A0A087WWW9_HUMAN Loading...

B-cell lymphoma/leukemia 10

AlphaFold DB , UniProt , Accession A0A087WWW9, Species HUMAN (Homo sapiens, Human), Gene BCL10, Length 222 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	39.2	Very low	52.8	Low	249 Å²	249	120.2 Å²	120.2	100%	1.227	67%	0.669	S	S	*	*				0	103	0	-95.5	161.2	166.1	0	0	106.3
2	E	40.9	Very low	54.9	Low	171 Å²	171	113.8 Å²	113.8	80%	0.799	63%	0.633	S	S	*	*			trans	-69.2	131.6	174.7	-132.7	-113.3	128.8	0	0	107.4	T4	E2-T4 PolarHBondContact O-N 2.8Å
3	P	44.3	Very low	56.5	Low	109 Å²	109	110.9 Å²	110.9	71%	0.708	62%	0.615	S	S	*	*			trans	-74.4	99.7	177.4	29.9	-28.7	0	0	0	107.2	A5	P3-A5 VanDerWaalsContact C-N 3.3Å; P3-A5 PolarHBondContact O-N 3.03Å
4	T	44.7	Very low	58.2	Low	121 Å²	121	106.5 Å²	106.5	74%	0.742	59%	0.593	S	S	*	*			trans	-57.1	99.3	168.5	-43.5	0	0	0	0	106.9	E2	E2-T4 PolarHBondContact O-N 2.8Å
5	A	52.2	Low	59.7	Low	71 Å²	71	106.3 Å²	106.3	59%	0.587	59%	0.585	S	S	*	*			trans	-45.7	144.8	167.7	0	0	0	0	0	107.9	P3 S7	P3-A5 VanDerWaalsContact C-N 3.3Å; P3-A5 PolarHBondContact O-N 3.03Å; A5-S7 PolarHBondContact O-N 3.24Å
6	P	49.8	Very low	61.3	Low	92 Å²	92	99.9 Å²	99.9	60%	0.597	55%	0.55	S	S	*	*			trans	-59.7	90.1	178	22.9	-31	0	0	0	108.9	L8 L114	P6-L8 PolarHBondContact O-N 3.19Å; P6-L8 VanDerWaalsContact O-N 3.12Å; P6-L114 HydrophobicContact CB-CD2 3.88Å
7	S	50.8	Low	62.7	Low	87 Å²	87	96.5 Å²	96.5	61%	0.608	53%	0.529	S	S	*	.			trans	-77.8	102.4	179.7	54.4	0	0	0	0	104.7	A5 T9	A5-S7 PolarHBondContact O-N 3.24Å; S7-T9 PolarHBondContact O-N 3.02Å; S7-T9 VanDerWaalsContact O-N 3.08Å
8	L	57.3	Low	64.1	Low	26 Å²	26	96.9 Å²	96.9	14%	0.136	53%	0.525	C	S	.	.			trans	-43.3	121.5	166.5	-132.5	92.9	0	0	0	107.1	P6 D12 L13 R107 L111	P6-L8 PolarHBondContact O-N 3.19Å; P6-L8 VanDerWaalsContact O-N 3.12Å; L8-D12 HydrophobicContact CB-CB 4.45Å; L8-D12 HydrophobicContact CD2-CB 3.72Å; L8-D12 HydrophobicContact CG-CB 3.64Å; L8-L13 HydrophobicContact CB-CD1 3.95Å; L8-L13 HydrophobicContact CD2-CD1 3.74Å; L8-L13 HydrophobicContact CD2-CG 4.37Å; L8-L13 HydrophobicContact CG-CD1 4.44Å; L8-R107 HydrophobicContact CD2-CG 4.09Å; L8-L111 HydrophobicContact CD1-CD2 3.63Å; L8-L111 HydrophobicContact CD1-CG 3.79Å
9	T	67.7	Low	65.3	Low	73 Å²	73	95.6 Å²	95.6	45%	0.448	52%	0.517	S	S	.	.			trans	-68	160.1	-177.4	61.8	0	0	0	0	109.5	S7 E11 D12 L13	S7-T9 PolarHBondContact O-N 3.02Å; S7-T9 VanDerWaalsContact O-N 3.08Å; T9-E11 PolarHBondContact O-N 2.76Å; T9-D12 PolarHBondContact N-OD2 3.04Å; T9-D12 WeakPolarHBondContact O-CB 3.41Å; T9-D12 PolarHBondContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-N 3.36Å; T9-D12 PolarHBondContact OG1-OD2 3.33Å; T9-L13 PolarHBondContact O-N 2.62Å
10	E	65.4	Low	66.4	Low	172 Å²	172	90.9 Å²	90.9	80%	0.804	49%	0.492	S	S	*	.	H	α-helix	trans	-56.8	-35.9	177.2	-175.3	171.7	-176.7	0	0	111.3	L13 T14	E10-L13 PolarHBondContact O-N 2.72Å; E10-T14 WeakPolarHBondContact O-CG2 2.82Å; E10-T14 PolarHBondContact O-N 3.31Å; E10-T14 VanDerWaalsContact O-N 3.16Å
11	E	68.6	Low	67.5	Low	151 Å²	151	87 Å²	87	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-61.7	-42.7	174.5	-170.1	162.9	-161.2	0	0	111.7	T9 L13 T14 E15	T9-E11 PolarHBondContact O-N 2.76Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 3.16Å; E11-T14 PolarHBondContact O-N 3.34Å; E11-T14 PolarHBondContact O-OG1 2.67Å; E11-E15 PolarHBondContact O-N 3Å; E11-E15 VanDerWaalsContact O-N 3.09Å
12	D	77.4	Confident	69.8	Low	44 Å²	44	79.9 Å²	79.9	24%	0.235	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-37.1	177.6	-66.8	-46.1	0	0	0	113.5	L8 T9 T14 V16 K110	L8-D12 HydrophobicContact CB-CB 4.45Å; L8-D12 HydrophobicContact CD2-CB 3.72Å; L8-D12 HydrophobicContact CG-CB 3.64Å; T9-D12 PolarHBondContact N-OD2 3.04Å; T9-D12 WeakPolarHBondContact O-CB 3.41Å; T9-D12 PolarHBondContact O-N 3.08Å; T9-D12 PolarHBondContact OG1-N 3.36Å; T9-D12 PolarHBondContact OG1-OD2 3.33Å; D12-T14 VanDerWaalsContact C-N 3.32Å; D12-V16 WeakPolarHBondContact O-CG2 2.98Å; D12-V16 PolarHBondContact O-N 2.98Å; D12-V16 VanDerWaalsContact O-N 3.07Å; D12-K110 HydrophobicContact CB-CD 4.27Å; D12-K110 VanDerWaalsContact CB-NZ 3.34Å; D12-K110 VanDerWaalsContact CG-CE 3.49Å; D12-K110 PolarHBondContact O-NZ 3.26Å; D12-K110 WeakPolarHBondContact OD1-CE 3.47Å; D12-K110 IonicContact OD1-NZ 2.66Å; D12-K110 PolarHBondContact OD1-NZ 3.3Å
13	L	76.8	Confident	72.1	Confident	76 Å²	76	76.7 Å²	76.7	40%	0.398	42%	0.423	S	S	.	.	H	α-helix	trans	-64.9	-37.9	174	-101.2	92.5	0	0	0	111.4	L8 T9 E10 E11 K17	L8-L13 HydrophobicContact CB-CD1 3.95Å; L8-L13 HydrophobicContact CD2-CD1 3.74Å; L8-L13 HydrophobicContact CD2-CG 4.37Å; L8-L13 HydrophobicContact CG-CD1 4.44Å; T9-L13 PolarHBondContact O-N 2.62Å; E10-L13 PolarHBondContact O-N 2.72Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-L13 PolarHBondContact O-N 3.16Å; L13-K17 WeakPolarHBondContact O-CB 3.48Å; L13-K17 VanDerWaalsContact O-CG 3.23Å; L13-K17 WeakPolarHBondContact O-CG 3.4Å; L13-K17 PolarHBondContact O-N 3.05Å
14	T	79.3	Confident	74.2	Confident	49 Å²	49	71.8 Å²	71.8	30%	0.301	39%	0.391	S	S	.	.	H	α-helix	trans	-67.3	-38.9	179.2	62.1	0	0	0	0	112.1	E10 E11 D12 K17 K18 P76	E10-T14 WeakPolarHBondContact O-CG2 2.82Å; E10-T14 PolarHBondContact O-N 3.31Å; E10-T14 VanDerWaalsContact O-N 3.16Å; E11-T14 PolarHBondContact O-N 3.34Å; E11-T14 PolarHBondContact O-OG1 2.67Å; D12-T14 VanDerWaalsContact C-N 3.32Å; T14-K17 PolarHBondContact O-N 3.12Å; T14-K18 PolarHBondContact O-N 3.09Å; T14-P76 HydrophobicContact CG2-CB 4.07Å
15	E	81.9	Confident	76.4	Confident	103 Å²	103	69 Å²	69	48%	0.481	37%	0.366	S	S	.	.	H	α-helix	trans	-65.6	-46.5	175.5	-167.4	176.1	-143.1	0	0	111.2	E11 K17 K18 D19 K110	E11-E15 PolarHBondContact O-N 3Å; E11-E15 VanDerWaalsContact O-N 3.09Å; E15-K17 PolarHBondContact O-N 3.42Å; E15-K18 WeakPolarHBondContact O-CB 3.28Å; E15-K18 PolarHBondContact O-N 3.07Å; E15-D19 PolarHBondContact O-N 3.15Å; E15-K110 IonicContact OE2-NZ 2.76Å; E15-K110 PolarHBondContact OE2-NZ 2.8Å
16	V	84.6	Confident	78.2	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-56.3	-39.3	174.4	162.5	0	0	0	0	111.9	D12 A20 V103 L106 R107 K110	D12-V16 WeakPolarHBondContact O-CG2 2.98Å; D12-V16 PolarHBondContact O-N 2.98Å; D12-V16 VanDerWaalsContact O-N 3.07Å; V16-A20 VanDerWaalsContact O-CB 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.32Å; V16-A20 PolarHBondContact O-N 3.33Å; V16-V103 HydrophobicContact CG1-CG1 4.21Å; V16-L106 HydrophobicContact CB-CB 4.46Å; V16-L106 HydrophobicContact CG1-CB 3.7Å; V16-L106 HydrophobicContact CG2-CB 4.4Å; V16-R107 HydrophobicContact CG1-CB 4.31Å; V16-K110 HydrophobicContact CG2-CB 4.38Å; V16-K110 HydrophobicContact CG2-CD 3.72Å
17	K	85.6	Confident	80.1	Confident	42 Å²	42	70.8 Å²	70.8	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-69.1	-38.5	177	-73.1	176.1	-177.2	-174.6	0	112.3	L13 T14 E15 L21 L79 D80	L13-K17 WeakPolarHBondContact O-CB 3.48Å; L13-K17 VanDerWaalsContact O-CG 3.23Å; L13-K17 WeakPolarHBondContact O-CG 3.4Å; L13-K17 PolarHBondContact O-N 3.05Å; T14-K17 PolarHBondContact O-N 3.12Å; E15-K17 PolarHBondContact O-N 3.42Å; K17-L21 PolarHBondContact O-N 2.65Å; K17-L79 HydrophobicContact CB-CD2 4.1Å; K17-L79 HydrophobicContact CG-CD2 4.08Å; K17-D80 IonicContact NZ-OD1 3.83Å; K17-D80 PolarHBondContact NZ-OD1 2.95Å; K17-D80 IonicContact NZ-OD2 3.07Å; K17-D80 PolarHBondContact NZ-OD2 3.12Å
18	K	86.6	Confident	81.9	Confident	104 Å²	104	66.7 Å²	66.7	45%	0.452	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-48.1	174.4	-79.8	-174	152.3	-173.3	0	111.3	T14 E15 A20 L21 E22 Q73	T14-K18 PolarHBondContact O-N 3.09Å; E15-K18 WeakPolarHBondContact O-CB 3.28Å; E15-K18 PolarHBondContact O-N 3.07Å; K18-A20 VanDerWaalsContact C-N 3.3Å; K18-A20 PolarHBondContact O-N 2.96Å; K18-L21 WeakPolarHBondContact O-CB 3.36Å; K18-L21 PolarHBondContact O-N 3.19Å; K18-L21 VanDerWaalsContact O-N 3.15Å; K18-E22 PolarHBondContact O-N 3.26Å; K18-Q73 WeakPolarHBondContact CE-O 3.23Å
19	D	86.9	Confident	83.4	Confident	72 Å²	72	66.2 Å²	66.2	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-36	178.4	-72.9	-9.1	0	0	0	112.2	E15 L21 E22 N23 L106	E15-D19 PolarHBondContact O-N 3.15Å; D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.17Å; D19-E22 PolarHBondContact O-N 3.2Å; D19-N23 WeakPolarHBondContact O-CB 3.46Å; D19-N23 PolarHBondContact O-N 3.29Å; D19-N23 PolarHBondContact O-ND2 3.26Å; D19-L106 HydrophobicContact CB-CD1 4.05Å; D19-L106 HydrophobicContact CB-CD2 3.7Å
20	A	89.1	Confident	84.5	Confident	1 Å²	1	68 Å²	68	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-40.5	175.9	0	0	0	0	0	111.5	V16 K18 L24 V103 L106	V16-A20 VanDerWaalsContact O-CB 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.32Å; V16-A20 PolarHBondContact O-N 3.33Å; K18-A20 VanDerWaalsContact C-N 3.3Å; K18-A20 PolarHBondContact O-N 2.96Å; A20-L24 VanDerWaalsContact O-CB 3.29Å; A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 WeakPolarHBondContact O-CG 3.29Å; A20-L24 PolarHBondContact O-N 2.9Å; A20-V103 HydrophobicContact CB-CG2 3.67Å; A20-L106 VanDerWaalsContact CA-CD1 3.4Å; A20-L106 HydrophobicContact CB-CD1 3.64Å; A20-L106 VanDerWaalsContact N-CD1 3.34Å
21	L	87.7	Confident	85.6	Confident	8 Å²	8	64 Å²	64	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-42.2	175.5	-83.2	171	0	0	0	111.9	K17 K18 D19 L24 R25 L28 L69 L72 Q73 L79	K17-L21 PolarHBondContact O-N 2.65Å; K18-L21 WeakPolarHBondContact O-CB 3.36Å; K18-L21 PolarHBondContact O-N 3.19Å; K18-L21 VanDerWaalsContact O-N 3.15Å; D19-L21 VanDerWaalsContact C-N 3.33Å; D19-L21 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 3.35Å; L21-R25 WeakPolarHBondContact O-CA 3.48Å; L21-R25 WeakPolarHBondContact O-CB 2.94Å; L21-R25 PolarHBondContact O-N 3.03Å; L21-L28 HydrophobicContact CD2-CD1 4.19Å; L21-L69 HydrophobicContact CD2-CD2 3.69Å; L21-L72 HydrophobicContact CD1-CB 4.35Å; L21-Q73 HydrophobicContact CD1-CB 4.45Å; L21-L79 HydrophobicContact CD1-CB 4.32Å; L21-L79 HydrophobicContact CD2-CD1 3.7Å; L21-L79 HydrophobicContact CG-CD1 3.94Å
22	E	88.9	Confident	86.6	Confident	100 Å²	100	57 Å²	57	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-68.4	-44.9	-179.5	-170.1	55.9	-150.1	0	0	111.5	K18 D19 L24 R25	K18-E22 PolarHBondContact O-N 3.26Å; D19-E22 PolarHBondContact O-N 3.2Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.69Å; E22-R25 WeakPolarHBondContact O-CB 3.42Å; E22-R25 PolarHBondContact O-N 3.02Å; E22-R25 VanDerWaalsContact O-N 3.12Å; E22-R25 IonicContact OE2-NH1 3.37Å
23	N	88.5	Confident	87.1	Confident	104 Å²	104	58 Å²	58	56%	0.556	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-40.3	176.1	-77.2	-51.1	0	0	0	112.4	D19 R25 E102	D19-N23 WeakPolarHBondContact O-CB 3.46Å; D19-N23 PolarHBondContact O-N 3.29Å; D19-N23 PolarHBondContact O-ND2 3.26Å; N23-R25 VanDerWaalsContact C-N 3.3Å; N23-E102 HydrophobicContact CB-CG 4.5Å
