G4VJT4_SCHMA Loading...

OCIA domain-containing protein

AlphaFold DB , UniProt , Accession G4VJT4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 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	33.9	Very low	53.1	Low	243 Å²	243	123.5 Å²	123.5	100%	1.197	68%	0.68	S	S	*	*				0	124	0	-65.7	160.3	176.8	0	0	106.2
2	L	44.7	Very low	55.2	Low	165 Å²	165	123.6 Å²	123.6	86%	0.864	68%	0.679	S	S	*	*			trans	-104	144.7	171.2	-76.3	84.8	0	0	0	108.3
3	S	40.6	Very low	57	Low	69 Å²	69	122 Å²	122	48%	0.483	66%	0.664	S	S	.	*			trans	-75.9	133.3	-178.4	-170.1	0	0	0	0	110.4	N5	S3-N5 PolarHBondContact O-N 3.01Å; S3-N5 VanDerWaalsContact O-N 3.16Å
4	P	57.1	Low	58.5	Low	132 Å²	132	113.4 Å²	113.4	86%	0.857	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-14.7	174.7	-21.3	33.5	0	0	0	114
5	N	53.9	Low	60.1	Low	137 Å²	137	107.7 Å²	107.7	73%	0.733	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	22.6	-170.8	-91.5	9.2	0	0	0	113.8	S3 S7	S3-N5 PolarHBondContact O-N 3.01Å; S3-N5 VanDerWaalsContact O-N 3.16Å; N5-S7 PolarHBondContact O-N 3.39Å
6	D	49.1	Very low	61.6	Low	124 Å²	124	103.3 Å²	103.3	66%	0.663	57%	0.565	S	S	*	*			trans	-70.9	71.7	160.4	-75.8	-33.2	0	0	0	109.3	L8	D6-L8 PolarHBondContact O-N 2.88Å
7	S	48.3	Very low	62.9	Low	94 Å²	94	97.7 Å²	97.7	66%	0.657	54%	0.535	S	S	*	.			trans	-68.4	75.9	163.2	62.3	0	0	0	0	108.3	N5 Q9	N5-S7 PolarHBondContact O-N 3.39Å; S7-Q9 VanDerWaalsContact C-N 3.27Å; S7-Q9 PolarHBondContact O-N 3.29Å
8	L	56.4	Low	64.2	Low	118 Å²	118	96.2 Å²	96.2	62%	0.618	53%	0.525	S	S	*	.			trans	-41	103.7	143.8	-93.2	160.7	0	0	0	106	D6 L10	D6-L8 PolarHBondContact O-N 2.88Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 WeakPolarHBondContact O-CB 3.11Å; L8-L10 PolarHBondContact O-N 3.03Å
9	Q	56.1	Low	65.5	Low	153 Å²	153	99 Å²	99	72%	0.715	53%	0.527	S	S	*	.			trans	-63.9	99.9	-177.9	-74.8	-170.6	4.1	0	0	107.5	S7	S7-Q9 VanDerWaalsContact C-N 3.27Å; S7-Q9 PolarHBondContact O-N 3.29Å
10	L	67.1	Low	66.5	Low	68 Å²	68	99.6 Å²	99.6	36%	0.356	53%	0.525	S	S	.	.			trans	-93.1	101.5	-170.9	-172	65.6	0	0	0	105.2	L8 D12 D14 V15 L18 I92	L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 WeakPolarHBondContact O-CB 3.11Å; L8-L10 PolarHBondContact O-N 3.03Å; L10-D12 PolarHBondContact O-N 3.12Å; L10-D14 HydrophobicContact CD1-CB 3.43Å; L10-D14 VanDerWaalsContact CD1-CB 3.43Å; L10-D14 HydrophobicContact CG-CB 3.89Å; L10-V15 HydrophobicContact CB-CG2 4.34Å; L10-V15 HydrophobicContact CD2-CG2 3.81Å; L10-V15 HydrophobicContact CG-CG2 3.76Å; L10-L18 HydrophobicContact CD1-CD1 3.97Å; L10-L18 HydrophobicContact CD2-CD1 3.82Å; L10-L18 HydrophobicContact CG-CD1 4.36Å; L10-I92 HydrophobicContact CD1-CD1 3.36Å; L10-I92 HydrophobicContact CD1-CG1 4.15Å
11	T	76.3	Confident	67.6	Low	55 Å²	55	95.7 Å²	95.7	34%	0.337	51%	0.506	S	S	.	.			trans	-48.7	141.3	180	-51.3	0	0	0	0	108.8	E13 D14 V15 N89	T11-E13 HydrophobicContact CG2-CB 4.29Å; T11-E13 PolarHBondContact O-N 2.94Å; T11-D14 WeakPolarHBondContact O-CA 3.49Å; T11-D14 VanDerWaalsContact O-CB 3.29Å; T11-D14 WeakPolarHBondContact O-CB 3.49Å; T11-D14 PolarHBondContact O-N 3.09Å; T11-V15 PolarHBondContact O-N 3.22Å; T11-V15 VanDerWaalsContact O-N 3.09Å; T11-N89 WeakPolarHBondContact CB-O 3.44Å; T11-N89 PolarHBondContact OG1-O 3.33Å
12	D	79.1	Confident	70.1	Confident	125 Å²	125	92.7 Å²	92.7	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-52.7	-31.5	-179.3	-83.8	-59.7	0	0	0	112.3	L10 V15 T16	L10-D12 PolarHBondContact O-N 3.12Å; D12-V15 CarbonylContact O-C 3.29Å; D12-V15 WeakPolarHBondContact O-CA 3.2Å; D12-V15 WeakPolarHBondContact O-CB 3.48Å; D12-V15 PolarHBondContact O-N 3.27Å; D12-V15 VanDerWaalsContact O-N 3.13Å; D12-T16 WeakPolarHBondContact O-CG2 3.17Å; D12-T16 PolarHBondContact O-N 3.17Å
13	E	78.6	Confident	72.1	Confident	103 Å²	103	90.9 Å²	90.9	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-35.6	172	-65.2	-60.3	173.5	0	0	115.1	T11 V15 T16 T17 L87	T11-E13 HydrophobicContact CG2-CB 4.29Å; T11-E13 PolarHBondContact O-N 2.94Å; E13-V15 VanDerWaalsContact C-N 3.29Å; E13-T16 PolarHBondContact O-N 3.02Å; E13-T16 PolarHBondContact O-OG1 3.27Å; E13-T16 PolarHBondContact OE2-OG1 2.67Å; E13-T17 VanDerWaalsContact O-CB 3.24Å; E13-T17 WeakPolarHBondContact O-CB 3.09Å; E13-T17 PolarHBondContact O-N 3.23Å; E13-T17 PolarHBondContact O-OG1 3.26Å; E13-L87 HydrophobicContact CB-CD2 3.85Å
14	D	77.7	Confident	74.3	Confident	1 Å²	1	90.9 Å²	90.9	1%	0.005	46%	0.462	C	S	.	.	H	α-helix	trans	-63.5	-40.4	168.4	-69.8	-31.9	0	0	0	110	L10 T11 T17 L18 S90	L10-D14 HydrophobicContact CD1-CB 3.43Å; L10-D14 VanDerWaalsContact CD1-CB 3.43Å; L10-D14 HydrophobicContact CG-CB 3.89Å; T11-D14 WeakPolarHBondContact O-CA 3.49Å; T11-D14 VanDerWaalsContact O-CB 3.29Å; T11-D14 WeakPolarHBondContact O-CB 3.49Å; T11-D14 PolarHBondContact O-N 3.09Å; D14-T17 PolarHBondContact O-N 3.31Å; D14-L18 VanDerWaalsContact O-CB 3.31Å; D14-L18 WeakPolarHBondContact O-CB 3.25Å; D14-L18 VanDerWaalsContact O-CG 3.26Å; D14-L18 WeakPolarHBondContact O-CG 3.46Å; D14-L18 PolarHBondContact O-N 3.41Å; D14-S90 VanDerWaalsContact CG-OG 3.29Å; D14-S90 WeakPolarHBondContact OD1-CB 3.32Å; D14-S90 PolarHBondContact OD1-OG 3.3Å; D14-S90 PolarHBondContact OD2-OG 2.83Å
15	V	81.9	Confident	75.6	Confident	29 Å²	29	84.9 Å²	84.9	18%	0.176	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-42.2	176.4	-164.2	0	0	0	0	111.1	L10 T11 D12 E13 T17 R19	L10-V15 HydrophobicContact CB-CG2 4.34Å; L10-V15 HydrophobicContact CD2-CG2 3.81Å; L10-V15 HydrophobicContact CG-CG2 3.76Å; T11-V15 PolarHBondContact O-N 3.22Å; T11-V15 VanDerWaalsContact O-N 3.09Å; D12-V15 CarbonylContact O-C 3.29Å; D12-V15 WeakPolarHBondContact O-CA 3.2Å; D12-V15 WeakPolarHBondContact O-CB 3.48Å; D12-V15 PolarHBondContact O-N 3.27Å; D12-V15 VanDerWaalsContact O-N 3.13Å; E13-V15 VanDerWaalsContact C-N 3.29Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-R19 VanDerWaalsContact CG1-CZ 3.49Å; V15-R19 WeakPolarHBondContact O-CD 3.4Å; V15-R19 VanDerWaalsContact O-CG 3.22Å; V15-R19 WeakPolarHBondContact O-CG 3.49Å; V15-R19 PolarHBondContact O-N 3.11Å
16	T	85.3	Confident	77.2	Confident	37 Å²	37	82.2 Å²	82.2	23%	0.227	41%	0.405	C	S	.	.	H	α-helix	trans	-64.7	-40.7	175.1	88.8	0	0	0	0	111	D12 E13 R19 K20	D12-T16 WeakPolarHBondContact O-CG2 3.17Å; D12-T16 PolarHBondContact O-N 3.17Å; E13-T16 PolarHBondContact O-N 3.02Å; E13-T16 PolarHBondContact O-OG1 3.27Å; E13-T16 PolarHBondContact OE2-OG1 2.67Å; T16-R19 PolarHBondContact O-N 3.18Å; T16-K20 WeakPolarHBondContact O-CB 3.17Å; T16-K20 WeakPolarHBondContact O-CD 3.45Å; T16-K20 WeakPolarHBondContact O-CG 3.36Å; T16-K20 PolarHBondContact O-N 3.26Å; T16-K20 PolarHBondContact OG1-NZ 3.3Å
17	T	83.8	Confident	79	Confident	8 Å²	8	84.4 Å²	84.4	5%	0.049	41%	0.405	C	S	.	.	H	α-helix	trans	-69.6	-39.8	-179.1	-56.4	0	0	0	0	111.9	E13 D14 V15 R19 K20 C21 M83 F84	E13-T17 VanDerWaalsContact O-CB 3.24Å; E13-T17 WeakPolarHBondContact O-CB 3.09Å; E13-T17 PolarHBondContact O-N 3.23Å; E13-T17 PolarHBondContact O-OG1 3.26Å; D14-T17 PolarHBondContact O-N 3.31Å; V15-T17 VanDerWaalsContact C-N 3.34Å; T17-R19 PolarHBondContact O-N 3.08Å; T17-K20 PolarHBondContact O-N 2.85Å; T17-C21 WeakPolarHBondContact O-CB 3.18Å; T17-C21 PolarHBondContact O-N 2.93Å; T17-M83 HydrophobicContact CG2-CB 4.02Å; T17-F84 HydrophobicContact CG2-CD1 3.84Å; T17-F84 HydrophobicContact CG2-CE1 3.52Å; T17-F84 HydrophobicContact CG2-CE2 4.23Å; T17-F84 HydrophobicContact CG2-CG 4.3Å; T17-F84 HydrophobicContact CG2-CZ 3.71Å
18	L	85.6	Confident	80.9	Confident	70 Å²	70	88.5 Å²	88.5	37%	0.366	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-42.5	170.5	-77.1	166.5	0	0	0	112	L10 D14 R22 F84	L10-L18 HydrophobicContact CD1-CD1 3.97Å; L10-L18 HydrophobicContact CD2-CD1 3.82Å; L10-L18 HydrophobicContact CG-CD1 4.36Å; D14-L18 VanDerWaalsContact O-CB 3.31Å; D14-L18 WeakPolarHBondContact O-CB 3.25Å; D14-L18 VanDerWaalsContact O-CG 3.26Å; D14-L18 WeakPolarHBondContact O-CG 3.46Å; D14-L18 PolarHBondContact O-N 3.41Å; L18-R22 VanDerWaalsContact O-CB 3.22Å; L18-R22 WeakPolarHBondContact O-CB 3.1Å; L18-R22 PolarHBondContact O-N 3.32Å; L18-F84 HydrophobicContact CB-CZ 4.35Å; L18-F84 HydrophobicContact CD2-CE1 4.34Å; L18-F84 HydrophobicContact CD2-CE2 4.27Å; L18-F84 HydrophobicContact CD2-CZ 3.58Å; L18-F84 HydrophobicContact CG-CE1 4Å; L18-F84 HydrophobicContact CG-CZ 3.61Å
19	R	88.1	Confident	82.3	Confident	150 Å²	150	83 Å²	83	57%	0.566	38%	0.378	S	S	*	.	H	α-helix	trans	-62.4	-49.9	175.5	-70.6	166.4	-174.3	157	4.6	111.2	V15 T16 T17 R22 Q23	V15-R19 VanDerWaalsContact CG1-CZ 3.49Å; V15-R19 WeakPolarHBondContact O-CD 3.4Å; V15-R19 VanDerWaalsContact O-CG 3.22Å; V15-R19 WeakPolarHBondContact O-CG 3.49Å; V15-R19 PolarHBondContact O-N 3.11Å; T16-R19 PolarHBondContact O-N 3.18Å; T17-R19 PolarHBondContact O-N 3.08Å; R19-R22 PolarHBondContact O-N 2.88Å; R19-Q23 PolarHBondContact O-N 2.87Å; R19-Q23 VanDerWaalsContact O-N 3.15Å
20	K	87.3	Confident	83.8	Confident	110 Å²	110	75.9 Å²	75.9	48%	0.478	35%	0.345	S	S	.	.	H	α-helix	trans	-57	-53.3	176.7	-69.2	158.7	-176.1	161.3	0	111.1	T16 T17 R22 Q23 I24	T16-K20 WeakPolarHBondContact O-CB 3.17Å; T16-K20 WeakPolarHBondContact O-CD 3.45Å; T16-K20 WeakPolarHBondContact O-CG 3.36Å; T16-K20 PolarHBondContact O-N 3.26Å; T16-K20 PolarHBondContact OG1-NZ 3.3Å; T17-K20 PolarHBondContact O-N 2.85Å; K20-R22 PolarHBondContact O-N 3.35Å; K20-Q23 PolarHBondContact O-N 3.16Å; K20-I24 WeakPolarHBondContact O-CG1 3.31Å; K20-I24 PolarHBondContact O-N 3.03Å
21	C	87.9	Confident	84.9	Confident	19 Å²	19	74.4 Å²	74.4	13%	0.128	34%	0.338	C	S	.	.	H	α-helix	trans	-53.1	-49.6	174.8	164.5	0	0	0	0	112.3	T17 Q23 I24 S25 C80	T17-C21 WeakPolarHBondContact O-CB 3.18Å; T17-C21 PolarHBondContact O-N 2.93Å; C21-Q23 VanDerWaalsContact C-N 3.27Å; C21-Q23 PolarHBondContact O-N 3.46Å; C21-I24 PolarHBondContact O-N 2.99Å; C21-S25 VanDerWaalsContact O-CB 3.27Å; C21-S25 WeakPolarHBondContact O-CB 3.34Å; C21-S25 PolarHBondContact O-N 2.93Å; C21-S25 PolarHBondContact O-OG 2.95Å; C21-C80 HydrophobicContact CB-CB 3.87Å; C21-C80 WeakPolarHBondContact CB-SG 3.37Å; C21-C80 WeakPolarHBondContact SG-CB 3.22Å; C21-C80 CovalentContact SG-SG 2.03Å; C21-C80 PolarHBondContact SG-SG 3.36Å
22	R	86.7	Confident	85.7	Confident	180 Å²	180	75 Å²	75	68%	0.679	34%	0.343	S	S	*	.	H	α-helix	trans	-60.2	-38.4	-177	-173.4	177.3	71.9	163.3	2.7	112	L18 R19 K20 F26 K73	L18-R22 VanDerWaalsContact O-CB 3.22Å; L18-R22 WeakPolarHBondContact O-CB 3.1Å; L18-R22 PolarHBondContact O-N 3.32Å; R19-R22 PolarHBondContact O-N 2.88Å; K20-R22 PolarHBondContact O-N 3.35Å; R22-F26 VanDerWaalsContact O-CB 3.32Å; R22-F26 WeakPolarHBondContact O-CB 3.43Å; R22-F26 PolarHBondContact O-N 3.18Å; R22-K73 PolarHBondContact O-NZ 2.87Å
