Å; I427-Y431 WeakPolarHBondContact O-CB 3.39Å; I427-Y431 PolarHBondContact O-N 2.81Å; L428-Y431 PolarHBondContact O-N 3.39Å; I429-Y431 VanDerWaalsContact C-N 3.34Å; I429-Y431 PolarHBondContact O-N 2.82Å; Y431-G433 VanDerWaalsContact C-N 3.33Å; Y431-G433 PolarHBondContact O-N 3.24Å; Y431-Q434 PolarHBondContact O-N 3.32Å; Y431-H435 AromaticContact CD1-ND1 3.91Å; Y431-H435 AromaticContact CD2-CE1 3.53Å; Y431-H435 AromaticContact CD2-ND1 3.59Å; Y431-H435 AromaticContact CE1-ND1 3.84Å; Y431-H435 AromaticContact CE2-CE1 3.27Å; Y431-H435 WeakPolarHBondContact CE2-CE1 3.34Å; Y431-H435 AromaticContact CE2-ND1 3.52Å; Y431-H435 AromaticContact CE2-NE2 3.95Å; Y431-H435 AromaticContact CG-ND1 3.79Å; Y431-H435 AromaticContact CZ-CE1 3.76Å; Y431-H435 AromaticContact CZ-ND1 3.66Å; Y431-H435 PolarHBondContact O-N 2.97Å; Y431-H435 PolarHBondContact O-ND1 2.76Å
432	V	88.9	Confident	87.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-42.6	178.3	169.6	0	0	0	0	110.7	F305 L422 L428 I429 Q434 H435 S436 I439 W440	F305-V432 HydrophobicContact CD1-CG1 4.34Å; L422-V432 HydrophobicContact CD2-CG2 3.9Å; L428-V432 WeakPolarHBondContact O-CB 3.43Å; L428-V432 WeakPolarHBondContact O-CG2 3.4Å; L428-V432 PolarHBondContact O-N 2.97Å; I429-V432 PolarHBondContact O-N 3.34Å; V432-Q434 VanDerWaalsContact C-N 3.31Å; V432-Q434 PolarHBondContact O-N 3.06Å; V432-H435 PolarHBondContact O-N 2.73Å; V432-S436 WeakPolarHBondContact O-CB 3.31Å; V432-S436 PolarHBondContact O-N 2.83Å; V432-I439 HydrophobicContact CG1-CD1 3.78Å; V432-I439 HydrophobicContact CG1-CG2 4.41Å; V432-W440 HydrophobicContact CG1-CH2 4.41Å; V432-W440 HydrophobicContact CG1-CZ2 4.41Å
433	G	85.9	Confident	87.6	Confident	24 Å²	24	43.2 Å²	43.2	25%	0.247	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-37.2	175.7	0	0	0	0	0	113.6	I429 S430 Y431 W440	I429-G433 PolarHBondContact O-N 2.93Å; S430-G433 PolarHBondContact O-N 3.22Å; Y431-G433 VanDerWaalsContact C-N 3.33Å; Y431-G433 PolarHBondContact O-N 3.24Å; G433-W440 VanDerWaalsContact CA-NE1 3.31Å
434	Q	85.1	Confident	87.7	Confident	143 Å²	143	39.3 Å²	39.3	67%	0.668	22%	0.223	S	C	*	.	H	α-helix	trans	-73.8	-34.8	178.2	-72.6	171.5	18.8	0	0	113.1	S430 Y431 V432	S430-Q434 WeakPolarHBondContact O-CB 3.1Å; S430-Q434 VanDerWaalsContact O-CG 3.24Å; S430-Q434 WeakPolarHBondContact O-CG 3.33Å; S430-Q434 PolarHBondContact O-N 3.44Å; Y431-Q434 PolarHBondContact O-N 3.32Å; V432-Q434 VanDerWaalsContact C-N 3.31Å; V432-Q434 PolarHBondContact O-N 3.06Å
435	H	80.9	Confident	87.7	Confident	64 Å²	64	39.5 Å²	39.5	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-99.4	-12.5	-172.8	-65	86.5	0	0	0	114.6	Y431 V432 P437	Y431-H435 AromaticContact CD1-ND1 3.91Å; Y431-H435 AromaticContact CD2-CE1 3.53Å; Y431-H435 AromaticContact CD2-ND1 3.59Å; Y431-H435 AromaticContact CE1-ND1 3.84Å; Y431-H435 AromaticContact CE2-CE1 3.27Å; Y431-H435 WeakPolarHBondContact CE2-CE1 3.34Å; Y431-H435 AromaticContact CE2-ND1 3.52Å; Y431-H435 AromaticContact CE2-NE2 3.95Å; Y431-H435 AromaticContact CG-ND1 3.79Å; Y431-H435 AromaticContact CZ-CE1 3.76Å; Y431-H435 AromaticContact CZ-ND1 3.66Å; Y431-H435 PolarHBondContact O-N 2.97Å; Y431-H435 PolarHBondContact O-ND1 2.76Å; V432-H435 PolarHBondContact O-N 2.73Å; H435-P437 WeakPolarHBondContact O-CD 3.43Å
436	S	79.7	Confident	88	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.028	21%	0.208	C	C	.	.	S	Bend	trans	-122.6	76.3	174.4	-67	0	0	0	0	111.1	G302 V432 G438 I439	G302-S436 PolarHBondContact O-OG 3Å; V432-S436 WeakPolarHBondContact O-CB 3.31Å; V432-S436 PolarHBondContact O-N 2.83Å; S436-G438 PolarHBondContact O-N 3.37Å; S436-I439 VanDerWaalsContact O-CB 3.27Å; S436-I439 WeakPolarHBondContact O-CB 3.38Å; S436-I439 WeakPolarHBondContact O-CG2 3.31Å; S436-I439 PolarHBondContact O-N 3.16Å; S436-I439 VanDerWaalsContact O-N 3.16Å
437	P	73.6	Confident	88.2	Confident	66 Å²	66	33 Å²	33	43%	0.429	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129.5	-178.7	-23.3	33.2	0	0	0	112.2	H435 L561	H435-P437 WeakPolarHBondContact O-CD 3.43Å; P437-L561 HydrophobicContact CB-CD2 4.11Å; P437-L561 HydrophobicContact CG-CD2 3.8Å
438	G	78.8	Confident	88.4	Confident	31 Å²	31	30.5 Å²	30.5	32%	0.32	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-9.4	179.8	0	0	0	0	0	114.9	S436 W440 G441 E442	S436-G438 PolarHBondContact O-N 3.37Å; G438-W440 PolarHBondContact O-N 3.06Å; G438-G441 WeakPolarHBondContact O-CA 3.38Å; G438-G441 PolarHBondContact O-N 3.38Å; G438-E442 PolarHBondContact O-N 2.88Å
439	I	87.3	Confident	88.6	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-56	-38.2	-177.1	-164.6	166.1	0	0	0	113.1	F305 V432 S436 G441 E442 L443	F305-I439 HydrophobicContact CD1-CD1 3.39Å; F305-I439 HydrophobicContact CD1-CG1 4.21Å; F305-I439 HydrophobicContact CE1-CD1 3.94Å; F305-I439 HydrophobicContact CE1-CG1 4.31Å; F305-I439 HydrophobicContact CG-CD1 4.33Å; V432-I439 HydrophobicContact CG1-CD1 3.78Å; V432-I439 HydrophobicContact CG1-CG2 4.41Å; S436-I439 VanDerWaalsContact O-CB 3.27Å; S436-I439 WeakPolarHBondContact O-CB 3.38Å; S436-I439 WeakPolarHBondContact O-CG2 3.31Å; S436-I439 PolarHBondContact O-N 3.16Å; S436-I439 VanDerWaalsContact O-N 3.16Å; I439-G441 VanDerWaalsContact C-N 3.33Å; I439-G441 PolarHBondContact O-N 2.79Å; I439-E442 PolarHBondContact O-N 3.39Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 PolarHBondContact O-N 3.22Å
440	W	91.5	Very high	88.8	Confident	22 Å²	22	31.4 Å²	31.4	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-30	178.1	-53	130.4	0	0	0	112.6	F305 L422 I429 V432 G433 G438 L443 A444 F528 L532 V537 F540	F305-W440 HydrophobicContact CE1-CZ3 4.16Å; L422-W440 HydrophobicContact CD1-CH2 4.47Å; I429-W440 HydrophobicContact CG2-CH2 4.07Å; I429-W440 HydrophobicContact CG2-CZ2 3.82Å; I429-W440 WeakPolarHBondContact O-CZ2 3.34Å; V432-W440 HydrophobicContact CG1-CH2 4.41Å; V432-W440 HydrophobicContact CG1-CZ2 4.41Å; G433-W440 VanDerWaalsContact CA-NE1 3.31Å; G438-W440 PolarHBondContact O-N 3.06Å; W440-L443 HydrophobicContact CE3-CD2 3.78Å; W440-L443 HydrophobicContact CZ3-CD2 3.89Å; W440-L443 PolarHBondContact O-N 2.84Å; W440-A444 WeakPolarHBondContact O-CB 3.35Å; W440-A444 PolarHBondContact O-N 2.75Å; W440-F528 HydrophobicContact CZ3-CE1 4.2Å; W440-F528 HydrophobicContact CZ3-CZ 4.36Å; W440-L532 HydrophobicContact CD2-CD1 4.23Å; W440-L532 HydrophobicContact CE3-CD1 3.48Å; W440-L532 VanDerWaalsContact CE3-CD1 3.48Å; W440-L532 HydrophobicContact CE3-CD2 4.34Å; W440-L532 HydrophobicContact CH2-CD1 4.49Å; W440-L532 HydrophobicContact CH2-CD2 4Å; W440-L532 HydrophobicContact CZ2-CD2 4.43Å; W440-L532 HydrophobicContact CZ3-CD1 3.64Å; W440-L532 HydrophobicContact CZ3-CD2 3.96Å; W440-L532 HydrophobicContact CZ3-CG 4.48Å; W440-V537 HydrophobicContact CD2-CG1 4.27Å; W440-V537 HydrophobicContact CG-CG1 3.88Å; W440-V537 VanDerWaalsContact NE1-CG1 3.33Å; W440-F540 HydrophobicContact CB-CD2 3.71Å; W440-F540 HydrophobicContact CB-CE2 4.22Å; W440-F540 VanDerWaalsContact O-CE2 3.26Å; W440-F540 WeakPolarHBondContact O-CE2 3.46Å
441	G	88.8	Confident	89	Confident	5 Å²	5	28.5 Å²	28.5	5%	0.052	16%	0.162	C	C	.	.	H	α-helix	trans	-73.4	-34.5	172.5	0	0	0	0	0	113.3	G438 I439 T445	G438-G441 WeakPolarHBondContact O-CA 3.38Å; G438-G441 PolarHBondContact O-N 3.38Å; I439-G441 VanDerWaalsContact C-N 3.33Å; I439-G441 PolarHBondContact O-N 2.79Å; G441-T445 PolarHBondContact O-N 2.99Å; G441-T445 PolarHBondContact O-OG1 3.44Å
442	E	88.4	Confident	89.3	Confident	11 Å²	11	27.9 Å²	27.9	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-45.2	169.3	-61	171.2	-178	0	0	110	S306 V309 I313 G438 I439 A444 T445 M446 F553 N562	S306-E442 PolarHBondContact OG-OE2 3.18Å; V309-E442 HydrophobicContact CG1-CB 3.67Å; I313-E442 HydrophobicContact CD1-CB 4.48Å; I313-E442 WeakPolarHBondContact CD1-O 3.43Å; G438-E442 PolarHBondContact O-N 2.88Å; I439-E442 PolarHBondContact O-N 3.39Å; E442-A444 PolarHBondContact O-N 3.2Å; E442-T445 WeakPolarHBondContact O-CB 3.27Å; E442-T445 PolarHBondContact O-N 3.07Å; E442-M446 PolarHBondContact O-N 2.99Å; E442-F553 HydrophobicContact CG-CD2 4.49Å; E442-F553 HydrophobicContact CG-CE2 3.62Å; E442-F553 HydrophobicContact CG-CZ 4.22Å; E442-N562 PolarHBondContact OE1-ND2 3.2Å
443	L	93.4	Very high	89.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-44	178.2	-175	67.1	0	0	0	111.7	F305 V309 I439 W440 T445 M446 L447 F528 L532	F305-L443 HydrophobicContact CZ-CD1 4.4Å; V309-L443 HydrophobicContact CG1-CB 4.48Å; V309-L443 HydrophobicContact CG2-CD1 4.14Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 PolarHBondContact O-N 3.22Å; W440-L443 HydrophobicContact CE3-CD2 3.78Å; W440-L443 HydrophobicContact CZ3-CD2 3.89Å; W440-L443 PolarHBondContact O-N 2.84Å; L443-T445 VanDerWaalsContact C-N 3.3Å; L443-T445 PolarHBondContact O-N 3.03Å; L443-M446 HydrophobicContact CD1-CE 3.62Å; L443-M446 WeakPolarHBondContact O-CB 3.43Å; L443-M446 PolarHBondContact O-N 2.58Å; L443-M446 VanDerWaalsContact O-N 3.14Å; L443-L447 HydrophobicContact CD1-CG 4.35Å; L443-L447 HydrophobicContact CG-CD1 4.04Å; L443-L447 HydrophobicContact CG-CG 4.24Å; L443-L447 WeakPolarHBondContact O-CB 3.29Å; L443-L447 VanDerWaalsContact O-CG 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 2.92Å; L443-F528 HydrophobicContact CD2-CD1 3.99Å; L443-F528 HydrophobicContact CD2-CE1 3.73Å; L443-L532 HydrophobicContact CD2-CD1 3.57Å
444	A	94.9	Very high	90.2	Very high	3 Å²	3	32 Å²	32	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-45.2	173.8	0	0	0	0	0	111.3	W440 E442 M446 L447 N448 F540 F549 A551	W440-A444 WeakPolarHBondContact O-CB 3.35Å; W440-A444 PolarHBondContact O-N 2.75Å; E442-A444 PolarHBondContact O-N 3.2Å; A444-M446 VanDerWaalsContact C-N 3.3Å; A444-M446 PolarHBondContact O-N 3.4Å; A444-L447 PolarHBondContact O-N 2.82Å; A444-N448 WeakPolarHBondContact O-CB 3.48Å; A444-N448 PolarHBondContact O-N 3.39Å; A444-N448 PolarHBondContact O-ND2 3.4Å; A444-N448 PolarHBondContact O-OD1 3Å; A444-F540 HydrophobicContact CB-CE2 3.78Å; A444-F540 HydrophobicContact CB-CZ 4.37Å; A444-F549 HydrophobicContact CB-CB 3.77Å; A444-A551 HydrophobicContact CB-CB 4.01Å
445	T	92.2	Very high	90.7	Very high	68 Å²	68	27.3 Å²	27.3	42%	0.417	16%	0.157	S	C	.	.	H	α-helix	trans	-59.1	-43.2	176.3	-56.2	0	0	0	0	111.2	I313 G441 E442 L443	I313-T445 HydrophobicContact CD1-CG2 4.3Å; G441-T445 PolarHBondContact O-N 2.99Å; G441-T445 PolarHBondContact O-OG1 3.44Å; E442-T445 WeakPolarHBondContact O-CB 3.27Å; E442-T445 PolarHBondContact O-N 3.07Å; L443-T445 VanDerWaalsContact C-N 3.3Å; L443-T445 PolarHBondContact O-N 3.03Å
446	M	93.4	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-48.9	177.7	-168.7	-76.8	-56.2	0	0	112	V309 I313 I316 W411 L415 E442 L443 A444 N448 L449 L450	V309-M446 HydrophobicContact CG1-CB 4.17Å; I313-M446 HydrophobicContact CD1-CB 4.16Å; I313-M446 HydrophobicContact CG1-CB 3.61Å; I313-M446 HydrophobicContact CG1-CG 3.94Å; I316-M446 HydrophobicContact CD1-CG 4.38Å; I316-M446 HydrophobicContact CD1-SD 4.25Å; W411-M446 HydrophobicContact CH2-SD 4.22Å; W411-M446 HydrophobicContact CZ3-SD 4.19Å; L415-M446 HydrophobicContact CD2-CE 3.25Å; L415-M446 HydrophobicContact CD2-CG 4.31Å; L415-M446 HydrophobicContact CD2-SD 3.73Å; L415-M446 HydrophobicContact CG-CE 4.44Å; E442-M446 PolarHBondContact O-N 2.99Å; L443-M446 HydrophobicContact CD1-CE 3.62Å; L443-M446 WeakPolarHBondContact O-CB 3.43Å; L443-M446 PolarHBondContact O-N 2.58Å; L443-M446 VanDerWaalsContact O-N 3.14Å; A444-M446 VanDerWaalsContact C-N 3.3Å; A444-M446 PolarHBondContact O-N 3.4Å; M446-N448 VanDerWaalsContact C-N 3.26Å; M446-N448 PolarHBondContact O-N 3.27Å; M446-L449 WeakPolarHBondContact O-CB 3.35Å; M446-L449 PolarHBondContact O-N 2.9Å; M446-L450 HydrophobicContact SD-CD1 4.19Å; M446-L450 HydrophobicContact SD-CG 4.37Å
447	L	96.3	Very high	92.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-36.6	179.7	-69.5	174.9	0	0	0	112	L443 A444 L449 L450 L525 Q526 F549	L443-L447 HydrophobicContact CD1-CG 4.35Å; L443-L447 HydrophobicContact CG-CD1 4.04Å; L443-L447 HydrophobicContact CG-CG 4.24Å; L443-L447 WeakPolarHBondContact O-CB 3.29Å; L443-L447 VanDerWaalsContact O-CG 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.44Å; L443-L447 PolarHBondContact O-N 2.92Å; A444-L447 PolarHBondContact O-N 2.82Å; L447-L449 PolarHBondContact O-N 3.45Å; L447-L450 HydrophobicContact CD2-CD1 4.14Å; L447-L450 WeakPolarHBondContact O-CB 3.46Å; L447-L450 PolarHBondContact O-N 3.23Å; L447-L525 HydrophobicContact CD2-CB 3.89Å; L447-L525 WeakPolarHBondContact CD2-O 3.39Å; L447-Q526 PolarHBondContact O-NE2 3.22Å; L447-F549 HydrophobicContact CB-CD2 3.74Å; L447-F549 HydrophobicContact CB-CE2 4.09Å; L447-F549 HydrophobicContact CD1-CD2 3.97Å; L447-F549 HydrophobicContact CD1-CE2 4.07Å; L447-F549 HydrophobicContact CD1-CG 4.28Å; L447-F549 HydrophobicContact CD1-CZ 4.42Å
448	N	95.7	Very high	93.3	Very high	68 Å²	68	27 Å²	27	36%	0.364	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.4	177.2	-66.5	-16.6	0	0	0	113.8	A444 M446 S548 F549	A444-N448 WeakPolarHBondContact O-CB 3.48Å; A444-N448 PolarHBondContact O-N 3.39Å; A444-N448 PolarHBondContact O-ND2 3.4Å; A444-N448 PolarHBondContact O-OD1 3Å; M446-N448 VanDerWaalsContact C-N 3.26Å; M446-N448 PolarHBondContact O-N 3.27Å; N448-S548 WeakPolarHBondContact OD1-CA 3.34Å; N448-F549 PolarHBondContact ND2-O 2.84Å; N448-F549 PolarHBondContact OD1-N 3.35Å
449	L	93.6	Very high	94	Very high	39 Å²	39	25.5 Å²	25.5	20%	0.204	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.8	169.7	-61.7	172.6	0	0	0	112.5	I313 I316 M446 L447	I313-L449 HydrophobicContact CG2-CD1 4.2Å; I316-L449 HydrophobicContact CB-CD1 4.15Å; I316-L449 HydrophobicContact CD1-CB 4.16Å; I316-L449 HydrophobicContact CD1-CD1 4.17Å; I316-L449 HydrophobicContact CG2-CB 3.93Å; I316-L449 HydrophobicContact CG2-CD1 4.13Å; M446-L449 WeakPolarHBondContact O-CB 3.35Å; M446-L449 PolarHBondContact O-N 2.9Å; L447-L449 PolarHBondContact O-N 3.45Å
450	L	95.5	Very high	94.4	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-84.1	157.2	179.3	-54.5	-178.9	0	0	0	110.7	I316 L406 W411 M446 L447 T452 I522 L525	I316-L450 HydrophobicContact CD1-CD2 4.09Å; L406-L450 HydrophobicContact CD1-CD2 4.11Å; L406-L450 HydrophobicContact CD2-CD2 4.42Å; W411-L450 HydrophobicContact CH2-CD2 4.24Å; M446-L450 HydrophobicContact SD-CD1 4.19Å; M446-L450 HydrophobicContact SD-CG 4.37Å; L447-L450 HydrophobicContact CD2-CD1 4.14Å; L447-L450 WeakPolarHBondContact O-CB 3.46Å; L447-L450 PolarHBondContact O-N 3.23Å; L450-T452 PolarHBondContact O-N 2.89Å; L450-I522 HydrophobicContact CB-CG2 4.14Å; L450-I522 HydrophobicContact CD1-CG2 4.46Å; L450-L525 HydrophobicContact CD1-CB 3.95Å; L450-L525 HydrophobicContact CD1-CD1 3.88Å
451	P	96.1	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-51.9	134.1	172.1	-28.7	36.1	0	0	0	113	K402 L406 E455 L456 I459 I522 Q526	K402-P451 HydrophobicContact CB-CG 4.31Å; K402-P451 HydrophobicContact CD-CG 4.48Å; L406-P451 HydrophobicContact CD1-CG 4.44Å; P451-E455 VanDerWaalsContact CA-OE2 3.26Å; P451-E455 WeakPolarHBondContact CA-OE2 3.42Å; P451-E455 HydrophobicContact CB-CB 3.99Å; P451-L456 HydrophobicContact CB-CD2 3.82Å; P451-L456 HydrophobicContact CB-CG 3.87Å; P451-I459 HydrophobicContact CB-CD1 4.45Å; P451-I522 HydrophobicContact CG-CD1 4.36Å; P451-Q526 PolarHBondContact O-NE2 3.37Å
452	T	96.5	Very high	94.5	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.178	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-74.2	171.7	174.7	71.4	0	0	0	0	112	L450 D454 E455 L456 Q547	L450-T452 PolarHBondContact O-N 2.89Å; T452-D454 VanDerWaalsContact C-N 3.26Å; T452-D454 PolarHBondContact O-N 3.34Å; T452-D454 PolarHBondContact OG1-N 3.3Å; T452-E455 PolarHBondContact N-OE2 3.16Å; T452-E455 PolarHBondContact O-N 3.08Å; T452-E455 VanDerWaalsContact O-N 3.17Å; T452-E455 PolarHBondContact OG1-N 3.43Å; T452-L456 WeakPolarHBondContact O-CB 3.37Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.5Å; T452-L456 PolarHBondContact O-N 2.97Å; T452-Q547 HydrophobicContact CG2-CB 3.92Å; T452-Q547 PolarHBondContact OG1-OE1 3.25Å
453	D	96.4	Very high	94.4	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.059	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-43.4	173.7	-79.3	31	0	0	0	112.1	L456 K457 F476 P477 L478	D453-L456 PolarHBondContact O-N 3.28Å; D453-K457 WeakPolarHBondContact O-CB 3.26Å; D453-K457 PolarHBondContact O-N 3.09Å; D453-F476 HydrophobicContact CB-CD1 3.88Å; D453-F476 HydrophobicContact CB-CE1 4.26Å; D453-F476 WeakPolarHBondContact O-CE1 3.11Å; D453-P477 VanDerWaalsContact OD2-CA 3.23Å; D453-P477 WeakPolarHBondContact OD2-CA 3.09Å; D453-L478 WeakPolarHBondContact OD1-CD1 3.27Å; D453-L478 WeakPolarHBondContact OD1-CG 3.45Å; D453-L478 PolarHBondContact OD2-N 2.93Å
454	D	96.3	Very high	94	Very high	103 Å²	103	46.6 Å²	46.6	55%	0.551	23%	0.233	S	C	*	.	H	α-helix	trans	-70.3	-39.1	179.2	-68.3	-0.8	0	0	0	111.6	T452 K457 A458 Q547	T452-D454 VanDerWaalsContact C-N 3.26Å; T452-D454 PolarHBondContact O-N 3.34Å; T452-D454 PolarHBondContact OG1-N 3.3Å; D454-K457 PolarHBondContact O-N 3.21Å; D454-A458 WeakPolarHBondContact O-CB 3.37Å; D454-A458 PolarHBondContact O-N 2.94Å; D454-Q547 VanDerWaalsContact CB-OE1 3.3Å; D454-Q547 VanDerWaalsContact CG-CD 3.5Å; D454-Q547 VanDerWaalsContact CG-OE1 3.26Å; D454-Q547 PolarHBondContact OD1-NE2 3.5Å; D454-Q547 PolarHBondContact OD2-NE2 3.49Å; D454-Q547 PolarHBondContact OD2-OE1 3.29Å
455	E	96.4	Very high	93.4	Very high	43 Å²	43	53.9 Å²	53.9	20%	0.201	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-41.3	175.7	-70.4	-172.6	126.2	0	0	111.5	P399 K402 P451 T452 A458 I459	P399-E455 HydrophobicContact CB-CB 4.01Å; P399-E455 HydrophobicContact CB-CG 4.46Å; P399-E455 HydrophobicContact CG-CB 3.98Å; P399-E455 HydrophobicContact CG-CG 3.91Å; K402-E455 VanDerWaalsContact NZ-CD 3.31Å; K402-E455 IonicContact NZ-OE1 3.68Å; K402-E455 PolarHBondContact NZ-OE1 3.05Å; K402-E455 IonicContact NZ-OE2 2.81Å; K402-E455 PolarHBondContact NZ-OE2 3.24Å; P451-E455 VanDerWaalsContact CA-OE2 3.26Å; P451-E455 WeakPolarHBondContact CA-OE2 3.42Å; P451-E455 HydrophobicContact CB-CB 3.99Å; T452-E455 PolarHBondContact N-OE2 3.16Å; T452-E455 PolarHBondContact O-N 3.08Å; T452-E455 VanDerWaalsContact O-N 3.17Å; T452-E455 PolarHBondContact OG1-N 3.43Å; E455-A458 PolarHBondContact O-N 3.48Å; E455-I459 VanDerWaalsContact O-CG1 3.26Å; E455-I459 WeakPolarHBondContact O-CG1 3.39Å; E455-I459 PolarHBondContact O-N 3.34Å
456	L	96.8	Very high	93.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176.3	-71.5	169.2	0	0	0	111.7	P451 T452 D453 I459 I460 F476 L478 F519 I522	P451-L456 HydrophobicContact CB-CD2 3.82Å; P451-L456 HydrophobicContact CB-CG 3.87Å; T452-L456 WeakPolarHBondContact O-CB 3.37Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.5Å; T452-L456 PolarHBondContact O-N 2.97Å; D453-L456 PolarHBondContact O-N 3.28Å; L456-I459 HydrophobicContact CD2-CD1 4.39Å; L456-I459 WeakPolarHBondContact O-CB 3.45Å; L456-I459 PolarHBondContact O-N 3.2Å; L456-I460 PolarHBondContact O-N 2.86Å; L456-I460 VanDerWaalsContact O-N 3.14Å; L456-F476 HydrophobicContact CB-CE1 3.84Å; L456-F476 HydrophobicContact CB-CZ 3.71Å; L456-F476 HydrophobicContact CD1-CE1 4.43Å; L456-L478 HydrophobicContact CD1-CD1 3.62Å; L456-F519 HydrophobicContact CB-CE2 4.15Å; L456-F519 HydrophobicContact CB-CZ 3.88Å; L456-F519 HydrophobicContact CD2-CD2 3.94Å; L456-F519 HydrophobicContact CD2-CE1 4.42Å; L456-F519 HydrophobicContact CD2-CE2 3.51Å; L456-F519 HydrophobicContact CD2-CZ 3.78Å; L456-F519 HydrophobicContact CG-CE2 4.45Å; L456-F519 HydrophobicContact CG-CZ 4.39Å; L456-I522 HydrophobicContact CD1-CG2 4.16Å; L456-I522 HydrophobicContact CD2-CG2 4.02Å
457	K	95.3	Very high	92.7	Very high	104 Å²	104	51.2 Å²	51.2	45%	0.452	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-44.1	173.3	-173.8	-179.2	176.8	-172	0	111.4	D453 D454 I459 I460 E461 F476	D453-K457 WeakPolarHBondContact O-CB 3.26Å; D453-K457 PolarHBondContact O-N 3.09Å; D454-K457 PolarHBondContact O-N 3.21Å; K457-I459 VanDerWaalsContact C-N 3.29Å; K457-I459 PolarHBondContact O-N 3.09Å; K457-I460 PolarHBondContact O-N 3.42Å; K457-E461 VanDerWaalsContact CE-OE1 3.24Å; K457-E461 WeakPolarHBondContact CE-OE1 3.17Å; K457-E461 WeakPolarHBondContact O-CG 3.33Å; K457-E461 PolarHBondContact O-N 3.04Å; K457-F476 HydrophobicContact CB-CD2 4.25Å; K457-F476 HydrophobicContact CB-CE2 3.96Å; K457-F476 HydrophobicContact CB-CZ 4.23Å; K457-F476 HydrophobicContact CG-CD2 4.46Å; K457-F476 HydrophobicContact CG-CE2 4.4Å
458	A	95	Very high	92.1	Very high	23 Å²	23	53.5 Å²	53.5	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-35	176.4	0	0	0	0	0	112.5	D454 E455 E461 Q462	D454-A458 WeakPolarHBondContact O-CB 3.37Å; D454-A458 PolarHBondContact O-N 2.94Å; E455-A458 PolarHBondContact O-N 3.48Å; A458-E461 PolarHBondContact O-N 3.03Å; A458-Q462 WeakPolarHBondContact O-CB 3.12Å; A458-Q462 WeakPolarHBondContact O-CG 3.31Å; A458-Q462 PolarHBondContact O-N 2.94Å
459	I	95.2	Very high	91.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-48.1	173.6	-69.6	162.5	0	0	0	110.7	P399 V400 L403 P451 E455 L456 K457 E461 Q462 D463 L466 F519	P399-I459 HydrophobicContact CB-CD1 3.82Å; P399-I459 HydrophobicContact CB-CG1 3.54Å; P399-I459 WeakPolarHBondContact O-CD1 3.22Å; V400-I459 HydrophobicContact CG2-CG1 4.13Å; L403-I459 HydrophobicContact CB-CD1 4.16Å; L403-I459 HydrophobicContact CD2-CD1 4.46Å; L403-I459 HydrophobicContact CD2-CG2 3.86Å; P451-I459 HydrophobicContact CB-CD1 4.45Å; E455-I459 VanDerWaalsContact O-CG1 3.26Å; E455-I459 WeakPolarHBondContact O-CG1 3.39Å; E455-I459 PolarHBondContact O-N 3.34Å; L456-I459 HydrophobicContact CD2-CD1 4.39Å; L456-I459 WeakPolarHBondContact O-CB 3.45Å; L456-I459 PolarHBondContact O-N 3.2Å; K457-I459 VanDerWaalsContact C-N 3.29Å; K457-I459 PolarHBondContact O-N 3.09Å; I459-E461 VanDerWaalsContact C-N 3.29Å; I459-E461 PolarHBondContact O-N 3.06Å; I459-Q462 PolarHBondContact O-N 3.25Å; I459-D463 VanDerWaalsContact O-CB 3.26Å; I459-D463 WeakPolarHBondContact O-CB 3.02Å; I459-D463 PolarHBondContact O-N 3.42Å; I459-L466 HydrophobicContact CG2-CD1 4.47Å; I459-L466 HydrophobicContact CG2-CD2 4.22Å; I459-F519 HydrophobicContact CB-CE2 4.13Å; I459-F519 HydrophobicContact CG2-CD2 4.16Å; I459-F519 HydrophobicContact CG2-CE2 3.93Å
460	I	94.4	Very high	91.1	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-42.8	177.3	-70.6	169.5	0	0	0	110.7	L456 K457 Q462 L466 A467 M470 E471 I474 F476 F519	L456-I460 PolarHBondContact O-N 2.86Å; L456-I460 VanDerWaalsContact O-N 3.14Å; K457-I460 PolarHBondContact O-N 3.42Å; I460-Q462 VanDerWaalsContact C-N 3.35Å; I460-Q462 PolarHBondContact O-N 2.89Å; I460-L466 HydrophobicContact CG1-CD2 3.73Å; I460-A467 HydrophobicContact CG2-CB 4.26Å; I460-A467 WeakPolarHBondContact O-CB 3.37Å; I460-M470 HydrophobicContact CD1-CB 4.12Å; I460-M470 HydrophobicContact CG1-CB 4.15Å; I460-E471 HydrophobicContact CG2-CG 3.58Å; I460-I474 HydrophobicContact CD1-CB 4.49Å; I460-F476 HydrophobicContact CD1-CE2 4Å; I460-F476 HydrophobicContact CD1-CZ 4.33Å; I460-F519 HydrophobicContact CD1-CE1 4.02Å; I460-F519 HydrophobicContact CD1-CE2 4.47Å; I460-F519 HydrophobicContact CD1-CZ 3.57Å; I460-F519 HydrophobicContact CG1-CE1 4.39Å; I460-F519 HydrophobicContact CG1-CE2 4.09Å; I460-F519 HydrophobicContact CG1-CZ 3.67Å
461	E	91.6	Very high	90.8	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-68.5	-30.8	-179.9	-69.9	173.8	-177.9	0	0	113.5	K457 A458 I459	K457-E461 VanDerWaalsContact CE-OE1 3.24Å; K457-E461 WeakPolarHBondContact CE-OE1 3.17Å; K457-E461 WeakPolarHBondContact O-CG 3.33Å; K457-E461 PolarHBondContact O-N 3.04Å; A458-E461 PolarHBondContact O-N 3.03Å; I459-E461 VanDerWaalsContact C-N 3.29Å; I459-E461 PolarHBondContact O-N 3.06Å
462	Q	90.5	Very high	90.3	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-88.6	-32.9	-177.3	-71.2	170.3	32.5	0	0	113	V400 A458 I459 I460	V400-Q462 HydrophobicContact CG2-CB 4.37Å; A458-Q462 WeakPolarHBondContact O-CB 3.12Å; A458-Q462 WeakPolarHBondContact O-CG 3.31Å; A458-Q462 PolarHBondContact O-N 2.94Å; I459-Q462 PolarHBondContact O-N 3.25Å; I460-Q462 VanDerWaalsContact C-N 3.35Å; I460-Q462 PolarHBondContact O-N 2.89Å
463	D	87.9	Confident	90	Very high	27 Å²	27	63.1 Å²	63.1	14%	0.144	32%	0.324	C	S	.	.			trans	-104.3	92.5	-172.4	-167	-41.2	0	0	0	111.1	I459 E465 L466 A467 K515	I459-D463 VanDerWaalsContact O-CB 3.26Å; I459-D463 WeakPolarHBondContact O-CB 3.02Å; I459-D463 PolarHBondContact O-N 3.42Å; D463-E465 PolarHBondContact O-N 3.11Å; D463-E465 PolarHBondContact OD1-N 3.45Å; D463-L466 HydrophobicContact CB-CB 4.03Å; D463-L466 PolarHBondContact O-N 3.12Å; D463-L466 PolarHBondContact OD1-N 3.25Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 3Å; D463-K515 VanDerWaalsContact CG-NZ 3.25Å; D463-K515 IonicContact OD1-NZ 3.4Å; D463-K515 PolarHBondContact OD1-NZ 3.01Å; D463-K515 IonicContact OD2-NZ 2.82Å; D463-K515 PolarHBondContact OD2-NZ 3.49Å
464	K	84.6	Confident	89.9	Confident	191 Å²	191	63 Å²	63	83%	0.83	32%	0.323	S	S	*	.	H	α-helix	trans	-62.6	-26.8	-176.7	-65.1	-175.1	-179.2	179.8	0	114
465	E	82.6	Confident	89.8	Confident	155 Å²	155	62 Å²	62	72%	0.724	32%	0.32	S	S	*	.	H	α-helix	trans	-73.7	-43.6	178.4	-66.7	-174.5	175.8	0	0	110.1	D463	D463-E465 PolarHBondContact O-N 3.11Å; D463-E465 PolarHBondContact OD1-N 3.45Å
466	L	85.8	Confident	89.7	Confident	2 Å²	2	63 Å²	63	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-71.7	-33.3	176.6	-176.8	141.6	0	0	0	112.9	L403 I459 I460 D463 G468 M470 K515 F519	L403-L466 HydrophobicContact CD2-CD1 3.87Å; I459-L466 HydrophobicContact CG2-CD1 4.47Å; I459-L466 HydrophobicContact CG2-CD2 4.22Å; I460-L466 HydrophobicContact CG1-CD2 3.73Å; D463-L466 HydrophobicContact CB-CB 4.03Å; D463-L466 PolarHBondContact O-N 3.12Å; D463-L466 PolarHBondContact OD1-N 3.25Å; L466-G468 PolarHBondContact O-N 3.4Å; L466-M470 HydrophobicContact CD2-CB 3.99Å; L466-M470 HydrophobicContact CD2-CG 3.67Å; L466-M470 HydrophobicContact CG-CG 3.79Å; L466-M470 WeakPolarHBondContact O-CB 3.31Å; L466-M470 VanDerWaalsContact O-CG 3.24Å; L466-M470 WeakPolarHBondContact O-CG 3.32Å; L466-M470 PolarHBondContact O-N 3.36Å; L466-K515 HydrophobicContact CD1-CG 4.19Å; L466-F519 HydrophobicContact CD1-CB 4.16Å; L466-F519 HydrophobicContact CD1-CD2 4.01Å; L466-F519 HydrophobicContact CD1-CG 4.25Å; L466-F519 HydrophobicContact CD2-CD2 4.07Å; L466-F519 HydrophobicContact CD2-CE2 4.13Å; L466-F519 HydrophobicContact CD2-CG 4.47Å
467	A	85.2	Confident	89.6	Confident	10 Å²	10	66.2 Å²	66.2	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-37.1	-176.1	0	0	0	0	0	113.5	I460 D463 E469 M470 E471	I460-A467 HydrophobicContact CG2-CB 4.26Å; I460-A467 WeakPolarHBondContact O-CB 3.37Å; D463-A467 WeakPolarHBondContact O-CB 3.2Å; D463-A467 PolarHBondContact O-N 3Å; A467-E469 PolarHBondContact O-N 3.19Å; A467-M470 PolarHBondContact O-N 2.94Å; A467-E471 HydrophobicContact CB-CG 4.35Å; A467-E471 VanDerWaalsContact O-CB 3.28Å; A467-E471 WeakPolarHBondContact O-CB 3.23Å; A467-E471 VanDerWaalsContact O-CG 3.25Å; A467-E471 WeakPolarHBondContact O-CG 3.43Å; A467-E471 PolarHBondContact O-N 3.08Å
468	G	82.5	Confident	89.7	Confident	50 Å²	50	61.2 Å²	61.2	52%	0.515	32%	0.324	S	S	.	.	H	α-helix	trans	-49.9	-65.8	-171.2	0	0	0	0	0	114.3	L466	L466-G468 PolarHBondContact O-N 3.4Å