24	L	88.8	Confident	87.6	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-83.9	-4.5	178.9	-70.6	172.8	0	0	0	113.3	A20 L21 E22 V26 Y27 L28 K98 I99 E102	A20-L24 VanDerWaalsContact O-CB 3.29Å; A20-L24 WeakPolarHBondContact O-CB 3.5Å; A20-L24 WeakPolarHBondContact O-CG 3.29Å; A20-L24 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.35Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.69Å; L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.4Å; L24-Y27 WeakPolarHBondContact O-CA 3.31Å; L24-Y27 WeakPolarHBondContact O-CB 3.41Å; L24-Y27 PolarHBondContact O-N 3.08Å; L24-L28 HydrophobicContact CB-CD1 3.86Å; L24-L28 HydrophobicContact CB-CG 3.84Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.23Å; L24-K98 HydrophobicContact CD2-CD 4.38Å; L24-K98 HydrophobicContact CD2-CG 3.84Å; L24-I99 HydrophobicContact CD1-CB 4.37Å; L24-I99 HydrophobicContact CD1-CG1 3.93Å; L24-E102 HydrophobicContact CD1-CB 3.78Å; L24-E102 HydrophobicContact CD1-CG 4.26Å; L24-E102 HydrophobicContact CG-CB 4.15Å; L24-E102 HydrophobicContact CG-CG 4.09Å
25	R	89.9	Confident	88	Confident	61 Å²	61	56.7 Å²	56.7	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-49.5	-50.3	-172.5	-174.5	179.1	-176.1	83.9	6.1	112.7	L21 E22 N23 Y27 C29 L69 D70	L21-R25 WeakPolarHBondContact O-CA 3.48Å; L21-R25 WeakPolarHBondContact O-CB 2.94Å; L21-R25 PolarHBondContact O-N 3.03Å; E22-R25 WeakPolarHBondContact O-CB 3.42Å; E22-R25 PolarHBondContact O-N 3.02Å; E22-R25 VanDerWaalsContact O-N 3.12Å; E22-R25 IonicContact OE2-NH1 3.37Å; N23-R25 VanDerWaalsContact C-N 3.3Å; R25-Y27 VanDerWaalsContact C-N 3.33Å; R25-Y27 PolarHBondContact O-N 3.4Å; R25-C29 VanDerWaalsContact O-CB 3.28Å; R25-C29 WeakPolarHBondContact O-CB 3.49Å; R25-C29 PolarHBondContact O-N 3.49Å; R25-C29 PolarHBondContact O-SG 3.27Å; R25-L69 HydrophobicContact CG-CD1 4.35Å; R25-D70 IonicContact CZ-OD1 2.73Å; R25-D70 IonicContact NH1-OD1 3.95Å; R25-D70 PolarHBondContact NH1-OD1 2.92Å; R25-D70 IonicContact NH2-OD1 3.72Å; R25-D70 PolarHBondContact NH2-OD1 3.17Å; R25-D70 IonicContact NH2-OD2 2.84Å
26	V	90.4	Very high	88.3	Confident	123 Å²	123	58.5 Å²	58.5	75%	0.745	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-43.6	-179.4	-178.5	0	0	0	0	111.2	L24	L24-V26 VanDerWaalsContact C-N 3.31Å; L24-V26 PolarHBondContact O-N 3.4Å
27	Y	90.6	Very high	88.4	Confident	79 Å²	79	58.4 Å²	58.4	31%	0.31	28%	0.275	S	S	.	.	H	α-helix	trans	-71.2	-46.6	-178.2	-174.8	-100.3	0	0	0	112.2	L24 R25 C29 E30 K31 F94 L95 K98	L24-Y27 WeakPolarHBondContact O-CA 3.31Å; L24-Y27 WeakPolarHBondContact O-CB 3.41Å; L24-Y27 PolarHBondContact O-N 3.08Å; R25-Y27 VanDerWaalsContact C-N 3.33Å; R25-Y27 PolarHBondContact O-N 3.4Å; Y27-C29 VanDerWaalsContact C-N 3.33Å; Y27-C29 PolarHBondContact O-N 2.62Å; Y27-E30 PolarHBondContact O-N 2.89Å; Y27-E30 VanDerWaalsContact O-N 3.13Å; Y27-K31 HydrophobicContact CD1-CG 4.38Å; Y27-K31 HydrophobicContact CE1-CG 3.99Å; Y27-K31 HydrophobicContact CE2-CG 4.17Å; Y27-K31 PolarHBondContact O-N 2.94Å; Y27-F94 HydrophobicContact CE1-CE2 4.22Å; Y27-F94 VanDerWaalsContact OH-CE2 3.27Å; Y27-F94 WeakPolarHBondContact OH-CE2 3.36Å; Y27-L95 HydrophobicContact CD1-CD1 4.08Å; Y27-L95 HydrophobicContact CE1-CD1 3.69Å; Y27-K98 HydrophobicContact CD1-CG 4.36Å; Y27-K98 HydrophobicContact CE1-CG 4.09Å
28	L	88.1	Confident	88.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-38.2	179.3	-64	-177.3	0	0	0	111.2	L21 L24 E30 K31 I32 L69 L95 I99	L21-L28 HydrophobicContact CD2-CD1 4.19Å; L24-L28 HydrophobicContact CB-CD1 3.86Å; L24-L28 HydrophobicContact CB-CG 3.84Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.23Å; L28-E30 PolarHBondContact O-N 2.72Å; L28-E30 VanDerWaalsContact O-N 3.14Å; L28-K31 PolarHBondContact O-N 3.03Å; L28-I32 HydrophobicContact CB-CD1 3.84Å; L28-I32 HydrophobicContact CB-CG1 4.22Å; L28-I32 HydrophobicContact CD1-CD1 4.41Å; L28-I32 HydrophobicContact CD2-CD1 3.99Å; L28-I32 HydrophobicContact CD2-CG1 4.37Å; L28-I32 HydrophobicContact CG-CD1 4.25Å; L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.35Å; L28-I32 PolarHBondContact O-N 2.69Å; L28-L69 HydrophobicContact CB-CD1 3.81Å; L28-L69 HydrophobicContact CB-CD2 4.28Å; L28-L69 HydrophobicContact CD1-CD1 4.47Å; L28-L69 HydrophobicContact CD1-CD2 3.75Å; L28-L95 HydrophobicContact CD2-CD1 3.35Å; L28-L95 HydrophobicContact CD2-CD2 4.22Å; L28-L95 HydrophobicContact CD2-CG 3.95Å; L28-I99 HydrophobicContact CD2-CD1 4.22Å; L28-I99 HydrophobicContact CD2-CG1 4.25Å
29	C	89.7	Confident	88.7	Confident	16 Å²	16	58.2 Å²	58.2	11%	0.108	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-25.8	175.6	-73.3	0	0	0	0	113.3	R25 Y27 R62 G66	R25-C29 VanDerWaalsContact O-CB 3.28Å; R25-C29 WeakPolarHBondContact O-CB 3.49Å; R25-C29 PolarHBondContact O-N 3.49Å; R25-C29 PolarHBondContact O-SG 3.27Å; Y27-C29 VanDerWaalsContact C-N 3.33Å; Y27-C29 PolarHBondContact O-N 2.62Å; C29-R62 HydrophobicContact CB-CG 3.86Å; C29-R62 WeakPolarHBondContact O-CA 3.38Å; C29-G66 WeakPolarHBondContact SG-CA 3.34Å; C29-G66 PolarHBondContact SG-N 3.08Å
30	E	90.2	Very high	88.8	Confident	111 Å²	111	55.6 Å²	55.6	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-91.3	-34.5	179.5	-174.4	158.1	-120.7	0	0	113.3	Y27 L28 R62	Y27-E30 PolarHBondContact O-N 2.89Å; Y27-E30 VanDerWaalsContact O-N 3.13Å; L28-E30 PolarHBondContact O-N 2.72Å; L28-E30 VanDerWaalsContact O-N 3.14Å; E30-R62 IonicContact OE1-NH2 2.8Å; E30-R62 PolarHBondContact OE1-NH2 3.38Å
31	K	88.5	Confident	88.7	Confident	87 Å²	87	55.5 Å²	55.5	38%	0.378	27%	0.265	S	S	.	.	H	α-helix	trans	-95.5	-26.2	-175.3	-57.7	-54.6	179.2	-170.3	0	113.9	Y27 L28 Q92 F94 L95	Y27-K31 HydrophobicContact CD1-CG 4.38Å; Y27-K31 HydrophobicContact CE1-CG 3.99Å; Y27-K31 HydrophobicContact CE2-CG 4.17Å; Y27-K31 PolarHBondContact O-N 2.94Å; L28-K31 PolarHBondContact O-N 3.03Å; K31-Q92 PolarHBondContact O-NE2 2.89Å; K31-Q92 PolarHBondContact O-OE1 3.03Å; K31-F94 HydrophobicContact CB-CZ 4.37Å; K31-F94 HydrophobicContact CG-CE2 4.4Å; K31-F94 HydrophobicContact CG-CZ 4.49Å; K31-L95 HydrophobicContact CB-CD1 4.38Å
32	I	88.3	Confident	88.8	Confident	4 Å²	4	61 Å²	61	2%	0.021	29%	0.285	C	S	.	.			trans	-83.5	134.8	-178.9	-64.5	-172.7	0	0	0	111.1	L28 A65 L68 L82 L95	L28-I32 HydrophobicContact CB-CD1 3.84Å; L28-I32 HydrophobicContact CB-CG1 4.22Å; L28-I32 HydrophobicContact CD1-CD1 4.41Å; L28-I32 HydrophobicContact CD2-CD1 3.99Å; L28-I32 HydrophobicContact CD2-CG1 4.37Å; L28-I32 HydrophobicContact CG-CD1 4.25Å; L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.35Å; L28-I32 PolarHBondContact O-N 2.69Å; I32-A65 HydrophobicContact CB-CB 4.43Å; I32-L68 HydrophobicContact CG2-CD2 4.43Å; I32-L82 HydrophobicContact CD1-CD1 4.21Å; I32-L82 HydrophobicContact CD1-CD2 3.87Å; I32-L82 HydrophobicContact CD1-CG 4.46Å; I32-L95 HydrophobicContact CD1-CD2 4.02Å; I32-L95 HydrophobicContact CG1-CD2 3.56Å
33	I	88.7	Confident	88.8	Confident	65 Å²	65	60 Å²	60	33%	0.333	29%	0.294	S	S	.	.			trans	-104.9	100.4	167.5	-56.7	175.4	0	0	0	107.3	E35 R36 H37	I33-E35 HydrophobicContact CG2-CB 4.28Å; I33-E35 PolarHBondContact O-N 2.95Å; I33-R36 HydrophobicContact CB-CG 4.46Å; I33-R36 HydrophobicContact CG2-CG 4.14Å; I33-R36 PolarHBondContact O-N 3.48Å; I33-H37 PolarHBondContact O-CD2 3.42Å; I33-H37 VanDerWaalsContact O-CD2 3.26Å
34	A	88.4	Confident	88.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.7	-37.5	-174.8	0	0	0	0	0	112.9	R36 H37 F38 I55 R64 L68	A34-R36 PolarHBondContact O-N 3.42Å; A34-H37 PolarHBondContact O-N 3.11Å; A34-F38 HydrophobicContact CB-CE1 3.92Å; A34-F38 HydrophobicContact CB-CZ 3.92Å; A34-F38 WeakPolarHBondContact O-CD1 3.26Å; A34-F38 PolarHBondContact O-N 3.01Å; A34-I55 HydrophobicContact CB-CG2 4.46Å; A34-R64 HydrophobicContact CB-CB 4.22Å; A34-L68 HydrophobicContact CB-CB 4.39Å; A34-L68 HydrophobicContact CB-CD2 3.84Å
35	E	86.5	Confident	88.7	Confident	99 Å²	99	67.7 Å²	67.7	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-54.9	-37.4	-179.4	-63.5	175.3	-161.6	0	0	113.3	I33 H37 F38 R64	I33-E35 HydrophobicContact CG2-CB 4.28Å; I33-E35 PolarHBondContact O-N 2.95Å; E35-H37 PolarHBondContact O-N 3.14Å; E35-F38 HydrophobicContact CB-CE2 4.49Å; E35-F38 HydrophobicContact CG-CE2 4.34Å; E35-R64 IonicContact OE1-CZ 3.64Å; E35-R64 IonicContact OE1-NH1 3.04Å; E35-R64 PolarHBondContact OE1-NH1 3.36Å; E35-R64 IonicContact OE1-NH2 3.8Å; E35-R64 PolarHBondContact OE1-NH2 2.87Å
36	R	87.8	Confident	88.6	Confident	141 Å²	141	65.9 Å²	65.9	53%	0.532	32%	0.317	S	S	.	.	H	α-helix	trans	-71.8	-19.6	-179.2	-70.8	-178.9	167.3	-92.9	-3.7	113	I33 A34 E89	I33-R36 HydrophobicContact CB-CG 4.46Å; I33-R36 HydrophobicContact CG2-CG 4.14Å; I33-R36 PolarHBondContact O-N 3.48Å; A34-R36 PolarHBondContact O-N 3.42Å; R36-E89 WeakPolarHBondContact CD-OE1 3.44Å; R36-E89 IonicContact CZ-OE1 2.6Å; R36-E89 IonicContact NE-OE1 3.35Å; R36-E89 IonicContact NH1-OE1 2.75Å; R36-E89 PolarHBondContact NH1-OE1 2.96Å
37	H	88.1	Confident	88.4	Confident	3 Å²	3	60.3 Å²	60.3	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-103.6	-9.1	-173.1	-58	-52.6	0	0	0	113.6	I33 A34 E35 D39 H40 L41 S85	I33-H37 PolarHBondContact O-CD2 3.42Å; I33-H37 VanDerWaalsContact O-CD2 3.26Å; A34-H37 PolarHBondContact O-N 3.11Å; E35-H37 PolarHBondContact O-N 3.14Å; H37-D39 PolarHBondContact O-N 3.28Å; H37-H40 PolarHBondContact O-N 3.38Å; H37-L41 HydrophobicContact CB-CD1 3.98Å; H37-L41 WeakPolarHBondContact O-CB 3.43Å; H37-L41 WeakPolarHBondContact O-CD1 3.46Å; H37-L41 VanDerWaalsContact O-CG 3.25Å; H37-L41 WeakPolarHBondContact O-CG 3.42Å; H37-L41 PolarHBondContact O-N 3.36Å; H37-S85 PolarHBondContact ND1-OG 3.42Å
38	F	88.7	Confident	88.3	Confident	26 Å²	26	59.1 Å²	59.1	11%	0.114	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-43.9	-176.8	-67.2	-29.3	0	0	0	113.5	A34 E35 H40 L41 R42 T52 I55	A34-F38 HydrophobicContact CB-CE1 3.92Å; A34-F38 HydrophobicContact CB-CZ 3.92Å; A34-F38 WeakPolarHBondContact O-CD1 3.26Å; A34-F38 PolarHBondContact O-N 3.01Å; E35-F38 HydrophobicContact CB-CE2 4.49Å; E35-F38 HydrophobicContact CG-CE2 4.34Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; F38-L41 PolarHBondContact O-N 3.01Å; F38-R42 VanDerWaalsContact O-CB 3.26Å; F38-R42 WeakPolarHBondContact O-CB 3.25Å; F38-R42 PolarHBondContact O-N 3.04Å; F38-T52 HydrophobicContact CB-CG2 4.05Å; F38-T52 HydrophobicContact CD1-CG2 3.85Å; F38-T52 HydrophobicContact CG-CG2 4.01Å; F38-I55 HydrophobicContact CE1-CB 4.22Å; F38-I55 HydrophobicContact CE1-CD1 4.3Å; F38-I55 HydrophobicContact CE1-CG2 3.95Å; F38-I55 HydrophobicContact CZ-CB 4Å; F38-I55 HydrophobicContact CZ-CG2 3.68Å