23	Q	87.4	Confident	86.3	Confident	127 Å²	127	73.5 Å²	73.5	59%	0.593	33%	0.331	S	S	*	.	H	α-helix	trans	-70.9	-49.7	177.3	-176.9	173.2	-10.5	0	0	112	R19 K20 C21 F26 W27	R19-Q23 PolarHBondContact O-N 2.87Å; R19-Q23 VanDerWaalsContact O-N 3.15Å; K20-Q23 PolarHBondContact O-N 3.16Å; C21-Q23 VanDerWaalsContact C-N 3.27Å; C21-Q23 PolarHBondContact O-N 3.46Å; Q23-F26 PolarHBondContact O-N 2.92Å; Q23-W27 PolarHBondContact O-N 3.29Å; Q23-W27 VanDerWaalsContact O-N 3.09Å
24	I	86	Confident	87	Confident	69 Å²	69	69.8 Å²	69.8	35%	0.354	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-49.4	179	-65.3	167.5	0	0	0	110.5	K20 C21 F26 W27 R28 Y76 M83	K20-I24 WeakPolarHBondContact O-CG1 3.31Å; K20-I24 PolarHBondContact O-N 3.03Å; C21-I24 PolarHBondContact O-N 2.99Å; I24-F26 PolarHBondContact O-N 2.92Å; I24-W27 PolarHBondContact O-N 3.39Å; I24-R28 HydrophobicContact CG2-CB 4.5Å; I24-R28 VanDerWaalsContact O-CB 3.28Å; I24-R28 WeakPolarHBondContact O-CB 3.47Å; I24-R28 PolarHBondContact O-N 3.34Å; I24-Y76 HydrophobicContact CG2-CD1 4.26Å; I24-Y76 HydrophobicContact CG2-CE1 4.25Å; I24-M83 HydrophobicContact CD1-CE 4.12Å
25	S	85.2	Confident	87.8	Confident	5 Å²	5	74 Å²	74	4%	0.035	34%	0.338	C	S	.	.	I	π-helix	trans	-63.7	-24.7	178.5	-51.8	0	0	0	0	113.2	C21 G29 S30 Y76 C80	C21-S25 VanDerWaalsContact O-CB 3.27Å; C21-S25 WeakPolarHBondContact O-CB 3.34Å; C21-S25 PolarHBondContact O-N 2.93Å; C21-S25 PolarHBondContact O-OG 2.95Å; S25-G29 WeakPolarHBondContact O-CA 3.36Å; S25-G29 PolarHBondContact O-N 3.42Å; S25-S30 PolarHBondContact O-N 3.47Å; S25-Y76 WeakPolarHBondContact OG-CB 3.4Å; S25-C80 PolarHBondContact OG-SG 3.49Å
26	F	87.6	Confident	88.4	Confident	82 Å²	82	74.1 Å²	74.1	36%	0.36	35%	0.345	S	S	.	.	I	π-helix	trans	-74	-61.5	174.6	-179	-103.6	0	0	0	111	R22 Q23 I24 S30 V31	R22-F26 VanDerWaalsContact O-CB 3.32Å; R22-F26 WeakPolarHBondContact O-CB 3.43Å; R22-F26 PolarHBondContact O-N 3.18Å; Q23-F26 PolarHBondContact O-N 2.92Å; I24-F26 PolarHBondContact O-N 2.92Å; F26-S30 WeakPolarHBondContact CA-OG 3.41Å; F26-S30 WeakPolarHBondContact CD2-OG 3.23Å; F26-S30 PolarHBondContact O-N 3.5Å; F26-S30 PolarHBondContact O-OG 2.9Å; F26-S30 VanDerWaalsContact O-OG 3.07Å; F26-V31 HydrophobicContact CD1-CG2 4.11Å; F26-V31 HydrophobicContact CE1-CG2 3.78Å; F26-V31 HydrophobicContact CE2-CG2 4.36Å; F26-V31 HydrophobicContact CZ-CG2 3.91Å; F26-V31 WeakPolarHBondContact O-CG2 3.42Å; F26-V31 PolarHBondContact O-N 3.18Å
27	W	87.5	Confident	88.8	Confident	170 Å²	170	73.1 Å²	73.1	64%	0.644	34%	0.341	S	S	*	.	I	π-helix	trans	-70.7	-37.9	-173.4	-72.1	108.1	0	0	0	113.9	Q23 I24 V31 P32	Q23-W27 PolarHBondContact O-N 3.29Å; Q23-W27 VanDerWaalsContact O-N 3.09Å; I24-W27 PolarHBondContact O-N 3.39Å; W27-V31 HydrophobicContact CE3-CG2 4.42Å; W27-P32 WeakPolarHBondContact O-CD 3.46Å
28	R	86.9	Confident	89.2	Confident	179 Å²	179	75.9 Å²	75.9	68%	0.675	36%	0.355	S	S	*	.	I	π-helix	trans	-98	-13.7	-175.3	-148.1	-172.9	164.3	105.8	-2.7	113.5	I24 P32 Y76	I24-R28 HydrophobicContact CG2-CB 4.5Å; I24-R28 VanDerWaalsContact O-CB 3.28Å; I24-R28 WeakPolarHBondContact O-CB 3.47Å; I24-R28 PolarHBondContact O-N 3.34Å; R28-P32 WeakPolarHBondContact O-CG 3.46Å; R28-Y76 HydrophobicContact CB-CE1 4.1Å; R28-Y76 VanDerWaalsContact CD-OH 3.25Å; R28-Y76 WeakPolarHBondContact CD-OH 3.35Å; R28-Y76 HydrophobicContact CG-CE1 4.35Å; R28-Y76 WeakPolarHBondContact CG-OH 3.5Å; R28-Y76 PolarHBondContact NE-OH 3.36Å; R28-Y76 WeakPolarHBondContact O-CE2 3.12Å; R28-Y76 PolarHBondContact O-OH 3.49Å
29	G	86	Confident	89.7	Confident	4 Å²	4	77.5 Å²	77.5	4%	0.041	36%	0.363	C	S	.	.	I	π-helix	trans	-112	-79.4	179.9	0	0	0	0	0	113.2	S25 V31 P32 F33 G72 Y76	S25-G29 WeakPolarHBondContact O-CA 3.36Å; S25-G29 PolarHBondContact O-N 3.42Å; G29-V31 PolarHBondContact O-N 2.95Å; G29-P32 WeakPolarHBondContact O-CD 3.31Å; G29-P32 WeakPolarHBondContact O-CG 3.14Å; G29-F33 PolarHBondContact O-N 2.97Å; G29-G72 WeakPolarHBondContact CA-O 3.21Å; G29-Y76 VanDerWaalsContact CA-CD2 3.44Å; G29-Y76 VanDerWaalsContact CA-CE2 3.42Å
30	S	87.9	Confident	89.9	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.014	36%	0.364	C	S	.	.	I	π-helix	trans	-67.3	-31.3	-172.3	54.4	0	0	0	0	115	S25 F26 S34	S25-S30 PolarHBondContact O-N 3.47Å; F26-S30 WeakPolarHBondContact CA-OG 3.41Å; F26-S30 WeakPolarHBondContact CD2-OG 3.23Å; F26-S30 PolarHBondContact O-N 3.5Å; F26-S30 PolarHBondContact O-OG 2.9Å; F26-S30 VanDerWaalsContact O-OG 3.07Å; S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.32Å; S30-S34 PolarHBondContact O-OG 3.33Å
31	V	90.8	Very high	90.1	Very high	37 Å²	37	70.4 Å²	70.4	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-60.4	177.3	169.8	0	0	0	0	112.1	F26 W27 G29 F33 S34 I35	F26-V31 HydrophobicContact CD1-CG2 4.11Å; F26-V31 HydrophobicContact CE1-CG2 3.78Å; F26-V31 HydrophobicContact CE2-CG2 4.36Å; F26-V31 HydrophobicContact CZ-CG2 3.91Å; F26-V31 WeakPolarHBondContact O-CG2 3.42Å; F26-V31 PolarHBondContact O-N 3.18Å; W27-V31 HydrophobicContact CE3-CG2 4.42Å; G29-V31 PolarHBondContact O-N 2.95Å; V31-F33 VanDerWaalsContact C-N 3.32Å; V31-F33 PolarHBondContact O-N 3.41Å; V31-S34 PolarHBondContact O-N 3.5Å; V31-S34 PolarHBondContact O-OG 2.86Å; V31-S34 VanDerWaalsContact O-OG 3.07Å; V31-I35 HydrophobicContact CG1-CD1 3.82Å; V31-I35 WeakPolarHBondContact O-CG1 3.47Å; V31-I35 PolarHBondContact O-N 3.41Å
32	P	92.4	Very high	90.3	Very high	68 Å²	68	71.3 Å²	71.3	44%	0.442	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-37.6	-178.3	22.7	-33.5	0	0	0	112.9	W27 R28 G29 I35 G36	W27-P32 WeakPolarHBondContact O-CD 3.46Å; R28-P32 WeakPolarHBondContact O-CG 3.46Å; G29-P32 WeakPolarHBondContact O-CD 3.31Å; G29-P32 WeakPolarHBondContact O-CG 3.14Å; P32-I35 PolarHBondContact O-N 2.95Å; P32-G36 PolarHBondContact O-N 3.27Å
33	F	92	Very high	90.6	Very high	94 Å²	94	64.5 Å²	64.5	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-73.4	-34.3	-179.6	-167.9	-78.2	0	0	0	112.5	G29 V31 G36 A37 G68 V71	G29-F33 PolarHBondContact O-N 2.97Å; V31-F33 VanDerWaalsContact C-N 3.32Å; V31-F33 PolarHBondContact O-N 3.41Å; F33-G36 PolarHBondContact O-N 2.82Å; F33-A37 WeakPolarHBondContact O-CB 3.27Å; F33-A37 PolarHBondContact O-N 3.31Å; F33-G68 VanDerWaalsContact CD1-O 3.25Å; F33-G68 WeakPolarHBondContact CD1-O 3.41Å; F33-V71 HydrophobicContact CD1-CB 4.08Å; F33-V71 HydrophobicContact CD1-CG1 4.36Å; F33-V71 HydrophobicContact CD2-CG1 4.19Å; F33-V71 HydrophobicContact CE1-CB 3.61Å; F33-V71 HydrophobicContact CE1-CG1 3.87Å; F33-V71 HydrophobicContact CE1-CG2 4.17Å; F33-V71 HydrophobicContact CE2-CB 4.34Å; F33-V71 HydrophobicContact CE2-CG1 3.66Å; F33-V71 HydrophobicContact CZ-CB 3.76Å; F33-V71 HydrophobicContact CZ-CG1 3.49Å; F33-V71 VanDerWaalsContact CZ-CG1 3.49Å; F33-V71 HydrophobicContact CZ-CG2 4.24Å
34	S	92.6	Very high	90.7	Very high	25 Å²	25	59.8 Å²	59.8	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-34.5	172.8	62.2	0	0	0	0	112.9	S30 V31 A37 L38	S30-S34 WeakPolarHBondContact O-CB 3.39Å; S30-S34 PolarHBondContact O-N 3.32Å; S30-S34 PolarHBondContact O-OG 3.33Å; V31-S34 PolarHBondContact O-N 3.5Å; V31-S34 PolarHBondContact O-OG 2.86Å; V31-S34 VanDerWaalsContact O-OG 3.07Å; S34-A37 PolarHBondContact O-N 3.21Å; S34-L38 WeakPolarHBondContact O-CB 3.38Å; S34-L38 WeakPolarHBondContact O-CG 3.25Å; S34-L38 PolarHBondContact O-N 2.9Å
35	I	94.6	Very high	90.9	Very high	88 Å²	88	58 Å²	58	45%	0.451	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-46.2	169.7	-67.5	165.9	0	0	0	110.2	V31 P32 A37 L38 I39	V31-I35 HydrophobicContact CG1-CD1 3.82Å; V31-I35 WeakPolarHBondContact O-CG1 3.47Å; V31-I35 PolarHBondContact O-N 3.41Å; P32-I35 PolarHBondContact O-N 2.95Å; I35-A37 PolarHBondContact O-N 2.94Å; I35-L38 PolarHBondContact O-N 3.47Å; I35-I39 HydrophobicContact CG2-CD1 3.94Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.24Å
36	G	94.7	Very high	91	Very high	32 Å²	32	66.4 Å²	66.4	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-46.5	174.4	0	0	0	0	0	112.8	P32 F33 L38 I39 T40	P32-G36 PolarHBondContact O-N 3.27Å; F33-G36 PolarHBondContact O-N 2.82Å; G36-L38 PolarHBondContact O-N 2.95Å; G36-I39 PolarHBondContact O-N 3.28Å; G36-T40 PolarHBondContact O-N 3.48Å; G36-T40 PolarHBondContact O-OG1 3.29Å; G36-T40 VanDerWaalsContact O-OG1 3.13Å
37	A	93	Very high	91	Very high	17 Å²	17	72.5 Å²	72.5	14%	0.14	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-40.9	176.8	0	0	0	0	0	112.7	F33 S34 I35 T40 V41 G64	F33-A37 WeakPolarHBondContact O-CB 3.27Å; F33-A37 PolarHBondContact O-N 3.31Å; S34-A37 PolarHBondContact O-N 3.21Å; I35-A37 PolarHBondContact O-N 2.94Å; A37-T40 PolarHBondContact O-N 3.4Å; A37-V41 WeakPolarHBondContact O-CG2 3.17Å; A37-V41 PolarHBondContact O-N 2.74Å; A37-G64 VanDerWaalsContact CB-O 3.23Å; A37-G64 WeakPolarHBondContact CB-O 3.26Å
38	L	93.4	Very high	90.7	Very high	65 Å²	65	66 Å²	66	34%	0.34	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-40.9	173.7	-77.7	172.1	0	0	0	112.3	S34 I35 G36 V41 S42 Y61 V65	S34-L38 WeakPolarHBondContact O-CB 3.38Å; S34-L38 WeakPolarHBondContact O-CG 3.25Å; S34-L38 PolarHBondContact O-N 2.9Å; I35-L38 PolarHBondContact O-N 3.47Å; G36-L38 PolarHBondContact O-N 2.95Å; L38-V41 PolarHBondContact O-N 3.13Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 3.26Å; L38-Y61 HydrophobicContact CD2-CD1 3.85Å; L38-V65 HydrophobicContact CD1-CG2 4.05Å; L38-V65 HydrophobicContact CD2-CG2 3.58Å; L38-V65 HydrophobicContact CG-CG2 3.81Å
39	I	95.2	Very high	90.4	Very high	104 Å²	104	67.3 Å²	67.3	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-47.3	174.1	-69	164.8	0	0	0	110	I35 G36 V41 S42 A43	I35-I39 HydrophobicContact CG2-CD1 3.94Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.24Å; G36-I39 PolarHBondContact O-N 3.28Å; I39-V41 PolarHBondContact O-N 2.97Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 PolarHBondContact O-OG 2.94Å; I39-A43 PolarHBondContact O-N 3.49Å
40	T	93.4	Very high	90.1	Very high	96 Å²	96	67.9 Å²	67.9	59%	0.589	36%	0.359	S	S	*	.	H	α-helix	trans	-59.1	-45.1	177	-58	0	0	0	0	112.7	G36 A37 S42 A43 A44	G36-T40 PolarHBondContact O-N 3.48Å; G36-T40 PolarHBondContact O-OG1 3.29Å; G36-T40 VanDerWaalsContact O-OG1 3.13Å; A37-T40 PolarHBondContact O-N 3.4Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.23Å; T40-A43 PolarHBondContact O-N 3.04Å; T40-A44 PolarHBondContact O-N 2.93Å