469	E	78.8	Confident	89.8	Confident	80 Å²	80	63.1 Å²	63.1	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-78.6	-31.2	179.7	-67.9	-68.6	166.6	0	0	112	A467 V472 A473	A467-E469 PolarHBondContact O-N 3.19Å; E469-V472 PolarHBondContact O-N 3.19Å; E469-A473 WeakPolarHBondContact O-CB 3.47Å; E469-A473 PolarHBondContact O-N 3.49Å
470	M	90.3	Very high	89.8	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-74.2	-32.1	-173.9	-63.5	-55.3	104	0	0	113.3	I460 L466 A467 V472 A473 I474 L485 L512 D516 F519 I520	I460-M470 HydrophobicContact CD1-CB 4.12Å; I460-M470 HydrophobicContact CG1-CB 4.15Å; L466-M470 HydrophobicContact CD2-CB 3.99Å; L466-M470 HydrophobicContact CD2-CG 3.67Å; L466-M470 HydrophobicContact CG-CG 3.79Å; L466-M470 WeakPolarHBondContact O-CB 3.31Å; L466-M470 VanDerWaalsContact O-CG 3.24Å; L466-M470 WeakPolarHBondContact O-CG 3.32Å; L466-M470 PolarHBondContact O-N 3.36Å; A467-M470 PolarHBondContact O-N 2.94Å; M470-V472 PolarHBondContact O-N 2.98Å; M470-A473 PolarHBondContact O-N 3.46Å; M470-I474 HydrophobicContact CB-CG1 4.31Å; M470-I474 VanDerWaalsContact O-CB 3.3Å; M470-I474 WeakPolarHBondContact O-CB 3.45Å; M470-I474 WeakPolarHBondContact O-CG1 3.34Å; M470-I474 PolarHBondContact O-N 3.47Å; M470-I474 HydrophobicContact SD-CG1 4.18Å; M470-L485 HydrophobicContact CE-CD1 3.82Å; M470-L512 HydrophobicContact CE-CD2 3.83Å; M470-D516 HydrophobicContact CE-CB 4.36Å; M470-F519 HydrophobicContact CG-CD1 4.28Å; M470-F519 HydrophobicContact SD-CD1 3.99Å; M470-I520 HydrophobicContact CE-CD1 4.05Å; M470-I520 HydrophobicContact CE-CG1 4.31Å; M470-I520 HydrophobicContact SD-CD1 4.25Å; M470-I520 HydrophobicContact SD-CG1 3.84Å
471	E	88.5	Confident	89.8	Confident	131 Å²	131	68 Å²	68	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-62.1	-29.7	174.5	-78.6	-177.8	174.5	0	0	112.3	I460 A467	I460-E471 HydrophobicContact CG2-CG 3.58Å; A467-E471 HydrophobicContact CB-CG 4.35Å; A467-E471 VanDerWaalsContact O-CB 3.28Å; A467-E471 WeakPolarHBondContact O-CB 3.23Å; A467-E471 VanDerWaalsContact O-CG 3.25Å; A467-E471 WeakPolarHBondContact O-CG 3.43Å; A467-E471 PolarHBondContact O-N 3.08Å
472	V	85.6	Confident	89.9	Confident	122 Å²	122	66 Å²	66	74%	0.739	36%	0.364	S	S	*	.	H	α-helix	trans	-85.5	-40	177.5	-177.4	0	0	0	0	111	E469 M470	E469-V472 PolarHBondContact O-N 3.19Å; M470-V472 PolarHBondContact O-N 2.98Å
473	A	89.8	Confident	90.1	Very high	8 Å²	8	61.5 Å²	61.5	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-82.3	-26.1	-173.3	0	0	0	0	0	114.5	E469 M470 W481 T484 L485	E469-A473 WeakPolarHBondContact O-CB 3.47Å; E469-A473 PolarHBondContact O-N 3.49Å; M470-A473 PolarHBondContact O-N 3.46Å; A473-W481 PolarHBondContact O-NE1 3.3Å; A473-T484 PolarHBondContact O-OG1 3.35Å; A473-L485 HydrophobicContact CB-CD1 3.37Å; A473-L485 HydrophobicContact CB-CG 3.65Å
474	I	94.1	Very high	90.3	Very high	10 Å²	10	63 Å²	63	5%	0.051	35%	0.353	C	S	.	.			trans	-115.2	128.3	-170	-49.5	-63.7	0	0	0	110.8	I460 M470 F476 L478 W481 F519 C523	I460-I474 HydrophobicContact CD1-CB 4.49Å; M470-I474 HydrophobicContact CB-CG1 4.31Å; M470-I474 VanDerWaalsContact O-CB 3.3Å; M470-I474 WeakPolarHBondContact O-CB 3.45Å; M470-I474 WeakPolarHBondContact O-CG1 3.34Å; M470-I474 PolarHBondContact O-N 3.47Å; M470-I474 HydrophobicContact SD-CG1 4.18Å; I474-F476 HydrophobicContact CG2-CE1 4.42Å; I474-F476 HydrophobicContact CG2-CE2 3.98Å; I474-F476 HydrophobicContact CG2-CZ 3.87Å; I474-L478 HydrophobicContact CG2-CD2 4.03Å; I474-W481 HydrophobicContact CD1-CH2 4.17Å; I474-W481 HydrophobicContact CD1-CZ2 3.31Å; I474-F519 HydrophobicContact CG1-CD1 4.48Å; I474-F519 HydrophobicContact CG1-CE1 3.99Å; I474-F519 HydrophobicContact CG2-CE1 4.42Å; I474-C523 HydrophobicContact CD1-CB 4.47Å
475	T	94.3	Very high	90.6	Very high	80 Å²	80	54.4 Å²	54.4	49%	0.491	32%	0.316	S	S	.	.			trans	-124	135.5	175.6	55.2	0	0	0	0	110	W481	T475-W481 WeakPolarHBondContact O-CB 3.4Å
476	F	94.9	Very high	91.1	Very high	66 Å²	66	47 Å²	47	29%	0.289	28%	0.281	S	S	.	.	S	Bend	trans	-103.1	146.8	177.9	-64.3	-81	0	0	0	111	D453 L456 K457 I460 I474 L478	D453-F476 HydrophobicContact CB-CD1 3.88Å; D453-F476 HydrophobicContact CB-CE1 4.26Å; D453-F476 WeakPolarHBondContact O-CE1 3.11Å; L456-F476 HydrophobicContact CB-CE1 3.84Å; L456-F476 HydrophobicContact CB-CZ 3.71Å; L456-F476 HydrophobicContact CD1-CE1 4.43Å; K457-F476 HydrophobicContact CB-CD2 4.25Å; K457-F476 HydrophobicContact CB-CE2 3.96Å; K457-F476 HydrophobicContact CB-CZ 4.23Å; K457-F476 HydrophobicContact CG-CD2 4.46Å; K457-F476 HydrophobicContact CG-CE2 4.4Å; I460-F476 HydrophobicContact CD1-CE2 4Å; I460-F476 HydrophobicContact CD1-CZ 4.33Å; I474-F476 HydrophobicContact CG2-CE1 4.42Å; I474-F476 HydrophobicContact CG2-CE2 3.98Å; I474-F476 HydrophobicContact CG2-CZ 3.87Å; F476-L478 HydrophobicContact CD1-CD2 4.19Å; F476-L478 HydrophobicContact CD1-CG 3.94Å; F476-L478 HydrophobicContact CE1-CD1 4.31Å; F476-L478 HydrophobicContact CE1-CD2 4.02Å; F476-L478 HydrophobicContact CE1-CG 3.88Å
477	P	95.6	Very high	91.4	Very high	66 Å²	66	47 Å²	47	43%	0.429	28%	0.282	S	S	.	.	S	Bend	cis	-75.5	150.3	0.9	32	-35.8	0	0	0	112.9	D453 S479 T480	D453-P477 VanDerWaalsContact OD2-CA 3.23Å; D453-P477 WeakPolarHBondContact OD2-CA 3.09Å; P477-S479 WeakPolarHBondContact CG-OG 3.42Å; P477-S479 PolarHBondContact O-N 3.31Å; P477-T480 PolarHBondContact O-N 3.23Å; P477-T480 PolarHBondContact O-OG1 3.13Å
478	L	97.2	Very high	91.6	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.2	-178.6	-69.3	-177	0	0	0	113.3	D453 L456 I474 F476 T480 W481 C523 Q526	D453-L478 WeakPolarHBondContact OD1-CD1 3.27Å; D453-L478 WeakPolarHBondContact OD1-CG 3.45Å; D453-L478 PolarHBondContact OD2-N 2.93Å; L456-L478 HydrophobicContact CD1-CD1 3.62Å; I474-L478 HydrophobicContact CG2-CD2 4.03Å; F476-L478 HydrophobicContact CD1-CD2 4.19Å; F476-L478 HydrophobicContact CD1-CG 3.94Å; F476-L478 HydrophobicContact CE1-CD1 4.31Å; F476-L478 HydrophobicContact CE1-CD2 4.02Å; F476-L478 HydrophobicContact CE1-CG 3.88Å; L478-T480 PolarHBondContact O-N 2.82Å; L478-W481 HydrophobicContact CD2-CB 3.94Å; L478-W481 HydrophobicContact CD2-CD2 4.1Å; L478-W481 HydrophobicContact CD2-CE3 4.16Å; L478-W481 HydrophobicContact CD2-CG 4.02Å; L478-W481 PolarHBondContact O-N 3.07Å; L478-C523 HydrophobicContact CD1-CB 4.26Å; L478-C523 HydrophobicContact CD2-CB 4.14Å; L478-Q526 HydrophobicContact CD1-CB 3.71Å; L478-Q526 HydrophobicContact CD1-CG 4.21Å
479	S	96.2	Very high	92	Very high	63 Å²	63	50.1 Å²	50.1	44%	0.441	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.2	170.7	64.5	0	0	0	0	113.9	P477	P477-S479 WeakPolarHBondContact CG-OG 3.42Å; P477-S479 PolarHBondContact O-N 3.31Å
480	T	94.6	Very high	92.6	Very high	103 Å²	103	46.4 Å²	46.4	63%	0.632	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-9.8	176.7	63.5	0	0	0	0	113.5	P477 L478	P477-T480 PolarHBondContact O-N 3.23Å; P477-T480 PolarHBondContact O-OG1 3.13Å; L478-T480 PolarHBondContact O-N 2.82Å
481	W	96.2	Very high	92.5	Very high	13 Å²	13	47.5 Å²	47.5	5%	0.049	27%	0.273	C	S	.	.			trans	-76.7	146.2	-177.7	-179.2	74.4	0	0	0	112.3	A473 I474 T475 L478 Q483 I520 C523 S527	A473-W481 PolarHBondContact O-NE1 3.3Å; I474-W481 HydrophobicContact CD1-CH2 4.17Å; I474-W481 HydrophobicContact CD1-CZ2 3.31Å; T475-W481 WeakPolarHBondContact O-CB 3.4Å; L478-W481 HydrophobicContact CD2-CB 3.94Å; L478-W481 HydrophobicContact CD2-CD2 4.1Å; L478-W481 HydrophobicContact CD2-CE3 4.16Å; L478-W481 HydrophobicContact CD2-CG 4.02Å; L478-W481 PolarHBondContact O-N 3.07Å; W481-Q483 HydrophobicContact CH2-CB 3.83Å; W481-Q483 HydrophobicContact CH2-CG 4.14Å; W481-Q483 HydrophobicContact CZ2-CB 4.22Å; W481-Q483 HydrophobicContact CZ2-CG 4.48Å; W481-Q483 HydrophobicContact CZ3-CB 4.38Å; W481-I520 HydrophobicContact CH2-CG2 4.38Å; W481-C523 HydrophobicContact CE3-CB 4.07Å; W481-C523 HydrophobicContact CH2-CB 3.71Å; W481-C523 HydrophobicContact CZ2-CB 4.36Å; W481-C523 HydrophobicContact CZ3-CB 3.55Å; W481-S527 PolarHBondContact O-OG 3Å
482	C	92.8	Very high	92.2	Very high	87 Å²	87	43.8 Å²	43.8	59%	0.588	25%	0.254	S	S	*	.			trans	-131.1	148.1	169.3	63.1	0	0	0	0	109.4	T484	C482-T484 PolarHBondContact O-N 3.04Å
483	Q	94.5	Very high	92.4	Very high	27 Å²	27	38 Å²	38	13%	0.126	22%	0.218	C	C	.	.			trans	-68.3	120.4	-177.9	-172.5	-170.1	-3.1	0	0	110.7	W481 L485 D490 F501 I520	W481-Q483 HydrophobicContact CH2-CB 3.83Å; W481-Q483 HydrophobicContact CH2-CG 4.14Å; W481-Q483 HydrophobicContact CZ2-CB 4.22Å; W481-Q483 HydrophobicContact CZ2-CG 4.48Å; W481-Q483 HydrophobicContact CZ3-CB 4.38Å; Q483-L485 VanDerWaalsContact CG-O 3.27Å; Q483-L485 WeakPolarHBondContact CG-O 3.44Å; Q483-L485 PolarHBondContact NE2-O 2.6Å; Q483-D490 PolarHBondContact NE2-OD2 3.47Å; Q483-F501 HydrophobicContact CG-CE1 4.09Å; Q483-F501 HydrophobicContact CG-CZ 4.4Å; Q483-I520 HydrophobicContact CG-CG2 4.31Å
484	T	92	Very high	92.3	Very high	59 Å²	59	38.1 Å²	38.1	36%	0.362	22%	0.217	S	C	.	.			trans	-110	-20.5	177.4	52.8	0	0	0	0	113.1	A473 C482 F501 S505	A473-T484 PolarHBondContact O-OG1 3.35Å; C482-T484 PolarHBondContact O-N 3.04Å; T484-F501 WeakPolarHBondContact O-CD1 3.5Å; T484-S505 WeakPolarHBondContact O-CB 3.07Å; T484-S505 PolarHBondContact O-OG 2.54Å
485	L	92.1	Very high	91.8	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.052	23%	0.234	C	C	.	.	S	Bend	trans	-100.8	124.1	173.7	-71.5	-177.9	0	0	0	110.5	M470 A473 Q483 A508 L512 I520	M470-L485 HydrophobicContact CE-CD1 3.82Å; A473-L485 HydrophobicContact CB-CD1 3.37Å; A473-L485 HydrophobicContact CB-CG 3.65Å; Q483-L485 VanDerWaalsContact CG-O 3.27Å; Q483-L485 WeakPolarHBondContact CG-O 3.44Å; Q483-L485 PolarHBondContact NE2-O 2.6Å; L485-A508 HydrophobicContact CD2-CB 3.79Å; L485-L512 HydrophobicContact CD1-CD2 4.46Å; L485-I520 HydrophobicContact CB-CD1 4.12Å; L485-I520 HydrophobicContact CD1-CD1 4.31Å
486	P	92.6	Very high	91.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-74.6	149.5	178.3	18.3	-13.5	0	0	0	111.8	W90 D490 F501 T506 M509	W90-P486 HydrophobicContact CH2-CB 4.37Å; W90-P486 HydrophobicContact CZ2-CB 4.34Å; P486-D490 HydrophobicContact CB-CB 4.19Å; P486-F501 HydrophobicContact CB-CB 4.44Å; P486-F501 HydrophobicContact CB-CD1 3.78Å; P486-F501 HydrophobicContact CB-CD2 3.67Å; P486-F501 HydrophobicContact CB-CE1 3.83Å; P486-F501 HydrophobicContact CB-CE2 3.71Å; P486-F501 HydrophobicContact CB-CG 3.68Å; P486-F501 HydrophobicContact CB-CZ 3.77Å; P486-F501 HydrophobicContact CG-CB 3.91Å; P486-F501 HydrophobicContact CG-CD1 3.76Å; P486-F501 HydrophobicContact CG-CD2 4.09Å; P486-F501 HydrophobicContact CG-CE1 4.27Å; P486-F501 HydrophobicContact CG-CG 3.63Å; P486-T506 HydrophobicContact CG-CG2 4.02Å; P486-M509 VanDerWaalsContact C-CE 3.42Å; P486-M509 HydrophobicContact CB-CE 3.26Å; P486-M509 HydrophobicContact CG-CE 3.37Å; P486-M509 WeakPolarHBondContact O-CE 3.49Å
487	L	92.7	Very high	91.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-103.1	167.4	169.8	-63.9	166.9	0	0	0	110.5	E489 D490 I491 A517 I520 R521	L487-E489 HydrophobicContact CB-CG 4.08Å; L487-E489 PolarHBondContact O-N 3.33Å; L487-D490 WeakPolarHBondContact CB-OD2 3.24Å; L487-D490 PolarHBondContact N-OD2 2.85Å; L487-D490 WeakPolarHBondContact O-CA 3.26Å; L487-D490 WeakPolarHBondContact O-CB 3.34Å; L487-D490 PolarHBondContact O-N 2.94Å; L487-I491 PolarHBondContact O-N 3.3Å; L487-A517 HydrophobicContact CD2-CB 3.82Å; L487-I520 HydrophobicContact CD1-CB 4.48Å; L487-I520 HydrophobicContact CD1-CG2 3.98Å; L487-I520 HydrophobicContact CD2-CB 4.11Å; L487-I520 HydrophobicContact CD2-CD1 4.12Å; L487-I520 HydrophobicContact CD2-CG2 4.17Å; L487-I520 HydrophobicContact CG-CG2 4.12Å; L487-R521 HydrophobicContact CD1-CG 3.58Å
488	D	88.7	Confident	90.8	Very high	114 Å²	114	33.7 Å²	33.7	61%	0.61	20%	0.202	S	C	*	.	H	α-helix	trans	-53.8	-40.8	176.7	-67.3	-25.6	0	0	0	112.2	D490 I491 Y492	D488-D490 VanDerWaalsContact C-N 3.28Å; D488-D490 PolarHBondContact O-N 3.37Å; D488-I491 WeakPolarHBondContact O-CB 3.3Å; D488-I491 PolarHBondContact O-N 3.36Å; D488-Y492 PolarHBondContact O-N 3.11Å
489	E	90	Very high	90.4	Very high	11 Å²	11	35.8 Å²	35.8	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-26.8	175.9	58	-100.2	-135	0	0	113.7	I413 V417 L487 L493 R521	I413-E489 HydrophobicContact CG2-CB 4.19Å; I413-E489 HydrophobicContact CG2-CG 4.41Å; V417-E489 HydrophobicContact CG2-CB 3.67Å; V417-E489 HydrophobicContact CG2-CG 3.79Å; L487-E489 HydrophobicContact CB-CG 4.08Å; L487-E489 PolarHBondContact O-N 3.33Å; E489-L493 VanDerWaalsContact O-CB 3.23Å; E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 VanDerWaalsContact O-CG 3.31Å; E489-L493 WeakPolarHBondContact O-CG 3.46Å; E489-L493 PolarHBondContact O-N 3.25Å; E489-R521 IonicContact OE1-CZ 3.71Å; E489-R521 IonicContact OE1-NE 3.54Å; E489-R521 PolarHBondContact OE1-NE 2.91Å; E489-R521 IonicContact OE1-NH2 2.69Å; E489-R521 IonicContact OE2-CZ 3.32Å; E489-R521 IonicContact OE2-NE 2.83Å; E489-R521 IonicContact OE2-NH2 2.84Å; E489-R521 PolarHBondContact OE2-NH2 3.2Å
490	D	92.2	Very high	90	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-37	176	-66.6	-54.6	0	0	0	111.8	R416 Q483 P486 L487 D488 Y492 Y494 L497 F501	R416-D490 IonicContact CZ-OD1 3.64Å; R416-D490 IonicContact CZ-OD2 2.76Å; R416-D490 VanDerWaalsContact NH1-CG 3.33Å; R416-D490 IonicContact NH1-OD1 3.23Å; R416-D490 PolarHBondContact NH1-OD1 3.22Å; R416-D490 IonicContact NH1-OD2 3.57Å; R416-D490 PolarHBondContact NH1-OD2 2.77Å; R416-D490 IonicContact NH2-OD1 3.06Å; R416-D490 PolarHBondContact NH2-OD1 3.08Å; R416-D490 IonicContact NH2-OD2 2.72Å; R416-D490 PolarHBondContact NH2-OD2 2.87Å; Q483-D490 PolarHBondContact NE2-OD2 3.47Å; P486-D490 HydrophobicContact CB-CB 4.19Å; L487-D490 WeakPolarHBondContact CB-OD2 3.24Å; L487-D490 PolarHBondContact N-OD2 2.85Å; L487-D490 WeakPolarHBondContact O-CA 3.26Å; L487-D490 WeakPolarHBondContact O-CB 3.34Å; L487-D490 PolarHBondContact O-N 2.94Å; D488-D490 VanDerWaalsContact C-N 3.28Å; D488-D490 PolarHBondContact O-N 3.37Å; D490-Y492 VanDerWaalsContact C-N 3.34Å; D490-Y494 WeakPolarHBondContact O-CA 3.33Å; D490-Y494 WeakPolarHBondContact O-CB 3.42Å; D490-Y494 PolarHBondContact O-N 3.04Å; D490-L497 WeakPolarHBondContact OD1-CD1 3.3Å; D490-F501 HydrophobicContact CB-CE2 3.86Å; D490-F501 HydrophobicContact CB-CZ 4.18Å
491	I	87.1	Confident	89.8	Confident	22 Å²	22	33.7 Å²	33.7	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-45.4	174.4	-70.6	162.5	0	0	0	111	I86 R89 W90 L487 D488 Y494 M509	I86-I491 HydrophobicContact CD1-CB 4.25Å; I86-I491 HydrophobicContact CD1-CD1 3.43Å; I86-I491 VanDerWaalsContact CD1-CD1 3.43Å; I86-I491 HydrophobicContact CD1-CG1 3.6Å; I86-I491 HydrophobicContact CD1-CG2 3.61Å; I86-I491 HydrophobicContact CG1-CG1 4.23Å; I86-I491 HydrophobicContact CG1-CG2 4.13Å; R89-I491 PolarHBondContact NH1-O 3.35Å; W90-I491 HydrophobicContact CH2-CB 4.43Å; W90-I491 HydrophobicContact CH2-CG1 3.68Å; W90-I491 HydrophobicContact CZ2-CG1 4.17Å; L487-I491 PolarHBondContact O-N 3.3Å; D488-I491 WeakPolarHBondContact O-CB 3.3Å; D488-I491 PolarHBondContact O-N 3.36Å; I491-Y494 WeakPolarHBondContact O-CD1 3.45Å; I491-M509 HydrophobicContact CD1-CE 3.3Å; I491-M509 HydrophobicContact CD1-SD 3.23Å; I491-M509 WeakPolarHBondContact CD1-SD 3.3Å; I491-M509 HydrophobicContact CG1-CE 3.61Å; I491-M509 HydrophobicContact CG1-SD 4.19Å
492	Y	83.4	Confident	89.4	Confident	53 Å²	53	36.6 Å²	36.6	21%	0.208	21%	0.211	C	C	.	.	H	α-helix	trans	-76.6	-34.1	-173.2	-176	-105.2	0	0	0	111.4	Y161 Y162 D488 D490	Y161-Y492 WeakPolarHBondContact CD1-OH 3.44Å; Y161-Y492 HydrophobicContact CE1-CE1 4.01Å; Y161-Y492 HydrophobicContact CE1-CE2 4.04Å; Y161-Y492 AromaticContact CE1-CZ 3.43Å; Y161-Y492 VanDerWaalsContact CE1-CZ 3.43Å; Y161-Y492 WeakPolarHBondContact CE1-OH 3.21Å; Y161-Y492 AromaticContact CZ-CE1 3.93Å; Y161-Y492 AromaticContact CZ-CZ 3.85Å; Y162-Y492 HydrophobicContact CE1-CE2 4.41Å; D488-Y492 PolarHBondContact O-N 3.11Å; D490-Y492 VanDerWaalsContact C-N 3.34Å
493	L	89.5	Confident	89	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-107.2	18.9	-174.4	-53.2	-179.8	0	0	0	114.1	V273 S277 V417 E489 D495 I496 L497	V273-L493 HydrophobicContact CG1-CD1 4.1Å; S277-L493 WeakPolarHBondContact OG-CD2 3.13Å; V417-L493 HydrophobicContact CB-CD1 4.33Å; V417-L493 HydrophobicContact CG1-CD1 3.42Å; V417-L493 VanDerWaalsContact CG1-CD1 3.42Å; V417-L493 HydrophobicContact CG2-CD1 3.87Å; E489-L493 VanDerWaalsContact O-CB 3.23Å; E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 VanDerWaalsContact O-CG 3.31Å; E489-L493 WeakPolarHBondContact O-CG 3.46Å; E489-L493 PolarHBondContact O-N 3.25Å; L493-D495 VanDerWaalsContact C-N 3.28Å; L493-D495 PolarHBondContact O-N 3.1Å; L493-D495 VanDerWaalsContact O-N 3.16Å; L493-I496 HydrophobicContact CB-CB 4.42Å; L493-I496 HydrophobicContact CD2-CD1 4.09Å; L493-I496 WeakPolarHBondContact O-CA 3.44Å; L493-I496 PolarHBondContact O-N 2.72Å; L493-L497 HydrophobicContact CB-CD1 3.98Å; L493-L497 HydrophobicContact CB-CG 3.89Å; L493-L497 PolarHBondContact O-N 3.3Å
494	Y	88.3	Confident	88.5	Confident	11 Å²	11	39.3 Å²	39.3	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-49.2	-43.8	-176.7	71.6	-80.7	0	0	0	113.8	R89 P137 Y143 R165 D490 I491 I496 G498	R89-Y494 HydrophobicContact CB-CD1 4.47Å; R89-Y494 HydrophobicContact CB-CD2 4.22Å; R89-Y494 HydrophobicContact CB-CE1 4.5Å; R89-Y494 HydrophobicContact CB-CE2 4.25Å; R89-Y494 HydrophobicContact CB-CG 4.31Å; R89-Y494 WeakPolarHBondContact O-CD2 3.38Å; R89-Y494 WeakPolarHBondContact O-CE2 3.4Å; P137-Y494 HydrophobicContact CB-CE2 4.27Å; P137-Y494 WeakPolarHBondContact CB-OH 3.33Å; Y143-Y494 PolarHBondContact OH-OH 3.33Å; R165-Y494 VanDerWaalsContact NH2-CE1 3.34Å; D490-Y494 WeakPolarHBondContact O-CA 3.33Å; D490-Y494 WeakPolarHBondContact O-CB 3.42Å; D490-Y494 PolarHBondContact O-N 3.04Å; I491-Y494 WeakPolarHBondContact O-CD1 3.45Å; Y494-I496 VanDerWaalsContact C-N 3.29Å; Y494-I496 PolarHBondContact O-N 3.32Å; Y494-G498 WeakPolarHBondContact O-CA 3.26Å; Y494-G498 PolarHBondContact O-N 3.39Å
495	D	83.3	Confident	88.3	Confident	74 Å²	74	37.4 Å²	37.4	40%	0.396	20%	0.204	S	C	.	.	H	α-helix	trans	-68.6	-25.2	177	-78.8	-19.8	0	0	0	114	R165 K284 L493	R165-D495 IonicContact CZ-OD2 3.64Å; R165-D495 IonicContact NE-OD2 3.52Å; R165-D495 IonicContact NH2-OD2 3.23Å; R165-D495 PolarHBondContact NH2-OD2 3.05Å; K284-D495 PolarHBondContact NZ-O 2.95Å; L493-D495 VanDerWaalsContact C-N 3.28Å; L493-D495 PolarHBondContact O-N 3.1Å; L493-D495 VanDerWaalsContact O-N 3.16Å
496	I	88.8	Confident	87.9	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-86.2	-50.6	-179.2	-64.3	173.3	0	0	0	109.4	S277 A280 L281 K284 L493 Y494	S277-I496 VanDerWaalsContact O-CD1 3.25Å; S277-I496 WeakPolarHBondContact O-CD1 3.39Å; A280-I496 HydrophobicContact CB-CD1 4.31Å; A280-I496 HydrophobicContact CB-CG2 3.85Å; L281-I496 HydrophobicContact CB-CD1 4.37Å; K284-I496 PolarHBondContact NZ-O 3.14Å; L493-I496 HydrophobicContact CB-CB 4.42Å; L493-I496 HydrophobicContact CD2-CD1 4.09Å; L493-I496 WeakPolarHBondContact O-CA 3.44Å; L493-I496 PolarHBondContact O-N 2.72Å; Y494-I496 VanDerWaalsContact C-N 3.29Å; Y494-I496 PolarHBondContact O-N 3.32Å
497	L	91.7	Very high	87.5	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-81.2	-29.7	-174.5	-58.2	-175.9	0	0	0	113.1	W421 T424 D490 L493 T499	W421-L497 HydrophobicContact CB-CD2 3.98Å; T424-L497 VanDerWaalsContact CG2-O 3.31Å; T424-L497 WeakPolarHBondContact CG2-O 3.44Å; D490-L497 WeakPolarHBondContact OD1-CD1 3.3Å; L493-L497 HydrophobicContact CB-CD1 3.98Å; L493-L497 HydrophobicContact CB-CG 3.89Å; L493-L497 PolarHBondContact O-N 3.3Å; L497-T499 PolarHBondContact O-N 3.03Å
498	G	83.7	Confident	87.1	Confident	48 Å²	48	41.3 Å²	41.3	50%	0.495	22%	0.223	S	C	.	.			trans	67.1	2.3	174.7	0	0	0	0	0	115.8	Y494 M500	Y494-G498 WeakPolarHBondContact O-CA 3.26Å; Y494-G498 PolarHBondContact O-N 3.39Å; G498-M500 PolarHBondContact O-N 3.01Å
499	T	87.5	Confident	86.8	Confident	44 Å²	44	37 Å²	37	27%	0.27	20%	0.2	S	C	.	.			trans	-67.5	126.3	174.8	-48.3	0	0	0	0	109.5	W90 L497 F501	W90-T499 PolarHBondContact NE1-O 3.11Å; L497-T499 PolarHBondContact O-N 3.03Å; T499-F501 HydrophobicContact CG2-CD2 4.49Å; T499-F501 HydrophobicContact CG2-CE1 4.02Å; T499-F501 HydrophobicContact CG2-CE2 3.69Å; T499-F501 HydrophobicContact CG2-CZ 3.43Å; T499-F501 VanDerWaalsContact CG2-CZ 3.43Å; T499-F501 WeakPolarHBondContact O-CE2 3.39Å
500	M	87.4	Confident	86.2	Confident	113 Å²	113	40.9 Å²	40.9	56%	0.557	23%	0.228	S	C	*	.			trans	-99	139.7	-178.6	-55	-68.2	-77.3	0	0	109.9	W90 G498	W90-M500 HydrophobicContact CB-CE 3.99Å; W90-M500 HydrophobicContact CB-SD 3.95Å; W90-M500 WeakPolarHBondContact O-CE 3.44Å; G498-M500 PolarHBondContact O-N 3.01Å
501	F	90.5	Very high	85.7	Confident	9 Å²	9	48.1 Å²	48.1	4%	0.039	26%	0.26	C	S	.	.			trans	-125.3	151.7	-178.6	-61.7	-83.6	0	0	0	111	W90 Q483 T484 P486 D490 T499 T506	W90-F501 HydrophobicContact CD2-CD2 4.26Å; W90-F501 AromaticContact CE2-CD2 3.66Å; W90-F501 AromaticContact CZ2-CD2 3.85Å; W90-F501 HydrophobicContact CZ2-CD2 3.85Å; W90-F501 HydrophobicContact CZ2-CE2 4.33Å; W90-F501 AromaticContact NE1-CD2 3.63Å; Q483-F501 HydrophobicContact CG-CE1 4.09Å; Q483-F501 HydrophobicContact CG-CZ 4.4Å; T484-F501 WeakPolarHBondContact O-CD1 3.5Å; P486-F501 HydrophobicContact CB-CB 4.44Å; P486-F501 HydrophobicContact CB-CD1 3.78Å; P486-F501 HydrophobicContact CB-CD2 3.67Å; P486-F501 HydrophobicContact CB-CE1 3.83Å; P486-F501 HydrophobicContact CB-CE2 3.71Å; P486-F501 HydrophobicContact CB-CG 3.68Å; P486-F501 HydrophobicContact CB-CZ 3.77Å; P486-F501 HydrophobicContact CG-CB 3.91Å; P486-F501 HydrophobicContact CG-CD1 3.76Å; P486-F501 HydrophobicContact CG-CD2 4.09Å; P486-F501 HydrophobicContact CG-CE1 4.27Å; P486-F501 HydrophobicContact CG-CG 3.63Å; D490-F501 HydrophobicContact CB-CE2 3.86Å; D490-F501 HydrophobicContact CB-CZ 4.18Å; T499-F501 HydrophobicContact CG2-CD2 4.49Å; T499-F501 HydrophobicContact CG2-CE1 4.02Å; T499-F501 HydrophobicContact CG2-CE2 3.69Å; T499-F501 HydrophobicContact CG2-CZ 3.43Å; T499-F501 VanDerWaalsContact CG2-CZ 3.43Å; T499-F501 WeakPolarHBondContact O-CE2 3.39Å; F501-T506 HydrophobicContact CB-CG2 4.24Å
502	T	87.7	Confident	85.7	Confident	74 Å²	74	48.8 Å²	48.8	45%	0.454	26%	0.264	S	S	.	.			trans	-82.5	162.3	177.4	78.7	0	0	0	0	111.3	E504 S505 T506	T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 WeakPolarHBondContact CB-OE2 3.31Å; T502-E504 PolarHBondContact O-N 3.21Å; T502-E504 PolarHBondContact OG1-OE2 3.18Å; T502-S505 PolarHBondContact O-N 3.4Å; T502-S505 PolarHBondContact OG1-N 3.3Å; T502-S505 PolarHBondContact OG1-OG 3.07Å; T502-T506 WeakPolarHBondContact O-CG2 3.4Å; T502-T506 PolarHBondContact O-N 3.36Å; T502-T506 PolarHBondContact O-OG1 3.33Å
503	E	85	Confident	85.9	Confident	44 Å²	44	51.2 Å²	51.2	21%	0.206	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-40.6	177.3	-162.3	-164	141.3	0	0	111.3	A83 H87 T506 K507	A83-E503 WeakPolarHBondContact CB-OE1 3.44Å; H87-E503 HydrophobicContact CB-CG 4.34Å; E503-T506 WeakPolarHBondContact CA-OG1 3.46Å; E503-T506 PolarHBondContact O-N 2.93Å; E503-T506 PolarHBondContact O-OG1 3.33Å; E503-K507 WeakPolarHBondContact O-CG 3.46Å; E503-K507 PolarHBondContact O-N 3.39Å; E503-K507 WeakPolarHBondContact OE1-CE 3.4Å; E503-K507 IonicContact OE1-NZ 2.73Å; E503-K507 PolarHBondContact OE1-NZ 2.86Å
504	E	84.8	Confident	85.8	Confident	127 Å²	127	56.8 Å²	56.8	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-47.4	176.9	-60.4	75.6	-162.9	0	0	111.6	T502 T506 K507 A508	T502-E504 VanDerWaalsContact C-N 3.27Å; T502-E504 WeakPolarHBondContact CB-OE2 3.31Å; T502-E504 PolarHBondContact O-N 3.21Å; T502-E504 PolarHBondContact OG1-OE2 3.18Å; E504-T506 VanDerWaalsContact C-N 3.28Å; E504-T506 PolarHBondContact O-N 3.31Å; E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 VanDerWaalsContact O-N 3.11Å; E504-A508 PolarHBondContact O-N 3.19Å
505	S	87.1	Confident	85.8	Confident	18 Å²	18	57.7 Å²	57.7	13%	0.126	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-37.5	177.8	-66.8	0	0	0	0	112.6	T484 T502 K507 A508 M509	T484-S505 WeakPolarHBondContact O-CB 3.07Å; T484-S505 PolarHBondContact O-OG 2.54Å; T502-S505 PolarHBondContact O-N 3.4Å; T502-S505 PolarHBondContact OG1-N 3.3Å; T502-S505 PolarHBondContact OG1-OG 3.07Å; S505-K507 VanDerWaalsContact C-N 3.31Å; S505-K507 PolarHBondContact O-N 3.41Å; S505-A508 PolarHBondContact O-N 3.45Å; S505-M509 PolarHBondContact O-N 2.81Å
506	T	84.9	Confident	86.2	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-26.8	177.5	57.6	0	0	0	0	113.2	T84 H87 W90 P486 F501 T502 E503 E504	T84-T506 WeakPolarHBondContact CG2-OG1 3.3Å; H87-T506 HydrophobicContact CB-CG2 4.34Å; W90-T506 HydrophobicContact CE3-CG2 4.2Å; W90-T506 HydrophobicContact CH2-CG2 4.23Å; W90-T506 HydrophobicContact CZ3-CG2 3.61Å; P486-T506 HydrophobicContact CG-CG2 4.02Å; F501-T506 HydrophobicContact CB-CG2 4.24Å; T502-T506 WeakPolarHBondContact O-CG2 3.4Å; T502-T506 PolarHBondContact O-N 3.36Å; T502-T506 PolarHBondContact O-OG1 3.33Å; E503-T506 WeakPolarHBondContact CA-OG1 3.46Å; E503-T506 PolarHBondContact O-N 2.93Å; E503-T506 PolarHBondContact O-OG1 3.33Å; E504-T506 VanDerWaalsContact C-N 3.28Å; E504-T506 PolarHBondContact O-N 3.31Å
507	K	84.1	Confident	86.3	Confident	77 Å²	77	55.4 Å²	55.4	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-70.4	-46.5	173.4	-67.2	172.4	-163.1	176.5	0	111.1	A83 T84 E503 E504 S505 M509 S510	A83-K507 HydrophobicContact CB-CD 4.4Å; A83-K507 VanDerWaalsContact CB-NZ 3.25Å; T84-K507 HydrophobicContact CG2-CG 4.39Å; T84-K507 WeakPolarHBondContact OG1-CE 3.44Å; T84-K507 WeakPolarHBondContact OG1-CG 3.37Å; E503-K507 WeakPolarHBondContact O-CG 3.46Å; E503-K507 PolarHBondContact O-N 3.39Å; E503-K507 WeakPolarHBondContact OE1-CE 3.4Å; E503-K507 IonicContact OE1-NZ 2.73Å; E503-K507 PolarHBondContact OE1-NZ 2.86Å; E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 3.45Å; E504-K507 VanDerWaalsContact O-N 3.11Å; S505-K507 VanDerWaalsContact C-N 3.31Å; S505-K507 PolarHBondContact O-N 3.41Å; K507-M509 PolarHBondContact O-N 2.6Å; K507-S510 PolarHBondContact O-N 3.43Å; K507-S510 PolarHBondContact O-OG 2.8Å
508	A	84.5	Confident	86.4	Confident	13 Å²	13	55.3 Å²	55.3	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-33.3	-179.1	0	0	0	0	0	112.2	L485 E504 S505 S510 F511	L485-A508 HydrophobicContact CD2-CB 3.79Å; E504-A508 PolarHBondContact O-N 3.19Å; S505-A508 PolarHBondContact O-N 3.45Å; A508-S510 PolarHBondContact O-N 3.28Å; A508-F511 PolarHBondContact O-N 3.34Å
509	M	82.3	Confident	87	Confident	24 Å²	24	53 Å²	53	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-54.1	-37.5	177.3	-177.1	-154.9	-82.2	0	0	113.8	P486 I491 S505 K507 F511 L512	P486-M509 VanDerWaalsContact C-CE 3.42Å; P486-M509 HydrophobicContact CB-CE 3.26Å; P486-M509 HydrophobicContact CG-CE 3.37Å; P486-M509 WeakPolarHBondContact O-CE 3.49Å; I491-M509 HydrophobicContact CD1-CE 3.3Å; I491-M509 HydrophobicContact CD1-SD 3.23Å; I491-M509 WeakPolarHBondContact CD1-SD 3.3Å; I491-M509 HydrophobicContact CG1-CE 3.61Å; I491-M509 HydrophobicContact CG1-SD 4.19Å; S505-M509 PolarHBondContact O-N 2.81Å; K507-M509 PolarHBondContact O-N 2.6Å; M509-F511 PolarHBondContact O-N 3.34Å; M509-L512 HydrophobicContact CB-CD1 4.42Å; M509-L512 HydrophobicContact CG-CD1 4.23Å; M509-L512 WeakPolarHBondContact O-CB 3.38Å; M509-L512 PolarHBondContact O-N 3.17Å