39	D	89.7	Confident	88.4	Confident	115 Å²	115	66.1 Å²	66.1	62%	0.615	31%	0.312	S	S	*	.	H	α-helix	trans	-59.9	-42.3	-178.9	-73.7	-31.2	0	0	0	112	H37 R42 A43	H37-D39 PolarHBondContact O-N 3.28Å; D39-R42 IonicContact OD1-NH2 3.79Å; D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 2.88Å
40	H	87.6	Confident	88.4	Confident	17 Å²	17	71.4 Å²	71.4	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-71.6	-43.6	179.3	-172.7	81.1	0	0	0	112.2	H37 F38 R42 A43 K44 E84 S85 R88	H37-H40 PolarHBondContact O-N 3.38Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; H40-R42 VanDerWaalsContact C-N 3.33Å; H40-R42 PolarHBondContact O-N 3.37Å; H40-A43 PolarHBondContact O-N 3.05Å; H40-K44 WeakPolarHBondContact O-CG 3.43Å; H40-K44 PolarHBondContact O-N 3.19Å; H40-K44 VanDerWaalsContact O-N 3.08Å; H40-E84 IonicContact CE1-OE1 3.53Å; H40-S85 VanDerWaalsContact CD2-CB 3.43Å; H40-S85 WeakPolarHBondContact CD2-CB 3.38Å; H40-R88 PolarHBondContact CE1-NE 3.46Å; H40-R88 PolarHBondContact CE1-NH2 3.39Å; H40-R88 VanDerWaalsContact CE1-NH2 3.29Å; H40-R88 VanDerWaalsContact ND1-CZ 3.31Å; H40-R88 PolarHBondContact ND1-NE 2.93Å; H40-R88 PolarHBondContact ND1-NH1 2.89Å
41	L	88.7	Confident	88.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-37.8	179.7	-71	166.9	0	0	0	112.1	H37 F38 K44 K45 I46 L47 L68 L72 T81	H37-L41 HydrophobicContact CB-CD1 3.98Å; H37-L41 WeakPolarHBondContact O-CB 3.43Å; H37-L41 WeakPolarHBondContact O-CD1 3.46Å; H37-L41 VanDerWaalsContact O-CG 3.25Å; H37-L41 WeakPolarHBondContact O-CG 3.42Å; H37-L41 PolarHBondContact O-N 3.36Å; F38-L41 PolarHBondContact O-N 3.01Å; L41-K44 PolarHBondContact O-N 3.23Å; L41-K45 PolarHBondContact O-N 3.42Å; L41-I46 PolarHBondContact O-N 3.15Å; L41-L47 HydrophobicContact CB-CD1 4.03Å; L41-L47 HydrophobicContact CB-CG 4.35Å; L41-L47 HydrophobicContact CD1-CD1 3.92Å; L41-L68 HydrophobicContact CD1-CD1 3.45Å; L41-L68 VanDerWaalsContact CD1-CD1 3.45Å; L41-L68 HydrophobicContact CD1-CD2 4.21Å; L41-L68 HydrophobicContact CD1-CG 4.45Å; L41-L72 HydrophobicContact CD2-CD2 3.91Å; L41-T81 HydrophobicContact CD2-CG2 3.85Å
42	R	88.9	Confident	88.6	Confident	122 Å²	122	64.3 Å²	64.3	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-42.6	173.8	-169.5	177.7	68.6	-176.7	-2.4	111.7	F38 D39 H40 K44 K45	F38-R42 VanDerWaalsContact O-CB 3.26Å; F38-R42 WeakPolarHBondContact O-CB 3.25Å; F38-R42 PolarHBondContact O-N 3.04Å; D39-R42 IonicContact OD1-NH2 3.79Å; H40-R42 VanDerWaalsContact C-N 3.33Å; H40-R42 PolarHBondContact O-N 3.37Å; R42-K44 PolarHBondContact O-N 2.98Å; R42-K45 PolarHBondContact O-N 3.2Å
43	A	89.4	Confident	88.7	Confident	79 Å²	79	67.3 Å²	67.3	65%	0.653	32%	0.319	S	S	*	.	H	α-helix	trans	-60.4	-31.6	176.3	0	0	0	0	0	112.6	D39 H40 K45	D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 2.88Å; H40-A43 PolarHBondContact O-N 3.05Å; A43-K45 VanDerWaalsContact C-N 3.32Å
44	K	87.5	Confident	88.8	Confident	87 Å²	87	67.9 Å²	67.9	38%	0.378	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2	177.7	-68.9	-82.6	-172.7	160.2	0	113.8	H40 L41 R42 I46 T81 E84	H40-K44 WeakPolarHBondContact O-CG 3.43Å; H40-K44 PolarHBondContact O-N 3.19Å; H40-K44 VanDerWaalsContact O-N 3.08Å; L41-K44 PolarHBondContact O-N 3.23Å; R42-K44 PolarHBondContact O-N 2.98Å; K44-I46 HydrophobicContact CB-CG1 4.08Å; K44-I46 PolarHBondContact O-N 3.44Å; K44-T81 HydrophobicContact CB-CG2 3.62Å; K44-T81 HydrophobicContact CD-CG2 4.47Å; K44-T81 HydrophobicContact CG-CG2 3.71Å; K44-E84 WeakPolarHBondContact CE-OE2 3.48Å; K44-E84 VanDerWaalsContact NZ-CD 3.32Å; K44-E84 IonicContact NZ-OE1 2.65Å; K44-E84 PolarHBondContact NZ-OE1 2.9Å; K44-E84 IonicContact NZ-OE2 3.2Å; K44-E84 PolarHBondContact NZ-OE2 3.32Å
45	K	86.8	Confident	89	Confident	186 Å²	186	68 Å²	68	81%	0.809	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	29.6	-179.8	-58.1	-177.5	177.2	-179.7	0	113.8	L41 R42 A43	L41-K45 PolarHBondContact O-N 3.42Å; R42-K45 PolarHBondContact O-N 3.2Å; A43-K45 VanDerWaalsContact C-N 3.32Å
46	I	87.9	Confident	89	Confident	24 Å²	24	65.6 Å²	65.6	12%	0.123	32%	0.315	C	S	.	.	S	Bend	trans	-84	-32.5	173.2	-54.7	-58.7	0	0	0	110.5	L41 K44 L72 N75 K77 T81	L41-I46 PolarHBondContact O-N 3.15Å; K44-I46 HydrophobicContact CB-CG1 4.08Å; K44-I46 PolarHBondContact O-N 3.44Å; I46-L72 HydrophobicContact CG2-CD2 3.76Å; I46-N75 HydrophobicContact CG2-CB 4.08Å; I46-K77 HydrophobicContact CD1-CB 4.35Å; I46-T81 HydrophobicContact CG1-CG2 3.91Å
47	L	85.8	Confident	88.9	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	32%	0.324	C	S	.	.	S	Bend	trans	-120.1	142.9	173.1	-64.8	178.1	0	0	0	110.2	L41 D51 T52 I55 L68 Y71	L41-L47 HydrophobicContact CB-CD1 4.03Å; L41-L47 HydrophobicContact CB-CG 4.35Å; L41-L47 HydrophobicContact CD1-CD1 3.92Å; L47-D51 HydrophobicContact CB-CB 4.4Å; L47-D51 HydrophobicContact CD2-CB 4.11Å; L47-T52 HydrophobicContact CB-CG2 4.05Å; L47-T52 HydrophobicContact CD1-CG2 4.04Å; L47-I55 HydrophobicContact CD1-CD1 4.14Å; L47-L68 HydrophobicContact CD1-CD1 3.62Å; L47-Y71 VanDerWaalsContact CD2-CB 3.43Å; L47-Y71 HydrophobicContact CD2-CD1 4.4Å; L47-Y71 HydrophobicContact CD2-CD2 4.25Å; L47-Y71 HydrophobicContact CD2-CG 3.81Å
48	S	89.5	Confident	89	Confident	53 Å²	53	68.1 Å²	68.1	37%	0.371	34%	0.34	S	S	.	.			trans	-81.2	166.9	167.5	76	0	0	0	0	111.1	E50 D51 T52	S48-E50 PolarHBondContact O-N 3.29Å; S48-E50 PolarHBondContact OG-N 3Å; S48-D51 VanDerWaalsContact CB-OD2 3.28Å; S48-D51 WeakPolarHBondContact CB-OD2 3.39Å; S48-D51 PolarHBondContact N-OD2 3.01Å; S48-D51 PolarHBondContact O-N 3.45Å; S48-D51 PolarHBondContact OG-N 3.37Å; S48-D51 PolarHBondContact OG-OD2 2.92Å; S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 3.37Å
49	R	90.2	Very high	88.9	Confident	147 Å²	147	73.1 Å²	73.1	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-58.6	-39.8	174.1	-179.4	179.6	177.8	-75.7	-8.6	111.1	T52 E53	R49-T52 PolarHBondContact O-N 3.2Å; R49-T52 PolarHBondContact O-OG1 2.87Å; R49-E53 IonicContact CZ-OE1 3.85Å; R49-E53 IonicContact CZ-OE2 3.11Å; R49-E53 IonicContact NE-OE1 2.98Å; R49-E53 PolarHBondContact NE-OE1 2.98Å; R49-E53 IonicContact NH1-OE1 3.84Å; R49-E53 PolarHBondContact NH1-OE1 2.75Å; R49-E53 VanDerWaalsContact NH1-OE1 3.07Å; R49-E53 IonicContact NH1-OE2 2.71Å; R49-E53 PolarHBondContact NH1-OE2 2.88Å; R49-E53 IonicContact NH2-OE1 3Å; R49-E53 PolarHBondContact NH2-OE1 3.26Å; R49-E53 IonicContact NH2-OE2 2.66Å; R49-E53 WeakPolarHBondContact O-CG 3.14Å; R49-E53 PolarHBondContact O-N 3.45Å; R49-E53 VanDerWaalsContact O-N 3.11Å
50	E	90.2	Very high	88.8	Confident	128 Å²	128	69.8 Å²	69.8	60%	0.598	36%	0.358	S	S	*	.	H	α-helix	trans	-62.1	-46.8	178.8	-164.9	67.7	-160.6	0	0	111.1	S48 T52 E53 E54	S48-E50 PolarHBondContact O-N 3.29Å; S48-E50 PolarHBondContact OG-N 3Å; E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 PolarHBondContact O-N 3.32Å; E50-E53 PolarHBondContact O-N 3.27Å; E50-E53 VanDerWaalsContact O-N 3.08Å; E50-E54 PolarHBondContact O-N 3.19Å
51	D	90.9	Very high	88.9	Confident	36 Å²	36	71 Å²	71	19%	0.193	37%	0.369	C	S	.	.	H	α-helix	trans	-61.6	-41.7	-179.5	-53.2	-45	0	0	0	111.2	L47 S48 E53 E54 I55 Y71	L47-D51 HydrophobicContact CB-CB 4.4Å; L47-D51 HydrophobicContact CD2-CB 4.11Å; S48-D51 VanDerWaalsContact CB-OD2 3.28Å; S48-D51 WeakPolarHBondContact CB-OD2 3.39Å; S48-D51 PolarHBondContact N-OD2 3.01Å; S48-D51 PolarHBondContact O-N 3.45Å; S48-D51 PolarHBondContact OG-N 3.37Å; S48-D51 PolarHBondContact OG-OD2 2.92Å; D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 3.05Å; D51-E54 PolarHBondContact O-N 3.3Å; D51-I55 WeakPolarHBondContact O-CB 3.36Å; D51-I55 WeakPolarHBondContact O-CD1 3.25Å; D51-I55 WeakPolarHBondContact O-CG1 3.31Å; D51-I55 PolarHBondContact O-N 3.45Å; D51-Y71 HydrophobicContact CB-CE1 4.37Å; D51-Y71 HydrophobicContact CB-CE2 4.49Å
52	T	90.9	Very high	88.9	Confident	12 Å²	12	78.2 Å²	78.2	7%	0.074	40%	0.396	C	S	.	.	H	α-helix	trans	-64	-36.8	177	55.1	0	0	0	0	112.2	F38 L47 S48 R49 E50 S56	F38-T52 HydrophobicContact CB-CG2 4.05Å; F38-T52 HydrophobicContact CD1-CG2 3.85Å; F38-T52 HydrophobicContact CG-CG2 4.01Å; L47-T52 HydrophobicContact CB-CG2 4.05Å; L47-T52 HydrophobicContact CD1-CG2 4.04Å; S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 3.37Å; R49-T52 PolarHBondContact O-N 3.2Å; R49-T52 PolarHBondContact O-OG1 2.87Å; E50-T52 VanDerWaalsContact C-N 3.31Å; E50-T52 PolarHBondContact O-N 3.32Å; T52-S56 VanDerWaalsContact O-CB 3.31Å; T52-S56 WeakPolarHBondContact O-CB 3.32Å; T52-S56 PolarHBondContact O-N 3.27Å
53	E	90.8	Very high	89	Confident	67 Å²	67	78.5 Å²	78.5	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-68.9	-46.1	177.2	-73.8	175.3	-179.6	0	0	110.3	R49 E50 D51 I55 S56 C57	R49-E53 IonicContact CZ-OE1 3.85Å; R49-E53 IonicContact CZ-OE2 3.11Å; R49-E53 IonicContact NE-OE1 2.98Å; R49-E53 PolarHBondContact NE-OE1 2.98Å; R49-E53 IonicContact NH1-OE1 3.84Å; R49-E53 PolarHBondContact NH1-OE1 2.75Å; R49-E53 VanDerWaalsContact NH1-OE1 3.07Å; R49-E53 IonicContact NH1-OE2 2.71Å; R49-E53 PolarHBondContact NH1-OE2 2.88Å; R49-E53 IonicContact NH2-OE1 3Å; R49-E53 PolarHBondContact NH2-OE1 3.26Å; R49-E53 IonicContact NH2-OE2 2.66Å; R49-E53 WeakPolarHBondContact O-CG 3.14Å; R49-E53 PolarHBondContact O-N 3.45Å; R49-E53 VanDerWaalsContact O-N 3.11Å; E50-E53 PolarHBondContact O-N 3.27Å; E50-E53 VanDerWaalsContact O-N 3.08Å; D51-E53 VanDerWaalsContact C-N 3.29Å; D51-E53 PolarHBondContact O-N 3.05Å; E53-I55 VanDerWaalsContact C-N 3.33Å; E53-I55 PolarHBondContact O-N 2.92Å; E53-S56 PolarHBondContact O-N 3.46Å; E53-S56 VanDerWaalsContact O-N 3.07Å; E53-S56 PolarHBondContact O-OG 2.66Å; E53-C57 PolarHBondContact O-N 3.07Å; E53-C57 PolarHBondContact O-SG 3.4Å
54	E	91.5	Very high	89.1	Confident	78 Å²	78	76.9 Å²	76.9	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-44.1	175.8	-166.4	-165.6	142.8	0	0	112.1	E50 D51 R58 Y71	E50-E54 PolarHBondContact O-N 3.19Å; D51-E54 PolarHBondContact O-N 3.3Å; E54-R58 IonicContact OE1-CZ 3.99Å; E54-R58 IonicContact OE1-NH2 3.86Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å; E54-Y71 PolarHBondContact OE2-OH 3.33Å