41	V	92	Very high	89.5	Confident	16 Å²	16	72.2 Å²	72.2	10%	0.097	39%	0.389	C	S	.	.	H	α-helix	trans	-65	-39.8	176	179.5	0	0	0	0	110.8	A37 L38 I39 A43 A44 D45 F50 Y61	A37-V41 WeakPolarHBondContact O-CG2 3.17Å; A37-V41 PolarHBondContact O-N 2.74Å; L38-V41 PolarHBondContact O-N 3.13Å; I39-V41 PolarHBondContact O-N 2.97Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.07Å; V41-A44 PolarHBondContact O-N 2.71Å; V41-D45 WeakPolarHBondContact O-CB 3.31Å; V41-D45 PolarHBondContact O-N 2.98Å; V41-F50 HydrophobicContact CG1-CE2 4.24Å; V41-Y61 HydrophobicContact CB-CD1 4.04Å; V41-Y61 HydrophobicContact CB-CE1 3.99Å; V41-Y61 HydrophobicContact CG1-CD1 3.6Å; V41-Y61 HydrophobicContact CG1-CD2 4.21Å; V41-Y61 HydrophobicContact CG1-CE1 3.58Å; V41-Y61 HydrophobicContact CG1-CE2 4.19Å; V41-Y61 HydrophobicContact CG1-CG 3.92Å
42	S	91.7	Very high	88.8	Confident	37 Å²	37	80.2 Å²	80.2	26%	0.259	42%	0.421	S	S	.	.	H	α-helix	trans	-64.7	-31.5	176.2	83.7	0	0	0	0	113.2	L38 I39 T40 K46	L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 3.26Å; I39-S42 PolarHBondContact O-N 2.89Å; I39-S42 PolarHBondContact O-OG 2.94Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.23Å; S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 3.35Å
43	A	93.2	Very high	88.2	Confident	37 Å²	37	85.6 Å²	85.6	31%	0.306	43%	0.433	S	S	.	.	H	α-helix	trans	-71.3	-47.9	173.1	0	0	0	0	0	110.9	I39 T40 V41 D45 K46 Y47	I39-A43 PolarHBondContact O-N 3.49Å; T40-A43 PolarHBondContact O-N 3.04Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.07Å; A43-D45 VanDerWaalsContact C-N 3.26Å; A43-D45 PolarHBondContact O-N 3.32Å; A43-K46 WeakPolarHBondContact O-CB 3.27Å; A43-K46 PolarHBondContact O-N 2.94Å; A43-K46 VanDerWaalsContact O-N 3.08Å; A43-Y47 HydrophobicContact CB-CE2 4.41Å; A43-Y47 WeakPolarHBondContact O-CD2 3.01Å; A43-Y47 PolarHBondContact O-N 3.34Å
44	A	89.7	Confident	87.7	Confident	29 Å²	29	89.1 Å²	89.1	24%	0.24	45%	0.448	C	S	.	.	H	α-helix	trans	-58.7	-36.9	176.6	0	0	0	0	0	112.7	T40 V41 Y47 G48 W49 F50	T40-A44 PolarHBondContact O-N 2.93Å; V41-A44 PolarHBondContact O-N 2.71Å; A44-Y47 CarbonylContact O-C 3.52Å; A44-Y47 PolarHBondContact O-N 2.91Å; A44-G48 PolarHBondContact O-N 3.47Å; A44-W49 HydrophobicContact CB-CB 4.25Å; A44-W49 WeakPolarHBondContact O-CB 3.45Å; A44-W49 PolarHBondContact O-N 2.74Å; A44-F50 HydrophobicContact CB-CE2 4.4Å
45	D	88.6	Confident	87.3	Confident	32 Å²	32	96.3 Å²	96.3	17%	0.171	48%	0.481	C	S	.	.	H	α-helix	trans	-64.7	-42.4	173.8	-167.4	49.3	0	0	0	112.1	V41 A43 G48 F50 R57 Y61	V41-D45 WeakPolarHBondContact O-CB 3.31Å; V41-D45 PolarHBondContact O-N 2.98Å; A43-D45 VanDerWaalsContact C-N 3.26Å; A43-D45 PolarHBondContact O-N 3.32Å; D45-G48 PolarHBondContact O-N 3.39Å; D45-F50 HydrophobicContact CB-CD2 3.98Å; D45-F50 HydrophobicContact CB-CE2 4.4Å; D45-R57 VanDerWaalsContact CG-NE 3.27Å; D45-R57 WeakPolarHBondContact OD1-CD 3.45Å; D45-R57 IonicContact OD1-CZ 3.9Å; D45-R57 IonicContact OD1-NE 2.93Å; D45-R57 PolarHBondContact OD1-NE 3.35Å; D45-R57 IonicContact OD2-CZ 3.18Å; D45-R57 IonicContact OD2-NE 2.85Å; D45-R57 PolarHBondContact OD2-NE 3.03Å; D45-R57 IonicContact OD2-NH2 2.67Å; D45-R57 PolarHBondContact OD2-NH2 3.41Å; D45-Y61 PolarHBondContact OD2-OH 3.33Å
46	K	87.2	Confident	86.8	Confident	180 Å²	180	96.3 Å²	96.3	78%	0.783	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-35.1	172	-72.8	171.7	-179.2	178.3	0	113.4	S42 A43 G48	S42-K46 WeakPolarHBondContact O-CG 3.33Å; S42-K46 PolarHBondContact O-N 3.35Å; A43-K46 WeakPolarHBondContact O-CB 3.27Å; A43-K46 PolarHBondContact O-N 2.94Å; A43-K46 VanDerWaalsContact O-N 3.08Å; K46-G48 PolarHBondContact O-N 3.36Å
47	Y	87.8	Confident	86.3	Confident	210 Å²	210	100.6 Å²	100.6	82%	0.824	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	2.6	170.6	-71.2	-65	0	0	0	113.3	A43 A44	A43-Y47 HydrophobicContact CB-CE2 4.41Å; A43-Y47 WeakPolarHBondContact O-CD2 3.01Å; A43-Y47 PolarHBondContact O-N 3.34Å; A44-Y47 CarbonylContact O-C 3.52Å; A44-Y47 PolarHBondContact O-N 2.91Å
48	G	81.7	Confident	86.1	Confident	35 Å²	35	105.9 Å²	105.9	36%	0.361	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	11.2	172.5	0	0	0	0	0	115.2	A44 D45 K46 F50 S51	A44-G48 PolarHBondContact O-N 3.47Å; D45-G48 PolarHBondContact O-N 3.39Å; K46-G48 PolarHBondContact O-N 3.36Å; G48-F50 PolarHBondContact O-N 3.14Å; G48-F50 VanDerWaalsContact O-N 3.17Å; G48-S51 WeakPolarHBondContact O-CB 3.42Å; G48-S51 PolarHBondContact O-N 3.16Å
49	W	80.3	Confident	86	Confident	206 Å²	206	105.7 Å²	105.7	78%	0.78	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-38	-177.3	-169.6	-88.8	0	0	0	112.9	A44	A44-W49 HydrophobicContact CB-CB 4.25Å; A44-W49 WeakPolarHBondContact O-CB 3.45Å; A44-W49 PolarHBondContact O-N 2.74Å
50	F	80.9	Confident	85.7	Confident	16 Å²	16	102.1 Å²	102.1	7%	0.07	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1	178.5	-55.9	-70.6	0	0	0	114.6	V41 A44 D45 G48 K52 R53 K54 L56 R57 S60	V41-F50 HydrophobicContact CG1-CE2 4.24Å; A44-F50 HydrophobicContact CB-CE2 4.4Å; D45-F50 HydrophobicContact CB-CD2 3.98Å; D45-F50 HydrophobicContact CB-CE2 4.4Å; G48-F50 PolarHBondContact O-N 3.14Å; G48-F50 VanDerWaalsContact O-N 3.17Å; F50-K52 VanDerWaalsContact C-N 3.32Å; F50-K52 PolarHBondContact O-N 3.32Å; F50-R53 CarbonylContact O-C 3.54Å; F50-R53 PolarHBondContact O-N 3.46Å; F50-K54 PolarHBondContact O-N 3.26Å; F50-L56 HydrophobicContact CD1-CB 4.16Å; F50-R57 HydrophobicContact CB-CB 4.05Å; F50-R57 HydrophobicContact CB-CG 4.32Å; F50-R57 HydrophobicContact CG-CB 4.2Å; F50-R57 HydrophobicContact CG-CG 4.41Å; F50-S60 VanDerWaalsContact CE1-CB 3.49Å; F50-S60 WeakPolarHBondContact CZ-OG 3.24Å
51	S	74.7	Confident	85.7	Confident	92 Å²	92	100.3 Å²	100.3	64%	0.643	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-44.3	-175	-177.3	0	0	0	0	112.6	G48 R53	G48-S51 WeakPolarHBondContact O-CB 3.42Å; G48-S51 PolarHBondContact O-N 3.16Å; S51-R53 VanDerWaalsContact C-N 3.32Å; S51-R53 PolarHBondContact O-N 3.07Å
52	K	75.6	Confident	85.8	Confident	206 Å²	206	104.4 Å²	104.4	90%	0.896	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.4	179.1	-65.1	-175.1	-179.8	-179.7	0	114.4	F50	F50-K52 VanDerWaalsContact C-N 3.32Å; F50-K52 PolarHBondContact O-N 3.32Å
53	R	79.7	Confident	85.9	Confident	181 Å²	181	107.2 Å²	107.2	68%	0.683	51%	0.514	S	S	*	.			trans	-147.7	73.5	-174	-64.2	-171.5	-174.2	-156.7	6.9	111	F50 S51 M55 L56	F50-R53 CarbonylContact O-C 3.54Å; F50-R53 PolarHBondContact O-N 3.46Å; S51-R53 VanDerWaalsContact C-N 3.32Å; S51-R53 PolarHBondContact O-N 3.07Å; R53-M55 PolarHBondContact O-N 2.72Å; R53-L56 HydrophobicContact CB-CB 4.43Å; R53-L56 HydrophobicContact CB-CD1 3.98Å; R53-L56 HydrophobicContact CG-CD1 4.46Å; R53-L56 PolarHBondContact O-N 3.22Å
54	K	80.8	Confident	85.9	Confident	168 Å²	168	105.9 Å²	105.9	73%	0.73	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-51.2	-31.6	-179.4	-64.6	-177.9	-178.9	178.5	0	113.9	F50 L56 R57	F50-K54 PolarHBondContact O-N 3.26Å; K54-L56 PolarHBondContact O-N 3.26Å; K54-R57 WeakPolarHBondContact O-CB 3.35Å; K54-R57 PolarHBondContact O-N 2.95Å; K54-R57 VanDerWaalsContact O-N 3.12Å
55	M	85.2	Confident	86	Confident	176 Å²	176	107.3 Å²	107.3	87%	0.867	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-64.7	-20.9	176	-66.3	-59.6	173.3	0	0	114.6	R53 P59	R53-M55 PolarHBondContact O-N 2.72Å; M55-P59 WeakPolarHBondContact O-CD 3.32Å; M55-P59 WeakPolarHBondContact O-CG 3.38Å
56	L	84	Confident	86.3	Confident	88 Å²	88	108.5 Å²	108.5	46%	0.461	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-85.3	-11.2	174.5	-83.8	160.3	0	0	0	113.6	F50 R53 K54 P59 S60	F50-L56 HydrophobicContact CD1-CB 4.16Å; R53-L56 HydrophobicContact CB-CB 4.43Å; R53-L56 HydrophobicContact CB-CD1 3.98Å; R53-L56 HydrophobicContact CG-CD1 4.46Å; R53-L56 PolarHBondContact O-N 3.22Å; K54-L56 PolarHBondContact O-N 3.26Å; L56-P59 HydrophobicContact CD2-CG 4.34Å; L56-P59 WeakPolarHBondContact O-CD 3.49Å; L56-P59 WeakPolarHBondContact O-CG 3.34Å; L56-S60 VanDerWaalsContact O-CB 3.32Å; L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 3.22Å; L56-S60 VanDerWaalsContact O-N 3.09Å
57	R	85.1	Confident	86.6	Confident	122 Å²	122	104.1 Å²	104.1	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-54.3	179.5	-168.6	178.7	-172.2	-136.3	1.8	111.2	D45 F50 K54 S60 Y61	D45-R57 VanDerWaalsContact CG-NE 3.27Å; D45-R57 WeakPolarHBondContact OD1-CD 3.45Å; D45-R57 IonicContact OD1-CZ 3.9Å; D45-R57 IonicContact OD1-NE 2.93Å; D45-R57 PolarHBondContact OD1-NE 3.35Å; D45-R57 IonicContact OD2-CZ 3.18Å; D45-R57 IonicContact OD2-NE 2.85Å; D45-R57 PolarHBondContact OD2-NE 3.03Å; D45-R57 IonicContact OD2-NH2 2.67Å; D45-R57 PolarHBondContact OD2-NH2 3.41Å; F50-R57 HydrophobicContact CB-CB 4.05Å; F50-R57 HydrophobicContact CB-CG 4.32Å; F50-R57 HydrophobicContact CG-CB 4.2Å; F50-R57 HydrophobicContact CG-CG 4.41Å; K54-R57 WeakPolarHBondContact O-CB 3.35Å; K54-R57 PolarHBondContact O-N 2.95Å; K54-R57 VanDerWaalsContact O-N 3.12Å; R57-S60 PolarHBondContact O-N 2.67Å; R57-Y61 HydrophobicContact CG-CD2 4.42Å; R57-Y61 HydrophobicContact CG-CE2 3.93Å; R57-Y61 WeakPolarHBondContact O-CD2 3.37Å; R57-Y61 PolarHBondContact O-N 3.47Å
58	L	88.2	Confident	86.8	Confident	128 Å²	128	94.1 Å²	94.1	67%	0.67	46%	0.463	S	S	*	.	H	α-helix	trans	-60.6	-53.5	-179.9	-177.7	62	0	0	0	113.6	S60 Y61 I62	L58-S60 PolarHBondContact O-N 3.11Å; L58-Y61 PolarHBondContact O-N 3.41Å; L58-Y61 VanDerWaalsContact O-N 3.11Å; L58-I62 PolarHBondContact O-N 2.79Å
59	P	90.8	Very high	87.3	Confident	61 Å²	61	97.5 Å²	97.5	40%	0.396	47%	0.466	S	S	.	.	H	α-helix	trans	-65	-24.4	178.5	26.3	-35.2	0	0	0	112.9	M55 L56 I62 L63	M55-P59 WeakPolarHBondContact O-CD 3.32Å; M55-P59 WeakPolarHBondContact O-CG 3.38Å; L56-P59 HydrophobicContact CD2-CG 4.34Å; L56-P59 WeakPolarHBondContact O-CD 3.49Å; L56-P59 WeakPolarHBondContact O-CG 3.34Å; P59-I62 PolarHBondContact O-N 3.42Å; P59-L63 VanDerWaalsContact O-CB 3.25Å; P59-L63 WeakPolarHBondContact O-CB 3.36Å; P59-L63 PolarHBondContact O-N 3.1Å
60	S	89.4	Confident	87.8	Confident	28 Å²	28	93.8 Å²	93.8	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-69.4	-33.3	172.5	-167.9	0	0	0	0	113.3	F50 L56 R57 L58 G64	F50-S60 VanDerWaalsContact CE1-CB 3.49Å; F50-S60 WeakPolarHBondContact CZ-OG 3.24Å; L56-S60 VanDerWaalsContact O-CB 3.32Å; L56-S60 WeakPolarHBondContact O-CB 3.5Å; L56-S60 PolarHBondContact O-N 3.22Å; L56-S60 VanDerWaalsContact O-N 3.09Å; R57-S60 PolarHBondContact O-N 2.67Å; L58-S60 PolarHBondContact O-N 3.11Å; S60-G64 PolarHBondContact O-N 2.79Å