510	S	77.3	Confident	87.4	Confident	93 Å²	93	51 Å²	51	65%	0.65	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-11.1	-176.3	64.1	0	0	0	0	114.4	K507 A508	K507-S510 PolarHBondContact O-N 3.43Å; K507-S510 PolarHBondContact O-OG 2.8Å; A508-S510 PolarHBondContact O-N 3.28Å
511	F	81.1	Confident	87.7	Confident	153 Å²	153	46.7 Å²	46.7	67%	0.671	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.3	178.8	-55.6	-74.9	0	0	0	113.8	A508 M509 Q513	A508-F511 PolarHBondContact O-N 3.34Å; M509-F511 PolarHBondContact O-N 3.34Å; F511-Q513 PolarHBondContact O-N 3.26Å
512	L	87	Confident	88	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.194	24%	0.235	C	C	.	.			trans	-71	127.2	-176.7	-66.2	177.6	0	0	0	111.4	M470 L485 M509 D516 I520	M470-L512 HydrophobicContact CE-CD2 3.83Å; L485-L512 HydrophobicContact CD1-CD2 4.46Å; M509-L512 HydrophobicContact CB-CD1 4.42Å; M509-L512 HydrophobicContact CG-CD1 4.23Å; M509-L512 WeakPolarHBondContact O-CB 3.38Å; M509-L512 PolarHBondContact O-N 3.17Å; L512-D516 HydrophobicContact CB-CB 4.39Å; L512-D516 HydrophobicContact CD2-CB 3.84Å; L512-I520 HydrophobicContact CD1-CD1 4Å; L512-I520 HydrophobicContact CD2-CD1 4.48Å
513	Q	88.2	Confident	88.5	Confident	104 Å²	104	43 Å²	43	49%	0.486	21%	0.213	S	C	.	.			trans	-83.3	167.1	171.5	-58.7	-174.2	-16.5	0	0	111.3	F511 K515 D516 A517	F511-Q513 PolarHBondContact O-N 3.26Å; Q513-K515 PolarHBondContact O-N 2.82Å; Q513-D516 WeakPolarHBondContact CB-OD2 3.35Å; Q513-D516 PolarHBondContact N-OD2 3.07Å; Q513-D516 PolarHBondContact O-N 3.44Å; Q513-A517 PolarHBondContact O-N 3.13Å
514	K	86.8	Confident	89.1	Confident	117 Å²	117	41.3 Å²	41.3	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-51.8	-40.5	176.2	-168.5	-168.5	-169.2	-159.2	0	112.3	S407 D408 C518	S407-K514 WeakPolarHBondContact O-CE 2.98Å; S407-K514 PolarHBondContact O-NZ 3.47Å; S407-K514 VanDerWaalsContact O-NZ 3.1Å; D408-K514 IonicContact OD1-NZ 2.86Å; D408-K514 PolarHBondContact OD1-NZ 2.82Å; K514-C518 WeakPolarHBondContact O-CB 3.21Å; K514-C518 PolarHBondContact O-N 3.02Å
515	K	88	Confident	89.7	Confident	30 Å²	30	35.4 Å²	35.4	13%	0.13	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-42.9	178.8	-174.1	169	59.6	79.6	0	112.1	L403 D463 L466 Q513 C518 F519	L403-K515 HydrophobicContact CD2-CD 4.1Å; L403-K515 HydrophobicContact CD2-CG 3.66Å; L403-K515 HydrophobicContact CG-CG 3.95Å; D463-K515 VanDerWaalsContact CG-NZ 3.25Å; D463-K515 IonicContact OD1-NZ 3.4Å; D463-K515 PolarHBondContact OD1-NZ 3.01Å; D463-K515 IonicContact OD2-NZ 2.82Å; D463-K515 PolarHBondContact OD2-NZ 3.49Å; L466-K515 HydrophobicContact CD1-CG 4.19Å; Q513-K515 PolarHBondContact O-N 2.82Å; K515-C518 WeakPolarHBondContact O-CB 3.43Å; K515-C518 PolarHBondContact O-N 3.25Å; K515-F519 PolarHBondContact O-N 3.36Å
516	D	91.5	Very high	90.2	Very high	15 Å²	15	34.9 Å²	34.9	8%	0.08	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-43.8	177.8	-48.6	-35.1	0	0	0	110.6	M470 L512 Q513 C518 F519 I520	M470-D516 HydrophobicContact CE-CB 4.36Å; L512-D516 HydrophobicContact CB-CB 4.39Å; L512-D516 HydrophobicContact CD2-CB 3.84Å; Q513-D516 WeakPolarHBondContact CB-OD2 3.35Å; Q513-D516 PolarHBondContact N-OD2 3.07Å; Q513-D516 PolarHBondContact O-N 3.44Å; D516-C518 VanDerWaalsContact C-N 3.3Å; D516-C518 PolarHBondContact O-N 2.72Å; D516-F519 WeakPolarHBondContact O-CB 3.3Å; D516-F519 PolarHBondContact O-N 3.44Å; D516-I520 WeakPolarHBondContact O-CG1 3.33Å; D516-I520 PolarHBondContact O-N 3.36Å
517	A	91.9	Very high	90.8	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-38.8	174.5	0	0	0	0	0	111.9	L487 Q513 R521	L487-A517 HydrophobicContact CD2-CB 3.82Å; Q513-A517 PolarHBondContact O-N 3.13Å; A517-R521 VanDerWaalsContact O-CG 3.24Å; A517-R521 WeakPolarHBondContact O-CG 3.4Å; A517-R521 PolarHBondContact O-N 3.22Å
518	C	93.5	Very high	91.4	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-43.8	173.4	-171.7	0	0	0	0	112	L403 S407 K514 K515 D516 I520 R521 I522	L403-C518 HydrophobicContact CD1-CB 4.13Å; S407-C518 VanDerWaalsContact CA-SG 3.55Å; K514-C518 WeakPolarHBondContact O-CB 3.21Å; K514-C518 PolarHBondContact O-N 3.02Å; K515-C518 WeakPolarHBondContact O-CB 3.43Å; K515-C518 PolarHBondContact O-N 3.25Å; D516-C518 VanDerWaalsContact C-N 3.3Å; D516-C518 PolarHBondContact O-N 2.72Å; C518-I520 PolarHBondContact O-N 3.38Å; C518-R521 WeakPolarHBondContact O-CB 3.27Å; C518-R521 PolarHBondContact O-N 2.88Å; C518-I522 WeakPolarHBondContact O-CG1 3.47Å; C518-I522 PolarHBondContact O-N 2.88Å
519	F	95.4	Very high	92.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-50.5	177.2	-171.4	-80.2	0	0	0	111.3	L403 L456 I459 I460 L466 M470 I474 K515 D516 R521 I522 C523	L403-F519 HydrophobicContact CD1-CB 4.19Å; L403-F519 HydrophobicContact CD2-CB 4.4Å; L403-F519 HydrophobicContact CD2-CD2 3.92Å; L456-F519 HydrophobicContact CB-CE2 4.15Å; L456-F519 HydrophobicContact CB-CZ 3.88Å; L456-F519 HydrophobicContact CD2-CD2 3.94Å; L456-F519 HydrophobicContact CD2-CE1 4.42Å; L456-F519 HydrophobicContact CD2-CE2 3.51Å; L456-F519 HydrophobicContact CD2-CZ 3.78Å; L456-F519 HydrophobicContact CG-CE2 4.45Å; L456-F519 HydrophobicContact CG-CZ 4.39Å; I459-F519 HydrophobicContact CB-CE2 4.13Å; I459-F519 HydrophobicContact CG2-CD2 4.16Å; I459-F519 HydrophobicContact CG2-CE2 3.93Å; I460-F519 HydrophobicContact CD1-CE1 4.02Å; I460-F519 HydrophobicContact CD1-CE2 4.47Å; I460-F519 HydrophobicContact CD1-CZ 3.57Å; I460-F519 HydrophobicContact CG1-CE1 4.39Å; I460-F519 HydrophobicContact CG1-CE2 4.09Å; I460-F519 HydrophobicContact CG1-CZ 3.67Å; L466-F519 HydrophobicContact CD1-CB 4.16Å; L466-F519 HydrophobicContact CD1-CD2 4.01Å; L466-F519 HydrophobicContact CD1-CG 4.25Å; L466-F519 HydrophobicContact CD2-CD2 4.07Å; L466-F519 HydrophobicContact CD2-CE2 4.13Å; L466-F519 HydrophobicContact CD2-CG 4.47Å; M470-F519 HydrophobicContact CG-CD1 4.28Å; M470-F519 HydrophobicContact SD-CD1 3.99Å; I474-F519 HydrophobicContact CG1-CD1 4.48Å; I474-F519 HydrophobicContact CG1-CE1 3.99Å; I474-F519 HydrophobicContact CG2-CE1 4.42Å; K515-F519 PolarHBondContact O-N 3.36Å; D516-F519 WeakPolarHBondContact O-CB 3.3Å; D516-F519 PolarHBondContact O-N 3.44Å; F519-R521 VanDerWaalsContact C-N 3.32Å; F519-R521 PolarHBondContact O-N 3.23Å; F519-I522 WeakPolarHBondContact O-CB 3.49Å; F519-I522 PolarHBondContact O-N 3.08Å; F519-C523 VanDerWaalsContact CE1-SG 3.52Å; F519-C523 PolarHBondContact O-N 3.47Å; F519-C523 PolarHBondContact O-SG 3.02Å; F519-C523 VanDerWaalsContact O-SG 3.4Å
520	I	95.6	Very high	92.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-40.5	177.5	-61.9	165.4	0	0	0	111	M470 W481 Q483 L485 L487 L512 D516 C518 I522 C523 C524	M470-I520 HydrophobicContact CE-CD1 4.05Å; M470-I520 HydrophobicContact CE-CG1 4.31Å; M470-I520 HydrophobicContact SD-CD1 4.25Å; M470-I520 HydrophobicContact SD-CG1 3.84Å; W481-I520 HydrophobicContact CH2-CG2 4.38Å; Q483-I520 HydrophobicContact CG-CG2 4.31Å; L485-I520 HydrophobicContact CB-CD1 4.12Å; L485-I520 HydrophobicContact CD1-CD1 4.31Å; L487-I520 HydrophobicContact CD1-CB 4.48Å; L487-I520 HydrophobicContact CD1-CG2 3.98Å; L487-I520 HydrophobicContact CD2-CB 4.11Å; L487-I520 HydrophobicContact CD2-CD1 4.12Å; L487-I520 HydrophobicContact CD2-CG2 4.17Å; L487-I520 HydrophobicContact CG-CG2 4.12Å; L512-I520 HydrophobicContact CD1-CD1 4Å; L512-I520 HydrophobicContact CD2-CD1 4.48Å; D516-I520 WeakPolarHBondContact O-CG1 3.33Å; D516-I520 PolarHBondContact O-N 3.36Å; C518-I520 PolarHBondContact O-N 3.38Å; I520-I522 VanDerWaalsContact C-N 3.33Å; I520-I522 PolarHBondContact O-N 3.47Å; I520-C523 WeakPolarHBondContact O-CB 3.26Å; I520-C523 PolarHBondContact O-N 3.18Å; I520-C524 PolarHBondContact O-N 3.47Å; I520-C524 PolarHBondContact O-SG 3.45Å; I520-C524 VanDerWaalsContact O-SG 3.32Å
521	R	95.2	Very high	93.7	Very high	24 Å²	24	27.7 Å²	27.7	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-41.6	176.6	-73.7	172.3	-170.7	119.1	2.2	112	R416 L487 E489 A517 C518 F519 C524 L525	R416-R521 HydrophobicContact CB-CB 4.45Å; R416-R521 HydrophobicContact CB-CG 4.32Å; R416-R521 HydrophobicContact CG-CB 4.37Å; R416-R521 HydrophobicContact CG-CG 4.17Å; L487-R521 HydrophobicContact CD1-CG 3.58Å; E489-R521 IonicContact OE1-CZ 3.71Å; E489-R521 IonicContact OE1-NE 3.54Å; E489-R521 PolarHBondContact OE1-NE 2.91Å; E489-R521 IonicContact OE1-NH2 2.69Å; E489-R521 IonicContact OE2-CZ 3.32Å; E489-R521 IonicContact OE2-NE 2.83Å; E489-R521 IonicContact OE2-NH2 2.84Å; E489-R521 PolarHBondContact OE2-NH2 3.2Å; A517-R521 VanDerWaalsContact O-CG 3.24Å; A517-R521 WeakPolarHBondContact O-CG 3.4Å; A517-R521 PolarHBondContact O-N 3.22Å; C518-R521 WeakPolarHBondContact O-CB 3.27Å; C518-R521 PolarHBondContact O-N 2.88Å; F519-R521 VanDerWaalsContact C-N 3.32Å; F519-R521 PolarHBondContact O-N 3.23Å; R521-C524 WeakPolarHBondContact O-CB 3.48Å; R521-C524 PolarHBondContact O-N 2.96Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 2.88Å
522	I	96.7	Very high	94.5	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-46.3	174.4	-67.4	164.2	0	0	0	110	L403 L406 L450 P451 L456 C518 F519 I520 C524 L525 Q526	L403-I522 HydrophobicContact CD1-CD1 3.72Å; L406-I522 HydrophobicContact CD1-CD1 3.87Å; L450-I522 HydrophobicContact CB-CG2 4.14Å; L450-I522 HydrophobicContact CD1-CG2 4.46Å; P451-I522 HydrophobicContact CG-CD1 4.36Å; L456-I522 HydrophobicContact CD1-CG2 4.16Å; L456-I522 HydrophobicContact CD2-CG2 4.02Å; C518-I522 WeakPolarHBondContact O-CG1 3.47Å; C518-I522 PolarHBondContact O-N 2.88Å; F519-I522 WeakPolarHBondContact O-CB 3.49Å; F519-I522 PolarHBondContact O-N 3.08Å; I520-I522 VanDerWaalsContact C-N 3.33Å; I520-I522 PolarHBondContact O-N 3.47Å; I522-C524 VanDerWaalsContact C-N 3.32Å; I522-C524 PolarHBondContact O-N 3.24Å; I522-L525 PolarHBondContact O-N 3.2Å; I522-L525 VanDerWaalsContact O-N 3.14Å; I522-Q526 HydrophobicContact CG2-CG 4.28Å; I522-Q526 WeakPolarHBondContact O-CG 3.32Å; I522-Q526 PolarHBondContact O-N 3.32Å
523	C	97.5	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-42.1	175.5	-64.6	0	0	0	0	112.3	I474 L478 W481 F519 I520 L525 S527	I474-C523 HydrophobicContact CD1-CB 4.47Å; L478-C523 HydrophobicContact CD1-CB 4.26Å; L478-C523 HydrophobicContact CD2-CB 4.14Å; W481-C523 HydrophobicContact CE3-CB 4.07Å; W481-C523 HydrophobicContact CH2-CB 3.71Å; W481-C523 HydrophobicContact CZ2-CB 4.36Å; W481-C523 HydrophobicContact CZ3-CB 3.55Å; F519-C523 VanDerWaalsContact CE1-SG 3.52Å; F519-C523 PolarHBondContact O-N 3.47Å; F519-C523 PolarHBondContact O-SG 3.02Å; F519-C523 VanDerWaalsContact O-SG 3.4Å; I520-C523 WeakPolarHBondContact O-CB 3.26Å; I520-C523 PolarHBondContact O-N 3.18Å; C523-L525 PolarHBondContact O-N 3.1Å; C523-S527 WeakPolarHBondContact O-CB 3.38Å; C523-S527 PolarHBondContact O-N 2.95Å
524	C	97.1	Very high	95.3	Very high	10 Å²	10	24.1 Å²	24.1	7%	0.068	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-42.6	175.4	-69.8	0	0	0	0	112.3	R416 I520 R521 I522 F528	R416-C524 HydrophobicContact CG-CB 3.74Å; I520-C524 PolarHBondContact O-N 3.47Å; I520-C524 PolarHBondContact O-SG 3.45Å; I520-C524 VanDerWaalsContact O-SG 3.32Å; R521-C524 WeakPolarHBondContact O-CB 3.48Å; R521-C524 PolarHBondContact O-N 2.96Å; I522-C524 VanDerWaalsContact C-N 3.32Å; I522-C524 PolarHBondContact O-N 3.24Å; C524-F528 WeakPolarHBondContact O-CB 3.42Å; C524-F528 PolarHBondContact O-N 3.44Å
525	L	97.6	Very high	95.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-47	178.7	-70.3	171.5	0	0	0	111.4	W411 L415 R416 C419 L447 L450 R521 I522 C523 F528 G529	W411-L525 HydrophobicContact CZ3-CD1 4.42Å; L415-L525 HydrophobicContact CB-CD2 4.42Å; L415-L525 HydrophobicContact CD2-CD2 4.23Å; L415-L525 HydrophobicContact CG-CD2 4Å; R416-L525 HydrophobicContact CB-CD2 4.4Å; R416-L525 HydrophobicContact CB-CG 4.47Å; C419-L525 HydrophobicContact CB-CD2 4.22Å; L447-L525 HydrophobicContact CD2-CB 3.89Å; L447-L525 WeakPolarHBondContact CD2-O 3.39Å; L450-L525 HydrophobicContact CD1-CB 3.95Å; L450-L525 HydrophobicContact CD1-CD1 3.88Å; R521-L525 WeakPolarHBondContact O-CG 3.38Å; R521-L525 PolarHBondContact O-N 2.88Å; I522-L525 PolarHBondContact O-N 3.2Å; I522-L525 VanDerWaalsContact O-N 3.14Å; C523-L525 PolarHBondContact O-N 3.1Å; L525-F528 WeakPolarHBondContact O-CB 3.38Å; L525-F528 PolarHBondContact O-N 2.88Å; L525-F528 VanDerWaalsContact O-N 3.12Å; L525-G529 PolarHBondContact O-N 2.95Å; L525-G529 VanDerWaalsContact O-N 3.07Å
526	Q	97.9	Very high	95.8	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-45.8	176.1	-67	-64.4	22	0	0	111.8	L447 P451 L478 I522 F528 G529 H530	L447-Q526 PolarHBondContact O-NE2 3.22Å; P451-Q526 PolarHBondContact O-NE2 3.37Å; L478-Q526 HydrophobicContact CD1-CB 3.71Å; L478-Q526 HydrophobicContact CD1-CG 4.21Å; I522-Q526 HydrophobicContact CG2-CG 4.28Å; I522-Q526 WeakPolarHBondContact O-CG 3.32Å; I522-Q526 PolarHBondContact O-N 3.32Å; Q526-F528 PolarHBondContact O-N 3.46Å; Q526-G529 WeakPolarHBondContact O-CA 3.46Å; Q526-G529 PolarHBondContact O-N 3.35Å; Q526-H530 PolarHBondContact O-CD2 3.03Å; Q526-H530 PolarHBondContact O-N 3.02Å
527	S	97.6	Very high	95.8	Very high	9 Å²	9	28.9 Å²	28.9	6%	0.063	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-33.9	174.5	176.5	0	0	0	0	111.9	R423 W481 C523 H530 H531	R423-S527 PolarHBondContact NH2-O 3.32Å; R423-S527 PolarHBondContact NH2-OG 3.23Å; R423-S527 VanDerWaalsContact NH2-OG 3.09Å; W481-S527 PolarHBondContact O-OG 3Å; C523-S527 WeakPolarHBondContact O-CB 3.38Å; C523-S527 PolarHBondContact O-N 2.95Å; S527-H530 PolarHBondContact O-N 2.89Å; S527-H531 WeakPolarHBondContact O-CB 3.32Å; S527-H531 PolarHBondContact O-N 3.41Å
528	F	97.4	Very high	95.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-40.4	175.1	-178.2	-107	0	0	0	111.8	C419 L422 R423 I429 W440 L443 C524 L525 Q526 H530 H531 L532	C419-F528 HydrophobicContact CB-CB 4.12Å; C419-F528 HydrophobicContact CB-CD1 3.72Å; C419-F528 HydrophobicContact CB-CD2 4.16Å; C419-F528 HydrophobicContact CB-CE1 4.13Å; C419-F528 HydrophobicContact CB-CG 3.73Å; C419-F528 WeakPolarHBondContact O-CD2 3.48Å; C419-F528 WeakPolarHBondContact O-CE2 3.48Å; C419-F528 VanDerWaalsContact SG-CD1 3.54Å; L422-F528 HydrophobicContact CB-CE2 4.02Å; L422-F528 HydrophobicContact CB-CZ 3.9Å; L422-F528 HydrophobicContact CD1-CZ 4.03Å; R423-F528 HydrophobicContact CB-CD2 4.39Å; R423-F528 HydrophobicContact CB-CE2 4.43Å; I429-F528 HydrophobicContact CD1-CE2 4.29Å; W440-F528 HydrophobicContact CZ3-CE1 4.2Å; W440-F528 HydrophobicContact CZ3-CZ 4.36Å; L443-F528 HydrophobicContact CD2-CD1 3.99Å; L443-F528 HydrophobicContact CD2-CE1 3.73Å; C524-F528 WeakPolarHBondContact O-CB 3.42Å; C524-F528 PolarHBondContact O-N 3.44Å; L525-F528 WeakPolarHBondContact O-CB 3.38Å; L525-F528 PolarHBondContact O-N 2.88Å; L525-F528 VanDerWaalsContact O-N 3.12Å; Q526-F528 PolarHBondContact O-N 3.46Å; F528-H530 VanDerWaalsContact C-N 3.34Å; F528-H530 PolarHBondContact O-N 3.29Å; F528-H531 WeakPolarHBondContact O-CB 3.15Å; F528-H531 PolarHBondContact O-N 2.85Å; F528-H531 VanDerWaalsContact O-N 3.12Å; F528-L532 HydrophobicContact CD1-CD1 4.31Å; F528-L532 HydrophobicContact CE1-CD1 3.91Å; F528-L532 HydrophobicContact CE1-CD2 4.25Å; F528-L532 HydrophobicContact CE1-CG 4.19Å; F528-L532 HydrophobicContact CE2-CD2 4.36Å; F528-L532 HydrophobicContact CZ-CD1 4.41Å; F528-L532 HydrophobicContact CZ-CD2 3.91Å; F528-L532 HydrophobicContact CZ-CG 4.3Å; F528-L532 WeakPolarHBondContact O-CG 3.2Å; F528-L532 PolarHBondContact O-N 3Å
529	G	97.7	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-52.5	-51.2	168.9	0	0	0	0	0	112	L525 Q526 H531 L532 V533 F540	L525-G529 PolarHBondContact O-N 2.95Å; L525-G529 VanDerWaalsContact O-N 3.07Å; Q526-G529 WeakPolarHBondContact O-CA 3.46Å; Q526-G529 PolarHBondContact O-N 3.35Å; G529-H531 VanDerWaalsContact C-N 3.29Å; G529-H531 PolarHBondContact O-N 3.45Å; G529-L532 WeakPolarHBondContact O-CB 3.14Å; G529-L532 PolarHBondContact O-N 2.97Å; G529-L532 VanDerWaalsContact O-N 3.13Å; G529-V533 PolarHBondContact O-N 3.37Å; G529-F540 WeakPolarHBondContact O-CE1 3.2Å
530	H	97.9	Very high	94.8	Very high	19 Å²	19	39.7 Å²	39.7	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-32.7	177	-70.3	-61.7	0	0	0	113.7	Q526 S527 F528 L532 V533 K534 Y542 F549	Q526-H530 PolarHBondContact O-CD2 3.03Å; Q526-H530 PolarHBondContact O-N 3.02Å; S527-H530 PolarHBondContact O-N 2.89Å; F528-H530 VanDerWaalsContact C-N 3.34Å; F528-H530 PolarHBondContact O-N 3.29Å; H530-L532 VanDerWaalsContact C-N 3.34Å; H530-V533 WeakPolarHBondContact O-CB 3.47Å; H530-V533 PolarHBondContact O-N 3.29Å; H530-K534 WeakPolarHBondContact O-CB 3.23Å; H530-K534 PolarHBondContact O-N 3.33Å; H530-Y542 AromaticContact CE1-CD1 3.78Å; H530-Y542 AromaticContact CE1-CD2 3.74Å; H530-Y542 AromaticContact CE1-CE1 3.69Å; H530-Y542 AromaticContact CE1-CE2 3.67Å; H530-Y542 AromaticContact CE1-CG 3.79Å; H530-Y542 AromaticContact CE1-CZ 3.63Å; H530-F549 AromaticContact CE1-CZ 3.96Å; H530-F549 AromaticContact NE2-CZ 3.96Å
531	H	96.9	Very high	94.8	Very high	31 Å²	31	42.1 Å²	42.1	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-40.5	173.7	179.3	70.3	0	0	0	111.7	D426 S527 F528 G529 V533 K534 M535	D426-H531 IonicContact OD1-NE2 2.58Å; S527-H531 WeakPolarHBondContact O-CB 3.32Å; S527-H531 PolarHBondContact O-N 3.41Å; F528-H531 WeakPolarHBondContact O-CB 3.15Å; F528-H531 PolarHBondContact O-N 2.85Å; F528-H531 VanDerWaalsContact O-N 3.12Å; G529-H531 VanDerWaalsContact C-N 3.29Å; G529-H531 PolarHBondContact O-N 3.45Å; H531-V533 VanDerWaalsContact C-N 3.35Å; H531-V533 PolarHBondContact O-N 3.35Å; H531-K534 PolarHBondContact O-N 2.86Å; H531-M535 WeakPolarHBondContact O-CB 3.33Å; H531-M535 VanDerWaalsContact O-CG 3.32Å; H531-M535 WeakPolarHBondContact O-CG 3.37Å; H531-M535 PolarHBondContact O-N 3.33Å
532	L	96.5	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-39.3	174.3	-60.5	175.4	0	0	0	112.3	I429 W440 L443 F528 G529 H530 M535 K536 V537 F540	I429-L532 HydrophobicContact CD1-CD2 4.35Å; I429-L532 HydrophobicContact CG2-CD2 3.7Å; W440-L532 HydrophobicContact CD2-CD1 4.23Å; W440-L532 HydrophobicContact CE3-CD1 3.48Å; W440-L532 VanDerWaalsContact CE3-CD1 3.48Å; W440-L532 HydrophobicContact CE3-CD2 4.34Å; W440-L532 HydrophobicContact CH2-CD1 4.49Å; W440-L532 HydrophobicContact CH2-CD2 4Å; W440-L532 HydrophobicContact CZ2-CD2 4.43Å; W440-L532 HydrophobicContact CZ3-CD1 3.64Å; W440-L532 HydrophobicContact CZ3-CD2 3.96Å; W440-L532 HydrophobicContact CZ3-CG 4.48Å; L443-L532 HydrophobicContact CD2-CD1 3.57Å; F528-L532 HydrophobicContact CD1-CD1 4.31Å; F528-L532 HydrophobicContact CE1-CD1 3.91Å; F528-L532 HydrophobicContact CE1-CD2 4.25Å; F528-L532 HydrophobicContact CE1-CG 4.19Å; F528-L532 HydrophobicContact CE2-CD2 4.36Å; F528-L532 HydrophobicContact CZ-CD1 4.41Å; F528-L532 HydrophobicContact CZ-CD2 3.91Å; F528-L532 HydrophobicContact CZ-CG 4.3Å; F528-L532 WeakPolarHBondContact O-CG 3.2Å; F528-L532 PolarHBondContact O-N 3Å; G529-L532 WeakPolarHBondContact O-CB 3.14Å; G529-L532 PolarHBondContact O-N 2.97Å; G529-L532 VanDerWaalsContact O-N 3.13Å; H530-L532 VanDerWaalsContact C-N 3.34Å; L532-M535 PolarHBondContact O-N 2.89Å; L532-K536 PolarHBondContact O-N 2.97Å; L532-V537 HydrophobicContact CB-CB 4.49Å; L532-V537 HydrophobicContact CB-CG2 4.14Å; L532-V537 HydrophobicContact CD2-CG2 3.96Å; L532-V537 PolarHBondContact O-N 2.97Å; L532-F540 HydrophobicContact CB-CD1 3.79Å; L532-F540 HydrophobicContact CB-CE1 3.84Å; L532-F540 HydrophobicContact CB-CG 4.43Å; L532-F540 HydrophobicContact CB-CZ 4.49Å; L532-F540 HydrophobicContact CD1-CE1 4.3Å; L532-F540 HydrophobicContact CD1-CE2 4.37Å; L532-F540 HydrophobicContact CD1-CZ 4.13Å
533	V	97	Very high	94.8	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-46.7	173.4	179.1	0	0	0	0	110.7	G529 H530 H531 M535 K536 F540 F549	G529-V533 PolarHBondContact O-N 3.37Å; H530-V533 WeakPolarHBondContact O-CB 3.47Å; H530-V533 PolarHBondContact O-N 3.29Å; H531-V533 VanDerWaalsContact C-N 3.35Å; H531-V533 PolarHBondContact O-N 3.35Å; V533-M535 VanDerWaalsContact C-N 3.3Å; V533-M535 PolarHBondContact O-N 3.07Å; V533-K536 WeakPolarHBondContact O-CA 3.39Å; V533-K536 PolarHBondContact O-N 3.1Å; V533-F540 HydrophobicContact CG2-CD1 3.64Å; V533-F540 HydrophobicContact CG2-CE1 3.72Å; V533-F549 HydrophobicContact CG2-CD1 4.28Å; V533-F549 HydrophobicContact CG2-CE1 4.27Å
534	K	95.4	Very high	94.7	Very high	174 Å²	174	52.7 Å²	52.7	76%	0.757	27%	0.266	S	S	*	.	H	α-helix	trans	-61.2	-39.6	177.7	-178	-179.3	177.5	-178.9	0	112.1	H530 H531 K536	H530-K534 WeakPolarHBondContact O-CB 3.23Å; H530-K534 PolarHBondContact O-N 3.33Å; H531-K534 PolarHBondContact O-N 2.86Å; K534-K536 PolarHBondContact O-N 3.09Å
535	M	93.5	Very high	94.5	Very high	66 Å²	66	60.9 Å²	60.9	33%	0.325	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.1	175	-75.3	-59.8	-65.9	0	0	113.4	D426 H531 L532 V533 V537	D426-M535 HydrophobicContact CB-CE 3.6Å; D426-M535 WeakPolarHBondContact OD2-CE 3.5Å; H531-M535 WeakPolarHBondContact O-CB 3.33Å; H531-M535 VanDerWaalsContact O-CG 3.32Å; H531-M535 WeakPolarHBondContact O-CG 3.37Å; H531-M535 PolarHBondContact O-N 3.33Å; L532-M535 PolarHBondContact O-N 2.89Å; V533-M535 VanDerWaalsContact C-N 3.3Å; V533-M535 PolarHBondContact O-N 3.07Å; M535-V537 HydrophobicContact CB-CG2 4.14Å; M535-V537 PolarHBondContact O-N 3.07Å
536	K	92	Very high	94.3	Very high	181 Å²	181	67.5 Å²	67.5	79%	0.787	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	43.5	-175.9	-57	178.9	179.3	178.8	0	111.5	L532 V533 K534	L532-K536 PolarHBondContact O-N 2.97Å; V533-K536 WeakPolarHBondContact O-CA 3.39Å; V533-K536 PolarHBondContact O-N 3.1Å; K534-K536 PolarHBondContact O-N 3.09Å
537	V	90.8	Very high	94.2	Very high	15 Å²	15	69 Å²	69	9%	0.091	34%	0.341	C	S	.	.			trans	-53.5	134.6	171.5	171.8	0	0	0	0	108.5	I429 W440 L532 M535 D539 F540	I429-V537 HydrophobicContact CG2-CG2 4.04Å; W440-V537 HydrophobicContact CD2-CG1 4.27Å; W440-V537 HydrophobicContact CG-CG1 3.88Å; W440-V537 VanDerWaalsContact NE1-CG1 3.33Å; L532-V537 HydrophobicContact CB-CB 4.49Å; L532-V537 HydrophobicContact CB-CG2 4.14Å; L532-V537 HydrophobicContact CD2-CG2 3.96Å; L532-V537 PolarHBondContact O-N 2.97Å; M535-V537 HydrophobicContact CB-CG2 4.14Å; M535-V537 PolarHBondContact O-N 3.07Å; V537-D539 PolarHBondContact O-N 3.14Å; V537-F540 HydrophobicContact CB-CB 4.22Å; V537-F540 HydrophobicContact CG1-CB 4.31Å; V537-F540 PolarHBondContact O-N 3.49Å; V537-F540 VanDerWaalsContact O-N 3.13Å
538	P	85.4	Confident	94.1	Very high	106 Å²	106	69.5 Å²	69.5	69%	0.688	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130.9	-174.5	-28.6	35.1	0	0	0	112.1	F540	P538-F540 PolarHBondContact O-N 3.12Å
539	D	83	Confident	94	Very high	126 Å²	126	69.7 Å²	69.7	67%	0.674	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	29.7	177.4	-50.7	-46.2	0	0	0	114.1	V537 A551 P552	V537-D539 PolarHBondContact O-N 3.14Å; D539-A551 WeakPolarHBondContact O-CA 3.32Å; D539-A551 WeakPolarHBondContact O-CB 3.25Å; D539-P552 HydrophobicContact CB-CG 3.93Å; D539-P552 WeakPolarHBondContact O-CD 3.28Å
540	F	92.6	Very high	93.7	Very high	11 Å²	11	73.2 Å²	73.2	5%	0.048	36%	0.363	C	S	.	.			trans	-122.4	118.3	174.5	-163.7	-85.9	0	0	0	110.9	W440 A444 G529 L532 V533 V537 P538 F549 A551	W440-F540 HydrophobicContact CB-CD2 3.71Å; W440-F540 HydrophobicContact CB-CE2 4.22Å; W440-F540 VanDerWaalsContact O-CE2 3.26Å; W440-F540 WeakPolarHBondContact O-CE2 3.46Å; A444-F540 HydrophobicContact CB-CE2 3.78Å; A444-F540 HydrophobicContact CB-CZ 4.37Å; G529-F540 WeakPolarHBondContact O-CE1 3.2Å; L532-F540 HydrophobicContact CB-CD1 3.79Å; L532-F540 HydrophobicContact CB-CE1 3.84Å; L532-F540 HydrophobicContact CB-CG 4.43Å; L532-F540 HydrophobicContact CB-CZ 4.49Å; L532-F540 HydrophobicContact CD1-CE1 4.3Å; L532-F540 HydrophobicContact CD1-CE2 4.37Å; L532-F540 HydrophobicContact CD1-CZ 4.13Å; V533-F540 HydrophobicContact CG2-CD1 3.64Å; V533-F540 HydrophobicContact CG2-CE1 3.72Å; V537-F540 HydrophobicContact CB-CB 4.22Å; V537-F540 HydrophobicContact CG1-CB 4.31Å; V537-F540 PolarHBondContact O-N 3.49Å; V537-F540 VanDerWaalsContact O-N 3.13Å; P538-F540 PolarHBondContact O-N 3.12Å; F540-F549 AromaticContact CE1-CD1 3.51Å; F540-F549 HydrophobicContact CE1-CD1 3.51Å; F540-F549 HydrophobicContact CE1-CE1 4.17Å; F540-F549 HydrophobicContact CE1-CG 4.32Å; F540-F549 HydrophobicContact CZ-CB 4.05Å; F540-F549 AromaticContact CZ-CD1 3.66Å; F540-F549 HydrophobicContact CZ-CD1 3.66Å; F540-F549 HydrophobicContact CZ-CE1 4.5Å; F540-F549 HydrophobicContact CZ-CG 4.04Å; F540-A551 HydrophobicContact CD2-CB 3.78Å; F540-A551 HydrophobicContact CE2-CB 4.37Å
541	S	95.3	Very high	92.9	Very high	53 Å²	53	73.2 Å²	73.2	37%	0.371	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	173.5	-178.3	56.3	0	0	0	0	111.5	I550	S541-I550 PolarHBondContact N-O 3.39Å; S541-I550 PolarHBondContact O-N 3.43Å; S541-I550 PolarHBondContact OG-O 2.9Å
542	Y	96.8	Very high	91.3	Very high	49 Å²	49	76.1 Å²	76.1	19%	0.192	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.9	176.5	-175.6	-104	0	0	0	109.9	H530 E544 Q547 S548 F549	H530-Y542 AromaticContact CE1-CD1 3.78Å; H530-Y542 AromaticContact CE1-CD2 3.74Å; H530-Y542 AromaticContact CE1-CE1 3.69Å; H530-Y542 AromaticContact CE1-CE2 3.67Å; H530-Y542 AromaticContact CE1-CG 3.79Å; H530-Y542 AromaticContact CE1-CZ 3.63Å; Y542-E544 HydrophobicContact CD1-CG 4.05Å; Y542-E544 HydrophobicContact CE1-CG 4.26Å; Y542-Q547 VanDerWaalsContact OH-CA 3.27Å; Y542-Q547 WeakPolarHBondContact OH-CA 3.37Å; Y542-Q547 WeakPolarHBondContact OH-CB 3.19Å; Y542-S548 WeakPolarHBondContact CD2-O 3.4Å; Y542-F549 AromaticContact CD2-CD1 3.66Å; Y542-F549 HydrophobicContact CD2-CD1 3.66Å; Y542-F549 HydrophobicContact CD2-CD2 4.13Å; Y542-F549 AromaticContact CD2-CE1 3.54Å; Y542-F549 HydrophobicContact CD2-CE1 3.54Å; Y542-F549 AromaticContact CD2-CE2 3.99Å; Y542-F549 HydrophobicContact CD2-CE2 3.99Å; Y542-F549 AromaticContact CD2-CG 3.96Å; Y542-F549 HydrophobicContact CD2-CG 3.96Å; Y542-F549 AromaticContact CD2-CZ 3.73Å; Y542-F549 HydrophobicContact CD2-CZ 3.73Å; Y542-F549 HydrophobicContact CE2-CD1 4.48Å; Y542-F549 HydrophobicContact CE2-CD2 4.23Å; Y542-F549 HydrophobicContact CE2-CE1 4.18Å; Y542-F549 AromaticContact CE2-CE2 3.87Å; Y542-F549 HydrophobicContact CE2-CE2 3.87Å; Y542-F549 AromaticContact CE2-CZ 3.87Å; Y542-F549 HydrophobicContact CE2-CZ 3.87Å; Y542-F549 HydrophobicContact CG-CD1 4.5Å; Y542-F549 HydrophobicContact CG-CE1 4.34Å
543	D	95.7	Very high	89.3	Confident	35 Å²	35	78.6 Å²	78.6	19%	0.187	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.5	171.2	-170.7	-23.4	0	0	0	108.8	E545 Q546 Q547 S548 I550	D543-E545 VanDerWaalsContact C-N 3.3Å; D543-E545 PolarHBondContact O-N 3.15Å; D543-E545 WeakPolarHBondContact OD1-CB 2.96Å; D543-E545 PolarHBondContact OD1-N 3Å; D543-Q546 HydrophobicContact CB-CB 4.22Å; D543-Q546 PolarHBondContact OD1-N 3.25Å; D543-Q546 VanDerWaalsContact OD1-N 3.15Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.03Å; D543-Q547 VanDerWaalsContact O-CA 3.28Å; D543-Q547 WeakPolarHBondContact O-CA 3.47Å; D543-Q547 PolarHBondContact O-N 3.35Å; D543-S548 PolarHBondContact N-O 2.93Å; D543-S548 PolarHBondContact O-N 3.34Å; D543-S548 VanDerWaalsContact O-N 3.11Å; D543-I550 HydrophobicContact CB-CD1 3.67Å; D543-I550 HydrophobicContact CB-CG1 4.1Å