55	I	91.2	Very high	89.3	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-48.6	175.3	-62.1	161	0	0	0	108.7	A34 F38 L47 D51 E53 C57 R58 R64 K67 L68 Y71	A34-I55 HydrophobicContact CB-CG2 4.46Å; F38-I55 HydrophobicContact CE1-CB 4.22Å; F38-I55 HydrophobicContact CE1-CD1 4.3Å; F38-I55 HydrophobicContact CE1-CG2 3.95Å; F38-I55 HydrophobicContact CZ-CB 4Å; F38-I55 HydrophobicContact CZ-CG2 3.68Å; L47-I55 HydrophobicContact CD1-CD1 4.14Å; D51-I55 WeakPolarHBondContact O-CB 3.36Å; D51-I55 WeakPolarHBondContact O-CD1 3.25Å; D51-I55 WeakPolarHBondContact O-CG1 3.31Å; D51-I55 PolarHBondContact O-N 3.45Å; E53-I55 VanDerWaalsContact C-N 3.33Å; E53-I55 PolarHBondContact O-N 2.92Å; I55-C57 VanDerWaalsContact C-N 3.26Å; I55-C57 PolarHBondContact O-N 3.11Å; I55-R58 WeakPolarHBondContact O-CG 3.16Å; I55-R58 PolarHBondContact O-N 2.73Å; I55-R58 VanDerWaalsContact O-N 3.14Å; I55-R64 HydrophobicContact CG2-CB 3.86Å; I55-R64 HydrophobicContact CG2-CG 4.39Å; I55-R64 WeakPolarHBondContact CG2-O 3.32Å; I55-R64 WeakPolarHBondContact O-CD 3.29Å; I55-R64 WeakPolarHBondContact O-CG 3.49Å; I55-K67 HydrophobicContact CG1-CB 4.09Å; I55-L68 HydrophobicContact CD1-CB 4.29Å; I55-Y71 HydrophobicContact CD1-CD2 3.89Å; I55-Y71 HydrophobicContact CD1-CE2 4.09Å; I55-Y71 HydrophobicContact CG1-CD2 4.32Å; I55-Y71 HydrophobicContact CG1-CE2 4.08Å
56	S	86.1	Confident	89.5	Confident	49 Å²	49	64.3 Å²	64.3	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-34.6	-177.2	80.6	0	0	0	0	113.8	T52 E53 R58	T52-S56 VanDerWaalsContact O-CB 3.31Å; T52-S56 WeakPolarHBondContact O-CB 3.32Å; T52-S56 PolarHBondContact O-N 3.27Å; E53-S56 PolarHBondContact O-N 3.46Å; E53-S56 VanDerWaalsContact O-N 3.07Å; E53-S56 PolarHBondContact O-OG 2.66Å; S56-R58 PolarHBondContact O-N 3.04Å
57	C	87.4	Confident	89.7	Confident	105 Å²	105	66.8 Å²	66.8	71%	0.709	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-7	-179.7	-69	0	0	0	0	114.1	E53 I55	E53-C57 PolarHBondContact O-N 3.07Å; E53-C57 PolarHBondContact O-SG 3.4Å; I55-C57 VanDerWaalsContact C-N 3.26Å; I55-C57 PolarHBondContact O-N 3.11Å
58	R	90.4	Very high	90	Very high	93 Å²	93	66.5 Å²	66.5	35%	0.351	33%	0.334	S	S	.	.	S	Bend	trans	-73.6	144.5	176.3	-50.7	-66.6	-178	170.1	-2	110.9	E54 I55 S56 S60 K63 R64	E54-R58 IonicContact OE1-CZ 3.99Å; E54-R58 IonicContact OE1-NH2 3.86Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å; I55-R58 WeakPolarHBondContact O-CG 3.16Å; I55-R58 PolarHBondContact O-N 2.73Å; I55-R58 VanDerWaalsContact O-N 3.14Å; S56-R58 PolarHBondContact O-N 3.04Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 3.48Å; R58-K63 HydrophobicContact CB-CB 4.27Å; R58-R64 HydrophobicContact CB-CG 3.67Å; R58-R64 HydrophobicContact CG-CG 4.38Å; R58-R64 WeakPolarHBondContact O-CD 3.5Å
59	T	84.9	Confident	90	Very high	130 Å²	130	64.2 Å²	64.2	80%	0.798	32%	0.317	S	S	*	.	S	Bend	trans	-69.2	-21.8	-170.5	54.3	0	0	0	0	115.7
60	S	88.8	Confident	90	Very high	45 Å²	45	59 Å²	59	32%	0.315	30%	0.3	S	S	.	.	S	Bend	trans	-134.1	142	-177.8	73.5	0	0	0	0	112.5	R58 R62 K63 R64	R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 3.48Å; S60-R62 PolarHBondContact O-N 3.2Å; S60-R62 VanDerWaalsContact O-N 3.15Å; S60-K63 PolarHBondContact O-N 3.34Å; S60-K63 VanDerWaalsContact OG-CG 3.31Å; S60-K63 WeakPolarHBondContact OG-CG 3.5Å; S60-K63 PolarHBondContact OG-N 2.9Å; S60-R64 WeakPolarHBondContact O-CG 3.41Å; S60-R64 PolarHBondContact O-N 2.98Å
61	S	88.4	Confident	89.9	Confident	43 Å²	43	55.6 Å²	55.6	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-50.7	-40.1	176.8	-162.3	0	0	0	0	113	K63 R64 A65	S61-K63 PolarHBondContact O-N 3.16Å; S61-R64 WeakPolarHBondContact O-CB 3.4Å; S61-R64 PolarHBondContact O-N 3.34Å; S61-A65 PolarHBondContact O-N 3.39Å
62	R	89.4	Confident	89.7	Confident	151 Å²	151	53.9 Å²	53.9	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-61.9	-43.6	177.9	-169.2	-179.1	-71.1	135	-4.5	112.6	C29 E30 S60 R64 G66	C29-R62 HydrophobicContact CB-CG 3.86Å; C29-R62 WeakPolarHBondContact O-CA 3.38Å; E30-R62 IonicContact OE1-NH2 2.8Å; E30-R62 PolarHBondContact OE1-NH2 3.38Å; S60-R62 PolarHBondContact O-N 3.2Å; S60-R62 VanDerWaalsContact O-N 3.15Å; R62-R64 VanDerWaalsContact C-N 3.31Å; R62-G66 PolarHBondContact O-N 3.42Å
63	K	91.2	Very high	89.6	Confident	129 Å²	129	55.8 Å²	55.8	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-67.4	-34.9	176.4	-72.9	-180	179.5	-174.7	0	111.7	R58 S60 S61 G66 K67	R58-K63 HydrophobicContact CB-CB 4.27Å; S60-K63 PolarHBondContact O-N 3.34Å; S60-K63 VanDerWaalsContact OG-CG 3.31Å; S60-K63 WeakPolarHBondContact OG-CG 3.5Å; S60-K63 PolarHBondContact OG-N 2.9Å; S61-K63 PolarHBondContact O-N 3.16Å; K63-G66 PolarHBondContact O-N 3.35Å; K63-K67 PolarHBondContact O-N 3.39Å
64	R	92.2	Very high	89.3	Confident	45 Å²	45	58.7 Å²	58.7	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-50.3	175.5	-64.3	-173.2	-76.5	175.2	19.2	111.4	A34 E35 I55 R58 S60 S61 R62 G66 K67 L68	A34-R64 HydrophobicContact CB-CB 4.22Å; E35-R64 IonicContact OE1-CZ 3.64Å; E35-R64 IonicContact OE1-NH1 3.04Å; E35-R64 PolarHBondContact OE1-NH1 3.36Å; E35-R64 IonicContact OE1-NH2 3.8Å; E35-R64 PolarHBondContact OE1-NH2 2.87Å; I55-R64 HydrophobicContact CG2-CB 3.86Å; I55-R64 HydrophobicContact CG2-CG 4.39Å; I55-R64 WeakPolarHBondContact CG2-O 3.32Å; I55-R64 WeakPolarHBondContact O-CD 3.29Å; I55-R64 WeakPolarHBondContact O-CG 3.49Å; R58-R64 HydrophobicContact CB-CG 3.67Å; R58-R64 HydrophobicContact CG-CG 4.38Å; R58-R64 WeakPolarHBondContact O-CD 3.5Å; S60-R64 WeakPolarHBondContact O-CG 3.41Å; S60-R64 PolarHBondContact O-N 2.98Å; S61-R64 WeakPolarHBondContact O-CB 3.4Å; S61-R64 PolarHBondContact O-N 3.34Å; R62-R64 VanDerWaalsContact C-N 3.31Å; R64-G66 VanDerWaalsContact C-N 3.33Å; R64-G66 PolarHBondContact O-N 2.94Å; R64-K67 PolarHBondContact O-N 2.86Å; R64-L68 WeakPolarHBondContact O-CB 3.26Å; R64-L68 PolarHBondContact O-N 2.92Å
65	A	91.1	Very high	89	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-41.2	176.1	0	0	0	0	0	111.9	I32 S61 K67 L68 L69	I32-A65 HydrophobicContact CB-CB 4.43Å; S61-A65 PolarHBondContact O-N 3.39Å; A65-K67 PolarHBondContact O-N 3.48Å; A65-L68 WeakPolarHBondContact O-CB 3.17Å; A65-L68 PolarHBondContact O-N 3.5Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 2.75Å
66	G	91.6	Very high	88.4	Confident	7 Å²	7	61.6 Å²	61.6	7%	0.072	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-46.7	175.2	0	0	0	0	0	113.1	C29 R62 K63 R64 L69 D70	C29-G66 WeakPolarHBondContact SG-CA 3.34Å; C29-G66 PolarHBondContact SG-N 3.08Å; R62-G66 PolarHBondContact O-N 3.42Å; K63-G66 PolarHBondContact O-N 3.35Å; R64-G66 VanDerWaalsContact C-N 3.33Å; R64-G66 PolarHBondContact O-N 2.94Å; G66-L69 PolarHBondContact O-N 3.36Å; G66-D70 PolarHBondContact O-N 3.2Å; G66-D70 VanDerWaalsContact O-N 3.09Å
67	K	91.7	Very high	88.3	Confident	76 Å²	76	66.1 Å²	66.1	33%	0.33	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-39.6	176.1	-79.3	-69.1	175.3	-163.2	0	112.9	I55 K63 R64 A65 L69 D70 Y71	I55-K67 HydrophobicContact CG1-CB 4.09Å; K63-K67 PolarHBondContact O-N 3.39Å; R64-K67 PolarHBondContact O-N 2.86Å; A65-K67 PolarHBondContact O-N 3.48Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 3.5Å; K67-D70 IonicContact NZ-OD2 3.86Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 3.48Å; K67-D70 VanDerWaalsContact O-N 3.17Å; K67-Y71 WeakPolarHBondContact O-CD2 3.36Å; K67-Y71 PolarHBondContact O-N 3.41Å
68	L	90.6	Very high	88.3	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-55.5	-47.1	172.7	169	62.1	0	0	0	111.2	I32 A34 L41 L47 I55 R64 A65 D70 Y71 L72	I32-L68 HydrophobicContact CG2-CD2 4.43Å; A34-L68 HydrophobicContact CB-CB 4.39Å; A34-L68 HydrophobicContact CB-CD2 3.84Å; L41-L68 HydrophobicContact CD1-CD1 3.45Å; L41-L68 VanDerWaalsContact CD1-CD1 3.45Å; L41-L68 HydrophobicContact CD1-CD2 4.21Å; L41-L68 HydrophobicContact CD1-CG 4.45Å; L47-L68 HydrophobicContact CD1-CD1 3.62Å; I55-L68 HydrophobicContact CD1-CB 4.29Å; R64-L68 WeakPolarHBondContact O-CB 3.26Å; R64-L68 PolarHBondContact O-N 2.92Å; A65-L68 WeakPolarHBondContact O-CB 3.17Å; A65-L68 PolarHBondContact O-N 3.5Å; L68-D70 VanDerWaalsContact C-N 3.29Å; L68-D70 PolarHBondContact O-N 3.47Å; L68-Y71 PolarHBondContact O-N 3.38Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.16Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.08Å; L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å
69	L	89.9	Confident	88.1	Confident	5 Å²	5	57 Å²	57	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-35.8	178.6	-63.5	166.6	0	0	0	112.2	L21 R25 L28 A65 G66 K67 Y71 L72 Q73 L82	L21-L69 HydrophobicContact CD2-CD2 3.69Å; R25-L69 HydrophobicContact CG-CD1 4.35Å; L28-L69 HydrophobicContact CB-CD1 3.81Å; L28-L69 HydrophobicContact CB-CD2 4.28Å; L28-L69 HydrophobicContact CD1-CD1 4.47Å; L28-L69 HydrophobicContact CD1-CD2 3.75Å; A65-L69 VanDerWaalsContact O-CG 3.29Å; A65-L69 WeakPolarHBondContact O-CG 3.47Å; A65-L69 PolarHBondContact O-N 2.75Å; G66-L69 PolarHBondContact O-N 3.36Å; K67-L69 VanDerWaalsContact C-N 3.3Å; K67-L69 PolarHBondContact O-N 3.5Å; L69-Y71 VanDerWaalsContact C-N 3.3Å; L69-Y71 PolarHBondContact O-N 3.09Å; L69-L72 HydrophobicContact CD2-CD1 4.4Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-L72 VanDerWaalsContact O-N 3.11Å; L69-Q73 PolarHBondContact O-N 3.49Å; L69-L82 HydrophobicContact CD2-CD2 4.21Å
70	D	90.3	Very high	88.3	Confident	36 Å²	36	54.5 Å²	54.5	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-36.6	175.3	-65.1	-19.3	0	0	0	112.7	R25 G66 K67 L68 Q73 E74	R25-D70 IonicContact CZ-OD1 2.73Å; R25-D70 IonicContact NH1-OD1 3.95Å; R25-D70 PolarHBondContact NH1-OD1 2.92Å; R25-D70 IonicContact NH2-OD1 3.72Å; R25-D70 PolarHBondContact NH2-OD1 3.17Å; R25-D70 IonicContact NH2-OD2 2.84Å; G66-D70 PolarHBondContact O-N 3.2Å; G66-D70 VanDerWaalsContact O-N 3.09Å; K67-D70 IonicContact NZ-OD2 3.86Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 3.48Å; K67-D70 VanDerWaalsContact O-N 3.17Å; L68-D70 VanDerWaalsContact C-N 3.29Å; L68-D70 PolarHBondContact O-N 3.47Å; D70-Q73 WeakPolarHBondContact O-CG 3.36Å; D70-Q73 PolarHBondContact O-NE2 3.28Å; D70-E74 WeakPolarHBondContact O-CG 3.38Å
71	Y	88.6	Confident	88.4	Confident	58 Å²	58	52.8 Å²	52.8	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-78.7	-28.6	175.3	-71.1	-77.4	0	0	0	112.6	L47 D51 E54 I55 K67 L68 L69 E74 N75	L47-Y71 VanDerWaalsContact CD2-CB 3.43Å; L47-Y71 HydrophobicContact CD2-CD1 4.4Å; L47-Y71 HydrophobicContact CD2-CD2 4.25Å; L47-Y71 HydrophobicContact CD2-CG 3.81Å; D51-Y71 HydrophobicContact CB-CE1 4.37Å; D51-Y71 HydrophobicContact CB-CE2 4.49Å; E54-Y71 PolarHBondContact OE2-OH 3.33Å; I55-Y71 HydrophobicContact CD1-CD2 3.89Å; I55-Y71 HydrophobicContact CD1-CE2 4.09Å; I55-Y71 HydrophobicContact CG1-CD2 4.32Å; I55-Y71 HydrophobicContact CG1-CE2 4.08Å; K67-Y71 WeakPolarHBondContact O-CD2 3.36Å; K67-Y71 PolarHBondContact O-N 3.41Å; L68-Y71 PolarHBondContact O-N 3.38Å; L69-Y71 VanDerWaalsContact C-N 3.3Å; L69-Y71 PolarHBondContact O-N 3.09Å; Y71-E74 PolarHBondContact O-N 3.23Å; Y71-N75 PolarHBondContact O-ND2 3.28Å