61	Y	92.6	Very high	88.3	Confident	58 Å²	58	95.8 Å²	95.8	23%	0.227	47%	0.469	C	S	.	.	H	α-helix	trans	-67.4	-43.2	171.7	-77.7	-73.5	0	0	0	110.9	L38 V41 D45 R57 L58 G64 V65	L38-Y61 HydrophobicContact CD2-CD1 3.85Å; V41-Y61 HydrophobicContact CB-CD1 4.04Å; V41-Y61 HydrophobicContact CB-CE1 3.99Å; V41-Y61 HydrophobicContact CG1-CD1 3.6Å; V41-Y61 HydrophobicContact CG1-CD2 4.21Å; V41-Y61 HydrophobicContact CG1-CE1 3.58Å; V41-Y61 HydrophobicContact CG1-CE2 4.19Å; V41-Y61 HydrophobicContact CG1-CG 3.92Å; D45-Y61 PolarHBondContact OD2-OH 3.33Å; R57-Y61 HydrophobicContact CG-CD2 4.42Å; R57-Y61 HydrophobicContact CG-CE2 3.93Å; R57-Y61 WeakPolarHBondContact O-CD2 3.37Å; R57-Y61 PolarHBondContact O-N 3.47Å; L58-Y61 PolarHBondContact O-N 3.41Å; L58-Y61 VanDerWaalsContact O-N 3.11Å; Y61-G64 PolarHBondContact O-N 3.23Å; Y61-V65 WeakPolarHBondContact O-CG2 3.28Å; Y61-V65 PolarHBondContact O-N 3.26Å
62	I	94.3	Very high	88.9	Confident	102 Å²	102	91.5 Å²	91.5	52%	0.523	44%	0.439	S	S	.	.	H	α-helix	trans	-61	-46.8	175.2	-58.1	-58.2	0	0	0	111.1	L58 P59 G64 V65 T66	L58-I62 PolarHBondContact O-N 2.79Å; P59-I62 PolarHBondContact O-N 3.42Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 3.3Å; I62-V65 PolarHBondContact O-N 2.98Å; I62-V65 VanDerWaalsContact O-N 3.16Å; I62-T66 HydrophobicContact CG2-CG2 4.41Å; I62-T66 WeakPolarHBondContact O-CG2 3.35Å; I62-T66 PolarHBondContact O-N 2.91Å; I62-T66 PolarHBondContact O-OG1 3.19Å
63	L	93.3	Very high	89.5	Confident	96 Å²	96	83.7 Å²	83.7	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-38.9	178.1	-175.5	62.1	0	0	0	112.2	P59 V65 T66 I67	P59-L63 VanDerWaalsContact O-CB 3.25Å; P59-L63 WeakPolarHBondContact O-CB 3.36Å; P59-L63 PolarHBondContact O-N 3.1Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 2.8Å; L63-T66 WeakPolarHBondContact CA-OG1 3.29Å; L63-T66 PolarHBondContact O-N 3.26Å; L63-T66 PolarHBondContact O-OG1 3.39Å; L63-I67 HydrophobicContact CD1-CD1 3.83Å; L63-I67 HydrophobicContact CD1-CG1 4.04Å; L63-I67 HydrophobicContact CD2-CD1 4.49Å; L63-I67 HydrophobicContact CG-CD1 3.8Å; L63-I67 HydrophobicContact CG-CG1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.38Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 2.98Å; L63-I67 PolarHBondContact O-N 3.13Å
64	G	93.1	Very high	89.8	Confident	10 Å²	10	81.1 Å²	81.1	10%	0.103	40%	0.404	C	S	.	.	H	α-helix	trans	-60.6	-41.3	172.2	0	0	0	0	0	112.4	A37 S60 Y61 I62 G68	A37-G64 VanDerWaalsContact CB-O 3.23Å; A37-G64 WeakPolarHBondContact CB-O 3.26Å; S60-G64 PolarHBondContact O-N 2.79Å; Y61-G64 PolarHBondContact O-N 3.23Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 3.3Å; G64-G68 VanDerWaalsContact O-CA 3.31Å; G64-G68 WeakPolarHBondContact O-CA 3.03Å; G64-G68 PolarHBondContact O-N 3.18Å
65	V	92.5	Very high	90	Very high	58 Å²	58	77.4 Å²	77.4	35%	0.352	40%	0.399	S	S	.	.	H	α-helix	trans	-70.7	-39.8	176	173.1	0	0	0	0	112.3	L38 Y61 I62 L63 G68 Y69	L38-V65 HydrophobicContact CD1-CG2 4.05Å; L38-V65 HydrophobicContact CD2-CG2 3.58Å; L38-V65 HydrophobicContact CG-CG2 3.81Å; Y61-V65 WeakPolarHBondContact O-CG2 3.28Å; Y61-V65 PolarHBondContact O-N 3.26Å; I62-V65 PolarHBondContact O-N 2.98Å; I62-V65 VanDerWaalsContact O-N 3.16Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 2.8Å; V65-G68 CarbonylContact O-C 3.18Å; V65-G68 WeakPolarHBondContact O-CA 3.22Å; V65-G68 PolarHBondContact O-N 2.87Å; V65-Y69 WeakPolarHBondContact O-CB 3.32Å; V65-Y69 PolarHBondContact O-N 2.91Å
66	T	94.2	Very high	89.8	Confident	58 Å²	58	71.3 Å²	71.3	36%	0.356	37%	0.367	S	S	.	.	H	α-helix	trans	-71.3	-48.3	-179.9	56.3	0	0	0	0	112	I62 L63 G68 Y69 F70	I62-T66 HydrophobicContact CG2-CG2 4.41Å; I62-T66 WeakPolarHBondContact O-CG2 3.35Å; I62-T66 PolarHBondContact O-N 2.91Å; I62-T66 PolarHBondContact O-OG1 3.19Å; L63-T66 WeakPolarHBondContact CA-OG1 3.29Å; L63-T66 PolarHBondContact O-N 3.26Å; L63-T66 PolarHBondContact O-OG1 3.39Å; T66-G68 PolarHBondContact O-N 3.22Å; T66-Y69 PolarHBondContact O-N 3.15Å; T66-F70 WeakPolarHBondContact O-CD2 3.25Å; T66-F70 PolarHBondContact O-N 3.31Å
67	I	94.3	Very high	89.7	Confident	88 Å²	88	69.6 Å²	69.6	45%	0.451	37%	0.366	S	S	.	.	H	α-helix	trans	-57.1	-41	169.7	-64.7	173	0	0	0	109.2	L63 Y69 F70 V71	L63-I67 HydrophobicContact CD1-CD1 3.83Å; L63-I67 HydrophobicContact CD1-CG1 4.04Å; L63-I67 HydrophobicContact CD2-CD1 4.49Å; L63-I67 HydrophobicContact CG-CD1 3.8Å; L63-I67 HydrophobicContact CG-CG1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.38Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 2.98Å; L63-I67 PolarHBondContact O-N 3.13Å; I67-Y69 PolarHBondContact O-N 3.31Å; I67-F70 PolarHBondContact O-N 3.09Å; I67-V71 HydrophobicContact CG2-CG2 4.05Å; I67-V71 WeakPolarHBondContact O-CG2 3.33Å; I67-V71 PolarHBondContact O-N 3.43Å
68	G	92.2	Very high	89.4	Confident	0 Å²	0	66 Å²	66	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-53.8	-49.5	176.3	0	0	0	0	0	113.3	F33 G64 V65 T66 G72	F33-G68 VanDerWaalsContact CD1-O 3.25Å; F33-G68 WeakPolarHBondContact CD1-O 3.41Å; G64-G68 VanDerWaalsContact O-CA 3.31Å; G64-G68 WeakPolarHBondContact O-CA 3.03Å; G64-G68 PolarHBondContact O-N 3.18Å; V65-G68 CarbonylContact O-C 3.18Å; V65-G68 WeakPolarHBondContact O-CA 3.22Å; V65-G68 PolarHBondContact O-N 2.87Å; T66-G68 PolarHBondContact O-N 3.22Å; G68-G72 PolarHBondContact O-N 3.4Å
69	Y	91.8	Very high	89.2	Confident	105 Å²	105	64 Å²	64	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-66.6	-47.3	177.4	178.5	-98.8	0	0	0	112.4	V65 T66 I67 K73	V65-Y69 WeakPolarHBondContact O-CB 3.32Å; V65-Y69 PolarHBondContact O-N 2.91Å; T66-Y69 PolarHBondContact O-N 3.15Å; I67-Y69 PolarHBondContact O-N 3.31Å; Y69-K73 HydrophobicContact CD1-CG 4.35Å; Y69-K73 HydrophobicContact CD2-CG 4.44Å; Y69-K73 HydrophobicContact CE1-CG 4.06Å; Y69-K73 HydrophobicContact CE2-CG 4.15Å; Y69-K73 WeakPolarHBondContact O-CB 3.27Å; Y69-K73 VanDerWaalsContact O-CG 3.27Å; Y69-K73 WeakPolarHBondContact O-CG 3.28Å; Y69-K73 PolarHBondContact O-N 2.73Å; Y69-K73 WeakPolarHBondContact OH-CE 3.31Å
70	F	92.1	Very high	88.8	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.561	34%	0.338	S	S	*	.	H	α-helix	trans	-65.2	-46.5	-177.4	-78.9	-65.1	0	0	0	112.8	T66 I67 K73 L74	T66-F70 WeakPolarHBondContact O-CD2 3.25Å; T66-F70 PolarHBondContact O-N 3.31Å; I67-F70 PolarHBondContact O-N 3.09Å; F70-K73 PolarHBondContact O-N 3.09Å; F70-L74 WeakPolarHBondContact O-CB 3.4Å; F70-L74 WeakPolarHBondContact O-CG 3.43Å; F70-L74 PolarHBondContact O-N 3.48Å
71	V	90.7	Very high	88.4	Confident	58 Å²	58	63.1 Å²	63.1	35%	0.352	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-43.6	178.7	177.3	0	0	0	0	110.8	F33 I67 K73 L74 S75	F33-V71 HydrophobicContact CD1-CB 4.08Å; F33-V71 HydrophobicContact CD1-CG1 4.36Å; F33-V71 HydrophobicContact CD2-CG1 4.19Å; F33-V71 HydrophobicContact CE1-CB 3.61Å; F33-V71 HydrophobicContact CE1-CG1 3.87Å; F33-V71 HydrophobicContact CE1-CG2 4.17Å; F33-V71 HydrophobicContact CE2-CB 4.34Å; F33-V71 HydrophobicContact CE2-CG1 3.66Å; F33-V71 HydrophobicContact CZ-CB 3.76Å; F33-V71 HydrophobicContact CZ-CG1 3.49Å; F33-V71 VanDerWaalsContact CZ-CG1 3.49Å; F33-V71 HydrophobicContact CZ-CG2 4.24Å; I67-V71 HydrophobicContact CG2-CG2 4.05Å; I67-V71 WeakPolarHBondContact O-CG2 3.33Å; I67-V71 PolarHBondContact O-N 3.43Å; V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 2.03Å; V71-L74 PolarHBondContact O-N 2.85Å; V71-S75 VanDerWaalsContact O-CB 3.31Å; V71-S75 WeakPolarHBondContact O-CB 3.21Å; V71-S75 PolarHBondContact O-N 2.87Å
72	G	88.1	Confident	87.8	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-29.5	176	0	0	0	0	0	114.1	G29 G68	G29-G72 WeakPolarHBondContact CA-O 3.21Å; G68-G72 PolarHBondContact O-N 3.4Å
73	K	86.7	Confident	87.1	Confident	43 Å²	43	65.5 Å²	65.5	19%	0.187	35%	0.346	C	S	.	.	H	α-helix	trans	-74.4	-47.7	172	-77.1	-72.1	-179.8	179.5	0	112.5	R22 Y69 F70 V71 S75 Y76 A77	R22-K73 PolarHBondContact O-NZ 2.87Å; Y69-K73 HydrophobicContact CD1-CG 4.35Å; Y69-K73 HydrophobicContact CD2-CG 4.44Å; Y69-K73 HydrophobicContact CE1-CG 4.06Å; Y69-K73 HydrophobicContact CE2-CG 4.15Å; Y69-K73 WeakPolarHBondContact O-CB 3.27Å; Y69-K73 VanDerWaalsContact O-CG 3.27Å; Y69-K73 WeakPolarHBondContact O-CG 3.28Å; Y69-K73 PolarHBondContact O-N 2.73Å; Y69-K73 WeakPolarHBondContact OH-CE 3.31Å; F70-K73 PolarHBondContact O-N 3.09Å; V71-K73 VanDerWaalsContact C-N 3.28Å; V71-K73 PolarHBondContact O-N 2.03Å; K73-S75 VanDerWaalsContact C-N 3.34Å; K73-S75 PolarHBondContact O-N 3.29Å; K73-Y76 PolarHBondContact O-N 2.8Å; K73-A77 PolarHBondContact O-N 2.88Å
74	L	86	Confident	86.3	Confident	127 Å²	127	61.6 Å²	61.6	67%	0.665	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-39.3	-179.8	-70.8	170.4	0	0	0	111.7	F70 V71 Y76 A77	F70-L74 WeakPolarHBondContact O-CB 3.4Å; F70-L74 WeakPolarHBondContact O-CG 3.43Å; F70-L74 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 2.85Å; L74-Y76 PolarHBondContact O-N 3.39Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 2.87Å; L74-A77 VanDerWaalsContact O-N 3.1Å
75	S	85.5	Confident	85.3	Confident	89 Å²	89	63.9 Å²	63.9	62%	0.622	34%	0.335	S	S	*	.	H	α-helix	trans	-58.2	-31.8	176.5	179.1	0	0	0	0	113.5	V71 K73	V71-S75 VanDerWaalsContact O-CB 3.31Å; V71-S75 WeakPolarHBondContact O-CB 3.21Å; V71-S75 PolarHBondContact O-N 2.87Å; K73-S75 VanDerWaalsContact C-N 3.34Å; K73-S75 PolarHBondContact O-N 3.29Å
76	Y	82	Confident	84.5	Confident	49 Å²	49	68.4 Å²	68.4	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-94	-8.2	177.8	-86.3	-95.4	0	0	0	114.1	I24 S25 R28 G29 K73 L74 G78 E79 C80	I24-Y76 HydrophobicContact CG2-CD1 4.26Å; I24-Y76 HydrophobicContact CG2-CE1 4.25Å; S25-Y76 WeakPolarHBondContact OG-CB 3.4Å; R28-Y76 HydrophobicContact CB-CE1 4.1Å; R28-Y76 VanDerWaalsContact CD-OH 3.25Å; R28-Y76 WeakPolarHBondContact CD-OH 3.35Å; R28-Y76 HydrophobicContact CG-CE1 4.35Å; R28-Y76 WeakPolarHBondContact CG-OH 3.5Å; R28-Y76 PolarHBondContact NE-OH 3.36Å; R28-Y76 WeakPolarHBondContact O-CE2 3.12Å; R28-Y76 PolarHBondContact O-OH 3.49Å; G29-Y76 VanDerWaalsContact CA-CD2 3.44Å; G29-Y76 VanDerWaalsContact CA-CE2 3.42Å; K73-Y76 PolarHBondContact O-N 2.8Å; L74-Y76 PolarHBondContact O-N 3.39Å; Y76-G78 VanDerWaalsContact C-N 3.29Å; Y76-G78 PolarHBondContact O-N 2.97Å; Y76-E79 PolarHBondContact O-N 3.39Å; Y76-E79 VanDerWaalsContact O-N 3.16Å; Y76-C80 PolarHBondContact O-N 2.91Å
77	A	80.8	Confident	83.5	Confident	52 Å²	52	67.6 Å²	67.6	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-37.7	-179.8	0	0	0	0	0	112.4	K73 L74 C80 K81	K73-A77 PolarHBondContact O-N 2.88Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 2.87Å; L74-A77 VanDerWaalsContact O-N 3.1Å; A77-C80 PolarHBondContact O-N 3.5Å; A77-K81 WeakPolarHBondContact O-CB 3.31Å; A77-K81 PolarHBondContact O-N 2.97Å