544	E	94	Very high	87.4	Confident	165 Å²	165	81.5 Å²	81.5	77%	0.771	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.9	178.4	-67.3	-175.5	-178.5	0	0	112.6	Y542	Y542-E544 HydrophobicContact CD1-CG 4.05Å; Y542-E544 HydrophobicContact CE1-CG 4.26Å
545	E	93.5	Very high	85.1	Confident	183 Å²	183	79.5 Å²	79.5	86%	0.855	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-41.7	-178.3	-173.6	177.4	-179.1	0	0	110.9	D543	D543-E545 VanDerWaalsContact C-N 3.3Å; D543-E545 PolarHBondContact O-N 3.15Å; D543-E545 WeakPolarHBondContact OD1-CB 2.96Å; D543-E545 PolarHBondContact OD1-N 3Å
546	Q	92.6	Very high	82.9	Confident	140 Å²	140	84.7 Å²	84.7	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.5	177.7	-62.5	-173.3	2.3	0	0	113.7	D543 S548	D543-Q546 HydrophobicContact CB-CB 4.22Å; D543-Q546 PolarHBondContact OD1-N 3.25Å; D543-Q546 VanDerWaalsContact OD1-N 3.15Å; D543-Q546 WeakPolarHBondContact OD2-CG 3.03Å; Q546-S548 VanDerWaalsContact C-N 3.26Å; Q546-S548 PolarHBondContact O-N 2.88Å
547	Q	95.7	Very high	81	Confident	40 Å²	40	78.6 Å²	78.6	19%	0.187	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	48.2	-168.7	-63.9	-160.4	-43.3	0	0	113	T452 D454 Y542 D543	T452-Q547 HydrophobicContact CG2-CB 3.92Å; T452-Q547 PolarHBondContact OG1-OE1 3.25Å; D454-Q547 VanDerWaalsContact CB-OE1 3.3Å; D454-Q547 VanDerWaalsContact CG-CD 3.5Å; D454-Q547 VanDerWaalsContact CG-OE1 3.26Å; D454-Q547 PolarHBondContact OD1-NE2 3.5Å; D454-Q547 PolarHBondContact OD2-NE2 3.49Å; D454-Q547 PolarHBondContact OD2-OE1 3.29Å; Y542-Q547 VanDerWaalsContact OH-CA 3.27Å; Y542-Q547 WeakPolarHBondContact OH-CA 3.37Å; Y542-Q547 WeakPolarHBondContact OH-CB 3.19Å; D543-Q547 VanDerWaalsContact O-CA 3.28Å; D543-Q547 WeakPolarHBondContact O-CA 3.47Å; D543-Q547 PolarHBondContact O-N 3.35Å
548	S	95.4	Very high	79	Confident	19 Å²	19	78.1 Å²	78.1	13%	0.133	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.7	-174	73.8	0	0	0	0	113.1	N448 Y542 D543 Q546	N448-S548 WeakPolarHBondContact OD1-CA 3.34Å; Y542-S548 WeakPolarHBondContact CD2-O 3.4Å; D543-S548 PolarHBondContact N-O 2.93Å; D543-S548 PolarHBondContact O-N 3.34Å; D543-S548 VanDerWaalsContact O-N 3.11Å; Q546-S548 VanDerWaalsContact C-N 3.26Å; Q546-S548 PolarHBondContact O-N 2.88Å
549	F	96.7	Very high	77.2	Confident	7 Å²	7	76.4 Å²	76.4	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.9	172.3	-65	-82.5	0	0	0	109.9	A444 L447 N448 H530 V533 F540 Y542	A444-F549 HydrophobicContact CB-CB 3.77Å; L447-F549 HydrophobicContact CB-CD2 3.74Å; L447-F549 HydrophobicContact CB-CE2 4.09Å; L447-F549 HydrophobicContact CD1-CD2 3.97Å; L447-F549 HydrophobicContact CD1-CE2 4.07Å; L447-F549 HydrophobicContact CD1-CG 4.28Å; L447-F549 HydrophobicContact CD1-CZ 4.42Å; N448-F549 PolarHBondContact ND2-O 2.84Å; N448-F549 PolarHBondContact OD1-N 3.35Å; H530-F549 AromaticContact CE1-CZ 3.96Å; H530-F549 AromaticContact NE2-CZ 3.96Å; V533-F549 HydrophobicContact CG2-CD1 4.28Å; V533-F549 HydrophobicContact CG2-CE1 4.27Å; F540-F549 AromaticContact CE1-CD1 3.51Å; F540-F549 HydrophobicContact CE1-CD1 3.51Å; F540-F549 HydrophobicContact CE1-CE1 4.17Å; F540-F549 HydrophobicContact CE1-CG 4.32Å; F540-F549 HydrophobicContact CZ-CB 4.05Å; F540-F549 AromaticContact CZ-CD1 3.66Å; F540-F549 HydrophobicContact CZ-CD1 3.66Å; F540-F549 HydrophobicContact CZ-CE1 4.5Å; F540-F549 HydrophobicContact CZ-CG 4.04Å; Y542-F549 AromaticContact CD2-CD1 3.66Å; Y542-F549 HydrophobicContact CD2-CD1 3.66Å; Y542-F549 HydrophobicContact CD2-CD2 4.13Å; Y542-F549 AromaticContact CD2-CE1 3.54Å; Y542-F549 HydrophobicContact CD2-CE1 3.54Å; Y542-F549 AromaticContact CD2-CE2 3.99Å; Y542-F549 HydrophobicContact CD2-CE2 3.99Å; Y542-F549 AromaticContact CD2-CG 3.96Å; Y542-F549 HydrophobicContact CD2-CG 3.96Å; Y542-F549 AromaticContact CD2-CZ 3.73Å; Y542-F549 HydrophobicContact CD2-CZ 3.73Å; Y542-F549 HydrophobicContact CE2-CD1 4.48Å; Y542-F549 HydrophobicContact CE2-CD2 4.23Å; Y542-F549 HydrophobicContact CE2-CE1 4.18Å; Y542-F549 AromaticContact CE2-CE2 3.87Å; Y542-F549 HydrophobicContact CE2-CE2 3.87Å; Y542-F549 AromaticContact CE2-CZ 3.87Å; Y542-F549 HydrophobicContact CE2-CZ 3.87Å; Y542-F549 HydrophobicContact CG-CD1 4.5Å; Y542-F549 HydrophobicContact CG-CE1 4.34Å
550	I	91.3	Very high	75.6	Confident	74 Å²	74	78.3 Å²	78.3	38%	0.379	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.7	173.7	-58.7	171	0	0	0	108	S541 D543	S541-I550 PolarHBondContact N-O 3.39Å; S541-I550 PolarHBondContact O-N 3.43Å; S541-I550 PolarHBondContact OG-O 2.9Å; D543-I550 HydrophobicContact CB-CD1 3.67Å; D543-I550 HydrophobicContact CB-CG1 4.1Å
551	A	80.4	Confident	73.6	Confident	19 Å²	19	81 Å²	81	16%	0.157	41%	0.406	C	S	.	.			trans	-129.4	125.3	161.8	0	0	0	0	0	108.1	A444 D539 F540 F553	A444-A551 HydrophobicContact CB-CB 4.01Å; D539-A551 WeakPolarHBondContact O-CA 3.32Å; D539-A551 WeakPolarHBondContact O-CB 3.25Å; F540-A551 HydrophobicContact CD2-CB 3.78Å; F540-A551 HydrophobicContact CE2-CB 4.37Å; A551-F553 PolarHBondContact O-N 2.92Å
552	P	62.9	Low	71.4	Confident	91 Å²	91	79.5 Å²	79.5	59%	0.591	39%	0.394	S	S	*	.			trans	-58.7	86.9	171.6	-14.6	27.9	0	0	0	109.2	D539 N554	D539-P552 HydrophobicContact CB-CG 3.93Å; D539-P552 WeakPolarHBondContact O-CD 3.28Å; P552-N554 PolarHBondContact O-N 2.73Å
553	F	55.5	Low	69.1	Low	52 Å²	52	83.6 Å²	83.6	23%	0.228	41%	0.409	C	S	.	.			trans	-70.3	101.9	172.3	-170.8	-106.7	0	0	0	105.8	E442 A551 F555 A558	E442-F553 HydrophobicContact CG-CD2 4.49Å; E442-F553 HydrophobicContact CG-CE2 3.62Å; E442-F553 HydrophobicContact CG-CZ 4.22Å; A551-F553 PolarHBondContact O-N 2.92Å; F553-F555 HydrophobicContact CD1-CB 3.81Å; F553-F555 HydrophobicContact CD1-CD1 4.32Å; F553-F555 AromaticContact CD1-CD2 3.22Å; F553-F555 HydrophobicContact CD1-CD2 3.22Å; F553-F555 AromaticContact CD1-CE2 3.71Å; F553-F555 HydrophobicContact CD1-CE2 3.71Å; F553-F555 AromaticContact CD1-CG 3.53Å; F553-F555 HydrophobicContact CD1-CG 3.53Å; F553-F555 HydrophobicContact CD1-CZ 4.44Å; F553-F555 HydrophobicContact CE1-CB 4.02Å; F553-F555 AromaticContact CE1-CD1 3.8Å; F553-F555 HydrophobicContact CE1-CD1 3.8Å; F553-F555 AromaticContact CE1-CD2 3.47Å; F553-F555 HydrophobicContact CE1-CD2 3.47Å; F553-F555 VanDerWaalsContact CE1-CD2 3.47Å; F553-F555 HydrophobicContact CE1-CE1 4.04Å; F553-F555 AromaticContact CE1-CE2 3.68Å; F553-F555 HydrophobicContact CE1-CE2 3.68Å; F553-F555 AromaticContact CE1-CG 3.48Å; F553-F555 HydrophobicContact CE1-CG 3.48Å; F553-F555 VanDerWaalsContact CE1-CG 3.48Å; F553-F555 AromaticContact CE1-CZ 3.96Å; F553-F555 HydrophobicContact CE1-CZ 3.96Å; F553-F555 HydrophobicContact CG-CD2 4.48Å; F553-F555 PolarHBondContact O-N 3.05Å; F553-A558 HydrophobicContact CD2-CB 4.44Å; F553-A558 HydrophobicContact CE1-CB 4.34Å; F553-A558 HydrophobicContact CE2-CB 3.67Å; F553-A558 HydrophobicContact CZ-CB 3.64Å
554	N	55.9	Low	67	Low	106 Å²	106	83.7 Å²	83.7	57%	0.567	41%	0.414	S	S	*	.			trans	-70.7	77.5	170.5	-166.4	-16.8	0	0	0	107.4	P552 K556 A557 A558	P552-N554 PolarHBondContact O-N 2.73Å; N554-K556 PolarHBondContact O-N 3.1Å; N554-A557 HydrophobicContact CB-CB 4.13Å; N554-A557 PolarHBondContact O-N 3.14Å; N554-A558 PolarHBondContact O-N 3.08Å
555	F	48.2	Very low	64.9	Low	131 Å²	131	78.9 Å²	78.9	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-48.8	-36.8	-172.7	-137.2	-68.6	0	0	0	109.9	F553 Q559	F553-F555 HydrophobicContact CD1-CB 3.81Å; F553-F555 HydrophobicContact CD1-CD1 4.32Å; F553-F555 AromaticContact CD1-CD2 3.22Å; F553-F555 HydrophobicContact CD1-CD2 3.22Å; F553-F555 AromaticContact CD1-CE2 3.71Å; F553-F555 HydrophobicContact CD1-CE2 3.71Å; F553-F555 AromaticContact CD1-CG 3.53Å; F553-F555 HydrophobicContact CD1-CG 3.53Å; F553-F555 HydrophobicContact CD1-CZ 4.44Å; F553-F555 HydrophobicContact CE1-CB 4.02Å; F553-F555 AromaticContact CE1-CD1 3.8Å; F553-F555 HydrophobicContact CE1-CD1 3.8Å; F553-F555 AromaticContact CE1-CD2 3.47Å; F553-F555 HydrophobicContact CE1-CD2 3.47Å; F553-F555 VanDerWaalsContact CE1-CD2 3.47Å; F553-F555 HydrophobicContact CE1-CE1 4.04Å; F553-F555 AromaticContact CE1-CE2 3.68Å; F553-F555 HydrophobicContact CE1-CE2 3.68Å; F553-F555 AromaticContact CE1-CG 3.48Å; F553-F555 HydrophobicContact CE1-CG 3.48Å; F553-F555 VanDerWaalsContact CE1-CG 3.48Å; F553-F555 AromaticContact CE1-CZ 3.96Å; F553-F555 HydrophobicContact CE1-CZ 3.96Å; F553-F555 HydrophobicContact CG-CD2 4.48Å; F553-F555 PolarHBondContact O-N 3.05Å; F555-Q559 HydrophobicContact CD1-CB 4.47Å; F555-Q559 WeakPolarHBondContact O-CA 3.47Å; F555-Q559 WeakPolarHBondContact O-CB 3.44Å; F555-Q559 PolarHBondContact O-N 3.38Å
556	K	47.4	Very low	62.6	Low	175 Å²	175	74.8 Å²	74.8	76%	0.761	37%	0.37	S	S	*	.	H	α-helix	trans	-70	-42.9	178.4	-71.4	-178.7	179.1	175	0	113.6	N554 K560	N554-K556 PolarHBondContact O-N 3.1Å; K556-K560 WeakPolarHBondContact O-CB 3.34Å; K556-K560 PolarHBondContact O-N 2.94Å
557	A	51.6	Low	60.5	Low	53 Å²	53	73.9 Å²	73.9	44%	0.438	37%	0.366	S	S	.	.	H	α-helix	trans	-74.3	-47.8	-178.8	0	0	0	0	0	111.4	N554 K560 L561	N554-A557 HydrophobicContact CB-CB 4.13Å; N554-A557 PolarHBondContact O-N 3.14Å; A557-K560 PolarHBondContact O-N 3.04Å; A557-L561 WeakPolarHBondContact O-CB 3.4Å; A557-L561 PolarHBondContact O-N 3.21Å
558	A	50	Low	58.3	Low	5 Å²	5	76.8 Å²	76.8	4%	0.041	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-47.8	176.2	0	0	0	0	0	110.8	F553 N554 K560 L561 N562	F553-A558 HydrophobicContact CD2-CB 4.44Å; F553-A558 HydrophobicContact CE1-CB 4.34Å; F553-A558 HydrophobicContact CE2-CB 3.67Å; F553-A558 HydrophobicContact CZ-CB 3.64Å; N554-A558 PolarHBondContact O-N 3.08Å; A558-K560 VanDerWaalsContact C-N 3.29Å; A558-K560 PolarHBondContact O-N 3.34Å; A558-L561 PolarHBondContact O-N 3.18Å; A558-N562 VanDerWaalsContact O-CB 3.29Å; A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 PolarHBondContact O-N 3.07Å
559	Q	47	Very low	56	Low	71 Å²	71	76.8 Å²	76.8	33%	0.332	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-32.6	175.5	-170.5	-176	72	0	0	111.9	F555 R563	F555-Q559 HydrophobicContact CD1-CB 4.47Å; F555-Q559 WeakPolarHBondContact O-CA 3.47Å; F555-Q559 WeakPolarHBondContact O-CB 3.44Å; F555-Q559 PolarHBondContact O-N 3.38Å; Q559-R563 VanDerWaalsContact CD-NH2 3.31Å; Q559-R563 HydrophobicContact CG-CG 4.07Å; Q559-R563 WeakPolarHBondContact O-CA 3.22Å; Q559-R563 WeakPolarHBondContact O-CB 3.44Å; Q559-R563 WeakPolarHBondContact O-CD 3.31Å; Q559-R563 WeakPolarHBondContact O-CG 3.44Å; Q559-R563 PolarHBondContact O-N 3.2Å; Q559-R563 VanDerWaalsContact OE1-CZ 3.24Å
560	K	49.6	Very low	53.6	Low	166 Å²	166	81.5 Å²	81.5	72%	0.722	41%	0.405	S	S	*	.	H	α-helix	trans	-73.1	-38.9	176.4	-165.7	178.9	-174.6	-175	0	111.8	K556 A557 A558 A564	K556-K560 WeakPolarHBondContact O-CB 3.34Å; K556-K560 PolarHBondContact O-N 2.94Å; A557-K560 PolarHBondContact O-N 3.04Å; A558-K560 VanDerWaalsContact C-N 3.29Å; A558-K560 PolarHBondContact O-N 3.34Å; K560-A564 WeakPolarHBondContact O-CB 3.32Å; K560-A564 PolarHBondContact O-N 3.5Å
561	L	49.4	Very low	51.5	Low	67 Å²	67	84.8 Å²	84.8	35%	0.351	42%	0.416	S	S	.	.	H	α-helix	trans	-73.5	-46.6	176.7	-173.8	66.8	0	0	0	111.7	P437 A557 A558 A564 K565	P437-L561 HydrophobicContact CB-CD2 4.11Å; P437-L561 HydrophobicContact CG-CD2 3.8Å; A557-L561 WeakPolarHBondContact O-CB 3.4Å; A557-L561 PolarHBondContact O-N 3.21Å; A558-L561 PolarHBondContact O-N 3.18Å; L561-A564 CarbonylContact O-C 3.12Å; L561-A564 WeakPolarHBondContact O-CA 3.44Å; L561-A564 WeakPolarHBondContact O-CB 3.2Å; L561-A564 PolarHBondContact O-N 3.02Å; L561-A564 VanDerWaalsContact O-N 3.07Å; L561-K565 PolarHBondContact O-N 3.17Å
562	N	49	Very low	49.9	Very low	21 Å²	21	88.8 Å²	88.8	11%	0.112	43%	0.427	C	S	.	.	H	α-helix	trans	-67.1	-36.4	172.8	-71.9	1.4	0	0	0	110.8	E310 E442 A558 A564 K566	E310-N562 PolarHBondContact OE1-ND2 3.43Å; E442-N562 PolarHBondContact OE1-ND2 3.2Å; A558-N562 VanDerWaalsContact O-CB 3.29Å; A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 PolarHBondContact O-N 3.07Å; N562-A564 VanDerWaalsContact C-N 3.31Å; N562-A564 PolarHBondContact O-N 2.9Å; N562-K566 WeakPolarHBondContact O-CA 3.47Å; N562-K566 WeakPolarHBondContact O-CB 3.31Å; N562-K566 PolarHBondContact O-N 3.19Å
563	R	49.4	Very low	49	Very low	136 Å²	136	86.6 Å²	86.6	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-36.3	167.6	-79.2	173.8	179.7	171.8	2.9	111.1	Q559 K566 Q567	Q559-R563 VanDerWaalsContact CD-NH2 3.31Å; Q559-R563 HydrophobicContact CG-CG 4.07Å; Q559-R563 WeakPolarHBondContact O-CA 3.22Å; Q559-R563 WeakPolarHBondContact O-CB 3.44Å; Q559-R563 WeakPolarHBondContact O-CD 3.31Å; Q559-R563 WeakPolarHBondContact O-CG 3.44Å; Q559-R563 PolarHBondContact O-N 3.2Å; Q559-R563 VanDerWaalsContact OE1-CZ 3.24Å; R563-K566 CarbonylContact O-C 3.48Å; R563-Q567 VanDerWaalsContact O-CA 3.27Å; R563-Q567 WeakPolarHBondContact O-CA 3.3Å; R563-Q567 WeakPolarHBondContact O-CB 3.4Å; R563-Q567 WeakPolarHBondContact O-CG 3.47Å; R563-Q567 PolarHBondContact O-N 3.17Å
564	A	51.9	Low	48.5	Very low	36 Å²	36	85.5 Å²	85.5	30%	0.298	41%	0.41	S	S	.	.	H	α-helix	trans	-70.9	-42.2	177.4	0	0	0	0	0	111.8	K560 L561 N562 Q567 N568	K560-A564 WeakPolarHBondContact O-CB 3.32Å; K560-A564 PolarHBondContact O-N 3.5Å; L561-A564 CarbonylContact O-C 3.12Å; L561-A564 WeakPolarHBondContact O-CA 3.44Å; L561-A564 WeakPolarHBondContact O-CB 3.2Å; L561-A564 PolarHBondContact O-N 3.02Å; L561-A564 VanDerWaalsContact O-N 3.07Å; N562-A564 VanDerWaalsContact C-N 3.31Å; N562-A564 PolarHBondContact O-N 2.9Å; A564-Q567 PolarHBondContact O-N 3.23Å; A564-N568 VanDerWaalsContact O-CB 3.26Å; A564-N568 WeakPolarHBondContact O-CB 3.31Å; A564-N568 PolarHBondContact O-N 2.94Å
565	K	50.5	Low	48.1	Very low	64 Å²	64	87 Å²	87	28%	0.278	41%	0.413	S	S	.	.	H	α-helix	trans	-60.5	-56.7	170.3	-75	-175.2	177.9	-176	0	109.2	L561 Q567 N568 L569	L561-K565 PolarHBondContact O-N 3.17Å; K565-Q567 PolarHBondContact O-N 2.98Å; K565-N568 PolarHBondContact O-N 3.31Å; K565-L569 WeakPolarHBondContact O-CA 3.38Å; K565-L569 WeakPolarHBondContact O-CB 3.34Å; K565-L569 PolarHBondContact O-N 3.41Å
566	K	44.9	Very low	48	Very low	98 Å²	98	84.9 Å²	84.9	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-24.1	174	-167	173.5	-172.7	164.3	0	113.3	N562 R563 M570	N562-K566 WeakPolarHBondContact O-CA 3.47Å; N562-K566 WeakPolarHBondContact O-CB 3.31Å; N562-K566 PolarHBondContact O-N 3.19Å; R563-K566 CarbonylContact O-C 3.48Å; K566-M570 HydrophobicContact CD-CE 4.42Å; K566-M570 HydrophobicContact CG-CE 4.18Å; K566-M570 HydrophobicContact CG-CG 4.34Å; K566-M570 HydrophobicContact CG-SD 4.27Å; K566-M570 VanDerWaalsContact O-CA 3.26Å; K566-M570 WeakPolarHBondContact O-CA 3.35Å; K566-M570 WeakPolarHBondContact O-CB 3.5Å; K566-M570 WeakPolarHBondContact O-CG 3.44Å; K566-M570 PolarHBondContact O-N 3.07Å
567	Q	46.8	Very low	47.8	Very low	121 Å²	121	78.8 Å²	78.8	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-87.4	-39	175.9	-85.9	176.1	-9.1	0	0	111.9	R563 A564 K565 L569 M570 K571	R563-Q567 VanDerWaalsContact O-CA 3.27Å; R563-Q567 WeakPolarHBondContact O-CA 3.3Å; R563-Q567 WeakPolarHBondContact O-CB 3.4Å; R563-Q567 WeakPolarHBondContact O-CG 3.47Å; R563-Q567 PolarHBondContact O-N 3.17Å; A564-Q567 PolarHBondContact O-N 3.23Å; K565-Q567 PolarHBondContact O-N 2.98Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; Q567-M570 CarbonylContact O-C 3.59Å; Q567-M570 PolarHBondContact O-N 3.24Å; Q567-K571 WeakPolarHBondContact O-CA 3.44Å; Q567-K571 WeakPolarHBondContact O-CB 3.44Å; Q567-K571 WeakPolarHBondContact O-CG 3.32Å; Q567-K571 PolarHBondContact O-N 3.27Å
568	N	51.3	Low	47.2	Very low	100 Å²	100	82.9 Å²	82.9	54%	0.535	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-39.4	171.3	-80.8	-21.5	0	0	0	109.9	A564 K565 K571 R572	A564-N568 VanDerWaalsContact O-CB 3.26Å; A564-N568 WeakPolarHBondContact O-CB 3.31Å; A564-N568 PolarHBondContact O-N 2.94Å; K565-N568 PolarHBondContact O-N 3.31Å; N568-K571 WeakPolarHBondContact O-CB 3.43Å; N568-K571 PolarHBondContact O-N 2.77Å; N568-R572 WeakPolarHBondContact O-CG 3.31Å; N568-R572 PolarHBondContact O-N 3.19Å
569	L	46.9	Very low	46.9	Very low	19 Å²	19	88.7 Å²	88.7	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-70.4	-46.3	171.2	-155	97.3	0	0	0	110.4	C245 Q248 K565 Q567 K571 R572 M573	C245-L569 HydrophobicContact CB-CD1 4.18Å; C245-L569 HydrophobicContact CB-CG 4.47Å; C245-L569 WeakPolarHBondContact SG-CD1 3.45Å; Q248-L569 HydrophobicContact CB-CD2 4.36Å; K565-L569 WeakPolarHBondContact O-CA 3.38Å; K565-L569 WeakPolarHBondContact O-CB 3.34Å; K565-L569 PolarHBondContact O-N 3.41Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; L569-K571 PolarHBondContact O-N 3.38Å; L569-R572 CarbonylContact O-C 3.58Å; L569-R572 PolarHBondContact O-N 2.7Å; L569-M573 HydrophobicContact CD2-CG 4.38Å; L569-M573 HydrophobicContact CD2-SD 4.11Å; L569-M573 HydrophobicContact CG-CG 4.26Å; L569-M573 WeakPolarHBondContact O-CA 3.47Å; L569-M573 WeakPolarHBondContact O-CB 3.39Å; L569-M573 VanDerWaalsContact O-CG 3.3Å; L569-M573 WeakPolarHBondContact O-CG 3.43Å; L569-M573 PolarHBondContact O-N 3.2Å
570	M	46	Very low	46.6	Very low	107 Å²	107	86.7 Å²	86.7	53%	0.527	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-25.7	171.1	-84.7	174.1	170.7	0	0	111.2	K566 Q567 A574	K566-M570 HydrophobicContact CD-CE 4.42Å; K566-M570 HydrophobicContact CG-CE 4.18Å; K566-M570 HydrophobicContact CG-CG 4.34Å; K566-M570 HydrophobicContact CG-SD 4.27Å; K566-M570 VanDerWaalsContact O-CA 3.26Å; K566-M570 WeakPolarHBondContact O-CA 3.35Å; K566-M570 WeakPolarHBondContact O-CB 3.5Å; K566-M570 WeakPolarHBondContact O-CG 3.44Å; K566-M570 PolarHBondContact O-N 3.07Å; Q567-M570 CarbonylContact O-C 3.59Å; Q567-M570 PolarHBondContact O-N 3.24Å; M570-A574 WeakPolarHBondContact O-CA 3.26Å; M570-A574 WeakPolarHBondContact O-CB 3.23Å; M570-A574 PolarHBondContact O-N 2.99Å
571	K	46.6	Very low	45.7	Very low	142 Å²	142	84 Å²	84	62%	0.617	41%	0.406	S	S	*	.	H	α-helix	trans	-74.1	-38.1	171.2	-91.4	-178.7	176.7	179	0	111.4	Q567 N568 L569 A574 Q575	Q567-K571 WeakPolarHBondContact O-CA 3.44Å; Q567-K571 WeakPolarHBondContact O-CB 3.44Å; Q567-K571 WeakPolarHBondContact O-CG 3.32Å; Q567-K571 PolarHBondContact O-N 3.27Å; N568-K571 WeakPolarHBondContact O-CB 3.43Å; N568-K571 PolarHBondContact O-N 2.77Å; L569-K571 PolarHBondContact O-N 3.38Å; K571-A574 CarbonylContact O-C 3.32Å; K571-A574 PolarHBondContact O-N 3.47Å; K571-Q575 VanDerWaalsContact O-CG 3.23Å; K571-Q575 WeakPolarHBondContact O-CG 3.44Å; K571-Q575 PolarHBondContact O-N 3.11Å
572	R	48.2	Very low	44.9	Very low	104 Å²	104	84.8 Å²	84.8	39%	0.392	42%	0.416	S	S	.	.	H	α-helix	trans	-77.9	-46	176.9	-77.4	-174.6	-178.5	177.8	8.3	112.4	D241 N568 L569 A574 Q575 L576	D241-R572 IonicContact OD2-CZ 3.42Å; D241-R572 IonicContact OD2-NH1 2.68Å; D241-R572 PolarHBondContact OD2-NH1 3.45Å; D241-R572 IonicContact OD2-NH2 3.27Å; D241-R572 PolarHBondContact OD2-NH2 3.3Å; N568-R572 WeakPolarHBondContact O-CG 3.31Å; N568-R572 PolarHBondContact O-N 3.19Å; L569-R572 CarbonylContact O-C 3.58Å; L569-R572 PolarHBondContact O-N 2.7Å; R572-A574 VanDerWaalsContact C-N 3.28Å; R572-A574 PolarHBondContact O-N 3.34Å; R572-Q575 CarbonylContact O-C 3.57Å; R572-Q575 WeakPolarHBondContact O-CA 3.45Å; R572-Q575 WeakPolarHBondContact O-CB 3.48Å; R572-Q575 PolarHBondContact O-N 3.3Å; R572-L576 PolarHBondContact O-N 2.86Å
573	M	43.6	Very low	44.2	Very low	44 Å²	44	87.6 Å²	87.6	22%	0.217	44%	0.442	C	S	.	.	H	α-helix	trans	-53.9	-44.5	160.9	-67.8	-166.8	83.3	0	0	109.7	A249 L569 Q575 L576 K577	A249-M573 HydrophobicContact CB-CE 3.89Å; L569-M573 HydrophobicContact CD2-CG 4.38Å; L569-M573 HydrophobicContact CD2-SD 4.11Å; L569-M573 HydrophobicContact CG-CG 4.26Å; L569-M573 WeakPolarHBondContact O-CA 3.47Å; L569-M573 WeakPolarHBondContact O-CB 3.39Å; L569-M573 VanDerWaalsContact O-CG 3.3Å; L569-M573 WeakPolarHBondContact O-CG 3.43Å; L569-M573 PolarHBondContact O-N 3.2Å; M573-Q575 VanDerWaalsContact C-N 3.26Å; M573-Q575 PolarHBondContact O-N 3.48Å; M573-L576 CarbonylContact O-C 3.6Å; M573-L576 VanDerWaalsContact O-CA 3.32Å; M573-L576 WeakPolarHBondContact O-CA 3.37Å; M573-L576 WeakPolarHBondContact O-CB 3.44Å; M573-L576 PolarHBondContact O-N 3.07Å; M573-K577 VanDerWaalsContact O-CA 3.24Å; M573-K577 WeakPolarHBondContact O-CA 3.24Å; M573-K577 WeakPolarHBondContact O-CB 2.99Å; M573-K577 PolarHBondContact O-N 3.42Å
574	A	44.4	Very low	43.7	Very low	30 Å²	30	82.2 Å²	82.2	25%	0.248	42%	0.422	C	S	.	.	H	α-helix	trans	-70.1	-16	170.5	0	0	0	0	0	112.6	M570 K571 R572 L578	M570-A574 WeakPolarHBondContact O-CA 3.26Å; M570-A574 WeakPolarHBondContact O-CB 3.23Å; M570-A574 PolarHBondContact O-N 2.99Å; K571-A574 CarbonylContact O-C 3.32Å; K571-A574 PolarHBondContact O-N 3.47Å; R572-A574 VanDerWaalsContact C-N 3.28Å; R572-A574 PolarHBondContact O-N 3.34Å; A574-L578 HydrophobicContact CB-CD1 4.11Å; A574-L578 HydrophobicContact CB-CG 4.2Å; A574-L578 VanDerWaalsContact O-CA 3.23Å; A574-L578 WeakPolarHBondContact O-CA 3.38Å; A574-L578 WeakPolarHBondContact O-CB 3.34Å; A574-L578 WeakPolarHBondContact O-CD1 3.3Å; A574-L578 WeakPolarHBondContact O-CG 3.39Å; A574-L578 PolarHBondContact O-N 3.02Å
575	Q	47.8	Very low	42.7	Very low	136 Å²	136	83.4 Å²	83.4	64%	0.636	42%	0.419	S	S	*	.	H	α-helix	trans	-78.3	-31.7	165.9	-77.9	164	-12.6	0	0	110.3	K571 R572 M573	K571-Q575 VanDerWaalsContact O-CG 3.23Å; K571-Q575 WeakPolarHBondContact O-CG 3.44Å; K571-Q575 PolarHBondContact O-N 3.11Å; R572-Q575 CarbonylContact O-C 3.57Å; R572-Q575 WeakPolarHBondContact O-CA 3.45Å; R572-Q575 WeakPolarHBondContact O-CB 3.48Å; R572-Q575 PolarHBondContact O-N 3.3Å; M573-Q575 VanDerWaalsContact C-N 3.26Å; M573-Q575 PolarHBondContact O-N 3.48Å
576	L	45.7	Very low	41.9	Very low	88 Å²	88	91.4 Å²	91.4	46%	0.461	45%	0.447	S	S	.	.	H	α-helix	trans	-76.3	-22.1	167.5	-77.6	149.4	0	0	0	113.2	R572 M573	R572-L576 PolarHBondContact O-N 2.86Å; M573-L576 CarbonylContact O-C 3.6Å; M573-L576 VanDerWaalsContact O-CA 3.32Å; M573-L576 WeakPolarHBondContact O-CA 3.37Å; M573-L576 WeakPolarHBondContact O-CB 3.44Å; M573-L576 PolarHBondContact O-N 3.07Å
577	K	42.6	Very low	41.6	Very low	47 Å²	47	94 Å²	94	20%	0.204	46%	0.455	C	S	.	.	H	α-helix	trans	-120.1	-14.9	-166.9	-167.3	171.9	-162.9	175.7	0	112.6	M573 K579 T580 C582	M573-K577 VanDerWaalsContact O-CA 3.24Å; M573-K577 WeakPolarHBondContact O-CA 3.24Å; M573-K577 WeakPolarHBondContact O-CB 2.99Å; M573-K577 PolarHBondContact O-N 3.42Å; K577-K579 PolarHBondContact O-N 2.84Å; K577-T580 WeakPolarHBondContact CG-O 3.45Å; K577-T580 CarbonylContact O-C 3.51Å; K577-T580 WeakPolarHBondContact O-CA 3.44Å; K577-T580 PolarHBondContact O-N 3.31Å; K577-C582 WeakPolarHBondContact CD-SG 3.47Å; K577-C582 WeakPolarHBondContact CE-SG 3.36Å
578	L	40.8	Very low	41.2	Very low	138 Å²	138	88.6 Å²	88.6	72%	0.723	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.7	154	-75.2	156.9	0	0	0	110	A574 T580	A574-L578 HydrophobicContact CB-CD1 4.11Å; A574-L578 HydrophobicContact CB-CG 4.2Å; A574-L578 VanDerWaalsContact O-CA 3.23Å; A574-L578 WeakPolarHBondContact O-CA 3.38Å; A574-L578 WeakPolarHBondContact O-CB 3.34Å; A574-L578 WeakPolarHBondContact O-CD1 3.3Å; A574-L578 WeakPolarHBondContact O-CG 3.39Å; A574-L578 PolarHBondContact O-N 3.02Å; L578-T580 VanDerWaalsContact C-N 3.3Å
579	K	43.2	Very low	40.6	Very low	127 Å²	127	88.7 Å²	88.7	55%	0.552	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.3	156.3	-75.8	-167.9	178.3	-174.4	0	113.8	N199 K577	N199-K579 WeakPolarHBondContact OD1-CD 3.35Å; N199-K579 PolarHBondContact OD1-NZ 3.5Å; K577-K579 PolarHBondContact O-N 2.84Å
580	T	39.3	Very low	40.8	Very low	30 Å²	30	95.7 Å²	95.7	18%	0.184	47%	0.466	C	S	.	.	S	Bend	trans	-177.9	131.6	162.9	30.8	0	0	0	0	115.6	A202 K577 L578	A202-T580 HydrophobicContact CB-CG2 4.09Å; A202-T580 WeakPolarHBondContact O-CG2 3.46Å; K577-T580 WeakPolarHBondContact CG-O 3.45Å; K577-T580 CarbonylContact O-C 3.51Å; K577-T580 WeakPolarHBondContact O-CA 3.44Å; K577-T580 PolarHBondContact O-N 3.31Å; L578-T580 VanDerWaalsContact C-N 3.3Å
581	D	31.3	Very low	41.9	Very low	109 Å²	109	93 Å²	93	58%	0.583	45%	0.45	S	S	*	.			trans	-64.6	145.8	-153.6	-73.6	-43.2	0	0	0	119.7	A583 R584	D581-A583 VanDerWaalsContact C-N 3.26Å; D581-A583 PolarHBondContact O-N 2.89Å; D581-R584 PolarHBondContact O-N 3.16Å
582	C	32.8	Very low	43.3	Very low	83 Å²	83	86.9 Å²	86.9	56%	0.561	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.7	172.7	-75.3	0	0	0	0	115	K577 R584 Y585	K577-C582 WeakPolarHBondContact CD-SG 3.47Å; K577-C582 WeakPolarHBondContact CE-SG 3.36Å; C582-R584 PolarHBondContact O-N 3.35Å; C582-Y585 PolarHBondContact O-N 2.67Å
583	A	34.1	Very low	44.6	Very low	81 Å²	81	82 Å²	82	67%	0.669	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	-178.8	0	0	0	0	0	112.5	D581 Y585	D581-A583 VanDerWaalsContact C-N 3.26Å; D581-A583 PolarHBondContact O-N 2.89Å; A583-Y585 PolarHBondContact O-N 3.06Å
584	R	38.4	Very low	46.7	Very low	23 Å²	23	80.3 Å²	80.3	9%	0.087	40%	0.398	C	S	.	.	H	α-helix	trans	-65	-38.4	-179.3	-127.3	176.4	-115.8	177.9	-0.1	112.6	A202 C203 D581 C582 R586 R587 I588 N746 D747	A202-R584 PolarHBondContact O-NH1 2.94Å; A202-R584 VanDerWaalsContact O-NH1 3.07Å; C203-R584 PolarHBondContact O-NH1 3.34Å; D581-R584 PolarHBondContact O-N 3.16Å; C582-R584 PolarHBondContact O-N 3.35Å; R584-R586 PolarHBondContact O-N 2.88Å; R584-R587 PolarHBondContact O-N 3Å; R584-I588 HydrophobicContact CB-CD1 4.13Å; R584-I588 HydrophobicContact CG-CD1 4.38Å; R584-I588 WeakPolarHBondContact O-CD1 3.16Å; R584-I588 WeakPolarHBondContact O-CG1 3.27Å; R584-I588 PolarHBondContact O-N 3.37Å; R584-I588 VanDerWaalsContact O-N 3.09Å; R584-N746 PolarHBondContact NH2-O 2.87Å; R584-D747 IonicContact NH2-OD1 3.41Å
585	Y	31.5	Very low	49	Very low	60 Å²	60	78.9 Å²	78.9	24%	0.235	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-33.5	-171.7	-83.6	-82.9	0	0	0	115.3	V206 I256 C582 A583 I588	V206-Y585 HydrophobicContact CB-CE2 4.14Å; V206-Y585 HydrophobicContact CG1-CE2 4.18Å; V206-Y585 WeakPolarHBondContact CG1-OH 3.49Å; V206-Y585 PolarHBondContact O-OH 3.48Å; I256-Y585 HydrophobicContact CD1-CD1 4.07Å; I256-Y585 HydrophobicContact CD1-CE1 4.28Å; C582-Y585 PolarHBondContact O-N 2.67Å; A583-Y585 PolarHBondContact O-N 3.06Å; Y585-I588 WeakPolarHBondContact O-CB 3.37Å; Y585-I588 PolarHBondContact O-N 3.39Å
586	R	33	Very low	51.3	Low	232 Å²	232	72.5 Å²	72.5	88%	0.875	36%	0.356	S	S	*	.	H	α-helix	trans	-73.7	-38.4	179	-81.8	-171.7	-167.7	162.8	3.2	112.5	R584 I588	R584-R586 PolarHBondContact O-N 2.88Å; R586-I588 PolarHBondContact O-N 3.09Å
587	R	38.7	Very low	53.7	Low	154 Å²	154	68.3 Å²	68.3	58%	0.581	33%	0.334	S	S	*	.	H	α-helix	trans	-71.3	-23.1	174.6	-71.4	-173.1	-170.7	169.2	1.7	112.3	R584 V589 E590	R584-R587 PolarHBondContact O-N 3Å; R587-V589 VanDerWaalsContact C-N 3.29Å; R587-V589 PolarHBondContact O-N 2.69Å; R587-E590 PolarHBondContact O-N 3.39Å