72	L	87.7	Confident	88.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-72.8	-32.6	179.1	-65.8	176.4	0	0	0	112.3	L21 L41 I46 L68 L69 E74 N75 L82	L21-L72 HydrophobicContact CD1-CB 4.35Å; L41-L72 HydrophobicContact CD2-CD2 3.91Å; I46-L72 HydrophobicContact CG2-CD2 3.76Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.16Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.08Å; L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å; L69-L72 HydrophobicContact CD2-CD1 4.4Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-L72 VanDerWaalsContact O-N 3.11Å; L72-E74 VanDerWaalsContact C-N 3.29Å; L72-E74 PolarHBondContact O-N 3.48Å; L72-N75 PolarHBondContact O-N 3.04Å; L72-L82 HydrophobicContact CD1-CB 3.98Å; L72-L82 HydrophobicContact CD1-CD1 4.2Å; L72-L82 HydrophobicContact CD1-CD2 3.81Å; L72-L82 HydrophobicContact CD1-CG 4.21Å
73	Q	88	Confident	88.4	Confident	52 Å²	52	45 Å²	45	24%	0.243	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-29.5	173.5	59.3	173.9	8.8	0	0	112.6	K18 L21 L69 D70 N75	K18-Q73 WeakPolarHBondContact CE-O 3.23Å; L21-Q73 HydrophobicContact CD1-CB 4.45Å; L69-Q73 PolarHBondContact O-N 3.49Å; D70-Q73 WeakPolarHBondContact O-CG 3.36Å; D70-Q73 PolarHBondContact O-NE2 3.28Å; Q73-N75 PolarHBondContact O-N 2.9Å
74	E	85.1	Confident	88.3	Confident	128 Å²	128	41 Å²	41	60%	0.598	20%	0.202	S	C	*	.	H	α-helix	trans	-69.9	-20.9	177.9	-62.3	-55.4	141	0	0	112.2	D70 Y71 L72	D70-E74 WeakPolarHBondContact O-CG 3.38Å; Y71-E74 PolarHBondContact O-N 3.23Å; L72-E74 VanDerWaalsContact C-N 3.29Å; L72-E74 PolarHBondContact O-N 3.48Å
75	N	83.8	Confident	88.2	Confident	56 Å²	56	39 Å²	39	30%	0.299	20%	0.195	S	C	.	.	S	Bend	trans	-106.5	127.6	-176.3	-74.2	-84.8	0	0	0	111.2	I46 Y71 L72 Q73 K77 G78	I46-N75 HydrophobicContact CG2-CB 4.08Å; Y71-N75 PolarHBondContact O-ND2 3.28Å; L72-N75 PolarHBondContact O-N 3.04Å; Q73-N75 PolarHBondContact O-N 2.9Å; N75-K77 PolarHBondContact O-N 2.87Å; N75-G78 PolarHBondContact O-N 2.71Å
76	P	78.8	Confident	88	Confident	84 Å²	84	39 Å²	39	55%	0.545	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.7	179.6	25.9	-34.7	0	0	0	113.4	T14	T14-P76 HydrophobicContact CG2-CB 4.07Å
77	K	84.5	Confident	87.8	Confident	144 Å²	144	46 Å²	46	63%	0.626	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	6.9	177.3	-60.6	-178.5	-177.5	177.5	0	113.3	I46 N75 T81	I46-K77 HydrophobicContact CD1-CB 4.35Å; N75-K77 PolarHBondContact O-N 2.87Å; K77-T81 WeakPolarHBondContact O-CB 3.21Å; K77-T81 PolarHBondContact O-N 2.66Å; K77-T81 PolarHBondContact O-OG1 2.92Å
78	G	86.8	Confident	87.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-50	-176.8	0	0	0	0	0	111.7	N75 T81 L82	N75-G78 PolarHBondContact O-N 2.71Å; G78-T81 PolarHBondContact O-N 3.37Å; G78-L82 PolarHBondContact O-N 3.18Å
79	L	87.3	Confident	87.1	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-46.8	179.4	-173.3	61.1	0	0	0	112.7	K17 L21 T81 L82 V83 I99 V103	K17-L79 HydrophobicContact CB-CD2 4.1Å; K17-L79 HydrophobicContact CG-CD2 4.08Å; L21-L79 HydrophobicContact CD1-CB 4.32Å; L21-L79 HydrophobicContact CD2-CD1 3.7Å; L21-L79 HydrophobicContact CG-CD1 3.94Å; L79-T81 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.35Å; L79-L82 WeakPolarHBondContact O-CB 3.31Å; L79-L82 PolarHBondContact O-N 3.41Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.31Å; L79-I99 HydrophobicContact CD1-CG2 3.66Å; L79-I99 HydrophobicContact CD2-CG2 4.14Å; L79-I99 HydrophobicContact CG-CG2 4.08Å; L79-V103 HydrophobicContact CD2-CG2 3.6Å
80	D	88.6	Confident	86.3	Confident	76 Å²	76	59.9 Å²	59.9	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-39	-179.6	-60.6	-45.5	0	0	0	111.2	K17 V83 E84	K17-D80 IonicContact NZ-OD1 3.83Å; K17-D80 PolarHBondContact NZ-OD1 2.95Å; K17-D80 IonicContact NZ-OD2 3.07Å; K17-D80 PolarHBondContact NZ-OD2 3.12Å; D80-V83 PolarHBondContact O-N 3.4Å; D80-E84 PolarHBondContact O-N 3.23Å
81	T	90.6	Very high	85.2	Confident	10 Å²	10	62.2 Å²	62.2	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-68	-39.4	177.3	-52.5	0	0	0	0	111.6	L41 K44 I46 K77 G78 L79 E84 S85	L41-T81 HydrophobicContact CD2-CG2 3.85Å; K44-T81 HydrophobicContact CB-CG2 3.62Å; K44-T81 HydrophobicContact CD-CG2 4.47Å; K44-T81 HydrophobicContact CG-CG2 3.71Å; I46-T81 HydrophobicContact CG1-CG2 3.91Å; K77-T81 WeakPolarHBondContact O-CB 3.21Å; K77-T81 PolarHBondContact O-N 2.66Å; K77-T81 PolarHBondContact O-OG1 2.92Å; G78-T81 PolarHBondContact O-N 3.37Å; L79-T81 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.35Å; T81-E84 PolarHBondContact O-N 3.42Å; T81-S85 PolarHBondContact O-N 3.41Å
82	L	88.8	Confident	84.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-42.3	174.5	-178.8	66.2	0	0	0	111.4	I32 L69 L72 G78 L79 E84 S85 I86	I32-L82 HydrophobicContact CD1-CD1 4.21Å; I32-L82 HydrophobicContact CD1-CD2 3.87Å; I32-L82 HydrophobicContact CD1-CG 4.46Å; L69-L82 HydrophobicContact CD2-CD2 4.21Å; L72-L82 HydrophobicContact CD1-CB 3.98Å; L72-L82 HydrophobicContact CD1-CD1 4.2Å; L72-L82 HydrophobicContact CD1-CD2 3.81Å; L72-L82 HydrophobicContact CD1-CG 4.21Å; G78-L82 PolarHBondContact O-N 3.18Å; L79-L82 WeakPolarHBondContact O-CB 3.31Å; L79-L82 PolarHBondContact O-N 3.41Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 3.06Å; L82-S85 PolarHBondContact O-N 3.33Å; L82-S85 PolarHBondContact O-OG 3.38Å; L82-I86 HydrophobicContact CD1-CD1 4.26Å; L82-I86 HydrophobicContact CD1-CG1 4.5Å; L82-I86 HydrophobicContact CG-CD1 3.89Å; L82-I86 WeakPolarHBondContact O-CD1 3.42Å; L82-I86 WeakPolarHBondContact O-CG1 3.21Å; L82-I86 PolarHBondContact O-N 2.98Å
83	V	88.8	Confident	84.3	Confident	30 Å²	30	65.6 Å²	65.6	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-42.1	174.4	171.4	0	0	0	0	110.6	L79 D80 I86 R87 I96 I99	L79-V83 WeakPolarHBondContact O-CG2 3.34Å; L79-V83 PolarHBondContact O-N 3.31Å; D80-V83 PolarHBondContact O-N 3.4Å; V83-I86 PolarHBondContact O-N 3.03Å; V83-R87 WeakPolarHBondContact O-CB 3.47Å; V83-R87 PolarHBondContact O-N 3.35Å; V83-I96 HydrophobicContact CG1-CG1 4.44Å; V83-I96 HydrophobicContact CG1-CG2 3.95Å; V83-I99 HydrophobicContact CG2-CB 4.43Å; V83-I99 HydrophobicContact CG2-CD1 4.24Å; V83-I99 HydrophobicContact CG2-CG2 3.76Å
84	E	90.2	Very high	84.3	Confident	46 Å²	46	67.9 Å²	67.9	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-40	176.1	-162	-175.8	155	0	0	112.1	H40 K44 D80 T81 L82 R87 R88	H40-E84 IonicContact CE1-OE1 3.53Å; K44-E84 WeakPolarHBondContact CE-OE2 3.48Å; K44-E84 VanDerWaalsContact NZ-CD 3.32Å; K44-E84 IonicContact NZ-OE1 2.65Å; K44-E84 PolarHBondContact NZ-OE1 2.9Å; K44-E84 IonicContact NZ-OE2 3.2Å; K44-E84 PolarHBondContact NZ-OE2 3.32Å; D80-E84 PolarHBondContact O-N 3.23Å; T81-E84 PolarHBondContact O-N 3.42Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 3.06Å; E84-R87 PolarHBondContact O-N 3.2Å; E84-R88 PolarHBondContact O-N 3.46Å; E84-R88 IonicContact OE1-CZ 2.69Å; E84-R88 IonicContact OE1-NE 3.56Å; E84-R88 IonicContact OE1-NH2 3.42Å; E84-R88 PolarHBondContact OE1-NH2 2.73Å
85	S	89.1	Confident	84.4	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-44.3	176.8	70.3	0	0	0	0	111.7	H37 H40 T81 L82 R87 R88 E89	H37-S85 PolarHBondContact ND1-OG 3.42Å; H40-S85 VanDerWaalsContact CD2-CB 3.43Å; H40-S85 WeakPolarHBondContact CD2-CB 3.38Å; T81-S85 PolarHBondContact O-N 3.41Å; L82-S85 PolarHBondContact O-N 3.33Å; L82-S85 PolarHBondContact O-OG 3.38Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 2.94Å; S85-R88 PolarHBondContact O-N 3.26Å; S85-E89 PolarHBondContact O-N 2.86Å
86	I	88.1	Confident	84.7	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-39.5	177.1	-64.7	160	0	0	0	110.3	L82 V83 R88 E89 K90 Q92 L95 I96 I99	L82-I86 HydrophobicContact CD1-CD1 4.26Å; L82-I86 HydrophobicContact CD1-CG1 4.5Å; L82-I86 HydrophobicContact CG-CD1 3.89Å; L82-I86 WeakPolarHBondContact O-CD1 3.42Å; L82-I86 WeakPolarHBondContact O-CG1 3.21Å; L82-I86 PolarHBondContact O-N 2.98Å; V83-I86 PolarHBondContact O-N 3.03Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 2.82Å; I86-E89 PolarHBondContact O-N 3.16Å; I86-K90 PolarHBondContact O-N 3.24Å; I86-Q92 HydrophobicContact CG2-CB 4.03Å; I86-Q92 WeakPolarHBondContact CG2-O 3.37Å; I86-L95 HydrophobicContact CD1-CD2 3.57Å; I86-L95 HydrophobicContact CD1-CG 4.09Å; I86-L95 HydrophobicContact CG1-CD2 4.24Å; I86-L95 HydrophobicContact CG2-CB 4.38Å; I86-I96 HydrophobicContact CB-CD1 4.44Å; I86-I96 HydrophobicContact CB-CG1 4.11Å; I86-I96 HydrophobicContact CG2-CD1 4.02Å; I86-I96 HydrophobicContact CG2-CG1 3.64Å; I86-I99 HydrophobicContact CD1-CD1 3.98Å
87	R	86.9	Confident	85.3	Confident	154 Å²	154	62 Å²	62	58%	0.581	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-36.8	177.6	-167.1	176	69.4	-169.6	1	112.3	V83 E84 S85 I96	V83-R87 WeakPolarHBondContact O-CB 3.47Å; V83-R87 PolarHBondContact O-N 3.35Å; E84-R87 PolarHBondContact O-N 3.2Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 2.94Å; R87-I96 HydrophobicContact CB-CD1 3.76Å; R87-I96 HydrophobicContact CG-CD1 4.22Å
88	R	85.8	Confident	85.6	Confident	150 Å²	150	58.9 Å²	58.9	57%	0.566	27%	0.273	S	S	*	.	H	α-helix	trans	-71.2	-39.1	175.4	-72.9	-170.3	-165.1	-169.8	3.9	112.6	H40 E84 S85 I86 K90	H40-R88 PolarHBondContact CE1-NE 3.46Å; H40-R88 PolarHBondContact CE1-NH2 3.39Å; H40-R88 VanDerWaalsContact CE1-NH2 3.29Å; H40-R88 VanDerWaalsContact ND1-CZ 3.31Å; H40-R88 PolarHBondContact ND1-NE 2.93Å; H40-R88 PolarHBondContact ND1-NH1 2.89Å; E84-R88 PolarHBondContact O-N 3.46Å; E84-R88 IonicContact OE1-CZ 2.69Å; E84-R88 IonicContact OE1-NE 3.56Å; E84-R88 IonicContact OE1-NH2 3.42Å; E84-R88 PolarHBondContact OE1-NH2 2.73Å; S85-R88 PolarHBondContact O-N 3.26Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 2.82Å; R88-K90 PolarHBondContact O-N 3.26Å
89	E	81.2	Confident	85.7	Confident	56 Å²	56	59 Å²	59	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-24.7	179.1	-161	69.8	-169.1	0	0	111.4	R36 S85 I86 T91	R36-E89 WeakPolarHBondContact CD-OE1 3.44Å; R36-E89 IonicContact CZ-OE1 2.6Å; R36-E89 IonicContact NE-OE1 3.35Å; R36-E89 IonicContact NH1-OE1 2.75Å; R36-E89 PolarHBondContact NH1-OE1 2.96Å; S85-E89 PolarHBondContact O-N 2.86Å; I86-E89 PolarHBondContact O-N 3.16Å; E89-T91 HydrophobicContact CG-CG2 4.17Å; E89-T91 WeakPolarHBondContact CG-OG1 3.23Å; E89-T91 WeakPolarHBondContact O-CG2 3.49Å; E89-T91 PolarHBondContact O-N 3.2Å
90	K	73.8	Confident	85.8	Confident	167 Å²	167	61.4 Å²	61.4	73%	0.726	29%	0.288	S	S	*	.			trans	55.8	5.7	179.2	-65	179.7	-177	175	0	115.4	I86 R88	I86-K90 PolarHBondContact O-N 3.24Å; R88-K90 PolarHBondContact O-N 3.26Å
91	T	66.1	Low	85.9	Confident	85 Å²	85	61.3 Å²	61.3	52%	0.521	29%	0.288	S	S	.	.	S	Bend	trans	-88.7	-19.3	-175.5	46.5	0	0	0	0	113	E89	E89-T91 HydrophobicContact CG-CG2 4.17Å; E89-T91 WeakPolarHBondContact CG-OG1 3.23Å; E89-T91 WeakPolarHBondContact O-CG2 3.49Å; E89-T91 PolarHBondContact O-N 3.2Å