78	G	79.3	Confident	81.8	Confident	46 Å²	46	69.9 Å²	69.9	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-36.9	175.7	0	0	0	0	0	113.7	Y76 K81 R82	Y76-G78 VanDerWaalsContact C-N 3.29Å; Y76-G78 PolarHBondContact O-N 2.97Å; G78-K81 PolarHBondContact O-N 3.16Å; G78-R82 PolarHBondContact O-N 3.3Å; G78-R82 VanDerWaalsContact O-N 3.16Å
79	E	82.7	Confident	80.3	Confident	85 Å²	85	76 Å²	76	40%	0.397	39%	0.391	S	S	.	.	H	α-helix	trans	-75.8	-36.5	178.1	-162.6	62.5	-165.4	0	0	111.4	Y76 K81 R82 M83	Y76-E79 PolarHBondContact O-N 3.39Å; Y76-E79 VanDerWaalsContact O-N 3.16Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.33Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.18Å; E79-R82 VanDerWaalsContact OE2-CD 3.26Å; E79-R82 WeakPolarHBondContact OE2-CD 3.21Å; E79-R82 IonicContact OE2-CZ 3.61Å; E79-R82 IonicContact OE2-NE 3.72Å; E79-R82 IonicContact OE2-NH1 2.72Å; E79-R82 PolarHBondContact OE2-NH1 3.26Å; E79-M83 PolarHBondContact O-N 3.17Å
80	C	83.1	Confident	78.8	Confident	10 Å²	10	71.2 Å²	71.2	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-42.8	167.5	-69.9	0	0	0	0	112.2	C21 S25 Y76 A77 R82 M83 F84	C21-C80 HydrophobicContact CB-CB 3.87Å; C21-C80 WeakPolarHBondContact CB-SG 3.37Å; C21-C80 WeakPolarHBondContact SG-CB 3.22Å; C21-C80 CovalentContact SG-SG 2.03Å; C21-C80 PolarHBondContact SG-SG 3.36Å; S25-C80 PolarHBondContact OG-SG 3.49Å; Y76-C80 PolarHBondContact O-N 2.91Å; A77-C80 PolarHBondContact O-N 3.5Å; C80-R82 VanDerWaalsContact C-N 3.26Å; C80-R82 PolarHBondContact O-N 3.06Å; C80-M83 WeakPolarHBondContact O-CA 3.38Å; C80-M83 WeakPolarHBondContact O-CB 3.21Å; C80-M83 PolarHBondContact O-N 3.47Å; C80-F84 HydrophobicContact CB-CE2 4.42Å; C80-F84 WeakPolarHBondContact O-CD2 3.49Å; C80-F84 PolarHBondContact O-N 2.8Å; C80-F84 VanDerWaalsContact O-N 3.12Å
81	K	81.1	Confident	77.4	Confident	62 Å²	62	72.1 Å²	72.1	27%	0.27	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-38	176.4	171.6	165.8	170.1	163.2	0	112	A77 G78 E79 M83 F84 L85 I96 E100	A77-K81 WeakPolarHBondContact O-CB 3.31Å; A77-K81 PolarHBondContact O-N 2.97Å; G78-K81 PolarHBondContact O-N 3.16Å; E79-K81 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.33Å; K81-M83 VanDerWaalsContact C-N 3.34Å; K81-M83 PolarHBondContact O-N 3.16Å; K81-F84 PolarHBondContact O-N 3.38Å; K81-L85 HydrophobicContact CG-CD1 4.03Å; K81-L85 WeakPolarHBondContact O-CG 3.29Å; K81-L85 PolarHBondContact O-N 3.09Å; K81-I96 HydrophobicContact CD-CG2 3.73Å; K81-I96 HydrophobicContact CG-CG2 4Å; K81-E100 WeakPolarHBondContact CE-OE2 3.23Å; K81-E100 IonicContact NZ-OE2 3.78Å; K81-E100 PolarHBondContact NZ-OE2 2.76Å
82	R	80.6	Confident	76.2	Confident	152 Å²	152	71.5 Å²	71.5	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-62.1	-37.4	172.4	-73.1	167.1	168.1	174	-5.9	113.1	G78 E79 C80 L85 Q86	G78-R82 PolarHBondContact O-N 3.3Å; G78-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.18Å; E79-R82 VanDerWaalsContact OE2-CD 3.26Å; E79-R82 WeakPolarHBondContact OE2-CD 3.21Å; E79-R82 IonicContact OE2-CZ 3.61Å; E79-R82 IonicContact OE2-NE 3.72Å; E79-R82 IonicContact OE2-NH1 2.72Å; E79-R82 PolarHBondContact OE2-NH1 3.26Å; C80-R82 VanDerWaalsContact C-N 3.26Å; C80-R82 PolarHBondContact O-N 3.06Å; R82-L85 PolarHBondContact O-N 3.33Å; R82-Q86 WeakPolarHBondContact O-CG 3.38Å; R82-Q86 PolarHBondContact O-N 2.62Å
83	M	78.4	Confident	75.1	Confident	58 Å²	58	73.4 Å²	73.4	29%	0.286	38%	0.375	S	S	.	.	H	α-helix	trans	-66.3	-38.9	175.1	-61.6	177.8	178.3	0	0	112.1	T17 I24 E79 C80 K81 Q86	T17-M83 HydrophobicContact CG2-CB 4.02Å; I24-M83 HydrophobicContact CD1-CE 4.12Å; E79-M83 PolarHBondContact O-N 3.17Å; C80-M83 WeakPolarHBondContact O-CA 3.38Å; C80-M83 WeakPolarHBondContact O-CB 3.21Å; C80-M83 PolarHBondContact O-N 3.47Å; K81-M83 VanDerWaalsContact C-N 3.34Å; K81-M83 PolarHBondContact O-N 3.16Å; M83-Q86 PolarHBondContact O-N 2.8Å
84	F	77.8	Confident	74.1	Confident	13 Å²	13	76.5 Å²	76.5	6%	0.057	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-36.6	173.5	-68.8	-72.3	0	0	0	112.9	T17 L18 C80 K81 Q86 L87 I92	T17-F84 HydrophobicContact CG2-CD1 3.84Å; T17-F84 HydrophobicContact CG2-CE1 3.52Å; T17-F84 HydrophobicContact CG2-CE2 4.23Å; T17-F84 HydrophobicContact CG2-CG 4.3Å; T17-F84 HydrophobicContact CG2-CZ 3.71Å; L18-F84 HydrophobicContact CB-CZ 4.35Å; L18-F84 HydrophobicContact CD2-CE1 4.34Å; L18-F84 HydrophobicContact CD2-CE2 4.27Å; L18-F84 HydrophobicContact CD2-CZ 3.58Å; L18-F84 HydrophobicContact CG-CE1 4Å; L18-F84 HydrophobicContact CG-CZ 3.61Å; C80-F84 HydrophobicContact CB-CE2 4.42Å; C80-F84 WeakPolarHBondContact O-CD2 3.49Å; C80-F84 PolarHBondContact O-N 2.8Å; C80-F84 VanDerWaalsContact O-N 3.12Å; K81-F84 PolarHBondContact O-N 3.38Å; F84-Q86 PolarHBondContact O-N 3.06Å; F84-L87 PolarHBondContact O-N 3.35Å; F84-L87 VanDerWaalsContact O-N 3.16Å; F84-I92 HydrophobicContact CD1-CG2 4.49Å
85	L	71.6	Confident	73.4	Confident	58 Å²	58	73.6 Å²	73.6	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-25.5	175.9	-73.9	163.7	0	0	0	113.1	K81 R82 K93 L97	K81-L85 HydrophobicContact CG-CD1 4.03Å; K81-L85 WeakPolarHBondContact O-CG 3.29Å; K81-L85 PolarHBondContact O-N 3.09Å; R82-L85 PolarHBondContact O-N 3.33Å; L85-K93 HydrophobicContact CD2-CG 4.36Å; L85-K93 WeakPolarHBondContact O-CE 3.36Å; L85-K93 PolarHBondContact O-NZ 3.44Å; L85-L97 HydrophobicContact CD2-CD2 3.99Å; L85-L97 HydrophobicContact CD2-CG 4.32Å
86	Q	76	Confident	72.5	Confident	154 Å²	154	71 Å²	71	72%	0.72	36%	0.355	S	S	*	.	H	α-helix	trans	-79	-16.8	175.7	-72.5	174.1	-2.3	0	0	114.1	R82 M83 F84	R82-Q86 WeakPolarHBondContact O-CG 3.38Å; R82-Q86 PolarHBondContact O-N 2.62Å; M83-Q86 PolarHBondContact O-N 2.8Å; F84-Q86 PolarHBondContact O-N 3.06Å
87	L	72.3	Confident	71.6	Confident	40 Å²	40	72.3 Å²	72.3	21%	0.209	37%	0.365	C	S	.	.			trans	-78.3	136.8	170.1	-98.4	53.7	0	0	0	109.8	E13 F84 K93	E13-L87 HydrophobicContact CB-CD2 3.85Å; F84-L87 PolarHBondContact O-N 3.35Å; F84-L87 VanDerWaalsContact O-N 3.16Å; L87-K93 WeakPolarHBondContact O-CD 3.42Å; L87-K93 PolarHBondContact O-NZ 3.25Å
88	N	59.6	Low	70.8	Confident	137 Å²	137	76.7 Å²	76.7	73%	0.733	37%	0.371	S	S	*	.	S	Bend	trans	-85.4	-34.4	172.9	-70.2	-12	0	0	0	111.7	S90	N88-S90 PolarHBondContact O-N 3.49Å
89	N	59.3	Low	70	Confident	127 Å²	127	80 Å²	80	68%	0.679	38%	0.375	S	S	*	.	S	Bend	trans	-100.1	41.4	-166.3	-55.3	8.9	0	0	0	112.3	T11	T11-N89 WeakPolarHBondContact CB-O 3.44Å; T11-N89 PolarHBondContact OG1-O 3.33Å
90	S	61.4	Low	69	Low	5 Å²	5	81.6 Å²	81.6	4%	0.035	38%	0.382	C	S	.	.			trans	-117.2	112.3	-170	-179.8	0	0	0	0	111.8	D14 N88 I92 K93	D14-S90 VanDerWaalsContact CG-OG 3.29Å; D14-S90 WeakPolarHBondContact OD1-CB 3.32Å; D14-S90 PolarHBondContact OD1-OG 3.3Å; D14-S90 PolarHBondContact OD2-OG 2.83Å; N88-S90 PolarHBondContact O-N 3.49Å; S90-I92 PolarHBondContact O-N 2.83Å; S90-I92 PolarHBondContact OG-N 3.39Å; S90-K93 VanDerWaalsContact O-CB 3.27Å; S90-K93 WeakPolarHBondContact O-CB 3.4Å; S90-K93 PolarHBondContact O-N 3.33Å; S90-K93 PolarHBondContact OG-N 3.05Å
91	R	61.5	Low	67.7	Low	147 Å²	147	87 Å²	87	56%	0.555	42%	0.415	S	S	*	.	H	α-helix	trans	-70.3	-15.6	174.9	-155.7	174.8	-177.6	-145.1	-0.6	112.5
92	I	65.8	Low	66.4	Low	45 Å²	45	89 Å²	89	23%	0.231	43%	0.433	C	S	.	.	H	α-helix	trans	-72.2	-33	169.9	-75.4	-177.8	0	0	0	111.3	L10 F84 S90 D94 E95 I96	L10-I92 HydrophobicContact CD1-CD1 3.36Å; L10-I92 HydrophobicContact CD1-CG1 4.15Å; F84-I92 HydrophobicContact CD1-CG2 4.49Å; S90-I92 PolarHBondContact O-N 2.83Å; S90-I92 PolarHBondContact OG-N 3.39Å; I92-D94 PolarHBondContact O-N 2.93Å; I92-E95 PolarHBondContact O-N 3.01Å; I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 3.95Å; I92-I96 WeakPolarHBondContact O-CB 3.27Å; I92-I96 VanDerWaalsContact O-CG1 3.29Å; I92-I96 WeakPolarHBondContact O-CG1 3.12Å; I92-I96 PolarHBondContact O-N 3.34Å
93	K	66.1	Low	64.8	Low	43 Å²	43	84 Å²	84	19%	0.187	43%	0.428	C	S	.	.	H	α-helix	trans	-60.8	-44.7	178.9	177.1	167.9	165.2	170.1	0	111.6	L85 L87 S90 E95 I96 L97	L85-K93 HydrophobicContact CD2-CG 4.36Å; L85-K93 WeakPolarHBondContact O-CE 3.36Å; L85-K93 PolarHBondContact O-NZ 3.44Å; L87-K93 WeakPolarHBondContact O-CD 3.42Å; L87-K93 PolarHBondContact O-NZ 3.25Å; S90-K93 VanDerWaalsContact O-CB 3.27Å; S90-K93 WeakPolarHBondContact O-CB 3.4Å; S90-K93 PolarHBondContact O-N 3.33Å; S90-K93 PolarHBondContact OG-N 3.05Å; K93-E95 PolarHBondContact O-N 3Å; K93-I96 PolarHBondContact O-N 3.3Å; K93-L97 HydrophobicContact CG-CD1 3.95Å; K93-L97 WeakPolarHBondContact O-CB 3.1Å; K93-L97 VanDerWaalsContact O-CG 3.26Å; K93-L97 WeakPolarHBondContact O-CG 3.26Å; K93-L97 PolarHBondContact O-N 3.12Å
94	D	66.2	Low	63	Low	107 Å²	107	88.1 Å²	88.1	57%	0.572	46%	0.457	S	S	*	.	H	α-helix	trans	-60.7	-46.6	178.3	-57.5	-32.8	0	0	0	111.9	I92 L97 R98	I92-D94 PolarHBondContact O-N 2.93Å; D94-L97 PolarHBondContact O-N 2.55Å; D94-R98 VanDerWaalsContact O-CB 3.31Å; D94-R98 WeakPolarHBondContact O-CB 3.43Å; D94-R98 PolarHBondContact O-N 3Å
95	E	69.4	Low	61.1	Low	66 Å²	66	96.5 Å²	96.5	31%	0.308	49%	0.494	S	S	.	.	H	α-helix	trans	-70.6	-34.7	178.7	-174.7	60.7	-167.2	0	0	111.9	I92 K93 R98 M99	I92-E95 PolarHBondContact O-N 3.01Å; K93-E95 PolarHBondContact O-N 3Å; E95-R98 VanDerWaalsContact CD-NH2 3.32Å; E95-R98 PolarHBondContact O-N 3.28Å; E95-R98 IonicContact OE1-CZ 2.76Å; E95-R98 IonicContact OE1-NE 3.71Å; E95-R98 IonicContact OE1-NH2 3.72Å; E95-R98 PolarHBondContact OE1-NH2 3.38Å; E95-R98 IonicContact OE2-CZ 3.53Å; E95-R98 IonicContact OE2-NE 3.49Å; E95-R98 PolarHBondContact OE2-NE 3.16Å; E95-R98 IonicContact OE2-NH2 3.86Å; E95-R98 PolarHBondContact OE2-NH2 3.29Å; E95-R98 VanDerWaalsContact OE2-NH2 3.09Å; E95-M99 HydrophobicContact CG-CE 3.9Å; E95-M99 HydrophobicContact CG-CG 4.41Å; E95-M99 HydrophobicContact CG-SD 4.5Å; E95-M99 VanDerWaalsContact O-CB 3.28Å; E95-M99 WeakPolarHBondContact O-CB 3.46Å; E95-M99 VanDerWaalsContact O-CG 3.24Å; E95-M99 WeakPolarHBondContact O-CG 3.26Å; E95-M99 PolarHBondContact O-N 3.25Å; E95-M99 WeakPolarHBondContact OE1-CE 3.39Å
96	I	66.6	Low	59.4	Low	35 Å²	35	101.8 Å²	101.8	18%	0.179	52%	0.517	C	S	.	.	H	α-helix	trans	-64.8	-40	173.1	-76.6	-179.3	0	0	0	111.5	K81 I92 K93 E100	K81-I96 HydrophobicContact CD-CG2 3.73Å; K81-I96 HydrophobicContact CG-CG2 4Å; I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 3.95Å; I92-I96 WeakPolarHBondContact O-CB 3.27Å; I92-I96 VanDerWaalsContact O-CG1 3.29Å; I92-I96 WeakPolarHBondContact O-CG1 3.12Å; I92-I96 PolarHBondContact O-N 3.34Å; K93-I96 PolarHBondContact O-N 3.3Å; I96-E100 WeakPolarHBondContact O-CB 3.5Å; I96-E100 PolarHBondContact O-N 3.48Å