588	I	39.5	Very low	56.3	Low	6 Å²	6	66.7 Å²	66.7	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-27.4	180	-80	165.4	0	0	0	113.3	R258 R584 Y585 R586 E590 R591	R258-I588 PolarHBondContact NH1-O 3.22Å; R258-I588 VanDerWaalsContact NH1-O 3.12Å; R584-I588 HydrophobicContact CB-CD1 4.13Å; R584-I588 HydrophobicContact CG-CD1 4.38Å; R584-I588 WeakPolarHBondContact O-CD1 3.16Å; R584-I588 WeakPolarHBondContact O-CG1 3.27Å; R584-I588 PolarHBondContact O-N 3.37Å; R584-I588 VanDerWaalsContact O-N 3.09Å; Y585-I588 WeakPolarHBondContact O-CB 3.37Å; Y585-I588 PolarHBondContact O-N 3.39Å; R586-I588 PolarHBondContact O-N 3.09Å; I588-E590 PolarHBondContact O-N 2.85Å; I588-R591 PolarHBondContact O-N 2.8Å; I588-R591 VanDerWaalsContact O-N 3.15Å
589	V	37.8	Very low	58.9	Low	102 Å²	102	60.1 Å²	60.1	62%	0.618	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.7	179.5	-179.8	0	0	0	0	112	R587	R587-V589 VanDerWaalsContact C-N 3.29Å; R587-V589 PolarHBondContact O-N 2.69Å
590	E	52	Low	61.3	Low	167 Å²	167	54.6 Å²	54.6	78%	0.78	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.2	176.9	-68.5	176	177.4	0	0	113.2	R587 I588	R587-E590 PolarHBondContact O-N 3.39Å; I588-E590 PolarHBondContact O-N 2.85Å
591	R	68.5	Low	64	Low	51 Å²	51	53.1 Å²	53.1	19%	0.192	26%	0.262	C	S	.	.	S	Bend	trans	-81.4	135.5	178.2	-74.1	-171.6	175	-175.1	0.4	110.8	I588 M593 S742	I588-R591 PolarHBondContact O-N 2.8Å; I588-R591 VanDerWaalsContact O-N 3.15Å; R591-M593 PolarHBondContact O-N 2.91Å; R591-S742 VanDerWaalsContact NH2-CB 3.29Å; R591-S742 PolarHBondContact NH2-OG 3.42Å
592	P	76.8	Confident	67.2	Low	13 Å²	13	48 Å²	48	8%	0.084	24%	0.235	C	C	.	.			trans	-52.1	136.9	170.4	-24.8	34.6	0	0	0	111.5	L595 F618 T698 A700 V728 F735	P592-L595 HydrophobicContact CB-CD2 4.08Å; P592-F618 WeakPolarHBondContact O-CD1 3.41Å; P592-F618 VanDerWaalsContact O-CE1 3.3Å; P592-F618 WeakPolarHBondContact O-CE1 3.46Å; P592-T698 CarbonylContact C-O 3.57Å; P592-T698 VanDerWaalsContact CA-O 3.27Å; P592-T698 WeakPolarHBondContact CA-O 3.36Å; P592-T698 HydrophobicContact CB-CG2 4.26Å; P592-T698 HydrophobicContact CG-CG2 4.02Å; P592-A700 HydrophobicContact CB-CB 3.67Å; P592-A700 HydrophobicContact CG-CB 3.62Å; P592-V728 HydrophobicContact CG-CG2 4.43Å; P592-F735 HydrophobicContact CG-CE2 3.77Å; P592-F735 HydrophobicContact CG-CZ 4.19Å
593	M	74.5	Confident	70.2	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	-88	-42.6	170.8	-177.1	-167.3	-99.8	0	0	110.3	V261 R591 F618 V619 F697 T698	V261-M593 HydrophobicContact CG2-CE 3.29Å; V261-M593 HydrophobicContact CG2-CG 3.62Å; V261-M593 HydrophobicContact CG2-SD 3.41Å; V261-M593 WeakPolarHBondContact CG2-SD 3.4Å; R591-M593 PolarHBondContact O-N 2.91Å; M593-F618 WeakPolarHBondContact O-CA 3.36Å; M593-V619 PolarHBondContact O-N 3.16Å; M593-F697 HydrophobicContact CB-CB 3.91Å; M593-F697 HydrophobicContact CB-CG 4.13Å; M593-F697 HydrophobicContact CE-CD1 3.55Å; M593-F697 HydrophobicContact CE-CD2 3.73Å; M593-F697 HydrophobicContact CE-CE1 3.48Å; M593-F697 VanDerWaalsContact CE-CE1 3.48Å; M593-F697 HydrophobicContact CE-CE2 3.61Å; M593-F697 HydrophobicContact CE-CG 3.75Å; M593-F697 HydrophobicContact CE-CZ 3.59Å; M593-F697 HydrophobicContact CG-CG 4.45Å; M593-F697 HydrophobicContact SD-CB 4.17Å; M593-F697 HydrophobicContact SD-CD1 3.95Å; M593-F697 HydrophobicContact SD-CD2 3.3Å; M593-F697 WeakPolarHBondContact SD-CD2 3.43Å; M593-F697 HydrophobicContact SD-CE1 4.33Å; M593-F697 HydrophobicContact SD-CE2 3.69Å; M593-F697 HydrophobicContact SD-CG 3.5Å; M593-F697 WeakPolarHBondContact SD-CG 3.29Å; M593-F697 HydrophobicContact SD-CZ 4.26Å; M593-T698 PolarHBondContact N-O 3.38Å
594	F	87.7	Confident	73.2	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.6	-179.6	-61.2	-80.7	0	0	0	110.4	V619 V621 N694 F697 I699 A700	F594-V619 CarbonylContact C-O 3.48Å; F594-V619 VanDerWaalsContact CA-O 3.29Å; F594-V619 WeakPolarHBondContact CA-O 3.33Å; F594-V619 HydrophobicContact CD1-CB 3.71Å; F594-V619 HydrophobicContact CD1-CG1 4.02Å; F594-V619 HydrophobicContact CD1-CG2 4.5Å; F594-V619 HydrophobicContact CE1-CB 3.89Å; F594-V619 HydrophobicContact CE1-CG1 4.06Å; F594-V619 HydrophobicContact CE1-CG2 4.26Å; F594-V621 HydrophobicContact CD1-CG2 3.74Å; F594-V621 HydrophobicContact CE1-CG2 4.47Å; F594-N694 HydrophobicContact CE2-CB 4.46Å; F594-N694 WeakPolarHBondContact CZ-ND2 3.41Å; F594-F697 HydrophobicContact CD2-CB 4.48Å; F594-F697 HydrophobicContact CE2-CB 4.4Å; F594-F697 AromaticContact CE2-CD2 3.91Å; F594-F697 HydrophobicContact CE2-CD2 3.91Å; F594-I699 HydrophobicContact CB-CB 4.48Å; F594-I699 HydrophobicContact CB-CG1 4.21Å; F594-I699 HydrophobicContact CB-CG2 4.14Å; F594-I699 HydrophobicContact CD2-CG1 4.12Å; F594-A700 PolarHBondContact O-N 3.36Å
595	L	93.5	Very high	76	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.6	169.6	-56.7	-179.5	0	0	0	108.7	P592 P597 L612 F618 V619 I620 V621 A700 L702 F735	P592-L595 HydrophobicContact CB-CD2 4.08Å; L595-P597 WeakPolarHBondContact O-CD 3.41Å; L595-L612 HydrophobicContact CD1-CB 4.06Å; L595-L612 HydrophobicContact CD1-CD1 4.06Å; L595-L612 HydrophobicContact CD1-CD2 4.34Å; L595-L612 HydrophobicContact CD1-CG 4.38Å; L595-F618 HydrophobicContact CD1-CB 3.63Å; L595-F618 HydrophobicContact CD1-CD1 3.94Å; L595-F618 HydrophobicContact CD1-CD2 3.58Å; L595-F618 HydrophobicContact CD1-CE2 4.19Å; L595-F618 HydrophobicContact CD1-CG 3.43Å; L595-F618 VanDerWaalsContact CD1-CG 3.43Å; L595-F618 HydrophobicContact CD2-CD1 3.92Å; L595-F618 HydrophobicContact CD2-CE1 4.29Å; L595-F618 HydrophobicContact CD2-CG 4.27Å; L595-F618 HydrophobicContact CG-CB 3.7Å; L595-F618 HydrophobicContact CG-CD1 3.86Å; L595-F618 HydrophobicContact CG-CD2 4.37Å; L595-F618 HydrophobicContact CG-CG 3.72Å; L595-V619 PolarHBondContact N-O 3.24Å; L595-I620 HydrophobicContact CB-CG1 4.33Å; L595-I620 HydrophobicContact CD1-CG1 4.5Å; L595-I620 CarbonylContact O-C 3.58Å; L595-I620 WeakPolarHBondContact O-CA 3.26Å; L595-V621 PolarHBondContact O-N 3.19Å; L595-A700 WeakPolarHBondContact CA-O 3.35Å; L595-A700 HydrophobicContact CD2-CB 3.8Å; L595-L702 HydrophobicContact CB-CD1 3.88Å; L595-L702 HydrophobicContact CB-CG 4.42Å; L595-L702 HydrophobicContact CD1-CD1 4.04Å; L595-L702 HydrophobicContact CD2-CD1 4.11Å; L595-L702 HydrophobicContact CD2-CG 4.44Å; L595-L702 HydrophobicContact CG-CD1 4.21Å; L595-F735 HydrophobicContact CD1-CE1 3.94Å; L595-F735 HydrophobicContact CD2-CE1 3.63Å; L595-F735 HydrophobicContact CD2-CE2 4.42Å; L595-F735 HydrophobicContact CD2-CZ 3.58Å; L595-F735 HydrophobicContact CG-CE1 4.45Å
596	V	95.7	Very high	79.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	90.6	179.7	-173.1	0	0	0	0	108.1	V621 M681 L688 I699 A700 L701 L702	V596-V621 HydrophobicContact CG2-CB 4.36Å; V596-M681 HydrophobicContact CG1-CE 4.07Å; V596-L688 HydrophobicContact CG2-CD1 3.85Å; V596-I699 HydrophobicContact CG2-CG2 3.75Å; V596-A700 PolarHBondContact N-O 3.21Å; V596-L701 HydrophobicContact CB-CD1 4.12Å; V596-L701 HydrophobicContact CG1-CD1 4.05Å; V596-L701 WeakPolarHBondContact O-CD1 3.4Å; V596-L702 PolarHBondContact O-N 3.22Å
597	P	97.2	Very high	82.1	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.8	-179.4	31.2	-34.4	0	0	0	112.3	L595 L602 V609 I620 I622 M681 L702	L595-P597 WeakPolarHBondContact O-CD 3.41Å; P597-L602 HydrophobicContact CB-CG 4.44Å; P597-L602 HydrophobicContact CG-CD2 4.27Å; P597-L602 HydrophobicContact CG-CG 4.44Å; P597-V609 HydrophobicContact CB-CG2 4.45Å; P597-V609 HydrophobicContact CG-CG1 4.47Å; P597-I620 HydrophobicContact CG-CG2 3.83Å; P597-I622 HydrophobicContact CG-CD1 3.55Å; P597-M681 WeakPolarHBondContact O-CE 3Å; P597-L702 CarbonylContact C-O 3.5Å; P597-L702 WeakPolarHBondContact CA-O 3.42Å; P597-L702 HydrophobicContact CB-CB 4.45Å
598	D	95.4	Very high	84.7	Confident	13 Å²	13	28.4 Å²	28.4	7%	0.07	14%	0.144	C	C	.	.			trans	-76.5	166	170.6	72.4	-6.3	0	0	0	112.7	A600 S601 L602 M681 L702 T703 H704	D598-A600 PolarHBondContact O-N 2.78Å; D598-S601 WeakPolarHBondContact O-CB 3.38Å; D598-S601 PolarHBondContact O-N 3.04Å; D598-S601 VanDerWaalsContact O-N 3.12Å; D598-S601 WeakPolarHBondContact OD1-CA 3.2Å; D598-S601 WeakPolarHBondContact OD1-CB 3.23Å; D598-S601 PolarHBondContact OD1-N 3.14Å; D598-S601 PolarHBondContact OD1-OG 3.31Å; D598-L602 PolarHBondContact O-N 3.23Å; D598-L602 VanDerWaalsContact O-N 3.11Å; D598-M681 HydrophobicContact CB-CE 3.55Å; D598-M681 HydrophobicContact CB-SD 3.39Å; D598-M681 WeakPolarHBondContact CB-SD 3.38Å; D598-L702 PolarHBondContact N-O 3.31Å; D598-T703 WeakPolarHBondContact OD1-CA 3.29Å; D598-T703 WeakPolarHBondContact OD2-CA 3.21Å; D598-T703 WeakPolarHBondContact OD2-CB 3.37Å; D598-T703 PolarHBondContact OD2-OG1 2.98Å; D598-H704 PolarHBondContact OD1-N 3.37Å
599	A	95.6	Very high	87.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-34.9	179	0	0	0	0	0	112	L602 C603 V626 E629 L630 W633	A599-L602 PolarHBondContact O-N 3.22Å; A599-C603 WeakPolarHBondContact O-CB 3.44Å; A599-C603 PolarHBondContact O-N 2.83Å; A599-C603 PolarHBondContact O-SG 3.49Å; A599-V626 HydrophobicContact CB-CG1 4.02Å; A599-E629 HydrophobicContact CB-CB 3.77Å; A599-E629 VanDerWaalsContact CB-OE2 3.31Å; A599-E629 WeakPolarHBondContact CB-OE2 3.13Å; A599-L630 HydrophobicContact CB-CD2 4.5Å; A599-W633 HydrophobicContact CB-CE3 4.23Å; A599-W633 HydrophobicContact CB-CH2 3.73Å; A599-W633 HydrophobicContact CB-CZ3 3.5Å
600	A	94.5	Very high	90	Very high	10 Å²	10	26.2 Å²	26.2	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-65	-41.3	176.5	0	0	0	0	0	112.1	D598 C603 H604 H704	D598-A600 PolarHBondContact O-N 2.78Å; A600-C603 PolarHBondContact O-N 3.34Å; A600-H604 WeakPolarHBondContact O-CB 3.41Å; A600-H604 PolarHBondContact O-CD2 3.32Å; A600-H604 PolarHBondContact O-N 2.88Å; A600-H704 HydrophobicContact CB-CB 3.75Å
601	S	96.7	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-45.6	175.8	-63.8	0	0	0	0	111.2	D598 C603 N605 L702 T703 H704	D598-S601 WeakPolarHBondContact O-CB 3.38Å; D598-S601 PolarHBondContact O-N 3.04Å; D598-S601 VanDerWaalsContact O-N 3.12Å; D598-S601 WeakPolarHBondContact OD1-CA 3.2Å; D598-S601 WeakPolarHBondContact OD1-CB 3.23Å; D598-S601 PolarHBondContact OD1-N 3.14Å; D598-S601 PolarHBondContact OD1-OG 3.31Å; S601-C603 VanDerWaalsContact C-N 3.3Å; S601-C603 PolarHBondContact O-N 3.45Å; S601-N605 CarbonylContact O-C 3.54Å; S601-N605 VanDerWaalsContact O-C 3.29Å; S601-N605 VanDerWaalsContact O-CA 3.26Å; S601-N605 WeakPolarHBondContact O-CA 3.03Å; S601-N605 WeakPolarHBondContact O-CB 3.33Å; S601-N605 PolarHBondContact O-N 2.91Å; S601-L702 PolarHBondContact OG-O 3.39Å; S601-T703 VanDerWaalsContact OG-CA 3.23Å; S601-T703 WeakPolarHBondContact OG-CA 3.42Å; S601-H704 PolarHBondContact OG-N 3.29Å
602	L	97.5	Very high	92.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-36	176.1	-69.9	175.9	0	0	0	112.4	P597 D598 A599 L606 V609 I622 V626 L630 A643 W646	P597-L602 HydrophobicContact CB-CG 4.44Å; P597-L602 HydrophobicContact CG-CD2 4.27Å; P597-L602 HydrophobicContact CG-CG 4.44Å; D598-L602 PolarHBondContact O-N 3.23Å; D598-L602 VanDerWaalsContact O-N 3.11Å; A599-L602 PolarHBondContact O-N 3.22Å; L602-L606 HydrophobicContact CD2-CD1 4.44Å; L602-L606 WeakPolarHBondContact O-CB 3.07Å; L602-V609 HydrophobicContact CD2-CB 4.34Å; L602-V609 HydrophobicContact CD2-CG1 3.85Å; L602-V609 HydrophobicContact CD2-CG2 4.18Å; L602-I622 HydrophobicContact CD1-CD1 4.24Å; L602-I622 HydrophobicContact CD2-CD1 4.47Å; L602-V626 HydrophobicContact CD1-CG1 3.43Å; L602-V626 VanDerWaalsContact CD1-CG1 3.43Å; L602-L630 HydrophobicContact CD1-CD1 3.89Å; L602-A643 HydrophobicContact CB-CB 4.03Å; L602-W646 HydrophobicContact CD2-CE3 4.49Å; L602-W646 HydrophobicContact CD2-CZ3 3.77Å
603	C	96.9	Very high	92.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.1	-47.9	178.8	-72	0	0	0	0	112.4	A599 A600 S601 L630 M637 Q639	A599-C603 WeakPolarHBondContact O-CB 3.44Å; A599-C603 PolarHBondContact O-N 2.83Å; A599-C603 PolarHBondContact O-SG 3.49Å; A600-C603 PolarHBondContact O-N 3.34Å; S601-C603 VanDerWaalsContact C-N 3.3Å; S601-C603 PolarHBondContact O-N 3.45Å; C603-L630 WeakPolarHBondContact SG-CD2 3.31Å; C603-M637 HydrophobicContact CB-CE 3.76Å; C603-M637 WeakPolarHBondContact SG-CE 3.22Å; C603-Q639 HydrophobicContact CB-CB 3.87Å; C603-Q639 WeakPolarHBondContact O-CB 3.2Å; C603-Q639 WeakPolarHBondContact O-CG 3.48Å
604	H	96.3	Very high	93.1	Very high	88 Å²	88	25.9 Å²	25.9	41%	0.407	13%	0.127	S	C	.	.	H	α-helix	trans	-95.9	-27.1	-168.5	-63.5	-63	0	0	0	113.8	A600 H704	A600-H604 WeakPolarHBondContact O-CB 3.41Å; A600-H604 PolarHBondContact O-CD2 3.32Å; A600-H604 PolarHBondContact O-N 2.88Å; H604-H704 WeakPolarHBondContact CB-ND1 3.5Å
605	N	96.9	Very high	92.4	Very high	22 Å²	22	26.5 Å²	26.5	12%	0.118	13%	0.132	C	C	.	.			trans	-126.7	30.3	-171.8	-59.4	-39.6	0	0	0	112.3	S601 N607 M608 V609 H704 I732	S601-N605 CarbonylContact O-C 3.54Å; S601-N605 VanDerWaalsContact O-C 3.29Å; S601-N605 VanDerWaalsContact O-CA 3.26Å; S601-N605 WeakPolarHBondContact O-CA 3.03Å; S601-N605 WeakPolarHBondContact O-CB 3.33Å; S601-N605 PolarHBondContact O-N 2.91Å; N605-N607 PolarHBondContact O-N 2.84Å; N605-N607 VanDerWaalsContact O-N 3.15Å; N605-M608 HydrophobicContact CB-SD 4.08Å; N605-M608 WeakPolarHBondContact O-CB 3.17Å; N605-M608 PolarHBondContact O-N 3.18Å; N605-V609 PolarHBondContact O-N 3.47Å; N605-H704 PolarHBondContact ND2-ND1 3.42Å; N605-I732 HydrophobicContact CB-CD1 4.23Å; N605-I732 HydrophobicContact CB-CG2 3.86Å; N605-I732 WeakPolarHBondContact ND2-CG2 2.92Å
606	L	97.2	Very high	91	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-51.8	-39.4	-176	-172.9	57.7	0	0	0	113.7	L602 M608 V609 Q610 R642 W646	L602-L606 HydrophobicContact CD2-CD1 4.44Å; L602-L606 WeakPolarHBondContact O-CB 3.07Å; L606-M608 VanDerWaalsContact C-N 3.32Å; L606-M608 PolarHBondContact O-N 3.18Å; L606-V609 PolarHBondContact O-N 3.11Å; L606-Q610 HydrophobicContact CD1-CG 4.4Å; L606-Q610 HydrophobicContact CG-CG 4.27Å; L606-Q610 WeakPolarHBondContact O-CB 3.29Å; L606-Q610 VanDerWaalsContact O-CG 3.24Å; L606-Q610 WeakPolarHBondContact O-CG 3.3Å; L606-Q610 PolarHBondContact O-N 3.32Å; L606-R642 HydrophobicContact CD2-CG 4Å; L606-W646 HydrophobicContact CD1-CD2 3.8Å; L606-W646 HydrophobicContact CD1-CE3 3.48Å; L606-W646 VanDerWaalsContact CD1-CE3 3.48Å; L606-W646 HydrophobicContact CD1-CG 4.28Å; L606-W646 HydrophobicContact CD1-CZ3 3.97Å; L606-W646 HydrophobicContact CD2-CB 4.4Å
607	N	94.6	Very high	89.7	Confident	81 Å²	81	27.1 Å²	27.1	43%	0.433	14%	0.136	S	C	.	.	H	α-helix	trans	-61.7	-39.7	179.8	60.9	-57.4	0	0	0	112.1	N605 Q610 E611	N605-N607 PolarHBondContact O-N 2.84Å; N605-N607 VanDerWaalsContact O-N 3.15Å; N607-Q610 WeakPolarHBondContact O-CB 3.38Å; N607-Q610 PolarHBondContact O-N 2.83Å; N607-E611 WeakPolarHBondContact O-CG 3.36Å; N607-E611 PolarHBondContact O-N 3.08Å
608	M	94.9	Very high	88.8	Confident	23 Å²	23	27.2 Å²	27.2	11%	0.113	14%	0.136	C	C	.	.	H	α-helix	trans	-66.9	-44	176.4	-64	171	-179.9	0	0	110.5	N605 L606 Q610 E611 L612 I732 K733 F736	N605-M608 HydrophobicContact CB-SD 4.08Å; N605-M608 WeakPolarHBondContact O-CB 3.17Å; N605-M608 PolarHBondContact O-N 3.18Å; L606-M608 VanDerWaalsContact C-N 3.32Å; L606-M608 PolarHBondContact O-N 3.18Å; M608-Q610 VanDerWaalsContact C-N 3.29Å; M608-Q610 PolarHBondContact O-N 2.83Å; M608-E611 PolarHBondContact O-N 3.43Å; M608-L612 WeakPolarHBondContact O-CB 3.36Å; M608-L612 WeakPolarHBondContact O-CG 3.5Å; M608-L612 PolarHBondContact O-N 2.69Å; M608-I732 HydrophobicContact CB-CD1 4.38Å; M608-I732 HydrophobicContact CB-CG1 4.46Å; M608-K733 HydrophobicContact CE-CB 4.23Å; M608-K733 HydrophobicContact CE-CD 4.4Å; M608-K733 HydrophobicContact CE-CG 3.91Å; M608-K733 HydrophobicContact SD-CB 4.24Å; M608-F736 HydrophobicContact CB-CB 4.39Å; M608-F736 HydrophobicContact CB-CD2 3.67Å; M608-F736 HydrophobicContact CB-CE2 4.07Å; M608-F736 HydrophobicContact CB-CG 3.97Å; M608-F736 HydrophobicContact CE-CD1 4.5Å; M608-F736 HydrophobicContact CG-CB 4.3Å; M608-F736 HydrophobicContact CG-CD1 4.02Å; M608-F736 HydrophobicContact CG-CD2 3.94Å; M608-F736 HydrophobicContact CG-CE1 4.34Å; M608-F736 HydrophobicContact CG-CE2 4.27Å; M608-F736 HydrophobicContact CG-CG 3.8Å; M608-F736 HydrophobicContact CG-CZ 4.46Å; M608-F736 HydrophobicContact SD-CB 4.15Å; M608-F736 HydrophobicContact SD-CD1 4.44Å; M608-F736 HydrophobicContact SD-CG 4.23Å
609	V	94.8	Very high	88.2	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-41.9	176	-176.1	0	0	0	0	110.7	P597 L602 N605 L606 L612 L613 I620 W646 I732	P597-V609 HydrophobicContact CB-CG2 4.45Å; P597-V609 HydrophobicContact CG-CG1 4.47Å; L602-V609 HydrophobicContact CD2-CB 4.34Å; L602-V609 HydrophobicContact CD2-CG1 3.85Å; L602-V609 HydrophobicContact CD2-CG2 4.18Å; N605-V609 PolarHBondContact O-N 3.47Å; L606-V609 PolarHBondContact O-N 3.11Å; V609-L612 PolarHBondContact O-N 3.03Å; V609-L613 WeakPolarHBondContact O-CB 3.35Å; V609-L613 PolarHBondContact O-N 2.65Å; V609-I620 HydrophobicContact CG1-CD1 3.79Å; V609-W646 HydrophobicContact CG1-CH2 3.72Å; V609-W646 HydrophobicContact CG1-CZ3 4.18Å; V609-I732 HydrophobicContact CG2-CD1 3.35Å
610	Q	92.6	Very high	88	Confident	61 Å²	61	27.3 Å²	27.3	29%	0.285	14%	0.137	S	C	.	.	H	α-helix	trans	-59.8	-49.1	175.2	-75.9	174.8	-37.8	0	0	111	L606 N607 M608 L612 L613 H614 W646	L606-Q610 HydrophobicContact CD1-CG 4.4Å; L606-Q610 HydrophobicContact CG-CG 4.27Å; L606-Q610 WeakPolarHBondContact O-CB 3.29Å; L606-Q610 VanDerWaalsContact O-CG 3.24Å; L606-Q610 WeakPolarHBondContact O-CG 3.3Å; L606-Q610 PolarHBondContact O-N 3.32Å; N607-Q610 WeakPolarHBondContact O-CB 3.38Å; N607-Q610 PolarHBondContact O-N 2.83Å; M608-Q610 VanDerWaalsContact C-N 3.29Å; M608-Q610 PolarHBondContact O-N 2.83Å; Q610-L612 VanDerWaalsContact C-N 3.34Å; Q610-L612 PolarHBondContact O-N 3.2Å; Q610-L613 PolarHBondContact O-N 3.26Å; Q610-H614 WeakPolarHBondContact O-CB 3.38Å; Q610-H614 PolarHBondContact O-N 3.46Å; Q610-H614 PolarHBondContact O-ND1 3.15Å; Q610-W646 HydrophobicContact CG-CD2 4.22Å; Q610-W646 HydrophobicContact CG-CG 4.49Å; Q610-W646 HydrophobicContact CG-CZ2 3.83Å
611	E	87.2	Confident	87.8	Confident	98 Å²	98	27 Å²	27	46%	0.458	14%	0.135	S	C	.	.	H	α-helix	trans	-64	-38.2	178.4	-73.7	-178.4	-122.3	0	0	112.7	N607 M608 C615 F736	N607-E611 WeakPolarHBondContact O-CG 3.36Å; N607-E611 PolarHBondContact O-N 3.08Å; M608-E611 PolarHBondContact O-N 3.43Å; E611-C615 WeakPolarHBondContact O-CB 3.32Å; E611-C615 PolarHBondContact O-N 2.95Å; E611-F736 HydrophobicContact CB-CE2 3.78Å; E611-F736 HydrophobicContact CB-CZ 4.18Å; E611-F736 WeakPolarHBondContact OE2-CZ 3.28Å
612	L	87.2	Confident	87.7	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-32.8	174.8	-69.4	167.9	0	0	0	112.6	L595 M608 V609 Q610 C615 F618 I620 L702 F735 F736 W739	L595-L612 HydrophobicContact CD1-CB 4.06Å; L595-L612 HydrophobicContact CD1-CD1 4.06Å; L595-L612 HydrophobicContact CD1-CD2 4.34Å; L595-L612 HydrophobicContact CD1-CG 4.38Å; M608-L612 WeakPolarHBondContact O-CB 3.36Å; M608-L612 WeakPolarHBondContact O-CG 3.5Å; M608-L612 PolarHBondContact O-N 2.69Å; V609-L612 PolarHBondContact O-N 3.03Å; Q610-L612 VanDerWaalsContact C-N 3.34Å; Q610-L612 PolarHBondContact O-N 3.2Å; L612-C615 PolarHBondContact O-SG 3.26Å; L612-F618 HydrophobicContact CD2-CD2 4.08Å; L612-F618 HydrophobicContact CD2-CE2 3.64Å; L612-I620 HydrophobicContact CB-CD1 4.21Å; L612-L702 HydrophobicContact CD1-CD1 4.32Å; L612-F735 HydrophobicContact CD1-CD1 4.28Å; L612-F735 HydrophobicContact CD1-CE1 4.4Å; L612-F735 HydrophobicContact CD2-CD1 4.5Å; L612-F735 HydrophobicContact CD2-CE1 4.1Å; L612-F736 HydrophobicContact CD1-CD2 4.12Å; L612-F736 HydrophobicContact CD2-CD2 4.12Å; L612-F736 HydrophobicContact CG-CD2 3.88Å; L612-F736 HydrophobicContact CG-CE2 4.33Å; L612-W739 HydrophobicContact CD2-CD2 3.86Å; L612-W739 HydrophobicContact CD2-CE3 3.85Å; L612-W739 HydrophobicContact CD2-CG 4.22Å; L612-W739 HydrophobicContact CD2-CZ3 4.29Å
613	L	84.8	Confident	87.5	Confident	7 Å²	7	27 Å²	27	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-71.1	-49.8	174.1	-174.8	68.2	0	0	0	110.4	V609 Q610 C615 G616 I620 W646 E650 H657 L658	V609-L613 WeakPolarHBondContact O-CB 3.35Å; V609-L613 PolarHBondContact O-N 2.65Å; Q610-L613 PolarHBondContact O-N 3.26Å; L613-C615 VanDerWaalsContact C-N 3.27Å; L613-C615 PolarHBondContact O-N 3.47Å; L613-G616 PolarHBondContact O-N 3.02Å; L613-I620 HydrophobicContact CB-CD1 3.76Å; L613-I620 HydrophobicContact CB-CG1 4.44Å; L613-I620 HydrophobicContact CD1-CB 4.04Å; L613-I620 HydrophobicContact CD1-CD1 4.12Å; L613-I620 HydrophobicContact CD1-CG1 3.93Å; L613-W646 HydrophobicContact CB-CZ2 4.48Å; L613-W646 HydrophobicContact CD2-CH2 4.13Å; L613-W646 HydrophobicContact CD2-CZ2 3.56Å; L613-E650 HydrophobicContact CD2-CG 4.06Å; L613-H657 HydrophobicContact CD1-CB 3.98Å; L613-H657 WeakPolarHBondContact CD1-O 3.31Å; L613-L658 HydrophobicContact CD1-CB 3.97Å; L613-L658 HydrophobicContact CD1-CD1 4.49Å; L613-L658 HydrophobicContact CD2-CB 4.49Å
614	H	77.3	Confident	87.1	Confident	121 Å²	121	27.5 Å²	27.5	56%	0.56	14%	0.137	S	C	*	.	H	α-helix	trans	-72.8	-18.3	-174.3	-71.5	96.1	0	0	0	113.4	Q610 G616 E650	Q610-H614 WeakPolarHBondContact O-CB 3.38Å; Q610-H614 PolarHBondContact O-N 3.46Å; Q610-H614 PolarHBondContact O-ND1 3.15Å; H614-G616 VanDerWaalsContact C-N 3.25Å; H614-G616 PolarHBondContact O-N 3.33Å; H614-E650 IonicContact CE1-OE1 3.72Å
615	C	73.2	Confident	86.8	Confident	20 Å²	20	23.6 Å²	23.6	14%	0.135	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-20	174.8	75.5	0	0	0	0	113.2	E611 L612 L613 D617 W739	E611-C615 WeakPolarHBondContact O-CB 3.32Å; E611-C615 PolarHBondContact O-N 2.95Å; L612-C615 PolarHBondContact O-SG 3.26Å; L613-C615 VanDerWaalsContact C-N 3.27Å; L613-C615 PolarHBondContact O-N 3.47Å; C615-D617 PolarHBondContact O-N 2.98Å; C615-D617 PolarHBondContact SG-N 2.88Å; C615-D617 VanDerWaalsContact SG-N 3.45Å; C615-W739 HydrophobicContact CB-CH2 3.8Å; C615-W739 HydrophobicContact CB-CZ2 3.44Å; C615-W739 VanDerWaalsContact CB-CZ2 3.44Å; C615-W739 WeakPolarHBondContact SG-CZ2 3.37Å
616	G	64.3	Low	86.7	Confident	4 Å²	4	22.6 Å²	22.6	4%	0.041	11%	0.114	C	C	.	.			trans	68.9	8.6	-179.8	0	0	0	0	0	114.7	L613 H614 F618	L613-G616 PolarHBondContact O-N 3.02Å; H614-G616 VanDerWaalsContact C-N 3.25Å; H614-G616 PolarHBondContact O-N 3.33Å; G616-F618 PolarHBondContact O-N 3.05Å
617	D	69.6	Low	86.5	Confident	10 Å²	10	23.7 Å²	23.7	5%	0.053	12%	0.121	C	C	.	.	S	Bend	trans	-75	-18.6	178.9	-74.5	-14.1	0	0	0	112.7	G204 V205 C615 W739	G204-D617 WeakPolarHBondContact CA-OD1 3.22Å; V205-D617 HydrophobicContact CG2-CB 3.97Å; V205-D617 PolarHBondContact N-OD1 3.47Å; C615-D617 PolarHBondContact O-N 2.98Å; C615-D617 PolarHBondContact SG-N 2.88Å; C615-D617 VanDerWaalsContact SG-N 3.45Å; D617-W739 PolarHBondContact OD2-NE1 3Å
618	F	78.5	Confident	86.3	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.018	11%	0.113	C	C	.	.	S	Bend	trans	-136.6	151.5	-168.9	-49.6	-77.7	0	0	0	111.5	P592 M593 L595 L612 G616 F735 W739	P592-F618 WeakPolarHBondContact O-CD1 3.41Å; P592-F618 VanDerWaalsContact O-CE1 3.3Å; P592-F618 WeakPolarHBondContact O-CE1 3.46Å; M593-F618 WeakPolarHBondContact O-CA 3.36Å; L595-F618 HydrophobicContact CD1-CB 3.63Å; L595-F618 HydrophobicContact CD1-CD1 3.94Å; L595-F618 HydrophobicContact CD1-CD2 3.58Å; L595-F618 HydrophobicContact CD1-CE2 4.19Å; L595-F618 HydrophobicContact CD1-CG 3.43Å; L595-F618 VanDerWaalsContact CD1-CG 3.43Å; L595-F618 HydrophobicContact CD2-CD1 3.92Å; L595-F618 HydrophobicContact CD2-CE1 4.29Å; L595-F618 HydrophobicContact CD2-CG 4.27Å; L595-F618 HydrophobicContact CG-CB 3.7Å; L595-F618 HydrophobicContact CG-CD1 3.86Å; L595-F618 HydrophobicContact CG-CD2 4.37Å; L595-F618 HydrophobicContact CG-CG 3.72Å; L612-F618 HydrophobicContact CD2-CD2 4.08Å; L612-F618 HydrophobicContact CD2-CE2 3.64Å; G616-F618 PolarHBondContact O-N 3.05Å; F618-F735 HydrophobicContact CE1-CE1 4.33Å; F618-F735 AromaticContact CE1-CZ 3.77Å; F618-F735 HydrophobicContact CE1-CZ 3.77Å; F618-F735 HydrophobicContact CE2-CE1 4.37Å; F618-F735 AromaticContact CZ-CE1 3.98Å; F618-F735 HydrophobicContact CZ-CE1 3.98Å; F618-F735 AromaticContact CZ-CZ 3.74Å; F618-F735 HydrophobicContact CZ-CZ 3.74Å; F618-W739 AromaticContact CE2-CD1 3.74Å; F618-W739 HydrophobicContact CE2-CG 4.29Å; F618-W739 AromaticContact CE2-NE1 3.69Å; F618-W739 AromaticContact CZ-CD1 3.64Å; F618-W739 HydrophobicContact CZ-CG 4.32Å; F618-W739 AromaticContact CZ-NE1 3.99Å
619	V	81	Confident	86.3	Confident	13 Å²	13	23.2 Å²	23.2	8%	0.079	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.8	160.9	-177.2	0	0	0	0	107.9	V261 M593 F594 L595 V621 E659	V261-V619 HydrophobicContact CB-CG2 4.24Å; V261-V619 HydrophobicContact CG1-CG2 3.68Å; V261-V619 HydrophobicContact CG2-CG2 4.14Å; M593-V619 PolarHBondContact O-N 3.16Å; F594-V619 CarbonylContact C-O 3.48Å; F594-V619 VanDerWaalsContact CA-O 3.29Å; F594-V619 WeakPolarHBondContact CA-O 3.33Å; F594-V619 HydrophobicContact CD1-CB 3.71Å; F594-V619 HydrophobicContact CD1-CG1 4.02Å; F594-V619 HydrophobicContact CD1-CG2 4.5Å; F594-V619 HydrophobicContact CE1-CB 3.89Å; F594-V619 HydrophobicContact CE1-CG1 4.06Å; F594-V619 HydrophobicContact CE1-CG2 4.26Å; L595-V619 PolarHBondContact N-O 3.24Å; V619-V621 HydrophobicContact CG1-CG2 4.26Å; V619-E659 HydrophobicContact CG1-CB 4.35Å
620	I	91.2	Very high	86.3	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117	174.3	-56.6	-160.3	0	0	0	108.4	L595 P597 V609 L612 L613 I622 H657 L658 E659	L595-I620 HydrophobicContact CB-CG1 4.33Å; L595-I620 HydrophobicContact CD1-CG1 4.5Å; L595-I620 CarbonylContact O-C 3.58Å; L595-I620 WeakPolarHBondContact O-CA 3.26Å; P597-I620 HydrophobicContact CG-CG2 3.83Å; V609-I620 HydrophobicContact CG1-CD1 3.79Å; L612-I620 HydrophobicContact CB-CD1 4.21Å; L613-I620 HydrophobicContact CB-CD1 3.76Å; L613-I620 HydrophobicContact CB-CG1 4.44Å; L613-I620 HydrophobicContact CD1-CB 4.04Å; L613-I620 HydrophobicContact CD1-CD1 4.12Å; L613-I620 HydrophobicContact CD1-CG1 3.93Å; I620-I622 HydrophobicContact CG2-CD1 3.75Å; I620-H657 PolarHBondContact N-O 2.99Å; I620-L658 HydrophobicContact CB-CD1 4.34Å; I620-L658 HydrophobicContact CG2-CD1 4.25Å; I620-L658 WeakPolarHBondContact O-CA 3.41Å; I620-E659 PolarHBondContact O-N 3.06Å
621	V	91.4	Very high	86.3	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.2	176.1	-170.5	0	0	0	0	109.5	F594 L595 V596 V619 E659 L688	F594-V621 HydrophobicContact CD1-CG2 3.74Å; F594-V621 HydrophobicContact CE1-CG2 4.47Å; L595-V621 PolarHBondContact O-N 3.19Å; V596-V621 HydrophobicContact CG2-CB 4.36Å; V619-V621 HydrophobicContact CG1-CG2 4.26Å; V621-E659 CarbonylContact C-O 3.53Å; V621-E659 VanDerWaalsContact CA-O 3.31Å; V621-E659 WeakPolarHBondContact CA-O 3.38Å; V621-E659 HydrophobicContact CG1-CB 4.37Å; V621-E659 HydrophobicContact CG2-CB 4.23Å; V621-L688 HydrophobicContact CB-CD1 3.89Å; V621-L688 HydrophobicContact CG1-CD1 3.92Å; V621-L688 HydrophobicContact CG1-CD2 4.17Å; V621-L688 HydrophobicContact CG1-CG 4.5Å; V621-L688 HydrophobicContact CG2-CD1 3.84Å; V621-L688 HydrophobicContact CG2-CD2 4.06Å