92	Q	71.4	Confident	85.8	Confident	22 Å²	22	61.8 Å²	61.8	10%	0.103	29%	0.289	C	S	.	.			trans	-141.2	56.5	-168.7	-53.4	-170.6	42.2	0	0	113.4	K31 I86 F94 L95	K31-Q92 PolarHBondContact O-NE2 2.89Å; K31-Q92 PolarHBondContact O-OE1 3.03Å; I86-Q92 HydrophobicContact CG2-CB 4.03Å; I86-Q92 WeakPolarHBondContact CG2-O 3.37Å; Q92-F94 HydrophobicContact CB-CD1 4.19Å; Q92-F94 HydrophobicContact CB-CE1 3.7Å; Q92-F94 HydrophobicContact CB-CZ 4.24Å; Q92-F94 HydrophobicContact CG-CE1 3.92Å; Q92-F94 HydrophobicContact CG-CZ 4.4Å; Q92-F94 PolarHBondContact O-N 2.76Å; Q92-L95 HydrophobicContact CB-CB 3.95Å; Q92-L95 VanDerWaalsContact O-CB 3.29Å; Q92-L95 WeakPolarHBondContact O-CB 3.38Å; Q92-L95 PolarHBondContact O-N 3.07Å
93	N	86.3	Confident	85.8	Confident	107 Å²	107	63.4 Å²	63.4	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-58.1	-31.4	175.5	-69.1	-27	0	0	0	112.7	L95 I96 Q97	N93-L95 PolarHBondContact O-N 3.19Å; N93-I96 PolarHBondContact O-N 2.97Å; N93-Q97 PolarHBondContact O-N 2.79Å; N93-Q97 VanDerWaalsContact O-N 3.1Å
94	F	88.3	Confident	85.7	Confident	99 Å²	99	66.5 Å²	66.5	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-31.6	175.2	76.8	-91.3	0	0	0	112.3	Y27 K31 Q92 Q97 K98	Y27-F94 HydrophobicContact CE1-CE2 4.22Å; Y27-F94 VanDerWaalsContact OH-CE2 3.27Å; Y27-F94 WeakPolarHBondContact OH-CE2 3.36Å; K31-F94 HydrophobicContact CB-CZ 4.37Å; K31-F94 HydrophobicContact CG-CE2 4.4Å; K31-F94 HydrophobicContact CG-CZ 4.49Å; Q92-F94 HydrophobicContact CB-CD1 4.19Å; Q92-F94 HydrophobicContact CB-CE1 3.7Å; Q92-F94 HydrophobicContact CB-CZ 4.24Å; Q92-F94 HydrophobicContact CG-CE1 3.92Å; Q92-F94 HydrophobicContact CG-CZ 4.4Å; Q92-F94 PolarHBondContact O-N 2.76Å; F94-Q97 PolarHBondContact O-N 3.14Å; F94-K98 WeakPolarHBondContact O-CB 3.41Å; F94-K98 PolarHBondContact O-N 3.3Å
95	L	88.2	Confident	85.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-38.8	-178.8	-164.2	63.5	0	0	0	110.7	Y27 L28 K31 I32 I86 Q92 N93 Q97 K98 I99	Y27-L95 HydrophobicContact CD1-CD1 4.08Å; Y27-L95 HydrophobicContact CE1-CD1 3.69Å; L28-L95 HydrophobicContact CD2-CD1 3.35Å; L28-L95 HydrophobicContact CD2-CD2 4.22Å; L28-L95 HydrophobicContact CD2-CG 3.95Å; K31-L95 HydrophobicContact CB-CD1 4.38Å; I32-L95 HydrophobicContact CD1-CD2 4.02Å; I32-L95 HydrophobicContact CG1-CD2 3.56Å; I86-L95 HydrophobicContact CD1-CD2 3.57Å; I86-L95 HydrophobicContact CD1-CG 4.09Å; I86-L95 HydrophobicContact CG1-CD2 4.24Å; I86-L95 HydrophobicContact CG2-CB 4.38Å; Q92-L95 HydrophobicContact CB-CB 3.95Å; Q92-L95 VanDerWaalsContact O-CB 3.29Å; Q92-L95 WeakPolarHBondContact O-CB 3.38Å; Q92-L95 PolarHBondContact O-N 3.07Å; N93-L95 PolarHBondContact O-N 3.19Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-K98 PolarHBondContact O-N 3.32Å; L95-I99 HydrophobicContact CG-CD1 4.17Å; L95-I99 WeakPolarHBondContact O-CB 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.48Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.45Å
96	I	89.6	Confident	85.4	Confident	32 Å²	32	70.6 Å²	70.6	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-47.1	172.4	-59.9	172.9	0	0	0	110	V83 I86 R87 N93 K98 I99 T100	V83-I96 HydrophobicContact CG1-CG1 4.44Å; V83-I96 HydrophobicContact CG1-CG2 3.95Å; I86-I96 HydrophobicContact CB-CD1 4.44Å; I86-I96 HydrophobicContact CB-CG1 4.11Å; I86-I96 HydrophobicContact CG2-CD1 4.02Å; I86-I96 HydrophobicContact CG2-CG1 3.64Å; R87-I96 HydrophobicContact CB-CD1 3.76Å; R87-I96 HydrophobicContact CG-CD1 4.22Å; N93-I96 PolarHBondContact O-N 2.97Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 2.91Å; I96-I99 PolarHBondContact O-N 3.4Å; I96-T100 WeakPolarHBondContact O-CB 3.18Å; I96-T100 PolarHBondContact O-N 3.08Å; I96-T100 PolarHBondContact O-OG1 3.33Å
97	Q	90.4	Very high	85.2	Confident	112 Å²	112	76.4 Å²	76.4	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-48.8	177.2	-170.8	65.8	45.6	0	0	110.3	N93 F94 L95 I99 T100 D101	N93-Q97 PolarHBondContact O-N 2.79Å; N93-Q97 VanDerWaalsContact O-N 3.1Å; F94-Q97 PolarHBondContact O-N 3.14Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-I99 PolarHBondContact O-N 3.47Å; Q97-T100 PolarHBondContact O-N 2.89Å; Q97-D101 PolarHBondContact NE2-OD1 3.47Å; Q97-D101 WeakPolarHBondContact O-CB 3.13Å; Q97-D101 PolarHBondContact O-N 3.04Å
98	K	91.2	Very high	85	Confident	80 Å²	80	73.4 Å²	73.4	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-42.8	-179	-173.5	60.8	178.3	168.7	0	112.9	L24 Y27 F94 L95 I96 E102	L24-K98 HydrophobicContact CD2-CD 4.38Å; L24-K98 HydrophobicContact CD2-CG 3.84Å; Y27-K98 HydrophobicContact CD1-CG 4.36Å; Y27-K98 HydrophobicContact CE1-CG 4.09Å; F94-K98 WeakPolarHBondContact O-CB 3.41Å; F94-K98 PolarHBondContact O-N 3.3Å; L95-K98 PolarHBondContact O-N 3.32Å; I96-K98 VanDerWaalsContact C-N 3.34Å; I96-K98 PolarHBondContact O-N 2.91Å; K98-E102 IonicContact NZ-OE2 2.96Å; K98-E102 PolarHBondContact O-N 3.03Å; K98-E102 VanDerWaalsContact O-N 3.08Å
99	I	88.6	Confident	84.8	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-46.5	175.6	-70	165.1	0	0	0	110.3	L24 L28 L79 V83 I86 L95 I96 Q97 E102 V103	L24-I99 HydrophobicContact CD1-CB 4.37Å; L24-I99 HydrophobicContact CD1-CG1 3.93Å; L28-I99 HydrophobicContact CD2-CD1 4.22Å; L28-I99 HydrophobicContact CD2-CG1 4.25Å; L79-I99 HydrophobicContact CD1-CG2 3.66Å; L79-I99 HydrophobicContact CD2-CG2 4.14Å; L79-I99 HydrophobicContact CG-CG2 4.08Å; V83-I99 HydrophobicContact CG2-CB 4.43Å; V83-I99 HydrophobicContact CG2-CD1 4.24Å; V83-I99 HydrophobicContact CG2-CG2 3.76Å; I86-I99 HydrophobicContact CD1-CD1 3.98Å; L95-I99 HydrophobicContact CG-CD1 4.17Å; L95-I99 WeakPolarHBondContact O-CB 3.29Å; L95-I99 WeakPolarHBondContact O-CD1 3.48Å; L95-I99 VanDerWaalsContact O-CG1 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.38Å; L95-I99 PolarHBondContact O-N 3.45Å; I96-I99 PolarHBondContact O-N 3.4Å; Q97-I99 PolarHBondContact O-N 3.47Å; I99-E102 PolarHBondContact O-N 2.99Å; I99-V103 HydrophobicContact CG2-CG2 4.44Å; I99-V103 VanDerWaalsContact O-CG2 3.32Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 3.49Å
100	T	89.1	Confident	84.7	Confident	57 Å²	57	69.2 Å²	69.2	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-43.3	-179.1	-53.5	0	0	0	0	111.2	I96 Q97 E102 V103 L104	I96-T100 WeakPolarHBondContact O-CB 3.18Å; I96-T100 PolarHBondContact O-N 3.08Å; I96-T100 PolarHBondContact O-OG1 3.33Å; Q97-T100 PolarHBondContact O-N 2.89Å; T100-E102 VanDerWaalsContact C-N 3.34Å; T100-E102 PolarHBondContact O-N 3.2Å; T100-V103 PolarHBondContact O-N 3.02Å; T100-L104 HydrophobicContact CG2-CD1 3.91Å; T100-L104 HydrophobicContact CG2-CG 4.31Å; T100-L104 VanDerWaalsContact O-CB 3.32Å; T100-L104 WeakPolarHBondContact O-CB 3.49Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.36Å; T100-L104 PolarHBondContact O-N 2.84Å
101	D	91.1	Very high	84.6	Confident	73 Å²	73	63.1 Å²	63.1	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-44	176.7	-70.8	-10.3	0	0	0	111.1	Q97 L104 K105	Q97-D101 PolarHBondContact NE2-OD1 3.47Å; Q97-D101 WeakPolarHBondContact O-CB 3.13Å; Q97-D101 PolarHBondContact O-N 3.04Å; D101-L104 PolarHBondContact O-N 3.4Å; D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 PolarHBondContact O-N 3.26Å
102	E	89.5	Confident	84.6	Confident	20 Å²	20	63 Å²	63	9%	0.093	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-42	179.3	-151.7	70.2	-135.8	0	0	111.8	N23 L24 K98 I99 T100 L104 K105 L106	N23-E102 HydrophobicContact CB-CG 4.5Å; L24-E102 HydrophobicContact CD1-CB 3.78Å; L24-E102 HydrophobicContact CD1-CG 4.26Å; L24-E102 HydrophobicContact CG-CB 4.15Å; L24-E102 HydrophobicContact CG-CG 4.09Å; K98-E102 IonicContact NZ-OE2 2.96Å; K98-E102 PolarHBondContact O-N 3.03Å; K98-E102 VanDerWaalsContact O-N 3.08Å; I99-E102 PolarHBondContact O-N 2.99Å; T100-E102 VanDerWaalsContact C-N 3.34Å; T100-E102 PolarHBondContact O-N 3.2Å; E102-L104 PolarHBondContact O-N 3.5Å; E102-K105 PolarHBondContact O-N 2.81Å; E102-K105 IonicContact OE1-NZ 3.87Å; E102-K105 PolarHBondContact OE1-NZ 2.73Å; E102-L106 HydrophobicContact CG-CD1 4.26Å; E102-L106 WeakPolarHBondContact O-CB 3.46Å; E102-L106 PolarHBondContact O-N 2.87Å
103	V	87.4	Confident	84.2	Confident	35 Å²	35	68.4 Å²	68.4	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-45.1	174.9	170.8	0	0	0	0	111.1	V16 A20 L79 I99 T100 K105 L106 R107	V16-V103 HydrophobicContact CG1-CG1 4.21Å; A20-V103 HydrophobicContact CB-CG2 3.67Å; L79-V103 HydrophobicContact CD2-CG2 3.6Å; I99-V103 HydrophobicContact CG2-CG2 4.44Å; I99-V103 VanDerWaalsContact O-CG2 3.32Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 3.49Å; T100-V103 PolarHBondContact O-N 3.02Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.18Å; V103-R107 VanDerWaalsContact O-CB 3.29Å; V103-R107 WeakPolarHBondContact O-CB 3.38Å; V103-R107 PolarHBondContact O-N 3.42Å
104	L	87	Confident	82.9	Confident	95 Å²	95	68.3 Å²	68.3	50%	0.497	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-40.5	177.1	-75.3	173.1	0	0	0	111.6	T100 D101 E102 R107 N108	T100-L104 HydrophobicContact CG2-CD1 3.91Å; T100-L104 HydrophobicContact CG2-CG 4.31Å; T100-L104 VanDerWaalsContact O-CB 3.32Å; T100-L104 WeakPolarHBondContact O-CB 3.49Å; T100-L104 VanDerWaalsContact O-CG 3.25Å; T100-L104 WeakPolarHBondContact O-CG 3.36Å; T100-L104 PolarHBondContact O-N 2.84Å; D101-L104 PolarHBondContact O-N 3.4Å; E102-L104 PolarHBondContact O-N 3.5Å; L104-R107 PolarHBondContact O-N 2.87Å; L104-N108 WeakPolarHBondContact O-CB 3.17Å; L104-N108 PolarHBondContact O-N 3.22Å
105	K	88.3	Confident	81.4	Confident	113 Å²	113	70 Å²	70	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-63.3	-48.5	177.2	178.3	-178	161.3	-149.7	0	111.5	D101 E102 V103 N108 I109	D101-K105 WeakPolarHBondContact O-CB 3.39Å; D101-K105 PolarHBondContact O-N 3.26Å; E102-K105 PolarHBondContact O-N 2.81Å; E102-K105 IonicContact OE1-NZ 3.87Å; E102-K105 PolarHBondContact OE1-NZ 2.73Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 2.96Å; K105-N108 WeakPolarHBondContact O-CB 3.38Å; K105-N108 PolarHBondContact O-N 3.26Å; K105-I109 HydrophobicContact CG-CD1 4.01Å; K105-I109 VanDerWaalsContact O-CG1 3.26Å; K105-I109 WeakPolarHBondContact O-CG1 3.29Å; K105-I109 PolarHBondContact O-N 3.1Å
106	L	84.9	Confident	79.6	Confident	21 Å²	21	75.8 Å²	75.8	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-41.5	176.1	-85.3	148.5	0	0	0	112	V16 D19 A20 E102 V103 N108 I109 K110	V16-L106 HydrophobicContact CB-CB 4.46Å; V16-L106 HydrophobicContact CG1-CB 3.7Å; V16-L106 HydrophobicContact CG2-CB 4.4Å; D19-L106 HydrophobicContact CB-CD1 4.05Å; D19-L106 HydrophobicContact CB-CD2 3.7Å; A20-L106 VanDerWaalsContact CA-CD1 3.4Å; A20-L106 HydrophobicContact CB-CD1 3.64Å; A20-L106 VanDerWaalsContact N-CD1 3.34Å; E102-L106 HydrophobicContact CG-CD1 4.26Å; E102-L106 WeakPolarHBondContact O-CB 3.46Å; E102-L106 PolarHBondContact O-N 2.87Å; V103-L106 PolarHBondContact O-N 3.18Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 3.28Å; L106-I109 PolarHBondContact O-N 3.2Å; L106-K110 WeakPolarHBondContact O-CB 3.44Å; L106-K110 PolarHBondContact O-N 3.4Å