97	L	64.4	Low	57.9	Low	76 Å²	76	98.8 Å²	98.8	40%	0.398	51%	0.511	S	S	.	.	H	α-helix	trans	-66.2	-46.7	174.3	-72.5	167.1	0	0	0	110.3	L85 K93 D94 M99 E100 T101	L85-L97 HydrophobicContact CD2-CD2 3.99Å; L85-L97 HydrophobicContact CD2-CG 4.32Å; K93-L97 HydrophobicContact CG-CD1 3.95Å; K93-L97 WeakPolarHBondContact O-CB 3.1Å; K93-L97 VanDerWaalsContact O-CG 3.26Å; K93-L97 WeakPolarHBondContact O-CG 3.26Å; K93-L97 PolarHBondContact O-N 3.12Å; D94-L97 PolarHBondContact O-N 2.55Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.32Å; L97-E100 PolarHBondContact O-N 3.29Å; L97-E100 VanDerWaalsContact O-N 3.13Å; L97-T101 PolarHBondContact O-N 3.28Å; L97-T101 PolarHBondContact O-OG1 3.39Å; L97-T101 VanDerWaalsContact O-OG1 3.06Å
98	R	64.6	Low	56.4	Low	145 Å²	145	101.5 Å²	101.5	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-40.6	177.1	-159.4	-179.2	73	84.3	6.4	112.2	D94 E95 T102	D94-R98 VanDerWaalsContact O-CB 3.31Å; D94-R98 WeakPolarHBondContact O-CB 3.43Å; D94-R98 PolarHBondContact O-N 3Å; E95-R98 VanDerWaalsContact CD-NH2 3.32Å; E95-R98 PolarHBondContact O-N 3.28Å; E95-R98 IonicContact OE1-CZ 2.76Å; E95-R98 IonicContact OE1-NE 3.71Å; E95-R98 IonicContact OE1-NH2 3.72Å; E95-R98 PolarHBondContact OE1-NH2 3.38Å; E95-R98 IonicContact OE2-CZ 3.53Å; E95-R98 IonicContact OE2-NE 3.49Å; E95-R98 PolarHBondContact OE2-NE 3.16Å; E95-R98 IonicContact OE2-NH2 3.86Å; E95-R98 PolarHBondContact OE2-NH2 3.29Å; E95-R98 VanDerWaalsContact OE2-NH2 3.09Å; R98-T102 WeakPolarHBondContact O-CB 3.17Å; R98-T102 PolarHBondContact O-N 3.13Å; R98-T102 VanDerWaalsContact O-N 3.11Å; R98-T102 PolarHBondContact O-OG1 2.76Å
99	M	62.1	Low	55.6	Low	114 Å²	114	101.3 Å²	101.3	56%	0.562	54%	0.536	S	S	*	.	H	α-helix	trans	-66.9	-36.5	173.4	-75.7	-173.1	-179.9	0	0	112.5	E95 L97 T102 G103	E95-M99 HydrophobicContact CG-CE 3.9Å; E95-M99 HydrophobicContact CG-CG 4.41Å; E95-M99 HydrophobicContact CG-SD 4.5Å; E95-M99 VanDerWaalsContact O-CB 3.28Å; E95-M99 WeakPolarHBondContact O-CB 3.46Å; E95-M99 VanDerWaalsContact O-CG 3.24Å; E95-M99 WeakPolarHBondContact O-CG 3.26Å; E95-M99 PolarHBondContact O-N 3.25Å; E95-M99 WeakPolarHBondContact OE1-CE 3.39Å; L97-M99 VanDerWaalsContact C-N 3.34Å; L97-M99 PolarHBondContact O-N 3.32Å; M99-T102 CarbonylContact O-C 3.37Å; M99-T102 PolarHBondContact O-N 2.8Å; M99-G103 VanDerWaalsContact O-CA 3.27Å; M99-G103 WeakPolarHBondContact O-CA 3.47Å; M99-G103 PolarHBondContact O-N 2.74Å
100	E	61.1	Low	55	Low	119 Å²	119	98.9 Å²	98.9	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-66.6	-43.4	174.7	-171.7	165.5	166.1	0	0	111.4	K81 I96 L97 T102 G103	K81-E100 WeakPolarHBondContact CE-OE2 3.23Å; K81-E100 IonicContact NZ-OE2 3.78Å; K81-E100 PolarHBondContact NZ-OE2 2.76Å; I96-E100 WeakPolarHBondContact O-CB 3.5Å; I96-E100 PolarHBondContact O-N 3.48Å; L97-E100 PolarHBondContact O-N 3.29Å; L97-E100 VanDerWaalsContact O-N 3.13Å; E100-T102 PolarHBondContact O-N 2.82Å; E100-G103 PolarHBondContact O-N 2.89Å
101	T	56.6	Low	54.2	Low	124 Å²	124	101.7 Å²	101.7	76%	0.761	56%	0.56	S	S	*	*	H	α-helix	trans	-61.9	-24	172.6	-54.5	0	0	0	0	113.3	L97	L97-T101 PolarHBondContact O-N 3.28Å; L97-T101 PolarHBondContact O-OG1 3.39Å; L97-T101 VanDerWaalsContact O-OG1 3.06Å
102	T	53	Low	53.7	Low	103 Å²	103	99.6 Å²	99.6	63%	0.632	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-0.2	-177	-43.6	0	0	0	0	112.8	R98 M99 E100	R98-T102 WeakPolarHBondContact O-CB 3.17Å; R98-T102 PolarHBondContact O-N 3.13Å; R98-T102 VanDerWaalsContact O-N 3.11Å; R98-T102 PolarHBondContact O-OG1 2.76Å; M99-T102 CarbonylContact O-C 3.37Å; M99-T102 PolarHBondContact O-N 2.8Å; E100-T102 PolarHBondContact O-N 2.82Å
103	G	47.6	Very low	53.1	Low	47 Å²	47	104.7 Å²	104.7	49%	0.485	59%	0.592	S	S	.	*	S	Bend	trans	-110.3	63	-155.6	0	0	0	0	0	117.7	M99 E100 F105	M99-G103 VanDerWaalsContact O-CA 3.27Å; M99-G103 WeakPolarHBondContact O-CA 3.47Å; M99-G103 PolarHBondContact O-N 2.74Å; E100-G103 PolarHBondContact O-N 2.89Å; G103-F105 PolarHBondContact O-N 3.32Å
104	T	40.1	Very low	52.1	Low	146 Å²	146	108.2 Å²	108.2	90%	0.896	61%	0.612	S	S	*	*	S	Bend	trans	59.7	50.3	154	-36.3	0	0	0	0	117.6
105	F	38	Very low	51.7	Low	189 Å²	189	108.5 Å²	108.5	83%	0.829	62%	0.617	S	S	*	*	S	Bend	trans	-120.5	120.2	140.6	-174.1	-91.1	0	0	0	107.5	G103 P107	G103-F105 PolarHBondContact O-N 3.32Å; F105-P107 WeakPolarHBondContact O-CD 3.48Å; F105-P107 WeakPolarHBondContact O-CG 3.24Å
106	Q	36.7	Very low	50.8	Low	168 Å²	168	112.2 Å²	112.2	79%	0.785	64%	0.639	S	S	*	*			trans	-47.9	104	-168.4	-78.2	-86.2	1	0	0	112.9	T108	Q106-T108 PolarHBondContact O-N 3.4Å
107	P	42.6	Very low	50.5	Low	91 Å²	91	112.7 Å²	112.7	59%	0.591	64%	0.643	S	S	*	*			trans	-85.1	105.3	170.3	4.2	16.8	0	0	0	106.7	F105	F105-P107 WeakPolarHBondContact O-CD 3.48Å; F105-P107 WeakPolarHBondContact O-CG 3.24Å
108	T	41.3	Very low	50.2	Low	98 Å²	98	114 Å²	114	60%	0.601	66%	0.656	S	S	*	*			trans	-51.5	133.8	177.6	-45	0	0	0	0	109.9	Q106 G110 S111	Q106-T108 PolarHBondContact O-N 3.4Å; T108-G110 VanDerWaalsContact C-N 3.29Å; T108-G110 PolarHBondContact O-N 3.21Å; T108-S111 PolarHBondContact O-N 2.96Å; T108-S111 VanDerWaalsContact O-N 3.14Å; T108-S111 PolarHBondContact O-OG 2.86Å
109	P	43.3	Very low	49.7	Very low	133 Å²	133	112 Å²	112	86%	0.864	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	88.3	179.5	27.1	-34.8	0	0	0	110.4
110	G	47.7	Very low	49.4	Very low	75 Å²	75	110.8 Å²	110.8	77%	0.773	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.1	-13.3	-171.7	0	0	0	0	0	115.5	T108	T108-G110 VanDerWaalsContact C-N 3.29Å; T108-G110 PolarHBondContact O-N 3.21Å
111	S	43.6	Very low	49.2	Very low	65 Å²	65	112.8 Å²	112.8	46%	0.455	67%	0.667	S	S	.	*			trans	-118	101	-179	57.6	0	0	0	0	113.2	T108	T108-S111 PolarHBondContact O-N 2.96Å; T108-S111 VanDerWaalsContact O-N 3.14Å; T108-S111 PolarHBondContact O-OG 2.86Å
112	P	51.2	Low	49.4	Very low	103 Å²	103	109.8 Å²	109.8	67%	0.669	65%	0.645	S	S	*	*			trans	-74.9	124.9	172.5	30.1	-32.6	0	0	0	110.9	I114	P112-I114 HydrophobicContact CB-CG1 4.16Å; P112-I114 HydrophobicContact CG-CD1 4.47Å; P112-I114 HydrophobicContact CG-CG1 4.28Å; P112-I114 PolarHBondContact O-N 2.79Å
113	I	52.3	Low	50.1	Low	152 Å²	152	109.6 Å²	109.6	78%	0.779	65%	0.645	S	S	*	*			trans	-81.8	99.2	164.9	-64.1	179.3	0	0	0	107.1	V115	I113-V115 PolarHBondContact O-N 3.29Å
114	I	46.8	Very low	50.7	Low	117 Å²	117	113.8 Å²	113.8	60%	0.6	66%	0.664	S	S	*	*			trans	-80.7	96.9	-174.2	-58.4	174.5	0	0	0	109.6	P112 N116	P112-I114 HydrophobicContact CB-CG1 4.16Å; P112-I114 HydrophobicContact CG-CD1 4.47Å; P112-I114 HydrophobicContact CG-CG1 4.28Å; P112-I114 PolarHBondContact O-N 2.79Å; I114-N116 HydrophobicContact CG2-CB 3.77Å; I114-N116 VanDerWaalsContact CG2-OD1 3.23Å; I114-N116 WeakPolarHBondContact CG2-OD1 3.09Å; I114-N116 PolarHBondContact O-N 3.36Å
115	V	56.6	Low	52.1	Low	112 Å²	112	108.3 Å²	108.3	68%	0.679	63%	0.628	S	S	*	*			trans	-87.2	91	159.9	-172.6	0	0	0	0	106.5	I113 T117	I113-V115 PolarHBondContact O-N 3.29Å; V115-T117 HydrophobicContact CG1-CG2 3.88Å; V115-T117 PolarHBondContact O-N 2.84Å
116	N	51.2	Low	54	Low	144 Å²	144	104.3 Å²	104.3	77%	0.77	62%	0.616	S	S	*	*			trans	-80.7	104.5	-169.8	-118.4	1.7	0	0	0	111.2	I114	I114-N116 HydrophobicContact CG2-CB 3.77Å; I114-N116 VanDerWaalsContact CG2-OD1 3.23Å; I114-N116 WeakPolarHBondContact CG2-OD1 3.09Å; I114-N116 PolarHBondContact O-N 3.36Å
117	T	60.2	Low	55.8	Low	46 Å²	46	102.1 Å²	102.1	28%	0.282	60%	0.601	S	S	.	*			trans	-137.3	96.2	-174.4	72.2	0	0	0	0	108.5	V115 V119 T152 I154	V115-T117 HydrophobicContact CG1-CG2 3.88Å; V115-T117 PolarHBondContact O-N 2.84Å; T117-V119 PolarHBondContact O-N 3.13Å; T117-V119 VanDerWaalsContact O-N 3.13Å; T117-T152 HydrophobicContact CG2-CG2 3.57Å; T117-T152 VanDerWaalsContact CG2-OG1 3.31Å; T117-T152 WeakPolarHBondContact CG2-OG1 3.4Å; T117-I154 WeakPolarHBondContact O-CD1 3.31Å
118	P	57	Low	57.6	Low	102 Å²	102	101.5 Å²	101.5	66%	0.662	59%	0.591	S	S	*	*			trans	-72.9	108.8	-170.9	27.2	-33.2	0	0	0	111.7	E120 I154	P118-E120 VanDerWaalsContact C-N 3.34Å; P118-E120 PolarHBondContact O-N 3.47Å; P118-E120 VanDerWaalsContact O-N 3.1Å; P118-I154 WeakPolarHBondContact O-CD1 3.45Å
119	V	55.4	Low	59.6	Low	104 Å²	104	101.8 Å²	101.8	63%	0.63	59%	0.585	S	S	*	*			trans	-77.9	88.8	166.8	-177.2	0	0	0	0	107.4	T117 I154	T117-V119 PolarHBondContact O-N 3.13Å; T117-V119 VanDerWaalsContact O-N 3.13Å; V119-I154 HydrophobicContact CB-CD1 4.37Å; V119-I154 HydrophobicContact CG1-CG2 4.36Å; V119-I154 HydrophobicContact CG2-CD1 3.59Å; V119-I154 HydrophobicContact CG2-CG1 4.18Å; V119-I154 HydrophobicContact CG2-CG2 4.22Å
120	E	56.2	Low	61.2	Low	89 Å²	89	95.9 Å²	95.9	42%	0.416	55%	0.545	S	S	.	.			trans	-89.6	112.3	-170.6	-161.3	166	-165.6	0	0	111.2	P118 H122 Q137	P118-E120 VanDerWaalsContact C-N 3.34Å; P118-E120 PolarHBondContact O-N 3.47Å; P118-E120 VanDerWaalsContact O-N 3.1Å; E120-H122 PolarHBondContact O-CE1 3.22Å; E120-H122 PolarHBondContact O-N 3.39Å; E120-H122 PolarHBondContact O-ND1 3.08Å; E120-H122 PolarHBondContact O-NE2 2.99Å; E120-Q137 PolarHBondContact OE1-NE2 2.94Å; E120-Q137 PolarHBondContact OE2-NE2 3.26Å
121	N	56.2	Low	62.7	Low	160 Å²	160	96.7 Å²	96.7	86%	0.856	53%	0.525	S	S	*	.			trans	-77.5	82.5	-176.5	-71.2	-55.2	0	0	0	112.4
122	H	60.5	Low	64.5	Low	62 Å²	62	99.8 Å²	99.8	29%	0.287	53%	0.527	S	S	.	.			trans	-80.4	148.4	167.3	34.7	-115.1	0	0	0	112.2	E120 M125 E157	E120-H122 PolarHBondContact O-CE1 3.22Å; E120-H122 PolarHBondContact O-N 3.39Å; E120-H122 PolarHBondContact O-ND1 3.08Å; E120-H122 PolarHBondContact O-NE2 2.99Å; H122-M125 HydrophobicContact CB-SD 4.02Å; H122-E157 VanDerWaalsContact CD2-CG 3.45Å; H122-E157 WeakPolarHBondContact CD2-CG 3.33Å; H122-E157 IonicContact CD2-OE2 3.75Å; H122-E157 IonicContact CE1-OE2 3.13Å; H122-E157 PolarHBondContact CE1-OE2 3.1Å; H122-E157 IonicContact CG-OE2 3.64Å; H122-E157 IonicContact ND1-OE2 2.78Å; H122-E157 WeakPolarHBondContact NE2-CB 3.46Å; H122-E157 WeakPolarHBondContact NE2-CG 2.96Å; H122-E157 IonicContact NE2-OE2 2.67Å
123	P	67.2	Low	65.9	Low	99 Å²	99	97.3 Å²	97.3	64%	0.643	51%	0.506	S	S	*	.			trans	-69.5	157.2	166.4	31.3	-34.7	0	0	0	110.7	M125	P123-M125 PolarHBondContact O-N 3.1Å
124	P	60.8	Low	67.1	Low	135 Å²	135	94.6 Å²	94.6	88%	0.877	49%	0.486	S	S	*	.			trans	-60	111	178.6	25.4	-34.5	0	0	0	110.1