622	I	94.2	Very high	86.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.4	176.4	-53.5	-58	0	0	0	108.6	P597 L602 I620 V626 V627 L647 L658 E659 L660 Q661	P597-I622 HydrophobicContact CG-CD1 3.55Å; L602-I622 HydrophobicContact CD1-CD1 4.24Å; L602-I622 HydrophobicContact CD2-CD1 4.47Å; I620-I622 HydrophobicContact CG2-CD1 3.75Å; I622-V626 HydrophobicContact CG2-CB 4.26Å; I622-V626 HydrophobicContact CG2-CG1 4.16Å; I622-V627 HydrophobicContact CG2-CG2 3.98Å; I622-L647 HydrophobicContact CB-CD1 4.46Å; I622-L647 HydrophobicContact CG1-CD1 3.74Å; I622-L647 HydrophobicContact CG2-CD1 4.48Å; I622-L647 HydrophobicContact CG2-CD2 4.09Å; I622-L658 HydrophobicContact CD1-CD1 4.22Å; I622-L658 HydrophobicContact CG1-CD1 3.62Å; I622-E659 PolarHBondContact N-O 3.33Å; I622-L660 HydrophobicContact CB-CD1 4.13Å; I622-L660 HydrophobicContact CG2-CD1 4.18Å; I622-Q661 PolarHBondContact O-N 3.29Å
623	S	92.6	Very high	86.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-65.1	142.6	172.6	177.5	0	0	0	0	110.1	T625 V626 V627 Q661	S623-T625 PolarHBondContact O-N 3.38Å; S623-T625 PolarHBondContact OG-N 2.84Å; S623-V626 VanDerWaalsContact O-CB 3.31Å; S623-V626 WeakPolarHBondContact O-CB 3.1Å; S623-V626 PolarHBondContact O-N 3.3Å; S623-V627 PolarHBondContact O-N 3.37Å; S623-Q661 PolarHBondContact OG-OE1 2.93Å
624	I	88.6	Confident	87.1	Confident	11 Å²	11	31.4 Å²	31.4	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-31.6	177.3	-170.3	70.6	0	0	0	112	V626 V627 D628 R663	I624-V626 PolarHBondContact O-N 3.29Å; I624-V627 HydrophobicContact CD1-CB 4.31Å; I624-V627 WeakPolarHBondContact O-CA 3.05Å; I624-V627 WeakPolarHBondContact O-CB 3.45Å; I624-V627 PolarHBondContact O-N 2.91Å; I624-D628 PolarHBondContact O-N 3.15Å; I624-R663 HydrophobicContact CD1-CG 3.84Å; I624-R663 HydrophobicContact CG1-CG 3.55Å
625	T	89.9	Confident	87.6	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.043	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-36.2	175.1	-57.4	0	0	0	0	111.5	S623 V627 D628 E629 A677 E680	S623-T625 PolarHBondContact O-N 3.38Å; S623-T625 PolarHBondContact OG-N 2.84Å; T625-V627 VanDerWaalsContact C-N 3.34Å; T625-D628 PolarHBondContact O-N 3.47Å; T625-E629 WeakPolarHBondContact O-CG 3.48Å; T625-E629 PolarHBondContact O-N 3.12Å; T625-A677 HydrophobicContact CG2-CB 3.7Å; T625-E680 HydrophobicContact CG2-CB 3.99Å; T625-E680 VanDerWaalsContact OG1-CB 3.3Å; T625-E680 WeakPolarHBondContact OG1-CB 3.43Å; T625-E680 VanDerWaalsContact OG1-CD 3.31Å; T625-E680 PolarHBondContact OG1-OE1 3.34Å
626	V	95	Very high	88.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-38.1	175	171.4	0	0	0	0	111	A599 L602 I622 S623 I624 E629 L630 M681	A599-V626 HydrophobicContact CB-CG1 4.02Å; L602-V626 HydrophobicContact CD1-CG1 3.43Å; L602-V626 VanDerWaalsContact CD1-CG1 3.43Å; I622-V626 HydrophobicContact CG2-CB 4.26Å; I622-V626 HydrophobicContact CG2-CG1 4.16Å; S623-V626 VanDerWaalsContact O-CB 3.31Å; S623-V626 WeakPolarHBondContact O-CB 3.1Å; S623-V626 PolarHBondContact O-N 3.3Å; I624-V626 PolarHBondContact O-N 3.29Å; V626-E629 PolarHBondContact O-N 2.96Å; V626-L630 HydrophobicContact CG1-CD1 4.3Å; V626-L630 HydrophobicContact CG1-CG 4.47Å; V626-L630 WeakPolarHBondContact O-CB 3.45Å; V626-L630 VanDerWaalsContact O-CG 3.22Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.24Å; V626-M681 HydrophobicContact CG2-CE 4.01Å; V626-M681 HydrophobicContact CG2-CG 4.4Å; V626-M681 HydrophobicContact CG2-SD 4.03Å
627	V	93.2	Very high	89.8	Confident	29 Å²	29	40.4 Å²	40.4	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-45.7	173.3	-178.9	0	0	0	0	110.8	I622 S623 I624 T625 E629 L630 D631 L647 L660	I622-V627 HydrophobicContact CG2-CG2 3.98Å; S623-V627 PolarHBondContact O-N 3.37Å; I624-V627 HydrophobicContact CD1-CB 4.31Å; I624-V627 WeakPolarHBondContact O-CA 3.05Å; I624-V627 WeakPolarHBondContact O-CB 3.45Å; I624-V627 PolarHBondContact O-N 2.91Å; T625-V627 VanDerWaalsContact C-N 3.34Å; V627-E629 PolarHBondContact O-N 2.77Å; V627-L630 PolarHBondContact O-N 3.03Å; V627-D631 WeakPolarHBondContact O-CB 3.3Å; V627-D631 PolarHBondContact O-N 3.45Å; V627-L647 HydrophobicContact CG2-CD2 3.97Å; V627-L660 HydrophobicContact CG2-CD1 3.6Å
628	D	91.1	Very high	90.9	Very high	50 Å²	50	44.6 Å²	44.6	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-63.6	-40.6	179.1	-64.9	-30.2	0	0	0	111.3	I624 T625 D631 L632 R663	I624-D628 PolarHBondContact O-N 3.15Å; T625-D628 PolarHBondContact O-N 3.47Å; D628-D631 PolarHBondContact O-N 3.23Å; D628-L632 WeakPolarHBondContact O-CG 3.16Å; D628-L632 PolarHBondContact O-N 3.15Å; D628-R663 IonicContact OD1-NH2 2.64Å; D628-R663 PolarHBondContact OD1-NH2 3.44Å
629	E	94.2	Very high	91.8	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-46.4	173.7	-76	-168	117.8	0	0	112.4	A599 T625 V626 V627 D631 L632 W633 A677	A599-E629 HydrophobicContact CB-CB 3.77Å; A599-E629 VanDerWaalsContact CB-OE2 3.31Å; A599-E629 WeakPolarHBondContact CB-OE2 3.13Å; T625-E629 WeakPolarHBondContact O-CG 3.48Å; T625-E629 PolarHBondContact O-N 3.12Å; V626-E629 PolarHBondContact O-N 2.96Å; V627-E629 PolarHBondContact O-N 2.77Å; E629-D631 PolarHBondContact O-N 3.32Å; E629-L632 PolarHBondContact O-N 2.9Å; E629-L632 VanDerWaalsContact O-N 3.16Å; E629-W633 HydrophobicContact CB-CZ2 4.25Å; E629-W633 HydrophobicContact CG-CZ2 4.39Å; E629-W633 WeakPolarHBondContact O-CB 3.28Å; E629-W633 PolarHBondContact O-N 2.91Å; E629-W633 WeakPolarHBondContact OE1-CZ2 3.49Å; E629-A677 VanDerWaalsContact CD-CB 3.41Å; E629-A677 HydrophobicContact CG-CB 4.22Å; E629-A677 VanDerWaalsContact OE1-CB 3.32Å; E629-A677 WeakPolarHBondContact OE1-CB 3.4Å
630	L	95.9	Very high	92.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-38.7	176.2	-72.3	178.4	0	0	0	111.4	A599 L602 C603 V626 V627 L632 W633 K634 A640 A643	A599-L630 HydrophobicContact CB-CD2 4.5Å; L602-L630 HydrophobicContact CD1-CD1 3.89Å; C603-L630 WeakPolarHBondContact SG-CD2 3.31Å; V626-L630 HydrophobicContact CG1-CD1 4.3Å; V626-L630 HydrophobicContact CG1-CG 4.47Å; V626-L630 WeakPolarHBondContact O-CB 3.45Å; V626-L630 VanDerWaalsContact O-CG 3.22Å; V626-L630 WeakPolarHBondContact O-CG 3.38Å; V626-L630 PolarHBondContact O-N 3.24Å; V627-L630 PolarHBondContact O-N 3.03Å; L630-L632 VanDerWaalsContact C-N 3.35Å; L630-L632 PolarHBondContact O-N 3.05Å; L630-W633 PolarHBondContact O-N 2.98Å; L630-K634 VanDerWaalsContact O-CB 3.29Å; L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 2.91Å; L630-A640 HydrophobicContact CD2-CB 4.13Å; L630-A643 HydrophobicContact CD1-CB 4.18Å; L630-A643 HydrophobicContact CD2-CB 3.97Å
631	D	91.2	Very high	92.7	Very high	63 Å²	63	53 Å²	53	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-67.6	-31.9	177.4	-92.4	3.6	0	0	0	114	V627 D628 E629 K634	V627-D631 WeakPolarHBondContact O-CB 3.3Å; V627-D631 PolarHBondContact O-N 3.45Å; D628-D631 PolarHBondContact O-N 3.23Å; E629-D631 PolarHBondContact O-N 3.32Å; D631-K634 VanDerWaalsContact CG-NZ 3.26Å; D631-K634 WeakPolarHBondContact O-CE 3.31Å; D631-K634 WeakPolarHBondContact O-CG 3.43Å; D631-K634 WeakPolarHBondContact OD1-CE 3.39Å; D631-K634 IonicContact OD1-NZ 3.66Å; D631-K634 PolarHBondContact OD1-NZ 3.2Å; D631-K634 IonicContact OD2-NZ 3.92Å
632	L	89.4	Confident	92.9	Very high	122 Å²	122	58.1 Å²	58.1	64%	0.639	28%	0.276	S	S	*	.	H	α-helix	trans	-73.2	-44	171.2	-68.3	171.6	0	0	0	110.9	D628 E629 L630	D628-L632 WeakPolarHBondContact O-CG 3.16Å; D628-L632 PolarHBondContact O-N 3.15Å; E629-L632 PolarHBondContact O-N 2.9Å; E629-L632 VanDerWaalsContact O-N 3.16Å; L630-L632 VanDerWaalsContact C-N 3.35Å; L630-L632 PolarHBondContact O-N 3.05Å
633	W	94.6	Very high	93.1	Very high	80 Å²	80	58.2 Å²	58.2	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-78.4	-23.3	-173.3	-61.7	-3.8	0	0	0	113.7	A599 E629 L630 K635 S636 M637 A640	A599-W633 HydrophobicContact CB-CE3 4.23Å; A599-W633 HydrophobicContact CB-CH2 3.73Å; A599-W633 HydrophobicContact CB-CZ3 3.5Å; E629-W633 HydrophobicContact CB-CZ2 4.25Å; E629-W633 HydrophobicContact CG-CZ2 4.39Å; E629-W633 WeakPolarHBondContact O-CB 3.28Å; E629-W633 PolarHBondContact O-N 2.91Å; E629-W633 WeakPolarHBondContact OE1-CZ2 3.49Å; L630-W633 PolarHBondContact O-N 2.98Å; W633-K635 PolarHBondContact O-N 3.41Å; W633-S636 PolarHBondContact O-N 2.93Å; W633-S636 VanDerWaalsContact O-N 3.07Å; W633-S636 PolarHBondContact O-OG 3.48Å; W633-M637 HydrophobicContact CB-CE 4.23Å; W633-M637 HydrophobicContact CD2-CE 4.29Å; W633-M637 HydrophobicContact CE3-CE 3.62Å; W633-M637 HydrophobicContact CZ3-CE 4.38Å; W633-M637 WeakPolarHBondContact O-CB 3.19Å; W633-M637 PolarHBondContact O-N 2.94Å; W633-A640 HydrophobicContact CB-CB 3.7Å
634	K	91.8	Very high	93.2	Very high	73 Å²	73	58.7 Å²	58.7	32%	0.317	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.2	-178.9	72.9	-173.2	172.9	-169.5	0	113.9	L630 D631 A640 R641	L630-K634 VanDerWaalsContact O-CB 3.29Å; L630-K634 WeakPolarHBondContact O-CB 3.44Å; L630-K634 PolarHBondContact O-N 2.91Å; D631-K634 VanDerWaalsContact CG-NZ 3.26Å; D631-K634 WeakPolarHBondContact O-CE 3.31Å; D631-K634 WeakPolarHBondContact O-CG 3.43Å; D631-K634 WeakPolarHBondContact OD1-CE 3.39Å; D631-K634 IonicContact OD1-NZ 3.66Å; D631-K634 PolarHBondContact OD1-NZ 3.2Å; D631-K634 IonicContact OD2-NZ 3.92Å; K634-A640 HydrophobicContact CB-CB 4.38Å; K634-R641 HydrophobicContact CB-CG 3.7Å; K634-R641 VanDerWaalsContact O-CD 3.27Å; K634-R641 WeakPolarHBondContact O-CD 3.27Å; K634-R641 WeakPolarHBondContact O-CG 3.26Å; K634-R641 PolarHBondContact O-NE 3.06Å
635	K	88.2	Confident	93.5	Very high	186 Å²	186	65 Å²	65	81%	0.809	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.5	176.3	-67.7	-179.5	-178.7	173.5	0	113.1	W633	W633-K635 PolarHBondContact O-N 3.41Å
636	S	90.3	Very high	93.7	Very high	107 Å²	107	65.6 Å²	65.6	75%	0.748	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-23	-174.1	54	0	0	0	0	113.3	W633	W633-S636 PolarHBondContact O-N 2.93Å; W633-S636 VanDerWaalsContact O-N 3.07Å; W633-S636 PolarHBondContact O-OG 3.48Å
637	M	93.4	Very high	93.7	Very high	42 Å²	42	66 Å²	66	21%	0.207	31%	0.307	C	S	.	.			trans	-118	125.5	-170.6	-157	165.8	64.5	0	0	111.9	C603 W633 Q639 A640 R641	C603-M637 HydrophobicContact CB-CE 3.76Å; C603-M637 WeakPolarHBondContact SG-CE 3.22Å; W633-M637 HydrophobicContact CB-CE 4.23Å; W633-M637 HydrophobicContact CD2-CE 4.29Å; W633-M637 HydrophobicContact CE3-CE 3.62Å; W633-M637 HydrophobicContact CZ3-CE 4.38Å; W633-M637 WeakPolarHBondContact O-CB 3.19Å; W633-M637 PolarHBondContact O-N 2.94Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 HydrophobicContact CE-CB 4.38Å; M637-Q639 HydrophobicContact CG-CB 4.17Å; M637-Q639 VanDerWaalsContact CG-OE1 3.31Å; M637-A640 HydrophobicContact CB-CB 4.27Å; M637-A640 HydrophobicContact CE-CB 4.03Å; M637-R641 PolarHBondContact O-N 3.49Å
638	H	93.3	Very high	93.5	Very high	97 Å²	97	70 Å²	70	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-36.7	178.5	175.7	70.4	0	0	0	112.2	A640 R641 R642	H638-A640 PolarHBondContact O-N 3.5Å; H638-R641 WeakPolarHBondContact O-CB 3.49Å; H638-R641 PolarHBondContact O-N 3.26Å; H638-R642 PolarHBondContact O-N 3.01Å; H638-R642 VanDerWaalsContact O-N 3.08Å
639	Q	96.3	Very high	93.4	Very high	71 Å²	71	70.4 Å²	70.4	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-46.2	179.2	-70.1	81.5	-12.1	0	0	111.3	C603 M637 R641 R642 A643	C603-Q639 HydrophobicContact CB-CB 3.87Å; C603-Q639 WeakPolarHBondContact O-CB 3.2Å; C603-Q639 WeakPolarHBondContact O-CG 3.48Å; M637-Q639 VanDerWaalsContact C-N 3.33Å; M637-Q639 HydrophobicContact CE-CB 4.38Å; M637-Q639 HydrophobicContact CG-CB 4.17Å; M637-Q639 VanDerWaalsContact CG-OE1 3.31Å; Q639-R641 PolarHBondContact O-N 3.48Å; Q639-R642 WeakPolarHBondContact O-CB 3.42Å; Q639-R642 PolarHBondContact O-N 3.44Å; Q639-R642 VanDerWaalsContact O-N 3.08Å; Q639-A643 PolarHBondContact O-N 2.89Å
640	A	96.4	Very high	92.9	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-45	176.1	0	0	0	0	0	111.9	L630 W633 K634 M637 H638 R642 A643 S644	L630-A640 HydrophobicContact CD2-CB 4.13Å; W633-A640 HydrophobicContact CB-CB 3.7Å; K634-A640 HydrophobicContact CB-CB 4.38Å; M637-A640 HydrophobicContact CB-CB 4.27Å; M637-A640 HydrophobicContact CE-CB 4.03Å; H638-A640 PolarHBondContact O-N 3.5Å; A640-R642 PolarHBondContact O-N 3.28Å; A640-A643 PolarHBondContact O-N 2.91Å; A640-S644 PolarHBondContact O-N 3.47Å; A640-S644 PolarHBondContact O-OG 3.22Å; A640-S644 VanDerWaalsContact O-OG 3.1Å
641	R	95.8	Very high	92.2	Very high	125 Å²	125	72.8 Å²	72.8	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-30.8	173.7	-75.9	-177.3	-75.2	171.7	-4.2	113.7	K634 M637 H638 Q639 R645	K634-R641 HydrophobicContact CB-CG 3.7Å; K634-R641 VanDerWaalsContact O-CD 3.27Å; K634-R641 WeakPolarHBondContact O-CD 3.27Å; K634-R641 WeakPolarHBondContact O-CG 3.26Å; K634-R641 PolarHBondContact O-NE 3.06Å; M637-R641 PolarHBondContact O-N 3.49Å; H638-R641 WeakPolarHBondContact O-CB 3.49Å; H638-R641 PolarHBondContact O-N 3.26Å; Q639-R641 PolarHBondContact O-N 3.48Å; R641-R645 WeakPolarHBondContact O-CG 3.46Å; R641-R645 PolarHBondContact O-N 2.91Å; R641-R645 PolarHBondContact O-NE 3.22Å
642	R	96.3	Very high	91.5	Very high	112 Å²	112	75.4 Å²	75.4	42%	0.423	36%	0.361	S	S	.	.	H	α-helix	trans	-77.6	-43.8	178.5	-168.3	174.9	64.3	176.9	1.7	110.7	L606 H638 Q639 A640 W646	L606-R642 HydrophobicContact CD2-CG 4Å; H638-R642 PolarHBondContact O-N 3.01Å; H638-R642 VanDerWaalsContact O-N 3.08Å; Q639-R642 WeakPolarHBondContact O-CB 3.42Å; Q639-R642 PolarHBondContact O-N 3.44Å; Q639-R642 VanDerWaalsContact O-N 3.08Å; A640-R642 PolarHBondContact O-N 3.28Å; R642-W646 PolarHBondContact O-N 3.11Å; R642-W646 VanDerWaalsContact O-N 3.09Å
643	A	97.4	Very high	90.7	Very high	1 Å²	1	75 Å²	75	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-47.7	174.8	0	0	0	0	0	112.2	L602 L630 Q639 A640 R645 W646 L647	L602-A643 HydrophobicContact CB-CB 4.03Å; L630-A643 HydrophobicContact CD1-CB 4.18Å; L630-A643 HydrophobicContact CD2-CB 3.97Å; Q639-A643 PolarHBondContact O-N 2.89Å; A640-A643 PolarHBondContact O-N 2.91Å; A643-R645 PolarHBondContact O-N 3.06Å; A643-W646 PolarHBondContact O-N 3.07Å; A643-L647 WeakPolarHBondContact O-CB 3.41Å; A643-L647 PolarHBondContact O-N 3.06Å
644	S	95.2	Very high	89.1	Confident	11 Å²	11	79.1 Å²	79.1	8%	0.077	38%	0.382	C	S	.	.	H	α-helix	trans	-59.4	-46.1	178.4	-56.3	0	0	0	0	112.4	A640 W646 L647 E648	A640-S644 PolarHBondContact O-N 3.47Å; A640-S644 PolarHBondContact O-OG 3.22Å; A640-S644 VanDerWaalsContact O-OG 3.1Å; S644-W646 VanDerWaalsContact C-N 3.33Å; S644-W646 PolarHBondContact O-N 3.44Å; S644-L647 PolarHBondContact O-N 2.85Å; S644-E648 WeakPolarHBondContact O-CB 3.26Å; S644-E648 WeakPolarHBondContact O-CG 3.4Å; S644-E648 PolarHBondContact O-N 2.61Å
645	R	93.7	Very high	87.8	Confident	142 Å²	142	76.6 Å²	76.6	54%	0.536	38%	0.375	S	S	.	.	H	α-helix	trans	-64.6	-37.2	178.4	-77.6	-178	-67	130.1	-3.5	112.9	R641 A643 S649	R641-R645 WeakPolarHBondContact O-CG 3.46Å; R641-R645 PolarHBondContact O-N 2.91Å; R641-R645 PolarHBondContact O-NE 3.22Å; A643-R645 PolarHBondContact O-N 3.06Å; R645-S649 WeakPolarHBondContact O-CB 3.35Å; R645-S649 PolarHBondContact O-N 2.8Å
646	W	95.4	Very high	86.6	Confident	21 Å²	21	71 Å²	71	8%	0.08	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-49.1	174.1	169.3	66.3	0	0	0	110.2	L602 L606 V609 Q610 L613 R642 A643 S644 E648 S649 E650	L602-W646 HydrophobicContact CD2-CE3 4.49Å; L602-W646 HydrophobicContact CD2-CZ3 3.77Å; L606-W646 HydrophobicContact CD1-CD2 3.8Å; L606-W646 HydrophobicContact CD1-CE3 3.48Å; L606-W646 VanDerWaalsContact CD1-CE3 3.48Å; L606-W646 HydrophobicContact CD1-CG 4.28Å; L606-W646 HydrophobicContact CD1-CZ3 3.97Å; L606-W646 HydrophobicContact CD2-CB 4.4Å; V609-W646 HydrophobicContact CG1-CH2 3.72Å; V609-W646 HydrophobicContact CG1-CZ3 4.18Å; Q610-W646 HydrophobicContact CG-CD2 4.22Å; Q610-W646 HydrophobicContact CG-CG 4.49Å; Q610-W646 HydrophobicContact CG-CZ2 3.83Å; L613-W646 HydrophobicContact CB-CZ2 4.48Å; L613-W646 HydrophobicContact CD2-CH2 4.13Å; L613-W646 HydrophobicContact CD2-CZ2 3.56Å; R642-W646 PolarHBondContact O-N 3.11Å; R642-W646 VanDerWaalsContact O-N 3.09Å; A643-W646 PolarHBondContact O-N 3.07Å; S644-W646 VanDerWaalsContact C-N 3.33Å; S644-W646 PolarHBondContact O-N 3.44Å; W646-E648 PolarHBondContact O-N 2.74Å; W646-S649 WeakPolarHBondContact O-CB 3.21Å; W646-S649 PolarHBondContact O-N 3.24Å; W646-S649 VanDerWaalsContact O-N 3.09Å; W646-E650 HydrophobicContact CD2-CG 4.23Å; W646-E650 HydrophobicContact CG-CG 4.44Å; W646-E650 HydrophobicContact CZ2-CG 3.98Å; W646-E650 VanDerWaalsContact NE1-CG 3.31Å; W646-E650 PolarHBondContact NE1-OE1 3.05Å; W646-E650 WeakPolarHBondContact O-CG 3.41Å; W646-E650 PolarHBondContact O-N 3.21Å
647	L	94.2	Very high	85.7	Confident	9 Å²	9	66.8 Å²	66.8	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-46.7	179.4	-173.7	68.8	0	0	0	112.2	I622 V627 A643 S644 S649 E650 L651 L658	I622-L647 HydrophobicContact CB-CD1 4.46Å; I622-L647 HydrophobicContact CG1-CD1 3.74Å; I622-L647 HydrophobicContact CG2-CD1 4.48Å; I622-L647 HydrophobicContact CG2-CD2 4.09Å; V627-L647 HydrophobicContact CG2-CD2 3.97Å; A643-L647 WeakPolarHBondContact O-CB 3.41Å; A643-L647 PolarHBondContact O-N 3.06Å; S644-L647 PolarHBondContact O-N 2.85Å; L647-S649 VanDerWaalsContact C-N 3.31Å; L647-S649 PolarHBondContact O-N 3.4Å; L647-E650 PolarHBondContact O-N 3.46Å; L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CG-CD1 4.01Å; L647-L651 WeakPolarHBondContact O-CB 3.34Å; L647-L651 VanDerWaalsContact O-CG 3.26Å; L647-L651 WeakPolarHBondContact O-CG 3.29Å; L647-L651 PolarHBondContact O-N 3.36Å; L647-L658 HydrophobicContact CD1-CD1 4.11Å; L647-L658 HydrophobicContact CD1-CD2 3.79Å; L647-L658 HydrophobicContact CD1-CG 4.43Å
648	E	89	Confident	85.2	Confident	111 Å²	111	65.7 Å²	65.7	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-57.8	-43.8	174.5	-74.3	168.4	-172	0	0	111.6	S644 W646 L651 V652	S644-E648 WeakPolarHBondContact O-CB 3.26Å; S644-E648 WeakPolarHBondContact O-CG 3.4Å; S644-E648 PolarHBondContact O-N 2.61Å; W646-E648 PolarHBondContact O-N 2.74Å; E648-L651 PolarHBondContact O-N 2.99Å; E648-V652 WeakPolarHBondContact O-CB 3.4Å; E648-V652 WeakPolarHBondContact O-CG2 3.37Å; E648-V652 PolarHBondContact O-N 3.49Å
649	S	88.4	Confident	84.8	Confident	59 Å²	59	64 Å²	64	41%	0.413	31%	0.307	S	S	.	.	H	α-helix	trans	-64.8	-42.4	178.9	-173.9	0	0	0	0	112.6	R645 W646 L647 N653	R645-S649 WeakPolarHBondContact O-CB 3.35Å; R645-S649 PolarHBondContact O-N 2.8Å; W646-S649 WeakPolarHBondContact O-CB 3.21Å; W646-S649 PolarHBondContact O-N 3.24Å; W646-S649 VanDerWaalsContact O-N 3.09Å; L647-S649 VanDerWaalsContact C-N 3.31Å; L647-S649 PolarHBondContact O-N 3.4Å; S649-N653 WeakPolarHBondContact O-CB 3.32Å; S649-N653 PolarHBondContact O-N 3.33Å; S649-N653 PolarHBondContact O-ND2 2.82Å
650	E	85.4	Confident	84.3	Confident	29 Å²	29	63.6 Å²	63.6	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-67.8	-39.7	178.6	-64.5	-56.8	156.9	0	0	111.4	L613 H614 W646 L647 N653 E654 A655 L658	L613-E650 HydrophobicContact CD2-CG 4.06Å; H614-E650 IonicContact CE1-OE1 3.72Å; W646-E650 HydrophobicContact CD2-CG 4.23Å; W646-E650 HydrophobicContact CG-CG 4.44Å; W646-E650 HydrophobicContact CZ2-CG 3.98Å; W646-E650 VanDerWaalsContact NE1-CG 3.31Å; W646-E650 PolarHBondContact NE1-OE1 3.05Å; W646-E650 WeakPolarHBondContact O-CG 3.41Å; W646-E650 PolarHBondContact O-N 3.21Å; L647-E650 PolarHBondContact O-N 3.46Å; E650-N653 CarbonylContact O-C 3.36Å; E650-N653 PolarHBondContact O-N 3.24Å; E650-E654 PolarHBondContact O-N 3.11Å; E650-A655 HydrophobicContact CB-CB 3.88Å; E650-A655 WeakPolarHBondContact O-CB 3.3Å; E650-A655 PolarHBondContact O-N 3.44Å; E650-L658 HydrophobicContact CB-CD2 3.43Å; E650-L658 VanDerWaalsContact CB-CD2 3.43Å; E650-L658 HydrophobicContact CG-CD2 4.38Å
651	L	80.7	Confident	83.8	Confident	68 Å²	68	64.4 Å²	64.4	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-41.3	176.6	-70.2	171.2	0	0	0	112	L647 E648 N653 E654 L658 L660	L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CG-CD1 4.01Å; L647-L651 WeakPolarHBondContact O-CB 3.34Å; L647-L651 VanDerWaalsContact O-CG 3.26Å; L647-L651 WeakPolarHBondContact O-CG 3.29Å; L647-L651 PolarHBondContact O-N 3.36Å; E648-L651 PolarHBondContact O-N 2.99Å; L651-N653 VanDerWaalsContact C-N 3.31Å; L651-N653 PolarHBondContact O-N 3.46Å; L651-E654 PolarHBondContact O-N 3.47Å; L651-L658 HydrophobicContact CD2-CD2 3.92Å; L651-L658 HydrophobicContact CD2-CG 4.31Å; L651-L658 HydrophobicContact CG-CD2 4Å; L651-L660 HydrophobicContact CD1-CD2 4.19Å; L651-L660 HydrophobicContact CD2-CB 4.22Å
652	V	75.9	Confident	82.9	Confident	118 Å²	118	65.1 Å²	65.1	72%	0.715	32%	0.32	S	S	*	.	H	α-helix	trans	-66.3	-34.8	176.1	168.8	0	0	0	0	111.8	E648 E654	E648-V652 WeakPolarHBondContact O-CB 3.4Å; E648-V652 WeakPolarHBondContact O-CG2 3.37Å; E648-V652 PolarHBondContact O-N 3.49Å; V652-E654 PolarHBondContact O-N 3.11Å
653	N	72.2	Confident	81.8	Confident	113 Å²	113	66.9 Å²	66.9	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	5.8	176.7	-68.5	-31.9	0	0	0	113.3	S649 E650 L651 A655	S649-N653 WeakPolarHBondContact O-CB 3.32Å; S649-N653 PolarHBondContact O-N 3.33Å; S649-N653 PolarHBondContact O-ND2 2.82Å; E650-N653 CarbonylContact O-C 3.36Å; E650-N653 PolarHBondContact O-N 3.24Å; L651-N653 VanDerWaalsContact C-N 3.31Å; L651-N653 PolarHBondContact O-N 3.46Å; N653-A655 VanDerWaalsContact C-N 3.34Å; N653-A655 PolarHBondContact O-N 3.35Å
654	E	61.6	Low	80.4	Confident	166 Å²	166	74.3 Å²	74.3	78%	0.776	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	51.6	-177	-61.5	-178.2	173.4	0	0	112.2	E650 L651 V652 E656	E650-E654 PolarHBondContact O-N 3.11Å; L651-E654 PolarHBondContact O-N 3.47Å; V652-E654 PolarHBondContact O-N 3.11Å; E654-E656 PolarHBondContact O-N 2.79Å
655	A	65	Low	78.9	Confident	21 Å²	21	75.8 Å²	75.8	17%	0.174	37%	0.374	C	S	.	.			trans	-54	110.9	176.6	0	0	0	0	0	110.4	E650 N653 H657 L658	E650-A655 HydrophobicContact CB-CB 3.88Å; E650-A655 WeakPolarHBondContact O-CB 3.3Å; E650-A655 PolarHBondContact O-N 3.44Å; N653-A655 VanDerWaalsContact C-N 3.34Å; N653-A655 PolarHBondContact O-N 3.35Å; A655-H657 PolarHBondContact O-N 3.25Å; A655-L658 HydrophobicContact CB-CB 3.91Å; A655-L658 PolarHBondContact O-N 2.71Å
656	E	61.8	Low	77.8	Confident	67 Å²	67	73.7 Å²	73.7	31%	0.313	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.6	-169	-66.9	-173.4	-164	0	0	114.3	W209 K212 E654	W209-E656 WeakPolarHBondContact CZ3-OE2 3.2Å; K212-E656 IonicContact NZ-OE1 3Å; K212-E656 PolarHBondContact NZ-OE1 3.36Å; K212-E656 IonicContact NZ-OE2 2.67Å; E654-E656 PolarHBondContact O-N 2.79Å
657	H	71.5	Confident	76.7	Confident	20 Å²	20	74 Å²	74	9%	0.093	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	11.6	-176.5	-50.5	-34.2	0	0	0	113.3	M208 L613 I620 A655	M208-H657 WeakPolarHBondContact CE-CE1 3.35Å; M208-H657 WeakPolarHBondContact CE-NE2 3.44Å; M208-H657 PolarHBondContact SD-CE1 3.43Å; M208-H657 PolarHBondContact SD-NE2 2.84Å; M208-H657 VanDerWaalsContact SD-NE2 3.39Å; L613-H657 HydrophobicContact CD1-CB 3.98Å; L613-H657 WeakPolarHBondContact CD1-O 3.31Å; I620-H657 PolarHBondContact N-O 2.99Å; A655-H657 PolarHBondContact O-N 3.25Å
658	L	84.7	Confident	76	Confident	18 Å²	18	79.5 Å²	79.5	9%	0.094	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.5	175.9	-177.6	68.5	0	0	0	108.8	L613 I620 I622 L647 E650 L651 A655	L613-L658 HydrophobicContact CD1-CB 3.97Å; L613-L658 HydrophobicContact CD1-CD1 4.49Å; L613-L658 HydrophobicContact CD2-CB 4.49Å; I620-L658 HydrophobicContact CB-CD1 4.34Å; I620-L658 HydrophobicContact CG2-CD1 4.25Å; I620-L658 WeakPolarHBondContact O-CA 3.41Å; I622-L658 HydrophobicContact CD1-CD1 4.22Å; I622-L658 HydrophobicContact CG1-CD1 3.62Å; L647-L658 HydrophobicContact CD1-CD1 4.11Å; L647-L658 HydrophobicContact CD1-CD2 3.79Å; L647-L658 HydrophobicContact CD1-CG 4.43Å; E650-L658 HydrophobicContact CB-CD2 3.43Å; E650-L658 VanDerWaalsContact CB-CD2 3.43Å; E650-L658 HydrophobicContact CG-CD2 4.38Å; L651-L658 HydrophobicContact CD2-CD2 3.92Å; L651-L658 HydrophobicContact CD2-CG 4.31Å; L651-L658 HydrophobicContact CG-CD2 4Å; A655-L658 HydrophobicContact CB-CB 3.91Å; A655-L658 PolarHBondContact O-N 2.71Å
659	E	83.5	Confident	75.3	Confident	62 Å²	62	76.2 Å²	76.2	29%	0.29	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.1	173.9	-169.6	-177.4	152.2	0	0	109.7	V619 I620 V621 I622 K691	V619-E659 HydrophobicContact CG1-CB 4.35Å; I620-E659 PolarHBondContact O-N 3.06Å; V621-E659 CarbonylContact C-O 3.53Å; V621-E659 VanDerWaalsContact CA-O 3.31Å; V621-E659 WeakPolarHBondContact CA-O 3.38Å; V621-E659 HydrophobicContact CG1-CB 4.37Å; V621-E659 HydrophobicContact CG2-CB 4.23Å; I622-E659 PolarHBondContact N-O 3.33Å; E659-K691 IonicContact OE1-NZ 2.69Å; E659-K691 PolarHBondContact OE1-NZ 3.33Å
660	L	86.7	Confident	74.6	Confident	63 Å²	63	74.7 Å²	74.7	33%	0.33	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.5	171.7	-179.8	65.7	0	0	0	109.7	I622 V627 L651 Q662	I622-L660 HydrophobicContact CB-CD1 4.13Å; I622-L660 HydrophobicContact CG2-CD1 4.18Å; V627-L660 HydrophobicContact CG2-CD1 3.6Å; L651-L660 HydrophobicContact CD1-CD2 4.19Å; L651-L660 HydrophobicContact CD2-CB 4.22Å; L660-Q662 PolarHBondContact O-N 2.87Å
661	Q	84.5	Confident	73.9	Confident	17 Å²	17	77.5 Å²	77.5	8%	0.079	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-62.7	127.7	174.6	-175.9	-174.9	10.7	0	0	110.6	I622 S623 V665	I622-Q661 PolarHBondContact O-N 3.29Å; S623-Q661 PolarHBondContact OG-OE1 2.93Å; Q661-V665 PolarHBondContact NE2-O 3.1Å
662	Q	76.8	Confident	73.4	Confident	140 Å²	140	83.6 Å²	83.6	65%	0.654	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-70.1	141.2	175.4	-68	-172.2	-17.3	0	0	111.7	L660 D664 V665	L660-Q662 PolarHBondContact O-N 2.87Å; Q662-D664 VanDerWaalsContact C-N 3.32Å; Q662-D664 PolarHBondContact O-N 3.15Å; Q662-V665 HydrophobicContact CB-CG2 4.01Å; Q662-V665 PolarHBondContact O-N 2.93Å
663	R	74.9	Confident	73.2	Confident	149 Å²	149	81.1 Å²	81.1	56%	0.562	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.8	-176.4	-90.2	-180	173.2	176.2	-1	113.5	I624 D628 V665 R666	I624-R663 HydrophobicContact CD1-CG 3.84Å; I624-R663 HydrophobicContact CG1-CG 3.55Å; D628-R663 IonicContact OD1-NH2 2.64Å; D628-R663 PolarHBondContact OD1-NH2 3.44Å; R663-V665 PolarHBondContact O-N 3.42Å; R663-R666 PolarHBondContact O-NE 3.02Å
664	D	66.6	Low	73.1	Confident	157 Å²	157	81.1 Å²	81.1	84%	0.84	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.3	-171.6	-56.3	-40.2	0	0	0	113.1	Q662	Q662-D664 VanDerWaalsContact C-N 3.32Å; Q662-D664 PolarHBondContact O-N 3.15Å
665	V	64.3	Low	73.6	Confident	42 Å²	42	76.5 Å²	76.5	26%	0.255	39%	0.385	S	S	.	.			trans	-116.2	94.1	-174	-152.7	0	0	0	0	111.2	Q661 Q662 R663 Y687	Q661-V665 PolarHBondContact NE2-O 3.1Å; Q662-V665 HydrophobicContact CB-CG2 4.01Å; Q662-V665 PolarHBondContact O-N 2.93Å; R663-V665 PolarHBondContact O-N 3.42Å; V665-Y687 HydrophobicContact CB-CE1 4.26Å; V665-Y687 HydrophobicContact CB-CE2 4.4Å; V665-Y687 HydrophobicContact CG1-CD2 4.06Å; V665-Y687 HydrophobicContact CG1-CE1 3.86Å; V665-Y687 HydrophobicContact CG1-CE2 3.24Å; V665-Y687 WeakPolarHBondContact CG1-OH 3.48Å
666	R	69.9	Low	74.3	Confident	97 Å²	97	77.2 Å²	77.2	37%	0.366	39%	0.389	S	S	.	.			trans	-137	145.9	-177.8	-59.9	-174.9	-177.6	-152	-2	110.9	R663 E680	R663-R666 PolarHBondContact O-NE 3.02Å; R666-E680 IonicContact CZ-OE1 2.71Å; R666-E680 IonicContact NH1-OE1 2.79Å; R666-E680 PolarHBondContact NH1-OE1 3.3Å