107	R	84.6	Confident	77.6	Confident	123 Å²	123	77.1 Å²	77.1	46%	0.464	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-41.4	173.6	-173.7	-117.2	-179	175.4	-2	111.7	L8 V16 V103 L104 K110 L111	L8-R107 HydrophobicContact CD2-CG 4.09Å; V16-R107 HydrophobicContact CG1-CB 4.31Å; V103-R107 VanDerWaalsContact O-CB 3.29Å; V103-R107 WeakPolarHBondContact O-CB 3.38Å; V103-R107 PolarHBondContact O-N 3.42Å; L104-R107 PolarHBondContact O-N 2.87Å; R107-K110 PolarHBondContact O-N 3.2Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.28Å
108	N	83.3	Confident	75.6	Confident	92 Å²	92	76 Å²	76	49%	0.492	40%	0.399	S	S	.	.	H	α-helix	trans	-66.2	-45.8	177	-169.1	32	0	0	0	111.6	L104 K105 L106 K110 L111 E112	L104-N108 WeakPolarHBondContact O-CB 3.17Å; L104-N108 PolarHBondContact O-N 3.22Å; K105-N108 WeakPolarHBondContact O-CB 3.38Å; K105-N108 PolarHBondContact O-N 3.26Å; L106-N108 VanDerWaalsContact C-N 3.3Å; L106-N108 PolarHBondContact O-N 3.28Å; N108-K110 VanDerWaalsContact C-N 3.29Å; N108-K110 PolarHBondContact O-N 2.98Å; N108-L111 PolarHBondContact O-N 3.18Å; N108-E112 WeakPolarHBondContact O-CG 3.33Å; N108-E112 PolarHBondContact O-N 3.21Å
109	I	81.6	Confident	73.6	Confident	76 Å²	76	76.7 Å²	76.7	39%	0.39	41%	0.41	S	S	.	.	H	α-helix	trans	-55.8	-46.7	174.7	-69.9	165.7	0	0	0	110.1	K105 L106 L111 E112 H113	K105-I109 HydrophobicContact CG-CD1 4.01Å; K105-I109 VanDerWaalsContact O-CG1 3.26Å; K105-I109 WeakPolarHBondContact O-CG1 3.29Å; K105-I109 PolarHBondContact O-N 3.1Å; L106-I109 PolarHBondContact O-N 3.2Å; I109-L111 PolarHBondContact O-N 2.75Å; I109-E112 PolarHBondContact O-N 3.44Å; I109-H113 WeakPolarHBondContact CG2-CE1 3.45Å; I109-H113 WeakPolarHBondContact CG2-ND1 3.44Å; I109-H113 PolarHBondContact O-N 2.91Å; I109-H113 PolarHBondContact O-ND1 3.27Å
110	K	78.2	Confident	71.4	Confident	42 Å²	42	83.2 Å²	83.2	18%	0.183	45%	0.445	C	S	.	.	H	α-helix	trans	-65.5	-36	-180	-165.4	157.9	178.5	175	0	113	D12 E15 V16 L106 R107 N108 L114	D12-K110 HydrophobicContact CB-CD 4.27Å; D12-K110 VanDerWaalsContact CB-NZ 3.34Å; D12-K110 VanDerWaalsContact CG-CE 3.49Å; D12-K110 PolarHBondContact O-NZ 3.26Å; D12-K110 WeakPolarHBondContact OD1-CE 3.47Å; D12-K110 IonicContact OD1-NZ 2.66Å; D12-K110 PolarHBondContact OD1-NZ 3.3Å; E15-K110 IonicContact OE2-NZ 2.76Å; E15-K110 PolarHBondContact OE2-NZ 2.8Å; V16-K110 HydrophobicContact CG2-CB 4.38Å; V16-K110 HydrophobicContact CG2-CD 3.72Å; L106-K110 WeakPolarHBondContact O-CB 3.44Å; L106-K110 PolarHBondContact O-N 3.4Å; R107-K110 PolarHBondContact O-N 3.2Å; N108-K110 VanDerWaalsContact C-N 3.29Å; N108-K110 PolarHBondContact O-N 2.98Å; K110-L114 PolarHBondContact O-N 3.23Å
111	L	71.4	Confident	69.6	Low	39 Å²	39	88.8 Å²	88.8	20%	0.204	47%	0.473	C	S	.	.	H	α-helix	trans	-66.6	-41.5	172.2	-80.5	174.1	0	0	0	112.8	L8 R107 N108 I109 L114 K115	L8-L111 HydrophobicContact CD1-CD2 3.63Å; L8-L111 HydrophobicContact CD1-CG 3.79Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.28Å; N108-L111 PolarHBondContact O-N 3.18Å; I109-L111 PolarHBondContact O-N 2.75Å; L111-L114 PolarHBondContact O-N 2.6Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 PolarHBondContact O-N 2.84Å
112	E	66.9	Low	67.5	Low	83 Å²	83	92.2 Å²	92.2	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-66.4	-37.8	178.6	-70.4	-71.7	111.8	0	0	111.3	N108 I109 L114 K115 D116	N108-E112 WeakPolarHBondContact O-CG 3.33Å; N108-E112 PolarHBondContact O-N 3.21Å; I109-E112 PolarHBondContact O-N 3.44Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3Å; E112-K115 PolarHBondContact O-N 3.15Å; E112-K115 IonicContact OE1-NZ 2.75Å; E112-K115 PolarHBondContact OE1-NZ 3.2Å; E112-K115 IonicContact OE2-NZ 2.69Å; E112-D116 PolarHBondContact O-N 3.47Å
113	H	62.7	Low	65.4	Low	135 Å²	135	95.9 Å²	95.9	63%	0.625	52%	0.518	S	S	*	.	H	α-helix	trans	-59.7	-37.6	171	-73.3	99.1	0	0	0	112.9	I109 G117	I109-H113 WeakPolarHBondContact CG2-CE1 3.45Å; I109-H113 WeakPolarHBondContact CG2-ND1 3.44Å; I109-H113 PolarHBondContact O-N 2.91Å; I109-H113 PolarHBondContact O-ND1 3.27Å; H113-G117 PolarHBondContact O-N 3.39Å; H113-G117 VanDerWaalsContact O-N 3.15Å
114	L	58.5	Low	63.6	Low	104 Å²	104	105.6 Å²	105.6	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-74	-30.3	178.7	-154.3	72.6	0	0	0	112.1	P6 K110 L111 E112	P6-L114 HydrophobicContact CB-CD2 3.88Å; K110-L114 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 2.6Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3Å
115	K	57.4	Low	61.3	Low	136 Å²	136	106.7 Å²	106.7	59%	0.591	57%	0.567	S	S	*	*	H	α-helix	trans	-77.3	-37.8	178.8	-175.2	175.8	157.9	-149	0	112.4	L111 E112 G117	L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 PolarHBondContact O-N 2.84Å; E112-K115 PolarHBondContact O-N 3.15Å; E112-K115 IonicContact OE1-NZ 2.75Å; E112-K115 PolarHBondContact OE1-NZ 3.2Å; E112-K115 IonicContact OE2-NZ 2.69Å; K115-G117 VanDerWaalsContact C-N 3.27Å
116	D	49.9	Very low	59.7	Low	120 Å²	120	109 Å²	109	64%	0.642	59%	0.585	S	S	*	*	H	α-helix	trans	-75.3	-15.7	171	-86.9	-7.5	0	0	0	112.8	E112 T119	E112-D116 PolarHBondContact O-N 3.47Å; D116-T119 VanDerWaalsContact O-O 3.06Å
117	G	47.5	Very low	57.7	Low	60 Å²	60	113.4 Å²	113.4	62%	0.619	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-14.9	175	0	0	0	0	0	115.2	H113 K115	H113-G117 PolarHBondContact O-N 3.39Å; H113-G117 VanDerWaalsContact O-N 3.15Å; K115-G117 VanDerWaalsContact C-N 3.27Å
118	A	49.2	Very low	55.9	Low	88 Å²	88	114.6 Å²	114.6	73%	0.727	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-14.7	-178.9	0	0	0	0	0	113.6
119	T	48.1	Very low	54	Low	95 Å²	95	118 Å²	118	58%	0.583	65%	0.646	S	S	*	*	S	Bend	trans	-133.8	102.5	167.1	62.7	0	0	0	0	106.8	D116	D116-T119 VanDerWaalsContact O-O 3.06Å
120	N	43.4	Very low	52.1	Low	141 Å²	141	119.2 Å²	119.2	75%	0.754	66%	0.661	S	S	*	*			trans	146.9	84.6	150.2	-68.9	-25.6	0	0	0	110.6	L122	N120-L122 PolarHBondContact O-N 3.31Å
121	N	51	Low	50.8	Low	173 Å²	173	124.8 Å²	124.8	93%	0.925	69%	0.693	S	S	*	*			trans	-65.4	86.4	144.2	-65.1	-59.4	0	0	0	107.7
122	L	47	Very low	49.2	Very low	146 Å²	146	131.5 Å²	131.5	76%	0.764	72%	0.72	S	S	*	*			trans	-148.1	104.4	160.8	-151.7	68.3	0	0	0	111.2	N120	N120-L122 PolarHBondContact O-N 3.31Å
123	S	44.2	Very low	48.3	Very low	97 Å²	97	132.6 Å²	132.6	68%	0.678	74%	0.737	S	S	*	*			trans	33.9	118.6	135.4	-56.4	0	0	0	0	119.1
124	R	51.3	Low	47.1	Very low	238 Å²	238	133.3 Å²	133.3	90%	0.898	74%	0.741	S	S	*	*				40.5	114.4	129.9	-70.6	177.2	162.4	-175.6	-5.2	117
125	S	37.5	Very low	46.7	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	76%	0.755	S	S	*	*				177.7	138.2	106.2	-77.6	0	0	0	0	111.6
126	N	54.4	Low	45.9	Very low	162 Å²	162	139.1 Å²	139.1	87%	0.866	77%	0.768	S	S	*	*			trans	-61.7	143.5	162.5	-52.7	-23.9	0	0	0	109.6
127	S	43	Very low	45.8	Very low	112 Å²	112	145 Å²	145	78%	0.783	78%	0.782	S	S	*	*			trans	-175.9	124.3	135.6	58.1	0	0	0	0	112.2
128	D	47.2	Very low	45.4	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	79%	0.79	S	S	*	*			trans	-1.7	146	148.2	-74.3	-63.9	0	0	0	121.9
129	E	42.7	Very low	45.2	Very low	165 Å²	165	147.4 Å²	147.4	77%	0.771	79%	0.79	S	S	*	*			trans	78.4	144.4	134.7	-85.1	-65	129.6	0	0	123
130	S	42.2	Very low	45.2	Very low	101 Å²	101	149.2 Å²	149.2	71%	0.706	80%	0.8	S	S	*	*			trans	95.2	117.9	148.7	78	0	0	0	0	119.9
131	N	51.5	Low	45.6	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	80%	0.8	S	S	*	*			trans	-47.7	128.2	156.2	-71.3	-82.8	0	0	0	111.4
132	F	37.1	Very low	45.5	Very low	180 Å²	180	148.6 Å²	148.6	79%	0.789	80%	0.798	S	S	*	*			trans	-158.8	127	139.8	-146.9	-110.6	0	0	0	112	E134	F132-E134 PolarHBondContact O-N 3.07Å
133	S	47.9	Very low	45	Very low	105 Å²	105	152.1 Å²	152.1	73%	0.734	80%	0.803	S	S	*	*			trans	-64	121.8	163	126.7	0	0	0	0	108.5
134	E	37.3	Very low	45.2	Very low	151 Å²	151	155.3 Å²	155.3	71%	0.706	81%	0.806	S	S	*	*			trans	-161	101	149.1	-155.9	115.8	-153.9	0	0	111.9	F132 L136	F132-E134 PolarHBondContact O-N 3.07Å; E134-L136 PolarHBondContact O-N 3.14Å
135	K	50.7	Low	45.2	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	80%	0.8	S	S	*	*			trans	-7.9	106.8	139.7	-176.9	-172.8	-176.7	-167.5	0	115.2
136	L	41.7	Very low	45.3	Very low	167 Å²	167	152.8 Å²	152.8	87%	0.874	80%	0.802	S	S	*	*			trans	-140.2	102.9	153.6	-81.3	177.7	0	0	0	111.5	E134 A138	E134-L136 PolarHBondContact O-N 3.14Å; L136-A138 PolarHBondContact O-N 3.13Å
137	R	47.6	Very low	44.6	Very low	245 Å²	245	148.1 Å²	148.1	93%	0.925	79%	0.792	S	S	*	*			trans	-58.3	120.5	158.7	-95.5	-163.5	-177	176.4	0.5	108.8
138	A	38.8	Very low	44.3	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	80%	0.796	S	S	*	*			trans	-81.4	110.2	152.4	0	0	0	0	0	107.3	L136	L136-A138 PolarHBondContact O-N 3.13Å
139	S	43.5	Very low	43.7	Very low	103 Å²	103	149.9 Å²	149.9	72%	0.72	80%	0.796	S	S	*	*				72.4	89.6	84.9	-158.6	0	0	0	0	112.5
140	T	49.3	Very low	43.6	Very low	132 Å²	132	147 Å²	147	81%	0.81	79%	0.794	S	S	*	*			trans	-130.7	109.3	152.6	73.2	0	0	0	0	107.7	M142	T140-M142 PolarHBondContact O-N 2.94Å
141	V	52.3	Low	43.3	Very low	122 Å²	122	147.7 Å²	147.7	74%	0.739	79%	0.794	S	S	*	*			trans	-63.1	122.6	173.3	167.2	0	0	0	0	109.5
142	M	47.9	Very low	43.1	Very low	180 Å²	180	145.7 Å²	145.7	89%	0.887	79%	0.788	S	S	*	*			trans	-137.3	129.6	159.3	-74.1	-63.5	-85.8	0	0	109.4	T140	T140-M142 PolarHBondContact O-N 2.94Å
143	Y	37.8	Very low	44.1	Very low	220 Å²	220	142.4 Å²	142.4	86%	0.863	78%	0.784	S	S	*	*			trans	-77.8	156	-171.1	-133	-105.2	0	0	0	112.7
144	H	47	Very low	43.7	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.755	79%	0.791	S	S	*	*			trans	-68	171.1	-170.1	-66.5	-101.4	0	0	0	116.9
145	P	52.5	Low	44	Very low	120 Å²	120	148.7 Å²	148.7	78%	0.779	80%	0.797	S	S	*	*				-146.1	148.9	85.8	33	-12.3	0	0	0	117.6
146	E	38.4	Very low	43.4	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	79%	0.79	S	S	*	*			trans	27.9	130.5	147.6	-55.1	-61	116.6	0	0	121.9
147	G	40.1	Very low	43.5	Very low	64 Å²	64	141.5 Å²	141.5	66%	0.66	78%	0.781	S	S	*	*			trans	152.4	87.7	155.8	0	0	0	0	0	117.5
148	E	36.5	Very low	43.6	Very low	186 Å²	186	137.4 Å²	137.4	87%	0.869	78%	0.777	S	S	*	*			trans	65.3	116.4	133.3	-54.5	173.2	160.1	0	0	121.8
149	S	34.7	Very low	43.5	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	78%	0.778	S	S	*	*			trans	89.5	118.6	135.6	-56.3	0	0	0	0	122.6