125	M	69.9	Low	68.7	Low	30 Å²	30	91.2 Å²	91.2	15%	0.148	47%	0.469	C	S	.	.			trans	-114.8	141.6	-170.2	60.9	-161.3	-61.9	0	0	110.5	H122 P123 Q129 F133 E157	H122-M125 HydrophobicContact CB-SD 4.02Å; P123-M125 PolarHBondContact O-N 3.1Å; M125-Q129 HydrophobicContact CB-CB 3.89Å; M125-Q129 HydrophobicContact CE-CB 3.71Å; M125-Q129 HydrophobicContact CG-CB 4.35Å; M125-F133 HydrophobicContact CE-CB 3.93Å; M125-F133 HydrophobicContact CE-CG 4.42Å; M125-E157 WeakPolarHBondContact CG-OE1 3.44Å
126	N	78.2	Confident	70	Confident	106 Å²	106	94 Å²	94	57%	0.567	47%	0.468	S	S	*	.			trans	-65	163.6	-173.8	-177.9	34.3	0	0	0	111.8	E128 Q129 T159	N126-E128 VanDerWaalsContact C-N 3.33Å; N126-E128 PolarHBondContact O-N 2.73Å; N126-E128 VanDerWaalsContact O-N 3.14Å; N126-Q129 HydrophobicContact CB-CG 4.46Å; N126-Q129 WeakPolarHBondContact O-CB 3.42Å; N126-Q129 PolarHBondContact O-N 3.41Å; N126-T159 CarbonylContact C-O 3.57Å
127	Y	73.2	Confident	71.1	Confident	121 Å²	121	90.3 Å²	90.3	48%	0.475	45%	0.446	S	S	.	.	H	α-helix	trans	-31.8	-62.2	171.8	-145.3	-130.7	0	0	0	112.3	Q129 T159 T160 S161	Y127-Q129 VanDerWaalsContact C-N 3.33Å; Y127-Q129 PolarHBondContact O-N 3.44Å; Y127-T159 VanDerWaalsContact CA-O 3.25Å; Y127-T159 WeakPolarHBondContact CA-O 3.18Å; Y127-T159 PolarHBondContact N-O 2.86Å; Y127-T159 VanDerWaalsContact N-O 3.15Å; Y127-T160 WeakPolarHBondContact CE2-OG1 3.31Å; Y127-S161 CarbonylContact O-C 3.59Å; Y127-S161 VanDerWaalsContact O-C 3.29Å; Y127-S161 VanDerWaalsContact O-CA 3.31Å; Y127-S161 WeakPolarHBondContact O-CA 3.4Å; Y127-S161 PolarHBondContact O-N 3.43Å
128	E	80.3	Confident	71.5	Confident	79 Å²	79	93.8 Å²	93.8	37%	0.369	46%	0.462	S	S	.	.	H	α-helix	trans	-75.7	-6.5	-176.9	-64	-152.3	151.5	0	0	116.6	N126 R132 S161 D162	N126-E128 VanDerWaalsContact C-N 3.33Å; N126-E128 PolarHBondContact O-N 2.73Å; N126-E128 VanDerWaalsContact O-N 3.14Å; E128-R132 WeakPolarHBondContact O-CD 3.34Å; E128-R132 VanDerWaalsContact O-CG 3.25Å; E128-R132 WeakPolarHBondContact O-CG 3.35Å; E128-R132 PolarHBondContact O-NE 2.98Å; E128-R132 IonicContact OE2-CZ 2.62Å; E128-R132 IonicContact OE2-NH2 3.89Å; E128-R132 PolarHBondContact OE2-NH2 3.12Å; E128-S161 WeakPolarHBondContact CA-O 3.39Å; E128-D162 WeakPolarHBondContact CA-O 3.45Å; E128-D162 HydrophobicContact CG-CB 4.36Å
129	Q	83	Confident	71.9	Confident	103 Å²	103	94.6 Å²	94.6	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-84.2	-38	-178.8	-68.5	177.4	-78	0	0	111.5	M125 N126 Y127 R132 F133	M125-Q129 HydrophobicContact CB-CB 3.89Å; M125-Q129 HydrophobicContact CE-CB 3.71Å; M125-Q129 HydrophobicContact CG-CB 4.35Å; N126-Q129 HydrophobicContact CB-CG 4.46Å; N126-Q129 WeakPolarHBondContact O-CB 3.42Å; N126-Q129 PolarHBondContact O-N 3.41Å; Y127-Q129 VanDerWaalsContact C-N 3.33Å; Y127-Q129 PolarHBondContact O-N 3.44Å; Q129-R132 PolarHBondContact O-N 2.73Å; Q129-F133 PolarHBondContact O-N 3.02Å; Q129-F133 VanDerWaalsContact O-N 3.1Å
130	R	77.2	Confident	72.2	Confident	9 Å²	9	98 Å²	98	3%	0.034	47%	0.466	C	S	.	.	H	α-helix	trans	-66	-46.6	-174.1	-171.8	-175.5	-52.5	-178.3	-1.4	113.8	R132 F133 Y134 E157 T159 T160	R130-R132 PolarHBondContact O-N 3.49Å; R130-F133 WeakPolarHBondContact O-CA 3.43Å; R130-F133 VanDerWaalsContact O-CB 3.29Å; R130-F133 WeakPolarHBondContact O-CB 3.25Å; R130-F133 PolarHBondContact O-N 2.76Å; R130-Y134 HydrophobicContact CG-CD2 3.78Å; R130-Y134 HydrophobicContact CG-CE2 3.69Å; R130-Y134 PolarHBondContact O-N 3.46Å; R130-E157 IonicContact CZ-OE1 3.87Å; R130-E157 IonicContact CZ-OE2 3.33Å; R130-E157 IonicContact NE-OE1 2.7Å; R130-E157 PolarHBondContact NE-OE1 3.29Å; R130-E157 IonicContact NE-OE2 3.09Å; R130-E157 PolarHBondContact NE-OE2 3.24Å; R130-E157 PolarHBondContact NH1-O 2.7Å; R130-E157 PolarHBondContact NH2-O 2.82Å; R130-E157 IonicContact NH2-OE1 3.18Å; R130-E157 PolarHBondContact NH2-OE1 3.31Å; R130-E157 IonicContact NH2-OE2 2.73Å; R130-T159 VanDerWaalsContact NH2-CA 3.34Å; R130-T159 VanDerWaalsContact NH2-N 3.15Å; R130-T160 VanDerWaalsContact NH1-CG2 3.34Å
131	R	79	Confident	72.1	Confident	92 Å²	92	97.5 Å²	97.5	35%	0.347	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-30.5	179.5	-169.2	-179.2	-179.3	170.8	4.2	111.4	F133 N135 S161 D162	R131-F133 VanDerWaalsContact C-N 3.32Å; R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 VanDerWaalsContact O-CG 3.3Å; R131-N135 PolarHBondContact O-N 2.91Å; R131-N135 PolarHBondContact O-OD1 3.14Å; R131-S161 WeakPolarHBondContact CB-O 3.39Å; R131-S161 PolarHBondContact N-O 3.02Å; R131-D162 VanDerWaalsContact CD-CA 3.43Å; R131-D162 IonicContact NH1-OD1 2.79Å; R131-D162 PolarHBondContact NH1-OD1 2.93Å
132	R	82.6	Confident	71.7	Confident	131 Å²	131	95.5 Å²	95.5	49%	0.494	47%	0.466	S	S	.	.	H	α-helix	trans	-73.1	-22.2	173.1	-56.4	177.9	-161.9	-154.4	7.2	113.2	E128 Q129 R130 R136	E128-R132 WeakPolarHBondContact O-CD 3.34Å; E128-R132 VanDerWaalsContact O-CG 3.25Å; E128-R132 WeakPolarHBondContact O-CG 3.35Å; E128-R132 PolarHBondContact O-NE 2.98Å; E128-R132 IonicContact OE2-CZ 2.62Å; E128-R132 IonicContact OE2-NH2 3.89Å; E128-R132 PolarHBondContact OE2-NH2 3.12Å; Q129-R132 PolarHBondContact O-N 2.73Å; R130-R132 PolarHBondContact O-N 3.49Å; R132-R136 WeakPolarHBondContact O-CG 3.03Å; R132-R136 PolarHBondContact O-NE 2.89Å
133	F	79.3	Confident	70.7	Confident	51 Å²	51	97.3 Å²	97.3	22%	0.224	49%	0.486	C	S	.	.	H	α-helix	trans	-75.8	-57.2	170.7	-178.4	-95.8	0	0	0	110.5	M125 Q129 R130 R131 N135 R136 Q137	M125-F133 HydrophobicContact CE-CB 3.93Å; M125-F133 HydrophobicContact CE-CG 4.42Å; Q129-F133 PolarHBondContact O-N 3.02Å; Q129-F133 VanDerWaalsContact O-N 3.1Å; R130-F133 WeakPolarHBondContact O-CA 3.43Å; R130-F133 VanDerWaalsContact O-CB 3.29Å; R130-F133 WeakPolarHBondContact O-CB 3.25Å; R130-F133 PolarHBondContact O-N 2.76Å; R131-F133 VanDerWaalsContact C-N 3.32Å; F133-N135 PolarHBondContact O-N 3.15Å; F133-R136 PolarHBondContact O-N 2.67Å; F133-R136 VanDerWaalsContact O-N 3.14Å; F133-Q137 VanDerWaalsContact CE1-CD 3.44Å; F133-Q137 HydrophobicContact CE1-CG 4.26Å; F133-Q137 HydrophobicContact CZ-CG 4.44Å; F133-Q137 VanDerWaalsContact CZ-NE2 3.33Å; F133-Q137 PolarHBondContact O-N 2.78Å
134	Y	77.2	Confident	69.5	Low	95 Å²	95	97.9 Å²	97.9	37%	0.373	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-38.7	-180	-71.9	-45.5	0	0	0	113.8	R130 R136 Q137 L138	R130-Y134 HydrophobicContact CG-CD2 3.78Å; R130-Y134 HydrophobicContact CG-CE2 3.69Å; R130-Y134 PolarHBondContact O-N 3.46Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 3.18Å; Y134-Q137 PolarHBondContact O-N 2.97Å; Y134-L138 PolarHBondContact O-N 3.22Å
135	N	81.6	Confident	68.4	Low	46 Å²	46	102.3 Å²	102.3	25%	0.246	49%	0.49	C	S	.	.	H	α-helix	trans	-57	-43.7	173.4	-85	35.8	0	0	0	111.3	R131 F133 L138 E139	R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 VanDerWaalsContact O-CG 3.3Å; R131-N135 PolarHBondContact O-N 2.91Å; R131-N135 PolarHBondContact O-OD1 3.14Å; F133-N135 PolarHBondContact O-N 3.15Å; N135-L138 WeakPolarHBondContact O-CB 3.2Å; N135-L138 PolarHBondContact O-N 3.43Å; N135-E139 WeakPolarHBondContact O-CG 3.41Å; N135-E139 PolarHBondContact O-N 3.5Å
136	R	83.4	Confident	66.9	Low	170 Å²	170	108.7 Å²	108.7	64%	0.642	52%	0.524	S	S	*	.	H	α-helix	trans	-70.9	-34.3	179.2	-75.2	-163	-66.1	174.6	2.1	113	R132 F133 Y134 L138 E139 Q140	R132-R136 WeakPolarHBondContact O-CG 3.03Å; R132-R136 PolarHBondContact O-NE 2.89Å; F133-R136 PolarHBondContact O-N 2.67Å; F133-R136 VanDerWaalsContact O-N 3.14Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 3.18Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 2.98Å; R136-E139 PolarHBondContact O-N 3.23Å; R136-Q140 WeakPolarHBondContact O-CB 3.4Å; R136-Q140 PolarHBondContact O-N 2.99Å
137	Q	75	Confident	64.9	Low	66 Å²	66	108.8 Å²	108.8	31%	0.308	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-37.2	169.9	-76.5	-171.8	-30	0	0	112	E120 F133 Y134 Q140 S141	E120-Q137 PolarHBondContact OE1-NE2 2.94Å; E120-Q137 PolarHBondContact OE2-NE2 3.26Å; F133-Q137 VanDerWaalsContact CE1-CD 3.44Å; F133-Q137 HydrophobicContact CE1-CG 4.26Å; F133-Q137 HydrophobicContact CZ-CG 4.44Å; F133-Q137 VanDerWaalsContact CZ-NE2 3.33Å; F133-Q137 PolarHBondContact O-N 2.78Å; Y134-Q137 PolarHBondContact O-N 2.97Å; Q137-Q140 PolarHBondContact O-N 3.44Å; Q137-S141 WeakPolarHBondContact O-CB 3.35Å; Q137-S141 PolarHBondContact O-N 2.91Å; Q137-S141 PolarHBondContact O-OG 3.36Å
138	L	68	Low	63.3	Low	120 Å²	120	108.6 Å²	108.6	63%	0.628	55%	0.549	S	S	*	.	H	α-helix	trans	-66.2	-43.5	175.9	-139.2	75.9	0	0	0	112	Y134 N135 R136 S141 T142	Y134-L138 PolarHBondContact O-N 3.22Å; N135-L138 WeakPolarHBondContact O-CB 3.2Å; N135-L138 PolarHBondContact O-N 3.43Å; R136-L138 VanDerWaalsContact C-N 3.31Å; R136-L138 PolarHBondContact O-N 2.98Å; L138-S141 PolarHBondContact O-OG 2.9Å; L138-T142 PolarHBondContact O-N 3.38Å; L138-T142 PolarHBondContact O-OG1 3.33Å
139	E	65	Low	61.2	Low	118 Å²	118	114 Å²	114	55%	0.551	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-45.6	174.6	-70.6	168.6	163.6	0	0	111.3	N135 R136 S141 T142	N135-E139 WeakPolarHBondContact O-CG 3.41Å; N135-E139 PolarHBondContact O-N 3.5Å; R136-E139 PolarHBondContact O-N 3.23Å; E139-S141 VanDerWaalsContact C-N 3.31Å; E139-S141 PolarHBondContact O-N 3.48Å; E139-T142 PolarHBondContact O-N 3.05Å
140	Q	63.3	Low	59.1	Low	175 Å²	175	114.5 Å²	114.5	82%	0.818	58%	0.584	S	S	*	*	H	α-helix	trans	-75.5	-15.1	-175.7	-161.7	167.2	11.4	0	0	114.1	R136 Q137	R136-Q140 WeakPolarHBondContact O-CB 3.4Å; R136-Q140 PolarHBondContact O-N 2.99Å; Q137-Q140 PolarHBondContact O-N 3.44Å
141	S	52.9	Low	57.4	Low	80 Å²	80	119.4 Å²	119.4	56%	0.559	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-0.5	174.3	53.8	0	0	0	0	114.3	Q137 L138 E139 S143	Q137-S141 WeakPolarHBondContact O-CB 3.35Å; Q137-S141 PolarHBondContact O-N 2.91Å; Q137-S141 PolarHBondContact O-OG 3.36Å; L138-S141 PolarHBondContact O-OG 2.9Å; E139-S141 VanDerWaalsContact C-N 3.31Å; E139-S141 PolarHBondContact O-N 3.48Å; S141-S143 PolarHBondContact O-N 2.69Å
142	T	48	Very low	55.1	Low	117 Å²	117	119 Å²	119	72%	0.718	63%	0.625	S	S	*	*			trans	-79.6	68.3	177.8	-58.3	0	0	0	0	111.3	L138 E139	L138-T142 PolarHBondContact O-N 3.38Å; L138-T142 PolarHBondContact O-OG1 3.33Å; E139-T142 PolarHBondContact O-N 3.05Å
143	S	39	Very low	52.9	Low	100 Å²	100	117.5 Å²	117.5	70%	0.699	63%	0.63	S	S	*	*	S	Bend	trans	-145.7	147.1	174.4	-158.3	0	0	0	0	109.9	S141 Y145	S141-S143 PolarHBondContact O-N 2.69Å; S143-Y145 PolarHBondContact O-N 2.89Å; S143-Y145 VanDerWaalsContact O-N 3.12Å
144	P	41.9	Very low	51.1	Low	111 Å²	111	118.2 Å²	118.2	72%	0.721	64%	0.636	S	S	*	*	S	Bend	trans	-90.5	91.1	-136.7	33.3	-37.8	0	0	0	116.2
145	Y	38.2	Very low	49.5	Very low	229 Å²	229	119.9 Å²	119.9	90%	0.898	65%	0.647	S	S	*	*			trans	-129.4	76.5	156.2	-83.9	-72.3	0	0	0	114	S143 S147	S143-Y145 PolarHBondContact O-N 2.89Å; S143-Y145 VanDerWaalsContact O-N 3.12Å; Y145-S147 PolarHBondContact O-N 3.49Å