667	I	72.4	Confident	75.5	Confident	27 Å²	27	74.9 Å²	74.9	14%	0.138	38%	0.38	C	S	.	.			trans	-101.5	143.7	167.5	-64.8	178.7	0	0	0	108	L669 E683 Y687 Q690	I667-L669 HydrophobicContact CG2-CD2 4.36Å; I667-L669 HydrophobicContact CG2-CG 4.44Å; I667-E683 WeakPolarHBondContact O-CB 3.26Å; I667-E683 VanDerWaalsContact O-CG 3.31Å; I667-E683 WeakPolarHBondContact O-CG 3.39Å; I667-Y687 HydrophobicContact CD1-CD2 4.05Å; I667-Y687 HydrophobicContact CD1-CG 4.46Å; I667-Y687 HydrophobicContact CG1-CD2 3.98Å; I667-Y687 HydrophobicContact CG1-CG 4.45Å; I667-Q690 HydrophobicContact CD1-CB 4.39Å; I667-Q690 HydrophobicContact CD1-CG 3.96Å
668	R	79.9	Confident	76.2	Confident	125 Å²	125	75.5 Å²	75.5	47%	0.472	39%	0.386	S	S	.	.			trans	-108.3	100.9	173.4	-75.4	-84.9	-76	-138.4	-0.7	109.2	P671 E683	R668-P671 PolarHBondContact NH2-O 2.85Å; R668-E683 VanDerWaalsContact CA-OE1 3.31Å; R668-E683 WeakPolarHBondContact CA-OE1 3.26Å
669	L	74.7	Confident	76.3	Confident	42 Å²	42	74.6 Å²	74.6	22%	0.22	38%	0.382	C	S	.	.	S	Bend	trans	-74.8	-37.5	177.8	-74.4	175.2	0	0	0	111.1	I667 P671 V682 E683 A686 H722 L724	I667-L669 HydrophobicContact CG2-CD2 4.36Å; I667-L669 HydrophobicContact CG2-CG 4.44Å; L669-P671 WeakPolarHBondContact O-CD 3.31Å; L669-V682 HydrophobicContact CD1-CG1 4.02Å; L669-E683 HydrophobicContact CB-CG 4.05Å; L669-E683 HydrophobicContact CD1-CG 3.93Å; L669-E683 HydrophobicContact CG-CG 3.9Å; L669-E683 PolarHBondContact N-OE1 3.44Å; L669-A686 HydrophobicContact CD1-CB 4.13Å; L669-A686 HydrophobicContact CD2-CB 4.39Å; L669-A686 HydrophobicContact CG-CB 4.5Å; L669-H722 HydrophobicContact CD1-CB 4.31Å; L669-H722 HydrophobicContact CD2-CB 4.27Å; L669-L724 HydrophobicContact CD1-CD1 4.2Å
670	C	73.8	Confident	76.6	Confident	28 Å²	28	73 Å²	73	19%	0.189	37%	0.374	C	S	.	.			trans	-122.4	83.5	177.8	-72.5	0	0	0	0	110.6	E672 V673 L679 H722	C670-E672 PolarHBondContact O-N 3.38Å; C670-E672 VanDerWaalsContact O-N 3.09Å; C670-V673 HydrophobicContact CB-CB 3.9Å; C670-V673 HydrophobicContact CB-CG2 3.78Å; C670-V673 PolarHBondContact O-N 3.14Å; C670-L679 HydrophobicContact CB-CD2 4.35Å; C670-H722 VanDerWaalsContact SG-CE1 3.52Å; C670-H722 PolarHBondContact SG-NE2 2.89Å
671	P	71.5	Confident	76.7	Confident	87 Å²	87	70.1 Å²	70.1	57%	0.565	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.6	-176.9	-24.9	33.8	0	0	0	114.3	R668 L669	R668-P671 PolarHBondContact NH2-O 2.85Å; L669-P671 WeakPolarHBondContact O-CD 3.31Å
672	E	70.1	Confident	77.1	Confident	196 Å²	196	69.3 Å²	69.3	92%	0.916	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.3	-173.9	-58.8	-179.8	176.4	0	0	114	C670	C670-E672 PolarHBondContact O-N 3.38Å; C670-E672 VanDerWaalsContact O-N 3.09Å
673	V	71.4	Confident	77.7	Confident	67 Å²	67	63 Å²	63	41%	0.406	33%	0.325	S	S	.	.	S	Bend	trans	-96.8	144.4	-173.7	-177.5	0	0	0	0	110.5	C670 L679	C670-V673 HydrophobicContact CB-CB 3.9Å; C670-V673 HydrophobicContact CB-CG2 3.78Å; C670-V673 PolarHBondContact O-N 3.14Å; V673-L679 HydrophobicContact CG1-CD2 4.42Å
674	C	68.9	Low	78.4	Confident	113 Å²	113	56 Å²	56	76%	0.764	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-64.7	135.1	173.5	-164.1	0	0	0	0	110	S676	C674-S676 PolarHBondContact O-N 3.43Å
675	L	72.6	Confident	79.6	Confident	68 Å²	68	48.5 Å²	48.5	36%	0.356	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-60.5	133.7	179.7	-67.4	175.8	0	0	0	110.1	E680	L675-E680 HydrophobicContact CB-CG 4.26Å; L675-E680 HydrophobicContact CD2-CG 3.94Å
676	S	80.7	Confident	80.8	Confident	37 Å²	37	46.8 Å²	46.8	26%	0.259	25%	0.25	S	S	.	.			trans	-133.4	150.4	171.4	68.7	0	0	0	0	108.3	C674 P678 L679 E680	C674-S676 PolarHBondContact O-N 3.43Å; S676-P678 VanDerWaalsContact C-N 3.34Å; S676-L679 WeakPolarHBondContact O-CB 3.28Å; S676-L679 PolarHBondContact O-N 3Å; S676-E680 PolarHBondContact O-N 2.79Å
677	A	85.3	Confident	81.6	Confident	17 Å²	17	44.8 Å²	44.8	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-54.7	-43.3	-176.6	0	0	0	0	0	113.9	T625 E629 L679 E680 M681	T625-A677 HydrophobicContact CG2-CB 3.7Å; E629-A677 VanDerWaalsContact CD-CB 3.41Å; E629-A677 HydrophobicContact CG-CB 4.22Å; E629-A677 VanDerWaalsContact OE1-CB 3.32Å; E629-A677 WeakPolarHBondContact OE1-CB 3.4Å; A677-L679 VanDerWaalsContact C-N 3.34Å; A677-L679 PolarHBondContact O-N 3.05Å; A677-E680 PolarHBondContact O-N 3.13Å; A677-M681 VanDerWaalsContact O-CG 3.31Å; A677-M681 WeakPolarHBondContact O-CG 3.33Å; A677-M681 PolarHBondContact O-N 3.1Å
678	P	86.6	Confident	82.2	Confident	33 Å²	33	43.8 Å²	43.8	21%	0.214	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-40	173.9	-27.2	37.1	0	0	0	114.2	S676 V682 Y714 M715	S676-P678 VanDerWaalsContact C-N 3.34Å; P678-V682 WeakPolarHBondContact O-CG2 3.4Å; P678-V682 PolarHBondContact O-N 2.92Å; P678-Y714 HydrophobicContact CB-CD1 3.73Å; P678-Y714 HydrophobicContact CB-CE1 4.03Å; P678-Y714 HydrophobicContact CG-CD1 4.26Å; P678-M715 HydrophobicContact CB-CG 3.65Å; P678-M715 HydrophobicContact CB-SD 4.24Å
679	L	87.4	Confident	82.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-47.5	178	175	62.1	0	0	0	111.1	C670 V673 S676 A677 M681 V682 E683 L718	C670-L679 HydrophobicContact CB-CD2 4.35Å; V673-L679 HydrophobicContact CG1-CD2 4.42Å; S676-L679 WeakPolarHBondContact O-CB 3.28Å; S676-L679 PolarHBondContact O-N 3Å; A677-L679 VanDerWaalsContact C-N 3.34Å; A677-L679 PolarHBondContact O-N 3.05Å; L679-M681 PolarHBondContact O-N 3Å; L679-V682 PolarHBondContact O-N 3.39Å; L679-V682 VanDerWaalsContact O-N 3.13Å; L679-E683 HydrophobicContact CD1-CG 4.36Å; L679-E683 WeakPolarHBondContact O-CG 3.44Å; L679-E683 PolarHBondContact O-N 2.56Å; L679-L718 HydrophobicContact CB-CD1 4.14Å; L679-L718 HydrophobicContact CD1-CD1 3.91Å; L679-L718 HydrophobicContact CD1-CD2 3.98Å
680	E	88.7	Confident	82.6	Confident	28 Å²	28	43.7 Å²	43.7	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-31.9	-179.8	-69.8	176.3	86.8	0	0	112.2	T625 R666 L675 S676 A677 E683 A684	T625-E680 HydrophobicContact CG2-CB 3.99Å; T625-E680 VanDerWaalsContact OG1-CB 3.3Å; T625-E680 WeakPolarHBondContact OG1-CB 3.43Å; T625-E680 VanDerWaalsContact OG1-CD 3.31Å; T625-E680 PolarHBondContact OG1-OE1 3.34Å; R666-E680 IonicContact CZ-OE1 2.71Å; R666-E680 IonicContact NH1-OE1 2.79Å; R666-E680 PolarHBondContact NH1-OE1 3.3Å; L675-E680 HydrophobicContact CB-CG 4.26Å; L675-E680 HydrophobicContact CD2-CG 3.94Å; S676-E680 PolarHBondContact O-N 2.79Å; A677-E680 PolarHBondContact O-N 3.13Å; E680-E683 PolarHBondContact O-N 2.79Å; E680-A684 WeakPolarHBondContact O-CB 3.48Å; E680-A684 PolarHBondContact O-N 3.21Å
681	M	90.3	Very high	82.5	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-69.1	-39.4	173.7	-74.6	-166.9	78	0	0	113.2	V596 P597 D598 V626 A677 L679 E683 A684 C685 L701	V596-M681 HydrophobicContact CG1-CE 4.07Å; P597-M681 WeakPolarHBondContact O-CE 3Å; D598-M681 HydrophobicContact CB-CE 3.55Å; D598-M681 HydrophobicContact CB-SD 3.39Å; D598-M681 WeakPolarHBondContact CB-SD 3.38Å; V626-M681 HydrophobicContact CG2-CE 4.01Å; V626-M681 HydrophobicContact CG2-CG 4.4Å; V626-M681 HydrophobicContact CG2-SD 4.03Å; A677-M681 VanDerWaalsContact O-CG 3.31Å; A677-M681 WeakPolarHBondContact O-CG 3.33Å; A677-M681 PolarHBondContact O-N 3.1Å; L679-M681 PolarHBondContact O-N 3Å; M681-E683 VanDerWaalsContact C-N 3.33Å; M681-A684 WeakPolarHBondContact O-CB 3.27Å; M681-A684 PolarHBondContact O-N 2.93Å; M681-C685 PolarHBondContact O-N 3.33Å; M681-C685 VanDerWaalsContact O-N 3.07Å; M681-C685 PolarHBondContact O-SG 3.07Å; M681-L701 HydrophobicContact CB-CD1 4.12Å; M681-L701 HydrophobicContact CE-CD1 3.41Å; M681-L701 VanDerWaalsContact CE-CD1 3.41Å; M681-L701 HydrophobicContact SD-CD1 4.43Å
682	V	91.5	Very high	81.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-39.2	173.6	175.3	0	0	0	0	110.2	L669 P678 L679 A684 C685 A686 L701 M715 L718 I719 L724	L669-V682 HydrophobicContact CD1-CG1 4.02Å; P678-V682 WeakPolarHBondContact O-CG2 3.4Å; P678-V682 PolarHBondContact O-N 2.92Å; L679-V682 PolarHBondContact O-N 3.39Å; L679-V682 VanDerWaalsContact O-N 3.13Å; V682-A684 VanDerWaalsContact C-N 3.33Å; V682-A684 PolarHBondContact O-N 3.18Å; V682-C685 WeakPolarHBondContact O-CB 3.38Å; V682-C685 PolarHBondContact O-N 3.11Å; V682-A686 PolarHBondContact O-N 2.91Å; V682-L701 HydrophobicContact CG2-CD2 4Å; V682-M715 HydrophobicContact CG2-CB 4.2Å; V682-M715 HydrophobicContact CG2-CG 4.27Å; V682-L718 HydrophobicContact CB-CB 4.45Å; V682-L718 HydrophobicContact CG1-CB 4.11Å; V682-L718 HydrophobicContact CG2-CB 4.16Å; V682-L718 HydrophobicContact CG2-CD1 4.27Å; V682-I719 HydrophobicContact CG1-CG1 4.06Å; V682-I719 HydrophobicContact CG2-CG1 4.2Å; V682-L724 HydrophobicContact CG1-CD1 3.44Å; V682-L724 VanDerWaalsContact CG1-CD1 3.44Å
683	E	90.5	Very high	81.1	Confident	6 Å²	6	39 Å²	39	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-37.8	172.2	-73	178.4	158.4	0	0	112.2	I667 R668 L669 L679 E680 M681 A686 Y687	I667-E683 WeakPolarHBondContact O-CB 3.26Å; I667-E683 VanDerWaalsContact O-CG 3.31Å; I667-E683 WeakPolarHBondContact O-CG 3.39Å; R668-E683 VanDerWaalsContact CA-OE1 3.31Å; R668-E683 WeakPolarHBondContact CA-OE1 3.26Å; L669-E683 HydrophobicContact CB-CG 4.05Å; L669-E683 HydrophobicContact CD1-CG 3.93Å; L669-E683 HydrophobicContact CG-CG 3.9Å; L669-E683 PolarHBondContact N-OE1 3.44Å; L679-E683 HydrophobicContact CD1-CG 4.36Å; L679-E683 WeakPolarHBondContact O-CG 3.44Å; L679-E683 PolarHBondContact O-N 2.56Å; E680-E683 PolarHBondContact O-N 2.79Å; M681-E683 VanDerWaalsContact C-N 3.33Å; E683-A686 PolarHBondContact O-N 2.64Å; E683-Y687 WeakPolarHBondContact O-CB 3.3Å; E683-Y687 PolarHBondContact O-N 3.33Å
684	A	89.8	Confident	80.9	Confident	3 Å²	3	36.2 Å²	36.2	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-40.4	173.4	0	0	0	0	0	111.8	E680 M681 V682 Y687 L688	E680-A684 WeakPolarHBondContact O-CB 3.48Å; E680-A684 PolarHBondContact O-N 3.21Å; M681-A684 WeakPolarHBondContact O-CB 3.27Å; M681-A684 PolarHBondContact O-N 2.93Å; V682-A684 VanDerWaalsContact C-N 3.33Å; V682-A684 PolarHBondContact O-N 3.18Å; A684-Y687 PolarHBondContact O-N 3.46Å; A684-L688 WeakPolarHBondContact O-CG 3.22Å; A684-L688 PolarHBondContact O-N 2.84Å
685	C	92	Very high	80.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-41.9	174.2	-63.4	0	0	0	0	111.8	M681 V682 Y687 L688 R689 I699 V727	M681-C685 PolarHBondContact O-N 3.33Å; M681-C685 VanDerWaalsContact O-N 3.07Å; M681-C685 PolarHBondContact O-SG 3.07Å; V682-C685 WeakPolarHBondContact O-CB 3.38Å; V682-C685 PolarHBondContact O-N 3.11Å; C685-Y687 VanDerWaalsContact C-N 3.31Å; C685-Y687 PolarHBondContact O-N 3.37Å; C685-L688 PolarHBondContact O-N 3.27Å; C685-R689 PolarHBondContact O-N 3.07Å; C685-R689 VanDerWaalsContact O-N 3.14Å; C685-I699 HydrophobicContact CB-CG2 4.34Å; C685-I699 WeakPolarHBondContact O-CD1 3.3Å; C685-V727 HydrophobicContact CB-CG1 3.87Å; C685-V727 HydrophobicContact CB-CG2 4.16Å
686	A	89.3	Confident	80.2	Confident	6 Å²	6	37.5 Å²	37.5	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-41.9	175.1	0	0	0	0	0	111.3	L669 V682 E683 R689 Q690 L724	L669-A686 HydrophobicContact CD1-CB 4.13Å; L669-A686 HydrophobicContact CD2-CB 4.39Å; L669-A686 HydrophobicContact CG-CB 4.5Å; V682-A686 PolarHBondContact O-N 2.91Å; E683-A686 PolarHBondContact O-N 2.64Å; A686-R689 PolarHBondContact O-N 2.89Å; A686-Q690 PolarHBondContact O-N 2.83Å; A686-L724 HydrophobicContact CB-CD1 4.07Å; A686-L724 HydrophobicContact CB-CD2 3.81Å
687	Y	87.1	Confident	79.6	Confident	55 Å²	55	36.1 Å²	36.1	22%	0.216	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-45	176.4	175.9	-106.3	0	0	0	112.4	V665 I667 E683 A684 C685 R689 Q690 K691	V665-Y687 HydrophobicContact CB-CE1 4.26Å; V665-Y687 HydrophobicContact CB-CE2 4.4Å; V665-Y687 HydrophobicContact CG1-CD2 4.06Å; V665-Y687 HydrophobicContact CG1-CE1 3.86Å; V665-Y687 HydrophobicContact CG1-CE2 3.24Å; V665-Y687 WeakPolarHBondContact CG1-OH 3.48Å; I667-Y687 HydrophobicContact CD1-CD2 4.05Å; I667-Y687 HydrophobicContact CD1-CG 4.46Å; I667-Y687 HydrophobicContact CG1-CD2 3.98Å; I667-Y687 HydrophobicContact CG1-CG 4.45Å; E683-Y687 WeakPolarHBondContact O-CB 3.3Å; E683-Y687 PolarHBondContact O-N 3.33Å; A684-Y687 PolarHBondContact O-N 3.46Å; C685-Y687 VanDerWaalsContact C-N 3.31Å; C685-Y687 PolarHBondContact O-N 3.37Å; Y687-R689 PolarHBondContact O-N 3.23Å; Y687-Q690 PolarHBondContact O-N 3.28Å; Y687-K691 VanDerWaalsContact CE1-CE 3.44Å; Y687-K691 HydrophobicContact CE1-CG 4.43Å; Y687-K691 PolarHBondContact O-N 3.26Å
688	L	84.7	Confident	79.5	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-35.7	175.6	-77.6	169.5	0	0	0	112.7	V596 V621 A684 C685 K691 N694 I699	V596-L688 HydrophobicContact CG2-CD1 3.85Å; V621-L688 HydrophobicContact CB-CD1 3.89Å; V621-L688 HydrophobicContact CG1-CD1 3.92Å; V621-L688 HydrophobicContact CG1-CD2 4.17Å; V621-L688 HydrophobicContact CG1-CG 4.5Å; V621-L688 HydrophobicContact CG2-CD1 3.84Å; V621-L688 HydrophobicContact CG2-CD2 4.06Å; A684-L688 WeakPolarHBondContact O-CG 3.22Å; A684-L688 PolarHBondContact O-N 2.84Å; C685-L688 PolarHBondContact O-N 3.27Å; L688-K691 HydrophobicContact CD2-CD 4.36Å; L688-K691 PolarHBondContact O-N 3.35Å; L688-N694 WeakPolarHBondContact O-CB 3.47Å; L688-N694 PolarHBondContact O-ND2 3.09Å; L688-I699 HydrophobicContact CB-CD1 3.69Å
689	R	83.8	Confident	79.6	Confident	31 Å²	31	35.3 Å²	35.3	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-69.1	-31	174.9	-74.9	-150.8	98	83.4	-1.5	114	C685 A686 Y687 K691 E695 F697 I699 T725 G726 V727	C685-R689 PolarHBondContact O-N 3.07Å; C685-R689 VanDerWaalsContact O-N 3.14Å; A686-R689 PolarHBondContact O-N 2.89Å; Y687-R689 PolarHBondContact O-N 3.23Å; R689-K691 PolarHBondContact O-N 2.81Å; R689-E695 PolarHBondContact NH2-O 3.47Å; R689-F697 PolarHBondContact NH1-O 3.46Å; R689-F697 PolarHBondContact NH2-O 3.42Å; R689-I699 HydrophobicContact CG-CD1 3.61Å; R689-T725 WeakPolarHBondContact CD-O 3.34Å; R689-T725 PolarHBondContact NE-O 3.44Å; R689-T725 PolarHBondContact NH1-O 2.88Å; R689-G726 PolarHBondContact NH1-O 2.73Å; R689-V727 HydrophobicContact CG-CG2 4.27Å
690	Q	79.4	Confident	79.9	Confident	135 Å²	135	35.3 Å²	35.3	63%	0.631	20%	0.195	S	C	*	.	H	α-helix	trans	-76.9	-12.7	179.4	-71.4	-170	2.5	0	0	112.9	I667 A686 Y687	I667-Q690 HydrophobicContact CD1-CB 4.39Å; I667-Q690 HydrophobicContact CD1-CG 3.96Å; A686-Q690 PolarHBondContact O-N 2.83Å; Y687-Q690 PolarHBondContact O-N 3.28Å
691	K	70.8	Confident	80.2	Confident	51 Å²	51	34 Å²	34	22%	0.222	19%	0.189	C	C	.	.	S	Bend	trans	-62.3	131.4	171.9	-68.9	-170	176.3	-170.9	0	109.2	E659 Y687 L688 R689 G693 N694	E659-K691 IonicContact OE1-NZ 2.69Å; E659-K691 PolarHBondContact OE1-NZ 3.33Å; Y687-K691 VanDerWaalsContact CE1-CE 3.44Å; Y687-K691 HydrophobicContact CE1-CG 4.43Å; Y687-K691 PolarHBondContact O-N 3.26Å; L688-K691 HydrophobicContact CD2-CD 4.36Å; L688-K691 PolarHBondContact O-N 3.35Å; R689-K691 PolarHBondContact O-N 2.81Å; K691-G693 PolarHBondContact O-N 3.44Å; K691-N694 HydrophobicContact CB-CB 4.39Å; K691-N694 WeakPolarHBondContact O-CB 3.31Å; K691-N694 PolarHBondContact O-N 3.23Å
692	P	55.8	Low	80.5	Confident	121 Å²	121	34 Å²	34	79%	0.786	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	131.5	179.6	-26.7	33.1	0	0	0	111.9	N694	P692-N694 VanDerWaalsContact C-N 3.29Å; P692-N694 PolarHBondContact O-N 3.48Å
693	G	57.4	Low	80.7	Confident	39 Å²	39	34 Å²	34	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	-17.2	-178.7	0	0	0	0	0	114.6	K691 E695 F697	K691-G693 PolarHBondContact O-N 3.44Å; G693-E695 VanDerWaalsContact C-N 3.33Å; G693-E695 PolarHBondContact O-N 2.88Å; G693-F697 WeakPolarHBondContact O-CE2 3.45Å; G693-F697 VanDerWaalsContact O-CZ 3.25Å; G693-F697 WeakPolarHBondContact O-CZ 3.5Å
694	N	66.9	Low	80.9	Confident	9 Å²	9	37.1 Å²	37.1	5%	0.048	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-82.7	-4.9	179.4	-73.4	-5.9	0	0	0	114.4	F594 L688 K691 P692 S696 F697	F594-N694 HydrophobicContact CE2-CB 4.46Å; F594-N694 WeakPolarHBondContact CZ-ND2 3.41Å; L688-N694 WeakPolarHBondContact O-CB 3.47Å; L688-N694 PolarHBondContact O-ND2 3.09Å; K691-N694 HydrophobicContact CB-CB 4.39Å; K691-N694 WeakPolarHBondContact O-CB 3.31Å; K691-N694 PolarHBondContact O-N 3.23Å; P692-N694 VanDerWaalsContact C-N 3.29Å; P692-N694 PolarHBondContact O-N 3.48Å; N694-S696 PolarHBondContact O-N 3.32Å; N694-S696 VanDerWaalsContact O-N 3.09Å; N694-F697 HydrophobicContact CB-CD2 4.18Å; N694-F697 PolarHBondContact O-N 3.3Å
695	E	63.5	Low	81	Confident	125 Å²	125	40 Å²	40	58%	0.584	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-61.1	-28.9	-173.2	-53.6	100.3	174.9	0	0	112.4	R689 G693	R689-E695 PolarHBondContact NH2-O 3.47Å; G693-E695 VanDerWaalsContact C-N 3.33Å; G693-E695 PolarHBondContact O-N 2.88Å
696	S	61.8	Low	80.8	Confident	83 Å²	83	41.3 Å²	41.3	58%	0.58	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-90.3	-7.5	-176	65.9	0	0	0	0	115.1	N694	N694-S696 PolarHBondContact O-N 3.32Å; N694-S696 VanDerWaalsContact O-N 3.09Å
697	F	69.2	Low	80.6	Confident	9 Å²	9	44.7 Å²	44.7	4%	0.039	26%	0.257	C	S	.	.	S	Bend	trans	-94.1	147.6	-173.6	-54.2	-47.4	0	0	0	113.9	G257 M593 F594 R689 G693 N694	G257-F697 VanDerWaalsContact CA-CZ 3.5Å; G257-F697 WeakPolarHBondContact O-CE1 3.19Å; G257-F697 WeakPolarHBondContact O-CZ 3.45Å; M593-F697 HydrophobicContact CB-CB 3.91Å; M593-F697 HydrophobicContact CB-CG 4.13Å; M593-F697 HydrophobicContact CE-CD1 3.55Å; M593-F697 HydrophobicContact CE-CD2 3.73Å; M593-F697 HydrophobicContact CE-CE1 3.48Å; M593-F697 VanDerWaalsContact CE-CE1 3.48Å; M593-F697 HydrophobicContact CE-CE2 3.61Å; M593-F697 HydrophobicContact CE-CG 3.75Å; M593-F697 HydrophobicContact CE-CZ 3.59Å; M593-F697 HydrophobicContact CG-CG 4.45Å; M593-F697 HydrophobicContact SD-CB 4.17Å; M593-F697 HydrophobicContact SD-CD1 3.95Å; M593-F697 HydrophobicContact SD-CD2 3.3Å; M593-F697 WeakPolarHBondContact SD-CD2 3.43Å; M593-F697 HydrophobicContact SD-CE1 4.33Å; M593-F697 HydrophobicContact SD-CE2 3.69Å; M593-F697 HydrophobicContact SD-CG 3.5Å; M593-F697 WeakPolarHBondContact SD-CG 3.29Å; M593-F697 HydrophobicContact SD-CZ 4.26Å; F594-F697 HydrophobicContact CD2-CB 4.48Å; F594-F697 HydrophobicContact CE2-CB 4.4Å; F594-F697 AromaticContact CE2-CD2 3.91Å; F594-F697 HydrophobicContact CE2-CD2 3.91Å; R689-F697 PolarHBondContact NH1-O 3.46Å; R689-F697 PolarHBondContact NH2-O 3.42Å; G693-F697 WeakPolarHBondContact O-CE2 3.45Å; G693-F697 VanDerWaalsContact O-CZ 3.25Å; G693-F697 WeakPolarHBondContact O-CZ 3.5Å; N694-F697 HydrophobicContact CB-CD2 4.18Å; N694-F697 PolarHBondContact O-N 3.3Å
698	T	82.1	Confident	80.5	Confident	32 Å²	32	44.8 Å²	44.8	20%	0.196	28%	0.275	C	S	.	.			trans	-79.6	131.3	169.2	-58.5	0	0	0	0	109.6	P592 M593 G726 V728	P592-T698 CarbonylContact C-O 3.57Å; P592-T698 VanDerWaalsContact CA-O 3.27Å; P592-T698 WeakPolarHBondContact CA-O 3.36Å; P592-T698 HydrophobicContact CB-CG2 4.26Å; P592-T698 HydrophobicContact CG-CG2 4.02Å; M593-T698 PolarHBondContact N-O 3.38Å; T698-G726 CarbonylContact C-O 3.55Å; T698-G726 VanDerWaalsContact CA-O 3.24Å; T698-G726 WeakPolarHBondContact CA-O 3.33Å; T698-V728 HydrophobicContact CG2-CG1 4.17Å; T698-V728 HydrophobicContact CG2-CG2 3.84Å
699	I	90.3	Very high	80.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.3	173.2	-56.5	-179.6	0	0	0	106.8	F594 V596 C685 L688 R689 G726 V727 V728	F594-I699 HydrophobicContact CB-CB 4.48Å; F594-I699 HydrophobicContact CB-CG1 4.21Å; F594-I699 HydrophobicContact CB-CG2 4.14Å; F594-I699 HydrophobicContact CD2-CG1 4.12Å; V596-I699 HydrophobicContact CG2-CG2 3.75Å; C685-I699 HydrophobicContact CB-CG2 4.34Å; C685-I699 WeakPolarHBondContact O-CD1 3.3Å; L688-I699 HydrophobicContact CB-CD1 3.69Å; R689-I699 HydrophobicContact CG-CD1 3.61Å; I699-G726 PolarHBondContact N-O 2.98Å; I699-V727 HydrophobicContact CB-CG2 4.41Å; I699-V727 CarbonylContact O-C 3.21Å; I699-V727 WeakPolarHBondContact O-CA 3.3Å; I699-V728 PolarHBondContact O-N 3.02Å
700	A	92.9	Very high	80.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.8	172.2	0	0	0	0	0	110.6	P592 F594 L595 V596 L702 V728	P592-A700 HydrophobicContact CB-CB 3.67Å; P592-A700 HydrophobicContact CG-CB 3.62Å; F594-A700 PolarHBondContact O-N 3.36Å; L595-A700 WeakPolarHBondContact CA-O 3.35Å; L595-A700 HydrophobicContact CD2-CB 3.8Å; V596-A700 PolarHBondContact N-O 3.21Å; A700-L702 HydrophobicContact CB-CD2 4.03Å; A700-L702 PolarHBondContact O-N 3Å; A700-V728 CarbonylContact C-O 3.58Å; A700-V728 VanDerWaalsContact CA-O 3.3Å; A700-V728 WeakPolarHBondContact CA-O 3.47Å; A700-V728 HydrophobicContact CB-CG2 3.86Å
701	L	95.7	Very high	81.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.3	167	-178.7	59.2	0	0	0	107.6	V596 M681 V682 M715 I719 V728 L729 R730	V596-L701 HydrophobicContact CB-CD1 4.12Å; V596-L701 HydrophobicContact CG1-CD1 4.05Å; V596-L701 WeakPolarHBondContact O-CD1 3.4Å; M681-L701 HydrophobicContact CB-CD1 4.12Å; M681-L701 HydrophobicContact CE-CD1 3.41Å; M681-L701 VanDerWaalsContact CE-CD1 3.41Å; M681-L701 HydrophobicContact SD-CD1 4.43Å; V682-L701 HydrophobicContact CG2-CD2 4Å; L701-M715 HydrophobicContact CD2-CB 4.33Å; L701-M715 HydrophobicContact CD2-CG 4.45Å; L701-M715 HydrophobicContact CD2-SD 3.79Å; L701-M715 HydrophobicContact CG-SD 4.39Å; L701-I719 HydrophobicContact CD2-CD1 4.28Å; L701-V728 PolarHBondContact N-O 3.14Å; L701-L729 HydrophobicContact CB-CD1 4.12Å; L701-L729 HydrophobicContact CD2-CD1 3.91Å; L701-L729 HydrophobicContact CG-CD1 3.81Å; L701-R730 PolarHBondContact O-N 3.01Å
702	L	96.6	Very high	82.1	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125	-174.5	-60.4	-175.1	0	0	0	110.3	L595 V596 P597 D598 S601 L612 A700 R730 I732 F735	L595-L702 HydrophobicContact CB-CD1 3.88Å; L595-L702 HydrophobicContact CB-CG 4.42Å; L595-L702 HydrophobicContact CD1-CD1 4.04Å; L595-L702 HydrophobicContact CD2-CD1 4.11Å; L595-L702 HydrophobicContact CD2-CG 4.44Å; L595-L702 HydrophobicContact CG-CD1 4.21Å; V596-L702 PolarHBondContact O-N 3.22Å; P597-L702 CarbonylContact C-O 3.5Å; P597-L702 WeakPolarHBondContact CA-O 3.42Å; P597-L702 HydrophobicContact CB-CB 4.45Å; D598-L702 PolarHBondContact N-O 3.31Å; S601-L702 PolarHBondContact OG-O 3.39Å; L612-L702 HydrophobicContact CD1-CD1 4.32Å; A700-L702 HydrophobicContact CB-CD2 4.03Å; A700-L702 PolarHBondContact O-N 3Å; L702-R730 WeakPolarHBondContact CA-O 3.41Å; L702-R730 HydrophobicContact CD2-CB 4Å; L702-I732 HydrophobicContact CB-CB 4.24Å; L702-I732 HydrophobicContact CD1-CD1 4.34Å; L702-I732 HydrophobicContact CD1-CG1 4.21Å; L702-F735 HydrophobicContact CD1-CD1 4.28Å; L702-F735 HydrophobicContact CD2-CB 4.02Å; L702-F735 HydrophobicContact CD2-CD1 3.98Å; L702-F735 HydrophobicContact CD2-CD2 4.39Å; L702-F735 HydrophobicContact CD2-CG 3.84Å
703	T	95.2	Very high	83.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.7	177.1	179.9	0	0	0	0	112.4	D598 S601 H705 F712 M715 L729 R730 N731 I732	D598-T703 WeakPolarHBondContact OD1-CA 3.29Å; D598-T703 WeakPolarHBondContact OD2-CA 3.21Å; D598-T703 WeakPolarHBondContact OD2-CB 3.37Å; D598-T703 PolarHBondContact OD2-OG1 2.98Å; S601-T703 VanDerWaalsContact OG-CA 3.23Å; S601-T703 WeakPolarHBondContact OG-CA 3.42Å; T703-H705 HydrophobicContact CG2-CB 4.43Å; T703-H705 WeakPolarHBondContact CG2-O 3.22Å; T703-H705 PolarHBondContact O-N 2.88Å; T703-H705 PolarHBondContact OG1-CD2 3.13Å; T703-H705 PolarHBondContact OG1-N 2.79Å; T703-F712 HydrophobicContact CG2-CD2 3.58Å; T703-F712 HydrophobicContact CG2-CE2 4.05Å; T703-M715 HydrophobicContact CG2-CE 4.07Å; T703-L729 HydrophobicContact CG2-CD1 3.85Å; T703-R730 PolarHBondContact N-O 3.03Å; T703-N731 CarbonylContact O-C 3.29Å; T703-N731 WeakPolarHBondContact O-CA 3.37Å; T703-I732 PolarHBondContact O-N 3.04Å
704	H	94	Very high	85.5	Confident	72 Å²	72	43.7 Å²	43.7	33%	0.333	27%	0.265	S	S	.	.	S	Bend	trans	-67.3	-27.6	170.5	177	74.1	0	0	0	111.6	D598 A600 S601 H604 N605 N731	D598-H704 PolarHBondContact OD1-N 3.37Å; A600-H704 HydrophobicContact CB-CB 3.75Å; S601-H704 PolarHBondContact OG-N 3.29Å; H604-H704 WeakPolarHBondContact CB-ND1 3.5Å; N605-H704 PolarHBondContact ND2-ND1 3.42Å; H704-N731 PolarHBondContact O-ND2 2.99Å
705	H	92.3	Very high	86.7	Confident	64 Å²	64	43.4 Å²	43.4	30%	0.296	26%	0.264	S	S	.	.	S	Bend	trans	-74.4	140	-175.7	-61.6	-65.1	0	0	0	111.5	T703 A709 F712 N731	T703-H705 HydrophobicContact CG2-CB 4.43Å; T703-H705 WeakPolarHBondContact CG2-O 3.22Å; T703-H705 PolarHBondContact O-N 2.88Å; T703-H705 PolarHBondContact OG1-CD2 3.13Å; T703-H705 PolarHBondContact OG1-N 2.79Å; H705-A709 HydrophobicContact CB-CB 3.89Å; H705-F712 HydrophobicContact CB-CB 4.34Å; H705-F712 VanDerWaalsContact O-CD2 3.32Å; H705-F712 WeakPolarHBondContact O-CD2 3.48Å; H705-N731 VanDerWaalsContact C-ND2 3.25Å; H705-N731 PolarHBondContact O-ND2 3.14Å
706	G	87.6	Confident	88	Confident	27 Å²	27	38.3 Å²	38.3	28%	0.278	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-85.8	168.4	174.2	0	0	0	0	0	112.1	A709 F712	G706-A709 VanDerWaalsContact O-CB 3.26Å; G706-A709 WeakPolarHBondContact O-CB 3.4Å; G706-A709 PolarHBondContact O-N 3.27Å; G706-A709 VanDerWaalsContact O-N 3.15Å; G706-F712 WeakPolarHBondContact O-CB 3.36Å
707	A	86.4	Confident	89.5	Confident	76 Å²	76	40 Å²	40	63%	0.628	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	139.1	170.7	0	0	0	0	0	111.1	F712	A707-F712 HydrophobicContact CB-CD1 4.36Å; A707-F712 HydrophobicContact CB-CE1 4.05Å; A707-F712 HydrophobicContact CB-CZ 4.41Å
708	G	85	Confident	90.5	Very high	57 Å²	57	39.8 Å²	39.8	59%	0.588	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-14.2	-173.1	0	0	0	0	0	115.2	E713	G708-E713 VanDerWaalsContact CA-OE1 3.24Å; G708-E713 WeakPolarHBondContact CA-OE1 3.15Å; G708-E713 PolarHBondContact N-OE1 2.86Å
709	A	89.8	Confident	91	Very high	24 Å²	24	39.1 Å²	39.1	20%	0.198	23%	0.233	C	C	.	.	S	Bend	trans	-75.8	140.1	175	0	0	0	0	0	111.1	H705 G706 F712 E713	H705-A709 HydrophobicContact CB-CB 3.89Å; G706-A709 VanDerWaalsContact O-CB 3.26Å; G706-A709 WeakPolarHBondContact O-CB 3.4Å; G706-A709 PolarHBondContact O-N 3.27Å; G706-A709 VanDerWaalsContact O-N 3.15Å; A709-F712 HydrophobicContact CB-CB 4.31Å; A709-F712 WeakPolarHBondContact O-CA 3.26Å; A709-F712 WeakPolarHBondContact O-CB 3.46Å; A709-F712 PolarHBondContact O-N 2.78Å; A709-E713 PolarHBondContact O-N 2.92Å
710	P	86.9	Confident	91	Very high	108 Å²	108	46.3 Å²	46.3	70%	0.701	27%	0.266	S	S	*	.	H	α-helix	trans	-53.7	-41.1	-176.1	-24.8	31.7	0	0	0	115.5	Y714	P710-Y714 VanDerWaalsContact O-CB 3.3Å; P710-Y714 WeakPolarHBondContact O-CB 3.25Å; P710-Y714 PolarHBondContact O-N 3.37Å
711	P	85.1	Confident	90.8	Very high	42 Å²	42	51.8 Å²	51.8	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-38.9	175.3	-22.6	35	0	0	0	113	Y714 M715	P711-Y714 PolarHBondContact O-N 3.31Å; P711-M715 WeakPolarHBondContact O-CE 3.3Å; P711-M715 WeakPolarHBondContact O-CG 3.49Å; P711-M715 PolarHBondContact O-N 3.46Å; P711-M715 VanDerWaalsContact O-N 3.08Å
712	F	90.6	Very high	90.3	Very high	30 Å²	30	54.2 Å²	54.2	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-50.9	178.7	-169	-78.5	0	0	0	110.5	T703 H705 G706 A707 A709 Y714 M715 G716 L729	T703-F712 HydrophobicContact CG2-CD2 3.58Å; T703-F712 HydrophobicContact CG2-CE2 4.05Å; H705-F712 HydrophobicContact CB-CB 4.34Å; H705-F712 VanDerWaalsContact O-CD2 3.32Å; H705-F712 WeakPolarHBondContact O-CD2 3.48Å; G706-F712 WeakPolarHBondContact O-CB 3.36Å; A707-F712 HydrophobicContact CB-CD1 4.36Å; A707-F712 HydrophobicContact CB-CE1 4.05Å; A707-F712 HydrophobicContact CB-CZ 4.41Å; A709-F712 HydrophobicContact CB-CB 4.31Å; A709-F712 WeakPolarHBondContact O-CA 3.26Å; A709-F712 WeakPolarHBondContact O-CB 3.46Å; A709-F712 PolarHBondContact O-N 2.78Å; F712-Y714 VanDerWaalsContact C-N 3.27Å; F712-Y714 PolarHBondContact O-N 2.86Å; F712-M715 PolarHBondContact O-N 3.4Å; F712-G716 PolarHBondContact O-N 2.86Å; F712-L729 HydrophobicContact CD1-CD2 3.78Å; F712-L729 HydrophobicContact CD2-CD2 3.93Å; F712-L729 HydrophobicContact CD2-CG 4.08Å; F712-L729 HydrophobicContact CE1-CD2 3.82Å; F712-L729 HydrophobicContact CE1-CG 4.26Å; F712-L729 HydrophobicContact CE2-CD2 3.98Å; F712-L729 HydrophobicContact CE2-CG 3.75Å; F712-L729 HydrophobicContact CG-CD2 3.82Å; F712-L729 HydrophobicContact CG-CG 4.46Å; F712-L729 HydrophobicContact CZ-CD2 3.92Å; F712-L729 HydrophobicContact CZ-CG 3.84Å; F712-L729 WeakPolarHBondContact O-CD2 3.39Å
713	E	91.9	Very high	89.8	Confident	91 Å²	91	64.1 Å²	64.1	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-34.3	179	-63.6	-54.8	142.3	0	0	112.4	G708 A709 R717	G708-E713 VanDerWaalsContact CA-OE1 3.24Å; G708-E713 WeakPolarHBondContact CA-OE1 3.15Å; G708-E713 PolarHBondContact N-OE1 2.86Å; A709-E713 PolarHBondContact O-N 2.92Å; E713-R717 WeakPolarHBondContact O-CB 3.25Å; E713-R717 PolarHBondContact O-N 2.97Å
714	Y	90.9	Very high	89.4	Confident	64 Å²	64	65.3 Å²	65.3	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-69.7	-46.8	177.7	-177.1	-127	0	0	0	112.2	P678 P710 P711 F712 R717 L718	P678-Y714 HydrophobicContact CB-CD1 3.73Å; P678-Y714 HydrophobicContact CB-CE1 4.03Å; P678-Y714 HydrophobicContact CG-CD1 4.26Å; P710-Y714 VanDerWaalsContact O-CB 3.3Å; P710-Y714 WeakPolarHBondContact O-CB 3.25Å; P710-Y714 PolarHBondContact O-N 3.37Å; P711-Y714 PolarHBondContact O-N 3.31Å; F712-Y714 VanDerWaalsContact C-N 3.27Å; F712-Y714 PolarHBondContact O-N 2.86Å; Y714-R717 PolarHBondContact O-N 2.9Å; Y714-L718 HydrophobicContact CD1-CD1 4.26Å; Y714-L718 HydrophobicContact CE1-CD1 3.86Å; Y714-L718 HydrophobicContact CE2-CD1 4.22Å; Y714-L718 HydrophobicContact CE2-CD2 4.33Å; Y714-L718 HydrophobicContact CE2-CG 4.17Å; Y714-L718 WeakPolarHBondContact O-CG 3.39Å; Y714-L718 PolarHBondContact O-N 2.89Å
715	M	92.2	Very high	88.8	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.02	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-41.5	175.9	-70.3	-176.2	-72.1	0	0	112.1	P678 V682 L701 T703 P711 F712 R717 L718 I719 L729	P678-M715 HydrophobicContact CB-CG 3.65Å; P678-M715 HydrophobicContact CB-SD 4.24Å; V682-M715 HydrophobicContact CG2-CB 4.2Å; V682-M715 HydrophobicContact CG2-CG 4.27Å; L701-M715 HydrophobicContact CD2-CB 4.33Å; L701-M715 HydrophobicContact CD2-CG 4.45Å; L701-M715 HydrophobicContact CD2-SD 3.79Å; L701-M715 HydrophobicContact CG-SD 4.39Å; T703-M715 HydrophobicContact CG2-CE 4.07Å; P711-M715 WeakPolarHBondContact O-CE 3.3Å; P711-M715 WeakPolarHBondContact O-CG 3.49Å; P711-M715 PolarHBondContact O-N 3.46Å; P711-M715 VanDerWaalsContact O-N 3.08Å; F712-M715 PolarHBondContact O-N 3.4Å; M715-R717 VanDerWaalsContact C-N 3.34Å; M715-R717 PolarHBondContact O-N 3.08Å; M715-L718 PolarHBondContact O-N 3.43Å; M715-I719 WeakPolarHBondContact O-CG1 3.28Å; M715-I719 PolarHBondContact O-N 2.95Å; M715-L729 HydrophobicContact CB-CD1 4.28Å; M715-L729 HydrophobicContact CB-CD2 3.83Å; M715-L729 HydrophobicContact CE-CD1 3.95Å; M715-L729 HydrophobicContact SD-CD1 4.37Å
716	G	92.4	Very high	88.3	Confident	17 Å²	17	65.4 Å²	65.4	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-46.8	176.9	0	0	0	0	0	111.6	F712 L718 I719 E720	F712-G716 PolarHBondContact O-N 2.86Å; G716-L718 PolarHBondContact O-N 3.01Å; G716-I719 PolarHBondContact O-N 3.26Å; G716-E720 PolarHBondContact O-N 3.46Å
717	R	92.5	Very high	88.5	Confident	120 Å²	120	64.6 Å²	64.6	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.5	-161.9	-163.8	-42.5	146.7	12.9	112.6	E713 Y714 M715 I719 E720 E721	E713-R717 WeakPolarHBondContact O-CB 3.25Å; E713-R717 PolarHBondContact O-N 2.97Å; Y714-R717 PolarHBondContact O-N 2.9Å; M715-R717 VanDerWaalsContact C-N 3.34Å; M715-R717 PolarHBondContact O-N 3.08Å; R717-I719 VanDerWaalsContact C-N 3.34Å; R717-I719 PolarHBondContact O-N 3.05Å; R717-E720 PolarHBondContact O-N 3.42Å; R717-E721 WeakPolarHBondContact CD-OE1 3.34Å; R717-E721 HydrophobicContact CG-CG 4.15Å; R717-E721 VanDerWaalsContact CG-OE1 3.31Å; R717-E721 WeakPolarHBondContact CG-OE1 3.36Å; R717-E721 VanDerWaalsContact O-CB 3.29Å; R717-E721 WeakPolarHBondContact O-CB 3.31Å; R717-E721 VanDerWaalsContact O-CG 3.27Å; R717-E721 WeakPolarHBondContact O-CG 3.14Å; R717-E721 PolarHBondContact O-N 3.21Å
718	L	90.7	Very high	88.7	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-41.1	177.1	-73	172.2	0	0	0	112.1	L679 V682 Y714 M715 G716 E720 H722	L679-L718 HydrophobicContact CB-CD1 4.14Å; L679-L718 HydrophobicContact CD1-CD1 3.91Å; L679-L718 HydrophobicContact CD1-CD2 3.98Å; V682-L718 HydrophobicContact CB-CB 4.45Å; V682-L718 HydrophobicContact CG1-CB 4.11Å; V682-L718 HydrophobicContact CG2-CB 4.16Å; V682-L718 HydrophobicContact CG2-CD1 4.27Å; Y714-L718 HydrophobicContact CD1-CD1 4.26Å; Y714-L718 HydrophobicContact CE1-CD1 3.86Å; Y714-L718 HydrophobicContact CE2-CD1 4.22Å; Y714-L718 HydrophobicContact CE2-CD2 4.33Å; Y714-L718 HydrophobicContact CE2-CG 4.17Å; Y714-L718 WeakPolarHBondContact O-CG 3.39Å; Y714-L718 PolarHBondContact O-N 2.89Å; M715-L718 PolarHBondContact O-N 3.43Å; G716-L718 PolarHBondContact O-N 3.01Å; L718-E720 VanDerWaalsContact C-N 3.34Å; L718-H722 WeakPolarHBondContact O-CB 3.45Å; L718-H722 PolarHBondContact O-N 3.05Å; L718-H722 VanDerWaalsContact O-N 3.11Å; L718-H722 PolarHBondContact O-ND1 2.93Å
719	I	91.5	Very high	89.2	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-43.2	176.4	-70.8	164.6	0	0	0	110.6	V682 L701 M715 G716 R717 R723 L724 V727 L729	V682-I719 HydrophobicContact CG1-CG1 4.06Å; V682-I719 HydrophobicContact CG2-CG1 4.2Å; L701-I719 HydrophobicContact CD2-CD1 4.28Å; M715-I719 WeakPolarHBondContact O-CG1 3.28Å; M715-I719 PolarHBondContact O-N 2.95Å; G716-I719 PolarHBondContact O-N 3.26Å; R717-I719 VanDerWaalsContact C-N 3.34Å; R717-I719 PolarHBondContact O-N 3.05Å; I719-R723 PolarHBondContact O-N 2.93Å; I719-R723 VanDerWaalsContact O-N 3.11Å; I719-L724 HydrophobicContact CG2-CB 4.27Å; I719-L724 PolarHBondContact O-N 3.11Å; I719-V727 HydrophobicContact CD1-CG1 3.94Å; I719-V727 HydrophobicContact CG1-CG1 4.21Å; I719-V727 HydrophobicContact CG2-CB 4.41Å; I719-L729 HydrophobicContact CD1-CB 3.97Å
720	E	90.6	Very high	89.4	Confident	151 Å²	151	63.4 Å²	63.4	71%	0.706	32%	0.315	S	S	*	.	H	α-helix	trans	-69.4	-49.2	178.2	-72	179	-179.1	0	0	112.7	G716 R717 L718 H722 R723	G716-E720 PolarHBondContact O-N 3.46Å; R717-E720 PolarHBondContact O-N 3.42Å; L718-E720 VanDerWaalsContact C-N 3.34Å; E720-H722 VanDerWaalsContact C-N 3.27Å; E720-H722 PolarHBondContact O-N 3.25Å; E720-R723 PolarHBondContact O-N 2.89Å
721	E	88.4	Confident	89.7	Confident	115 Å²	115	59 Å²	59	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-57.2	-40.7	179.9	-78.6	173.4	178.4	0	0	111.5	R717 R723	R717-E721 WeakPolarHBondContact CD-OE1 3.34Å; R717-E721 HydrophobicContact CG-CG 4.15Å; R717-E721 VanDerWaalsContact CG-OE1 3.31Å; R717-E721 WeakPolarHBondContact CG-OE1 3.36Å; R717-E721 VanDerWaalsContact O-CB 3.29Å; R717-E721 WeakPolarHBondContact O-CB 3.31Å; R717-E721 VanDerWaalsContact O-CG 3.27Å; R717-E721 WeakPolarHBondContact O-CG 3.14Å; R717-E721 PolarHBondContact O-N 3.21Å; E721-R723 VanDerWaalsContact C-N 3.35Å
722	H	85.2	Confident	90.2	Very high	51 Å²	51	57 Å²	57	24%	0.236	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.3	179.3	-59.6	87.7	0	0	0	113.5	L669 C670 L718 E720 L724	L669-H722 HydrophobicContact CD1-CB 4.31Å; L669-H722 HydrophobicContact CD2-CB 4.27Å; C670-H722 VanDerWaalsContact SG-CE1 3.52Å; C670-H722 PolarHBondContact SG-NE2 2.89Å; L718-H722 WeakPolarHBondContact O-CB 3.45Å; L718-H722 PolarHBondContact O-N 3.05Å; L718-H722 VanDerWaalsContact O-N 3.11Å; L718-H722 PolarHBondContact O-ND1 2.93Å; E720-H722 VanDerWaalsContact C-N 3.27Å; E720-H722 PolarHBondContact O-N 3.25Å; H722-L724 VanDerWaalsContact C-N 3.26Å; H722-L724 HydrophobicContact CB-CD2 4.3Å; H722-L724 HydrophobicContact CB-CG 4.07Å; H722-L724 PolarHBondContact O-N 2.97Å
723	R	86.9	Confident	90.3	Very high	212 Å²	212	61 Å²	61	80%	0.8	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	43.5	176.5	-55.6	-179.6	-178.6	-175.8	-1.2	113	I719 E720 E721 T725	I719-R723 PolarHBondContact O-N 2.93Å; I719-R723 VanDerWaalsContact O-N 3.11Å; E720-R723 PolarHBondContact O-N 2.89Å; E721-R723 VanDerWaalsContact C-N 3.35Å; R723-T725 VanDerWaalsContact C-N 3.25Å; R723-T725 PolarHBondContact O-N 2.82Å
724	L	87	Confident	90.2	Very high	25 Å²	25	61.1 Å²	61.1	13%	0.131	29%	0.291	C	S	.	.			trans	-74.8	77.7	-178.8	-60.4	-179.3	0	0	0	110.8	L669 V682 A686 I719 H722 G726 V727	L669-L724 HydrophobicContact CD1-CD1 4.2Å; V682-L724 HydrophobicContact CG1-CD1 3.44Å; V682-L724 VanDerWaalsContact CG1-CD1 3.44Å; A686-L724 HydrophobicContact CB-CD1 4.07Å; A686-L724 HydrophobicContact CB-CD2 3.81Å; I719-L724 HydrophobicContact CG2-CB 4.27Å; I719-L724 PolarHBondContact O-N 3.11Å; H722-L724 VanDerWaalsContact C-N 3.26Å; H722-L724 HydrophobicContact CB-CD2 4.3Å; H722-L724 HydrophobicContact CB-CG 4.07Å; H722-L724 PolarHBondContact O-N 2.97Å; L724-G726 PolarHBondContact O-N 3.14Å; L724-V727 HydrophobicContact CB-CB 4.16Å; L724-V727 HydrophobicContact CB-CG2 3.92Å; L724-V727 PolarHBondContact O-N 3.28Å; L724-V727 VanDerWaalsContact O-N 3.17Å
725	T	81.6	Confident	90.2	Very high	109 Å²	109	58.6 Å²	58.6	67%	0.669	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	139.4	178.5	57.7	0	0	0	0	111.4	R689 R723 V727	R689-T725 WeakPolarHBondContact CD-O 3.34Å; R689-T725 PolarHBondContact NE-O 3.44Å; R689-T725 PolarHBondContact NH1-O 2.88Å; R723-T725 VanDerWaalsContact C-N 3.25Å; R723-T725 PolarHBondContact O-N 2.82Å; T725-V727 PolarHBondContact O-N 2.84Å
726	G	82.1	Confident	90.1	Very high	28 Å²	28	59.3 Å²	59.3	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	3.9	-179.1	0	0	0	0	0	115.7	R689 T698 I699 L724	R689-G726 PolarHBondContact NH1-O 2.73Å; T698-G726 CarbonylContact C-O 3.55Å; T698-G726 VanDerWaalsContact CA-O 3.24Å; T698-G726 WeakPolarHBondContact CA-O 3.33Å; I699-G726 PolarHBondContact N-O 2.98Å; L724-G726 PolarHBondContact O-N 3.14Å
727	V	90.8	Very high	89.7	Confident	10 Å²	10	62 Å²	62	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.4	165.3	-176	0	0	0	0	107.8	C685 R689 I699 I719 L724 T725	C685-V727 HydrophobicContact CB-CG1 3.87Å; C685-V727 HydrophobicContact CB-CG2 4.16Å; R689-V727 HydrophobicContact CG-CG2 4.27Å; I699-V727 HydrophobicContact CB-CG2 4.41Å; I699-V727 CarbonylContact O-C 3.21Å; I699-V727 WeakPolarHBondContact O-CA 3.3Å; I719-V727 HydrophobicContact CD1-CG1 3.94Å; I719-V727 HydrophobicContact CG1-CG1 4.21Å; I719-V727 HydrophobicContact CG2-CB 4.41Å; L724-V727 HydrophobicContact CB-CB 4.16Å; L724-V727 HydrophobicContact CB-CG2 3.92Å; L724-V727 PolarHBondContact O-N 3.28Å; L724-V727 VanDerWaalsContact O-N 3.17Å; T725-V727 PolarHBondContact O-N 2.84Å
728	V	91.1	Very high	89.1	Confident	52 Å²	52	61.1 Å²	61.1	32%	0.315	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.9	178.6	-62.4	0	0	0	0	109.8	P592 T698 I699 A700 L701 R730	P592-V728 HydrophobicContact CG-CG2 4.43Å; T698-V728 HydrophobicContact CG2-CG1 4.17Å; T698-V728 HydrophobicContact CG2-CG2 3.84Å; I699-V728 PolarHBondContact O-N 3.02Å; A700-V728 CarbonylContact C-O 3.58Å; A700-V728 VanDerWaalsContact CA-O 3.3Å; A700-V728 WeakPolarHBondContact CA-O 3.47Å; A700-V728 HydrophobicContact CB-CG2 3.86Å; L701-V728 PolarHBondContact N-O 3.14Å; V728-R730 HydrophobicContact CG2-CG 4.2Å
729	L	94.4	Very high	88.6	Confident	24 Å²	24	61.6 Å²	61.6	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.1	172.4	178	66	0	0	0	109.3	L701 T703 F712 M715 I719	L701-L729 HydrophobicContact CB-CD1 4.12Å; L701-L729 HydrophobicContact CD2-CD1 3.91Å; L701-L729 HydrophobicContact CG-CD1 3.81Å; T703-L729 HydrophobicContact CG2-CD1 3.85Å; F712-L729 HydrophobicContact CD1-CD2 3.78Å; F712-L729 HydrophobicContact CD2-CD2 3.93Å; F712-L729 HydrophobicContact CD2-CG 4.08Å; F712-L729 HydrophobicContact CE1-CD2 3.82Å; F712-L729 HydrophobicContact CE1-CG 4.26Å; F712-L729 HydrophobicContact CE2-CD2 3.98Å; F712-L729 HydrophobicContact CE2-CG 3.75Å; F712-L729 HydrophobicContact CG-CD2 3.82Å; F712-L729 HydrophobicContact CG-CG 4.46Å; F712-L729 HydrophobicContact CZ-CD2 3.92Å; F712-L729 HydrophobicContact CZ-CG 3.84Å; F712-L729 WeakPolarHBondContact O-CD2 3.39Å; M715-L729 HydrophobicContact CB-CD1 4.28Å; M715-L729 HydrophobicContact CB-CD2 3.83Å; M715-L729 HydrophobicContact CE-CD1 3.95Å; M715-L729 HydrophobicContact SD-CD1 4.37Å; I719-L729 HydrophobicContact CD1-CB 3.97Å
730	R	94	Very high	87.6	Confident	56 Å²	56	62.7 Å²	62.7	21%	0.211	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	-177.2	-61.2	-64.1	-55	-90.2	-3.1	111.2	L701 L702 T703 V728 I732 F735 E738	L701-R730 PolarHBondContact O-N 3.01Å; L702-R730 WeakPolarHBondContact CA-O 3.41Å; L702-R730 HydrophobicContact CD2-CB 4Å; T703-R730 PolarHBondContact N-O 3.03Å; V728-R730 HydrophobicContact CG2-CG 4.2Å; R730-I732 PolarHBondContact O-N 2.86Å; R730-F735 HydrophobicContact CB-CB 4.25Å; R730-F735 HydrophobicContact CG-CD2 4.43Å; R730-E738 IonicContact CZ-OE1 2.76Å; R730-E738 IonicContact CZ-OE2 2.79Å; R730-E738 VanDerWaalsContact CZ-OE2 3.3Å; R730-E738 IonicContact NH1-OE2 3.44Å; R730-E738 PolarHBondContact NH1-OE2 2.62Å; R730-E738 IonicContact NH2-OE1 3.61Å; R730-E738 PolarHBondContact NH2-OE1 3.3Å; R730-E738 IonicContact NH2-OE2 3.55Å; R730-E738 PolarHBondContact NH2-OE2 3.3Å
731	N	94.4	Very high	86.4	Confident	16 Å²	16	60 Å²	60	9%	0.086	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	130.4	162.6	-177.8	-88.2	0	0	0	108.9	T703 H704 H705 K733 E734 F735	T703-N731 CarbonylContact O-C 3.29Å; T703-N731 WeakPolarHBondContact O-CA 3.37Å; H704-N731 PolarHBondContact O-ND2 2.99Å; H705-N731 VanDerWaalsContact C-ND2 3.25Å; H705-N731 PolarHBondContact O-ND2 3.14Å; N731-K733 VanDerWaalsContact C-N 3.28Å; N731-K733 PolarHBondContact O-N 3.11Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.12Å; N731-E734 HydrophobicContact CB-CB 4.16Å; N731-E734 HydrophobicContact CB-CG 3.97Å; N731-E734 PolarHBondContact O-N 3.4Å; N731-E734 PolarHBondContact OD1-N 3.4Å; N731-F735 WeakPolarHBondContact O-CB 3.28Å; N731-F735 PolarHBondContact O-N 3.1Å
732	I	95.6	Very high	85.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-35.4	-175.8	-176.1	167.9	0	0	0	113	N605 M608 V609 L702 T703 R730 F736	N605-I732 HydrophobicContact CB-CD1 4.23Å; N605-I732 HydrophobicContact CB-CG2 3.86Å; N605-I732 WeakPolarHBondContact ND2-CG2 2.92Å; M608-I732 HydrophobicContact CB-CD1 4.38Å; M608-I732 HydrophobicContact CB-CG1 4.46Å; V609-I732 HydrophobicContact CG2-CD1 3.35Å; L702-I732 HydrophobicContact CB-CB 4.24Å; L702-I732 HydrophobicContact CD1-CD1 4.34Å; L702-I732 HydrophobicContact CD1-CG1 4.21Å; T703-I732 PolarHBondContact O-N 3.04Å; R730-I732 PolarHBondContact O-N 2.86Å; I732-F736 WeakPolarHBondContact O-CB 3.22Å; I732-F736 PolarHBondContact O-N 2.96Å
733	K	92.8	Very high	83.9	Confident	114 Å²	114	56.5 Å²	56.5	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-69.8	-46.2	179.7	-179.5	175.9	179.2	-176.5	0	110.9	M608 N731 F735 F736 D737	M608-K733 HydrophobicContact CE-CB 4.23Å; M608-K733 HydrophobicContact CE-CD 4.4Å; M608-K733 HydrophobicContact CE-CG 3.91Å; M608-K733 HydrophobicContact SD-CB 4.24Å; N731-K733 VanDerWaalsContact C-N 3.28Å; N731-K733 PolarHBondContact O-N 3.11Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.12Å; K733-F735 VanDerWaalsContact C-N 3.31Å; K733-F735 PolarHBondContact O-N 3.43Å; K733-F736 PolarHBondContact O-N 2.89Å; K733-D737 WeakPolarHBondContact O-CB 3.38Å; K733-D737 VanDerWaalsContact O-CG 3.26Å; K733-D737 PolarHBondContact O-N 3.38Å
734	E	89.8	Confident	82.3	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-44.5	175.9	-65.8	172.5	-178.2	0	0	111.3	N731 F736 D737 E738	N731-E734 HydrophobicContact CB-CB 4.16Å; N731-E734 HydrophobicContact CB-CG 3.97Å; N731-E734 PolarHBondContact O-N 3.4Å; N731-E734 PolarHBondContact OD1-N 3.4Å; E734-F736 PolarHBondContact O-N 3.1Å; E734-D737 PolarHBondContact O-N 3.38Å; E734-E738 WeakPolarHBondContact O-CB 3.28Å; E734-E738 WeakPolarHBondContact O-CG 3.45Å; E734-E738 PolarHBondContact O-N 3.41Å
735	F	91.3	Very high	80.5	Confident	11 Å²	11	57.4 Å²	57.4	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-44.4	176	-178.4	-97.6	0	0	0	112	P592 L595 L612 F618 L702 R730 N731 K733 W739	P592-F735 HydrophobicContact CG-CE2 3.77Å; P592-F735 HydrophobicContact CG-CZ 4.19Å; L595-F735 HydrophobicContact CD1-CE1 3.94Å; L595-F735 HydrophobicContact CD2-CE1 3.63Å; L595-F735 HydrophobicContact CD2-CE2 4.42Å; L595-F735 HydrophobicContact CD2-CZ 3.58Å; L595-F735 HydrophobicContact CG-CE1 4.45Å; L612-F735 HydrophobicContact CD1-CD1 4.28Å; L612-F735 HydrophobicContact CD1-CE1 4.4Å; L612-F735 HydrophobicContact CD2-CD1 4.5Å; L612-F735 HydrophobicContact CD2-CE1 4.1Å; F618-F735 HydrophobicContact CE1-CE1 4.33Å; F618-F735 AromaticContact CE1-CZ 3.77Å; F618-F735 HydrophobicContact CE1-CZ 3.77Å; F618-F735 HydrophobicContact CE2-CE1 4.37Å; F618-F735 AromaticContact CZ-CE1 3.98Å; F618-F735 HydrophobicContact CZ-CE1 3.98Å; F618-F735 AromaticContact CZ-CZ 3.74Å; F618-F735 HydrophobicContact CZ-CZ 3.74Å; L702-F735 HydrophobicContact CD1-CD1 4.28Å; L702-F735 HydrophobicContact CD2-CB 4.02Å; L702-F735 HydrophobicContact CD2-CD1 3.98Å; L702-F735 HydrophobicContact CD2-CD2 4.39Å; L702-F735 HydrophobicContact CD2-CG 3.84Å; R730-F735 HydrophobicContact CB-CB 4.25Å; R730-F735 HydrophobicContact CG-CD2 4.43Å; N731-F735 WeakPolarHBondContact O-CB 3.28Å; N731-F735 PolarHBondContact O-N 3.1Å; K733-F735 VanDerWaalsContact C-N 3.31Å; K733-F735 PolarHBondContact O-N 3.43Å; F735-W739 WeakPolarHBondContact O-CB 3.45Å; F735-W739 PolarHBondContact O-N 3.21Å
736	F	89.6	Confident	78.7	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.088	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-42.7	179	-175.6	-91.7	0	0	0	112.4	M608 E611 L612 I732 K733 E734 W739 T740	M608-F736 HydrophobicContact CB-CB 4.39Å; M608-F736 HydrophobicContact CB-CD2 3.67Å; M608-F736 HydrophobicContact CB-CE2 4.07Å; M608-F736 HydrophobicContact CB-CG 3.97Å; M608-F736 HydrophobicContact CE-CD1 4.5Å; M608-F736 HydrophobicContact CG-CB 4.3Å; M608-F736 HydrophobicContact CG-CD1 4.02Å; M608-F736 HydrophobicContact CG-CD2 3.94Å; M608-F736 HydrophobicContact CG-CE1 4.34Å; M608-F736 HydrophobicContact CG-CE2 4.27Å; M608-F736 HydrophobicContact CG-CG 3.8Å; M608-F736 HydrophobicContact CG-CZ 4.46Å; M608-F736 HydrophobicContact SD-CB 4.15Å; M608-F736 HydrophobicContact SD-CD1 4.44Å; M608-F736 HydrophobicContact SD-CG 4.23Å; E611-F736 HydrophobicContact CB-CE2 3.78Å; E611-F736 HydrophobicContact CB-CZ 4.18Å; E611-F736 WeakPolarHBondContact OE2-CZ 3.28Å; L612-F736 HydrophobicContact CD1-CD2 4.12Å; L612-F736 HydrophobicContact CD2-CD2 4.12Å; L612-F736 HydrophobicContact CG-CD2 3.88Å; L612-F736 HydrophobicContact CG-CE2 4.33Å; I732-F736 WeakPolarHBondContact O-CB 3.22Å; I732-F736 PolarHBondContact O-N 2.96Å; K733-F736 PolarHBondContact O-N 2.89Å; E734-F736 PolarHBondContact O-N 3.1Å; F736-W739 HydrophobicContact CD2-CE3 4.06Å; F736-W739 HydrophobicContact CD2-CZ3 4.24Å; F736-W739 AromaticContact CE2-CE3 3.93Å; F736-W739 HydrophobicContact CE2-CE3 3.93Å; F736-W739 AromaticContact CE2-CZ3 3.64Å; F736-W739 HydrophobicContact CE2-CZ3 3.64Å; F736-W739 HydrophobicContact CZ-CE3 4.46Å; F736-W739 HydrophobicContact CZ-CZ3 4.07Å; F736-W739 PolarHBondContact O-N 2.83Å; F736-T740 WeakPolarHBondContact CE1-OG1 3.08Å; F736-T740 WeakPolarHBondContact O-CB 3.44Å; F736-T740 PolarHBondContact O-N 3.1Å; F736-T740 PolarHBondContact O-OG1 3.35Å
737	D	84.7	Confident	76.6	Confident	72 Å²	72	60.4 Å²	60.4	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-44.4	178.6	-70.2	-20.7	0	0	0	110.5	K733 E734 T740 I741	K733-D737 WeakPolarHBondContact O-CB 3.38Å; K733-D737 VanDerWaalsContact O-CG 3.26Å; K733-D737 PolarHBondContact O-N 3.38Å; E734-D737 PolarHBondContact O-N 3.38Å; D737-T740 PolarHBondContact O-N 3Å; D737-I741 WeakPolarHBondContact O-CB 3.45Å; D737-I741 VanDerWaalsContact O-CG1 3.26Å; D737-I741 WeakPolarHBondContact O-CG1 3.49Å; D737-I741 PolarHBondContact O-N 3.22Å
738	E	79.7	Confident	75.9	Confident	103 Å²	103	62.9 Å²	62.9	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-45	173.2	-79.3	175.4	-161.2	0	0	112.4	R730 E734 T740 S742	R730-E738 IonicContact CZ-OE1 2.76Å; R730-E738 IonicContact CZ-OE2 2.79Å; R730-E738 VanDerWaalsContact CZ-OE2 3.3Å; R730-E738 IonicContact NH1-OE2 3.44Å; R730-E738 PolarHBondContact NH1-OE2 2.62Å; R730-E738 IonicContact NH2-OE1 3.61Å; R730-E738 PolarHBondContact NH2-OE1 3.3Å; R730-E738 IonicContact NH2-OE2 3.55Å; R730-E738 PolarHBondContact NH2-OE2 3.3Å; E734-E738 WeakPolarHBondContact O-CB 3.28Å; E734-E738 WeakPolarHBondContact O-CG 3.45Å; E734-E738 PolarHBondContact O-N 3.41Å; E738-T740 VanDerWaalsContact C-N 3.34Å; E738-S742 WeakPolarHBondContact O-CB 3.45Å; E738-S742 PolarHBondContact O-N 3.12Å
739	W	79.6	Confident	75.1	Confident	13 Å²	13	63.5 Å²	63.5	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-43.8	176.5	170.1	76.1	0	0	0	111.2	L612 C615 D617 F618 F735 F736 S742 K743	L612-W739 HydrophobicContact CD2-CD2 3.86Å; L612-W739 HydrophobicContact CD2-CE3 3.85Å; L612-W739 HydrophobicContact CD2-CG 4.22Å; L612-W739 HydrophobicContact CD2-CZ3 4.29Å; C615-W739 HydrophobicContact CB-CH2 3.8Å; C615-W739 HydrophobicContact CB-CZ2 3.44Å; C615-W739 VanDerWaalsContact CB-CZ2 3.44Å; C615-W739 WeakPolarHBondContact SG-CZ2 3.37Å; D617-W739 PolarHBondContact OD2-NE1 3Å; F618-W739 AromaticContact CE2-CD1 3.74Å; F618-W739 HydrophobicContact CE2-CG 4.29Å; F618-W739 AromaticContact CE2-NE1 3.69Å; F618-W739 AromaticContact CZ-CD1 3.64Å; F618-W739 HydrophobicContact CZ-CG 4.32Å; F618-W739 AromaticContact CZ-NE1 3.99Å; F735-W739 WeakPolarHBondContact O-CB 3.45Å; F735-W739 PolarHBondContact O-N 3.21Å; F736-W739 HydrophobicContact CD2-CE3 4.06Å; F736-W739 HydrophobicContact CD2-CZ3 4.24Å; F736-W739 AromaticContact CE2-CE3 3.93Å; F736-W739 HydrophobicContact CE2-CE3 3.93Å; F736-W739 AromaticContact CE2-CZ3 3.64Å; F736-W739 HydrophobicContact CE2-CZ3 3.64Å; F736-W739 HydrophobicContact CZ-CE3 4.46Å; F736-W739 HydrophobicContact CZ-CZ3 4.07Å; F736-W739 PolarHBondContact O-N 2.83Å; W739-S742 CarbonylContact O-C 3.48Å; W739-S742 PolarHBondContact O-N 3.41Å; W739-K743 HydrophobicContact CH2-CD 4.2Å; W739-K743 HydrophobicContact CZ2-CD 4.06Å; W739-K743 WeakPolarHBondContact O-CB 3.32Å; W739-K743 PolarHBondContact O-N 3.46Å
740	T	70	Confident	74	Confident	42 Å²	42	65.7 Å²	65.7	26%	0.258	32%	0.323	S	S	.	.	H	α-helix	trans	-66.2	-43.5	-179.9	-57.3	0	0	0	0	112	F736 D737 E738 S742 K743 L744	F736-T740 WeakPolarHBondContact CE1-OG1 3.08Å; F736-T740 WeakPolarHBondContact O-CB 3.44Å; F736-T740 PolarHBondContact O-N 3.1Å; F736-T740 PolarHBondContact O-OG1 3.35Å; D737-T740 PolarHBondContact O-N 3Å; E738-T740 VanDerWaalsContact C-N 3.34Å; T740-S742 VanDerWaalsContact C-N 3.33Å; T740-K743 WeakPolarHBondContact O-CA 3.47Å; T740-K743 VanDerWaalsContact O-CB 3.22Å; T740-K743 WeakPolarHBondContact O-CB 3.12Å; T740-K743 PolarHBondContact O-N 3.04Å; T740-K743 VanDerWaalsContact O-N 3.1Å; T740-L744 HydrophobicContact CG2-CD1 4.23Å; T740-L744 PolarHBondContact O-N 2.64Å
741	I	65.2	Low	72.8	Confident	94 Å²	94	66.2 Å²	66.2	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-46.7	173.9	-68.6	163.9	0	0	0	109.5	D737 K743 L744 E745	D737-I741 WeakPolarHBondContact O-CB 3.45Å; D737-I741 VanDerWaalsContact O-CG1 3.26Å; D737-I741 WeakPolarHBondContact O-CG1 3.49Å; D737-I741 PolarHBondContact O-N 3.22Å; I741-K743 PolarHBondContact O-N 2.83Å; I741-L744 PolarHBondContact O-N 2.99Å; I741-L744 VanDerWaalsContact O-N 3.13Å; I741-E745 HydrophobicContact CG2-CG 4.31Å; I741-E745 WeakPolarHBondContact O-CG 3.42Å; I741-E745 PolarHBondContact O-N 2.96Å
742	S	63.7	Low	71.5	Confident	26 Å²	26	69.4 Å²	69.4	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-22.6	177	-160.1	0	0	0	0	112.4	R591 E738 W739 T740 N746	R591-S742 VanDerWaalsContact NH2-CB 3.29Å; R591-S742 PolarHBondContact NH2-OG 3.42Å; E738-S742 WeakPolarHBondContact O-CB 3.45Å; E738-S742 PolarHBondContact O-N 3.12Å; W739-S742 CarbonylContact O-C 3.48Å; W739-S742 PolarHBondContact O-N 3.41Å; T740-S742 VanDerWaalsContact C-N 3.33Å; S742-N746 WeakPolarHBondContact O-CB 3.45Å; S742-N746 VanDerWaalsContact O-CG 3.25Å; S742-N746 PolarHBondContact O-ND2 3.21Å
743	K	58.1	Low	69.9	Low	66 Å²	66	74 Å²	74	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-73.5	-50.3	171.4	-156	-176.5	178.3	175.7	0	110.9	C203 W739 T740 I741 E745 N746 D747	C203-K743 WeakPolarHBondContact SG-CE 3.42Å; C203-K743 WeakPolarHBondContact SG-CG 3.37Å; W739-K743 HydrophobicContact CH2-CD 4.2Å; W739-K743 HydrophobicContact CZ2-CD 4.06Å; W739-K743 WeakPolarHBondContact O-CB 3.32Å; W739-K743 PolarHBondContact O-N 3.46Å; T740-K743 WeakPolarHBondContact O-CA 3.47Å; T740-K743 VanDerWaalsContact O-CB 3.22Å; T740-K743 WeakPolarHBondContact O-CB 3.12Å; T740-K743 PolarHBondContact O-N 3.04Å; T740-K743 VanDerWaalsContact O-N 3.1Å; I741-K743 PolarHBondContact O-N 2.83Å; K743-E745 VanDerWaalsContact C-N 3.34Å; K743-E745 PolarHBondContact O-N 3.17Å; K743-N746 CarbonylContact O-C 3.53Å; K743-N746 PolarHBondContact O-N 3.2Å; K743-D747 PolarHBondContact O-N 2.75Å
744	L	53.8	Low	68.2	Low	122 Å²	122	71.1 Å²	71.1	64%	0.639	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-32.4	178.9	-75.6	161.3	0	0	0	113.8	T740 I741 N746	T740-L744 HydrophobicContact CG2-CD1 4.23Å; T740-L744 PolarHBondContact O-N 2.64Å; I741-L744 PolarHBondContact O-N 2.99Å; I741-L744 VanDerWaalsContact O-N 3.13Å; L744-N746 PolarHBondContact O-N 3.44Å
745	E	48.1	Very low	66.6	Low	135 Å²	135	69.5 Å²	69.5	63%	0.631	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.2	173.9	-72.7	-177.9	172.6	0	0	113	I741 K743	I741-E745 HydrophobicContact CG2-CG 4.31Å; I741-E745 WeakPolarHBondContact O-CG 3.42Å; I741-E745 PolarHBondContact O-N 2.96Å; K743-E745 VanDerWaalsContact C-N 3.34Å; K743-E745 PolarHBondContact O-N 3.17Å
746	N	44	Very low	64.5	Low	48 Å²	48	74.3 Å²	74.3	26%	0.257	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-3.7	-175.8	-76.7	-41.1	0	0	0	113.8	R584 S742 K743 L744	R584-N746 PolarHBondContact NH2-O 2.87Å; S742-N746 WeakPolarHBondContact O-CB 3.45Å; S742-N746 VanDerWaalsContact O-CG 3.25Å; S742-N746 PolarHBondContact O-ND2 3.21Å; K743-N746 CarbonylContact O-C 3.53Å; K743-N746 PolarHBondContact O-N 3.2Å; L744-N746 PolarHBondContact O-N 3.44Å
747	D	37.8	Very low	62.2	Low	151 Å²	151	79.3 Å²	79.3	81%	0.807	41%	0.405	S	S	*	.			trans	-103	0	169.9	-78.5	-18	0	0	0	109.2	R584 K743	R584-D747 IonicContact NH2-OD1 3.41Å; K743-D747 PolarHBondContact O-N 2.75Å

Retrieved 747 of 747 residues in 470.4 ms (Link to these results)

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