146	L	38.2	Very low	47.6	Very low	164 Å²	164	124.6 Å²	124.6	86%	0.859	67%	0.667	S	S	*	*			trans	10	100.5	142.5	-165.5	66.5	0	0	0	118.5
147	S	35.9	Very low	45.7	Very low	108 Å²	108	117.7 Å²	117.7	76%	0.755	64%	0.642	S	S	*	*			trans	49.6	91.5	139.5	-175.6	0	0	0	0	120.3	Y145	Y145-S147 PolarHBondContact O-N 3.49Å
148	S	40.1	Very low	44.1	Very low	116 Å²	116	118.5 Å²	118.5	81%	0.811	65%	0.649	S	S	*	*			trans	-152.8	45.1	146.3	52.5	0	0	0	0	114.7
149	K	37.1	Very low	42.8	Very low	194 Å²	194	116 Å²	116	84%	0.843	64%	0.639	S	S	*	*			trans	27.8	77.1	156.3	-165.6	-175.5	-179.2	177.5	0	117
150	P	37.3	Very low	41.8	Very low	112 Å²	112	113.6 Å²	113.6	73%	0.727	63%	0.632	S	S	*	*			trans	-68.4	155.8	157	32.8	-34.6	0	0	0	109.9
151	P	43.4	Very low	40.7	Very low	113 Å²	113	106.2 Å²	106.2	73%	0.734	60%	0.6	S	S	*	*			trans	-135.6	117.5	131	33.2	-20.7	0	0	0	110.4
152	T	30.7	Very low	40	Very low	83 Å²	83	104 Å²	104	51%	0.509	58%	0.582	S	S	.	*			trans	-129.3	101.5	160.7	-41.5	0	0	0	0	108.6	T117 I154	T117-T152 HydrophobicContact CG2-CG2 3.57Å; T117-T152 VanDerWaalsContact CG2-OG1 3.31Å; T117-T152 WeakPolarHBondContact CG2-OG1 3.4Å; T152-I154 PolarHBondContact O-N 3.14Å
153	T	36.3	Very low	39.6	Very low	99 Å²	99	104.5 Å²	104.5	61%	0.607	57%	0.574	S	S	*	*			trans	-86.3	105.1	172.6	-42	0	0	0	0	107.9	E155	T153-E155 HydrophobicContact CG2-CB 3.96Å; T153-E155 HydrophobicContact CG2-CG 3.63Å; T153-E155 WeakPolarHBondContact CG2-OE1 3.19Å; T153-E155 WeakPolarHBondContact CG2-OE2 3.25Å; T153-E155 PolarHBondContact O-N 3.31Å
154	I	41.6	Very low	39.6	Very low	66 Å²	66	108.3 Å²	108.3	34%	0.338	57%	0.573	S	S	.	*			trans	-83	104.7	160.6	-68.9	149.2	0	0	0	105.2	T117 P118 V119 T152	T117-I154 WeakPolarHBondContact O-CD1 3.31Å; P118-I154 WeakPolarHBondContact O-CD1 3.45Å; V119-I154 HydrophobicContact CB-CD1 4.37Å; V119-I154 HydrophobicContact CG1-CG2 4.36Å; V119-I154 HydrophobicContact CG2-CD1 3.59Å; V119-I154 HydrophobicContact CG2-CG1 4.18Å; V119-I154 HydrophobicContact CG2-CG2 4.22Å; T152-I154 PolarHBondContact O-N 3.14Å
155	E	43.1	Very low	39.3	Very low	130 Å²	130	109.4 Å²	109.4	61%	0.607	57%	0.573	S	S	*	*			trans	-133.8	143.6	178.4	-103.8	168.1	-167.4	0	0	106.7	T153	T153-E155 HydrophobicContact CG2-CB 3.96Å; T153-E155 HydrophobicContact CG2-CG 3.63Å; T153-E155 WeakPolarHBondContact CG2-OE1 3.19Å; T153-E155 WeakPolarHBondContact CG2-OE2 3.25Å; T153-E155 PolarHBondContact O-N 3.31Å
156	E	40.7	Very low	39.2	Very low	146 Å²	146	101.6 Å²	101.6	68%	0.682	55%	0.552	S	S	*	*			cis	-128.4	118.3	16.1	-66.8	178.4	109.2	0	0	113.5	N158	E156-N158 PolarHBondContact OE1-ND2 2.96Å; E156-N158 PolarHBondContact OE2-ND2 3.41Å
157	E	43.4	Very low	39.8	Very low	24 Å²	24	100.3 Å²	100.3	11%	0.112	55%	0.546	C	S	.	.			trans	-59.3	143.4	130	-165.7	-150.5	129.6	0	0	107.9	H122 M125 R130	H122-E157 VanDerWaalsContact CD2-CG 3.45Å; H122-E157 WeakPolarHBondContact CD2-CG 3.33Å; H122-E157 IonicContact CD2-OE2 3.75Å; H122-E157 IonicContact CE1-OE2 3.13Å; H122-E157 PolarHBondContact CE1-OE2 3.1Å; H122-E157 IonicContact CG-OE2 3.64Å; H122-E157 IonicContact ND1-OE2 2.78Å; H122-E157 WeakPolarHBondContact NE2-CB 3.46Å; H122-E157 WeakPolarHBondContact NE2-CG 2.96Å; H122-E157 IonicContact NE2-OE2 2.67Å; M125-E157 WeakPolarHBondContact CG-OE1 3.44Å; R130-E157 IonicContact CZ-OE1 3.87Å; R130-E157 IonicContact CZ-OE2 3.33Å; R130-E157 IonicContact NE-OE1 2.7Å; R130-E157 PolarHBondContact NE-OE1 3.29Å; R130-E157 IonicContact NE-OE2 3.09Å; R130-E157 PolarHBondContact NE-OE2 3.24Å; R130-E157 PolarHBondContact NH1-O 2.7Å; R130-E157 PolarHBondContact NH2-O 2.82Å; R130-E157 IonicContact NH2-OE1 3.18Å; R130-E157 PolarHBondContact NH2-OE1 3.31Å; R130-E157 IonicContact NH2-OE2 2.73Å
158	N	41.3	Very low	40.6	Very low	84 Å²	84	102.1 Å²	102.1	45%	0.449	55%	0.546	S	S	.	.			trans	-140.8	131.2	169.1	-105.7	-24.7	0	0	0	112.4	E156	E156-N158 PolarHBondContact OE1-ND2 2.96Å; E156-N158 PolarHBondContact OE2-ND2 3.41Å
159	T	41.8	Very low	41.2	Very low	67 Å²	67	100.5 Å²	100.5	41%	0.411	54%	0.535	S	S	.	.			cis	-145.1	161.7	12.4	45.3	0	0	0	0	111.9	N126 Y127 R130	N126-T159 CarbonylContact C-O 3.57Å; Y127-T159 VanDerWaalsContact CA-O 3.25Å; Y127-T159 WeakPolarHBondContact CA-O 3.18Å; Y127-T159 PolarHBondContact N-O 2.86Å; Y127-T159 VanDerWaalsContact N-O 3.15Å; R130-T159 VanDerWaalsContact NH2-CA 3.34Å; R130-T159 VanDerWaalsContact NH2-N 3.15Å
160	T	42.9	Very low	42	Very low	68 Å²	68	101.5 Å²	101.5	42%	0.417	54%	0.535	S	S	.	.			cis	-167.2	-9	-34.5	19.9	0	0	0	0	114.7	Y127 R130	Y127-T160 WeakPolarHBondContact CE2-OG1 3.31Å; R130-T160 VanDerWaalsContact NH1-CG2 3.34Å
161	S	40.7	Very low	42.7	Very low	20 Å²	20	104.8 Å²	104.8	14%	0.14	54%	0.538	C	S	.	.			trans	-135.4	177.8	-142.1	-160.3	0	0	0	0	119.3	Y127 E128 R131	Y127-S161 CarbonylContact O-C 3.59Å; Y127-S161 VanDerWaalsContact O-C 3.29Å; Y127-S161 VanDerWaalsContact O-CA 3.31Å; Y127-S161 WeakPolarHBondContact O-CA 3.4Å; Y127-S161 PolarHBondContact O-N 3.43Å; E128-S161 WeakPolarHBondContact CA-O 3.39Å; R131-S161 WeakPolarHBondContact CB-O 3.39Å; R131-S161 PolarHBondContact N-O 3.02Å
162	D	38.7	Very low	43.5	Very low	34 Å²	34	104.7 Å²	104.7	18%	0.182	53%	0.531	C	S	.	.			trans	27.6	136.1	163.2	-73.8	-12.2	0	0	0	124.1	E128 R131	E128-D162 WeakPolarHBondContact CA-O 3.45Å; E128-D162 HydrophobicContact CG-CB 4.36Å; R131-D162 VanDerWaalsContact CD-CA 3.43Å; R131-D162 IonicContact NH1-OD1 2.79Å; R131-D162 PolarHBondContact NH1-OD1 2.93Å
163	K	40.3	Very low	44.5	Very low	127 Å²	127	107.5 Å²	107.5	55%	0.552	54%	0.543	S	S	*	.			cis	-154.5	153.9	-2.1	-99.4	146.5	-176.3	137.4	0	105.2
164	R	37.6	Very low	45.2	Very low	180 Å²	180	110.4 Å²	110.4	68%	0.679	56%	0.555	S	S	*	*			cis	-164.5	168.6	24.9	-121.7	-178.7	-176.6	162.8	0	109.3
165	N	36.1	Very low	45.9	Very low	133 Å²	133	116.4 Å²	116.4	71%	0.711	57%	0.573	S	S	*	*			trans	43.8	105.7	147.9	-55.4	6.1	0	0	0	122.5
166	S	37	Very low	46.5	Very low	66 Å²	66	114.9 Å²	114.9	46%	0.462	58%	0.575	S	S	.	*			trans	-163.9	150.1	135.2	52.7	0	0	0	0	111.7
167	N	49.4	Very low	47.1	Very low	137 Å²	137	114 Å²	114	73%	0.733	58%	0.58	S	S	*	*			trans	52.5	60.5	159.6	-44.6	-22.3	0	0	0	117.6
168	L	54	Low	47.7	Very low	145 Å²	145	117.6 Å²	117.6	76%	0.759	61%	0.607	S	S	*	*				48.4	62.2	50.9	-155.8	74.9	0	0	0	114.5
169	S	51.6	Low	48.2	Very low	82 Å²	82	116.6 Å²	116.6	57%	0.573	61%	0.607	S	S	*	*			trans	-162.3	-28.3	162.1	60.5	0	0	0	0	113.1	F171 D172	S169-F171 PolarHBondContact O-N 3.47Å; S169-D172 PolarHBondContact O-N 3.47Å
170	Y	53.4	Low	48.8	Very low	216 Å²	216	121.6 Å²	121.6	85%	0.847	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-12.2	176.9	-169.1	-105.8	0	0	0	114.3
171	F	53.1	Low	49.2	Very low	181 Å²	181	127.9 Å²	127.9	79%	0.794	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-7.2	-179.4	-67.4	-79.7	0	0	0	113.8	S169	S169-F171 PolarHBondContact O-N 3.47Å
172	D	59.3	Low	49.6	Very low	110 Å²	110	137.8 Å²	137.8	59%	0.588	68%	0.677	S	S	*	*	S	Bend	trans	-96.2	12.1	-167.3	-69.3	-71.7	0	0	0	115.2	S169	S169-D172 PolarHBondContact O-N 3.47Å
173	N	51.9	Low	50.2	Low	142 Å²	142	143.4 Å²	143.4	76%	0.759	71%	0.707	S	S	*	*	S	Bend	trans	-135	97.4	178.7	-74.1	-97.7	0	0	0	112.3	R175	N173-R175 PolarHBondContact O-N 3.17Å
174	D	52	Low	50.7	Low	160 Å²	160	143.2 Å²	143.2	86%	0.856	72%	0.716	S	S	*	*			trans	23.4	88.7	156.8	-62.5	-24.7	0	0	0	118.4
175	R	55.3	Low	51.6	Low	193 Å²	193	142.5 Å²	142.5	73%	0.728	73%	0.726	S	S	*	*			trans	-64.3	122.8	162	-179.4	-178	-176.3	132.2	-3.6	109.5	N173 T177 S179	N173-R175 PolarHBondContact O-N 3.17Å; R175-T177 PolarHBondContact O-N 3.47Å; R175-S179 PolarHBondContact NE-OG 3.35Å; R175-S179 PolarHBondContact NH2-OG 2.7Å
176	P	55	Low	52.6	Low	98 Å²	98	142.7 Å²	142.7	64%	0.636	73%	0.732	S	S	*	*			trans	-61.5	138.3	177.2	24.2	-33.2	0	0	0	111.2	S178	P176-S178 PolarHBondContact O-N 3.18Å
177	T	54.2	Low	53.4	Low	128 Å²	128	150.6 Å²	150.6	79%	0.785	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-70.2	7.4	-166	44.6	0	0	0	0	116	R175	R175-T177 PolarHBondContact O-N 3.47Å
178	S	55.2	Low	54	Low	98 Å²	98	154.6 Å²	154.6	69%	0.685	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-84.2	-13.2	-172.9	54.7	0	0	0	0	115.4	P176 F180	P176-S178 PolarHBondContact O-N 3.18Å; S178-F180 VanDerWaalsContact C-N 3.29Å; S178-F180 PolarHBondContact O-N 2.79Å
179	S	53	Low	54.4	Low	64 Å²	64	152.9 Å²	152.9	45%	0.448	76%	0.756	S	S	.	*	G	3₁₀ helix	trans	-87.1	19.5	-175.3	83	0	0	0	0	115.3	R175	R175-S179 PolarHBondContact NE-OG 3.35Å; R175-S179 PolarHBondContact NH2-OG 2.7Å
180	F	54.6	Low	55	Low	172 Å²	172	159.5 Å²	159.5	75%	0.754	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-98.7	4.1	-176.7	-86	-80.3	0	0	0	114.2	S178	S178-F180 VanDerWaalsContact C-N 3.29Å; S178-F180 PolarHBondContact O-N 2.79Å
181	Y	51.3	Low	55.2	Low	200 Å²	200	157.7 Å²	157.7	78%	0.784	77%	0.767	S	S	*	*	S	Bend	trans	-105.1	10.5	-161.4	-112.3	-84	0	0	0	116.9
182	Y	48.3	Very low	55.3	Low	228 Å²	228	160.8 Å²	160.8	89%	0.894	78%	0.784	S	S	*	*			trans	-141.9	66.2	177.2	-76.4	-81.9	0	0	0	111.4
183	D	51.2	Low	55.1	Low	152 Å²	152	163.4 Å²	163.4	81%	0.813	79%	0.794	S	S	*	*			trans	-140.7	84.4	167.1	-171.4	6.8	0	0	0	109.6
184	T	50.6	Low	55.3	Low	123 Å²	123	164.5 Å²	164.5	76%	0.755	80%	0.796	S	S	*	*			trans	-150.7	79.9	-179.9	53.8	0	0	0	0	111
185	D	56.7	Low	55.5	Low	164 Å²	164	164.7 Å²	164.7	88%	0.877	79%	0.793	S	S	*	*			trans	-152.5	66.8	162.9	-98	-36	0	0	0	112.2
186	V	57.3	Low	55.5	Low	138 Å²	138	163.1 Å²	163.1	84%	0.836	80%	0.796	S	S	*	*			trans	21.6	104.5	156.3	-169.6	0	0	0	0	118.4
187	Y	53.2	Low	55.5	Low	232 Å²	232	167.1 Å²	167.1	91%	0.91	81%	0.806	S	S	*	*			trans	-78.7	139.3	158.5	-132.9	-92.2	0	0	0	110.9
188	R	63.1	Low	55.6	Low	220 Å²	220	169.7 Å²	169.7	83%	0.83	81%	0.808	S	S	*	*			trans	-115.8	130.8	-178.8	-162.9	-171.6	-153.1	117.5	1.3	110.7
189	P	61.2	Low	55.7	Low	110 Å²	110	174.9 Å²	174.9	71%	0.714	82%	0.817	S	S	*	*			trans	-62.6	155.7	171	-20.4	32.9	0	0	0	112
190	R	65.3	Low	55.9	Low	220 Å²	220	183.4 Å²	183.4	83%	0.83	85%	0.845	S	S	*	*			trans	-110.9	133.3	156.7	-176.4	179.6	-63.9	-170.5	1.5	107.5
191	E	58.3	Low	56	Low	179 Å²	179	184.3 Å²	184.3	84%	0.836	85%	0.852	S	S	*	*			trans	-99.4	122.2	-177.6	-62.8	162.5	-127.6	0	0	109.3
192	E	55	Low	56.4	Low	246 Å²	246	182.9 Å²	182.9	100%	1.15	86%	0.859	S	S	*	*			trans	-145.4	0	162.3	-69.2	-173.8	-135.2	0	0	108.2

Retrieved 192 of 192 residues in 33.4 ms (Link to these results)

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