150	S	40.3	Very low	43.9	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	77%	0.772	S	S	*	*			trans	70.9	116.6	132.1	-80.4	0	0	0	0	121.2
151	T	37.6	Very low	43.9	Very low	115 Å²	115	139.3 Å²	139.3	71%	0.706	78%	0.775	S	S	*	*				87.2	102	83.2	-53.1	0	0	0	0	112.3
152	T	46.1	Very low	43.9	Very low	117 Å²	117	140.5 Å²	140.5	72%	0.718	78%	0.778	S	S	*	*				168.5	138.2	117.8	38.6	0	0	0	0	111.1
153	P	57.8	Low	44.2	Very low	111 Å²	111	139.8 Å²	139.8	72%	0.721	78%	0.777	S	S	*	*			trans	-95.9	143.9	166.6	35.4	-26.9	0	0	0	109.7
154	F	39.5	Very low	44.6	Very low	199 Å²	199	134.6 Å²	134.6	87%	0.873	77%	0.77	S	S	*	*			trans	-145.9	130.5	158.3	-98.1	-76.8	0	0	0	113.6
155	F	44.3	Very low	44.5	Very low	188 Å²	188	133.7 Å²	133.7	83%	0.825	78%	0.776	S	S	*	*			trans	-68.4	172	165.7	-90.5	-100.7	0	0	0	112.3
156	S	38	Very low	44.3	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	78%	0.776	S	S	*	*			trans	121.1	106.2	148.1	-67	0	0	0	0	113.1
157	T	43.5	Very low	44.7	Very low	110 Å²	110	134.5 Å²	134.5	68%	0.675	77%	0.773	S	S	*	*				57.6	111.8	75.4	67.1	0	0	0	0	114.2
158	N	49.2	Very low	44.8	Very low	159 Å²	159	138 Å²	138	85%	0.85	78%	0.781	S	S	*	*			trans	54.9	118.8	145.4	-51.7	-2.4	0	0	0	118.4
159	S	37.6	Very low	45	Very low	116 Å²	116	132 Å²	132	81%	0.811	77%	0.769	S	S	*	*				-160.9	130.7	129.5	-166.6	0	0	0	0	112.9
160	S	51.8	Low	45.1	Very low	84 Å²	84	137.6 Å²	137.6	59%	0.587	77%	0.773	S	S	*	*			trans	-51.3	144.5	161.3	177.6	0	0	0	0	112.7
161	L	49.1	Very low	45.2	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	77%	0.769	S	S	*	*			trans	-143.1	108.4	152.6	-72.4	-179.6	0	0	0	109.9
162	N	52.7	Low	45.3	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	77%	0.771	S	S	*	*			trans	-71.7	145	160.8	-72.9	-87	0	0	0	109.1
163	L	53.2	Low	45.2	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	77%	0.774	S	S	*	*			trans	-126.7	147.7	166.3	-90.4	160.6	0	0	0	110.8
164	P	47.3	Very low	44.4	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	78%	0.778	S	S	*	*			trans	-88	140.6	-158.2	34.9	-34.9	0	0	0	112.9
165	V	45.1	Very low	44.6	Very low	143 Å²	143	139.4 Å²	139.4	87%	0.867	77%	0.771	S	S	*	*			trans	-86.6	116.9	163.1	171.3	0	0	0	0	107.5
166	L	47	Very low	44.6	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	78%	0.776	S	S	*	*			trans	-89.8	112.7	173.9	-164.4	147.2	0	0	0	108.4	V168	L166-V168 HydrophobicContact CD2-CG2 4.01Å
167	E	46.7	Very low	44.7	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	78%	0.775	S	S	*	*			trans	-62.7	134.7	167	-81.2	-161.3	125.4	0	0	111.3
168	V	42.5	Very low	44.9	Very low	137 Å²	137	140.5 Å²	140.5	83%	0.83	78%	0.78	S	S	*	*			trans	-130.3	104.3	144.1	-178.9	0	0	0	0	106.6	L166	L166-V168 HydrophobicContact CD2-CG2 4.01Å
169	G	40.5	Very low	44.7	Very low	59 Å²	59	138.5 Å²	138.5	61%	0.608	77%	0.774	S	S	*	*			trans	-82.2	156.1	174.9	0	0	0	0	0	112.8
170	R	37.2	Very low	45.3	Very low	230 Å²	230	139.3 Å²	139.3	87%	0.868	77%	0.774	S	S	*	*			trans	-160.6	117	137.6	-130.6	177	161.8	175.5	-5.7	110.5
171	T	43.4	Very low	45.7	Very low	105 Å²	105	143.2 Å²	143.2	64%	0.644	79%	0.788	S	S	*	*			trans	45.9	117.6	138.6	59.3	0	0	0	0	116
172	E	38.3	Very low	45.9	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	78%	0.779	S	S	*	*				-177.6	133.4	50.3	50.4	-146.3	134.3	0	0	109.1
173	N	43.8	Very low	46	Very low	146 Å²	146	144 Å²	144	78%	0.781	78%	0.782	S	S	*	*			trans	33.8	110.7	136.3	-23.3	-16.5	0	0	0	116.3
174	T	41.1	Very low	45.6	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	78%	0.784	S	S	*	*				-178.2	103.6	127.1	-72.2	0	0	0	0	110.2
175	I	44.8	Very low	46.2	Very low	140 Å²	140	141.3 Å²	141.3	72%	0.718	79%	0.788	S	S	*	*			trans	10	117	140.3	-55.6	164.6	0	0	0	115.7	S177	I175-S177 PolarHBondContact O-N 3.47Å
176	F	43.6	Very low	46.5	Very low	213 Å²	213	140.7 Å²	140.7	93%	0.934	78%	0.78	S	S	*	*			trans	-52.4	109	156	-94	-99.9	0	0	0	109.6
177	S	39.3	Very low	46.9	Very low	97 Å²	97	139.8 Å²	139.8	68%	0.678	78%	0.783	S	S	*	*			trans	-122.2	108.4	163.4	-72.1	0	0	0	0	108.7	I175 T179	I175-S177 PolarHBondContact O-N 3.47Å; S177-T179 PolarHBondContact O-N 3.49Å
178	S	48	Very low	47.4	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	78%	0.782	S	S	*	*			trans	-62.2	110	158.6	-43.8	0	0	0	0	108.2
179	T	45.5	Very low	48	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	78%	0.776	S	S	*	*			trans	-173.6	129.2	152.9	35.9	0	0	0	0	112.9	S177	S177-T179 PolarHBondContact O-N 3.49Å
180	T	50.9	Low	48.8	Very low	132 Å²	132	135.3 Å²	135.3	81%	0.81	78%	0.782	S	S	*	*			trans	68.4	106.1	144.3	58.4	0	0	0	0	120.1
181	L	60.4	Low	50.1	Low	167 Å²	167	130.4 Å²	130.4	87%	0.874	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.9	140.2	160.3	-64.9	167.4	0	0	0	110.8
182	P	51.5	Low	50.6	Low	109 Å²	109	133 Å²	133	71%	0.708	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-66.7	141.1	175.4	26.2	-31.5	0	0	0	111.1
183	R	56.8	Low	51.6	Low	225 Å²	225	130.5 Å²	130.5	85%	0.849	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.5	155.2	177.9	-81.8	177.1	178.2	161	-0.6	111.2	G185	R183-G185 PolarHBondContact O-N 3.28Å
184	P	44.5	Very low	52.3	Low	138 Å²	138	129.3 Å²	129.3	90%	0.896	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	123.3	174.2	-20.4	32	0	0	0	111.2
185	G	60	Low	52.8	Low	80 Å²	80	130 Å²	130	83%	0.825	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.8	8.3	173.4	0	0	0	0	0	117.5	R183	R183-G185 PolarHBondContact O-N 3.28Å
186	D	50.7	Low	53.1	Low	131 Å²	131	131.9 Å²	131.9	70%	0.701	80%	0.796	S	S	*	*			trans	-83.8	134.4	179.5	-143.5	12.3	0	0	0	112.2	G188	D186-G188 PolarHBondContact O-N 2.95Å
187	P	55.3	Low	53	Low	131 Å²	131	131.3 Å²	131.3	85%	0.851	80%	0.797	S	S	*	*	S	Bend	trans	-79.5	86.9	-172.2	20.2	-10	0	0	0	111.6
188	G	57.4	Low	53.1	Low	74 Å²	74	134 Å²	134	76%	0.763	80%	0.803	S	S	*	*			trans	-154.6	15.4	173.1	0	0	0	0	0	113.6	D186	D186-G188 PolarHBondContact O-N 2.95Å
189	A	55.2	Low	52.6	Low	87 Å²	87	136.1 Å²	136.1	72%	0.719	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.9	138	178.3	0	0	0	0	0	110.9
190	P	57.2	Low	52.3	Low	113 Å²	113	138.7 Å²	138.7	73%	0.734	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.2	176.8	24.6	-32.5	0	0	0	111.2	L192	P190-L192 PolarHBondContact O-N 3.33Å
191	P	64.8	Low	51.9	Low	127 Å²	127	141.4 Å²	141.4	83%	0.825	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.2	-179.5	23.4	-31.4	0	0	0	110.7
192	L	54	Low	50.6	Low	160 Å²	160	136.6 Å²	136.6	84%	0.838	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-72.3	144.4	176.8	-71.7	167.7	0	0	0	110.4	P190	P190-L192 PolarHBondContact O-N 3.33Å
193	P	58.9	Low	49.7	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-61.4	139.4	177.6	24.2	-32.1	0	0	0	111.2	D195	P193-D195 PolarHBondContact O-N 3.35Å; P193-D195 VanDerWaalsContact O-N 3.13Å
194	P	58.9	Low	49.2	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	81%	0.808	S	S	*	*	S	Bend	trans	-79	97	-176.4	30	-32.2	0	0	0	110.4
195	D	51.7	Low	48.8	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	80%	0.796	S	S	*	*	S	Bend	trans	-141.3	6.9	166.3	-93.4	-34.6	0	0	0	115.6	P193	P193-D195 PolarHBondContact O-N 3.35Å; P193-D195 VanDerWaalsContact O-N 3.13Å
196	L	50.3	Low	48.1	Very low	178 Å²	178	134.8 Å²	134.8	93%	0.932	80%	0.798	S	S	*	*			trans	-151.9	60.5	170.8	-67	177.6	0	0	0	113
197	Q	42.8	Very low	47.8	Very low	201 Å²	201	133.3 Å²	133.3	94%	0.939	80%	0.798	S	S	*	*			trans	-118.9	93.3	163.7	-77	-152.6	-46.9	0	0	111
198	L	40.1	Very low	47.4	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	80%	0.796	S	S	*	*			trans	-171.8	118.1	160.7	-144.4	139.3	0	0	0	104.5
199	E	38.1	Very low	47	Very low	157 Å²	157	136.9 Å²	136.9	73%	0.734	80%	0.796	S	S	*	*			cis	-152.9	133.4	19.5	-112.4	179.6	131.2	0	0	106.4
200	E	39	Very low	47.2	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	80%	0.797	S	S	*	*				70.7	104.3	95.3	-157.5	166.4	150	0	0	115.2
201	E	41.6	Very low	46.9	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	81%	0.805	S	S	*	*			trans	21.2	107.7	142.3	-145.9	87.7	171.1	0	0	118
202	G	34.9	Very low	47.1	Very low	66 Å²	66	144.7 Å²	144.7	68%	0.68	80%	0.8	S	S	*	*			trans	179.4	102.1	169.6	0	0	0	0	0	115.8
203	T	31.8	Very low	47.5	Very low	133 Å²	133	142 Å²	142	82%	0.816	79%	0.792	S	S	*	*			trans	77.1	107.2	145.1	-44	0	0	0	0	118.3	A205	T203-A205 HydrophobicContact CG2-CB 4.22Å; T203-A205 PolarHBondContact O-N 3.36Å; T203-A205 VanDerWaalsContact O-N 3.08Å
204	C	45.6	Very low	47.5	Very low	141 Å²	141	145.2 Å²	145.2	95%	0.953	80%	0.802	S	S	*	*			trans	-57.5	104.3	153.2	-58.8	0	0	0	0	110.3
205	A	37.6	Very low	47.5	Very low	77 Å²	77	150.1 Å²	150.1	64%	0.636	81%	0.805	S	S	*	*			trans	-156.9	112.9	162.6	0	0	0	0	0	111.9	T203	T203-A205 HydrophobicContact CG2-CB 4.22Å; T203-A205 PolarHBondContact O-N 3.36Å; T203-A205 VanDerWaalsContact O-N 3.08Å
206	N	44.3	Very low	47.8	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	81%	0.807	S	S	*	*			trans	41.9	112.5	149.1	-70.5	-22.5	0	0	0	120.5
207	S	43.7	Very low	48.1	Very low	100 Å²	100	151.4 Å²	151.4	70%	0.699	80%	0.804	S	S	*	*				-157.2	89	123.2	-174.1	0	0	0	0	110.2	E209	S207-E209 PolarHBondContact O-N 3.18Å
208	S	48.4	Very low	48.6	Very low	115 Å²	115	148.3 Å²	148.3	80%	0.804	80%	0.799	S	S	*	*			trans	-76.6	90	162.7	61.2	0	0	0	0	108.2	M210	S208-M210 VanDerWaalsContact C-N 3.33Å; S208-M210 PolarHBondContact O-N 3.08Å
209	E	48.4	Very low	49.2	Very low	166 Å²	166	147.5 Å²	147.5	78%	0.776	80%	0.801	S	S	*	*			trans	-70.9	92.9	168.4	-71.4	-137.4	148.2	0	0	110.2	S207 F211	S207-E209 PolarHBondContact O-N 3.18Å; E209-F211 PolarHBondContact O-N 3.13Å
210	M	59	Low	49.9	Very low	149 Å²	149	145.7 Å²	145.7	73%	0.734	81%	0.805	S	S	*	*				54.9	58.1	123.7	-153.1	79.5	80.4	0	0	117.9	S208 L212	S208-M210 VanDerWaalsContact C-N 3.33Å; S208-M210 PolarHBondContact O-N 3.08Å; M210-L212 HydrophobicContact CG-CD1 4.45Å; M210-L212 HydrophobicContact CG-CG 4.09Å; M210-L212 PolarHBondContact O-N 3.38Å; M210-L212 HydrophobicContact SD-CD2 4.09Å; M210-L212 HydrophobicContact SD-CG 4.17Å
211	F	51.9	Low	50.3	Low	204 Å²	204	148.5 Å²	148.5	90%	0.895	81%	0.808	S	S	*	*			trans	-81.6	96.8	153.3	-79.8	-85.9	0	0	0	109.4	E209 P213	E209-F211 PolarHBondContact O-N 3.13Å; F211-P213 WeakPolarHBondContact O-CD 3.27Å
212	L	67.4	Low	50.6	Low	138 Å²	138	152.2 Å²	152.2	72%	0.723	83%	0.826	S	S	*	*			trans	-79.7	122	168.8	-67	175.3	0	0	0	109.5	M210 L214	M210-L212 HydrophobicContact CG-CD1 4.45Å; M210-L212 HydrophobicContact CG-CG 4.09Å; M210-L212 PolarHBondContact O-N 3.38Å; M210-L212 HydrophobicContact SD-CD2 4.09Å; M210-L212 HydrophobicContact SD-CG 4.17Å; L212-L214 PolarHBondContact O-N 3.27Å
213	P	63.1	Low	51.4	Low	104 Å²	104	156.5 Å²	156.5	68%	0.675	83%	0.833	S	S	*	*			trans	-68.3	128.1	169.6	25.3	-29.4	0	0	0	109.7	F211 R215	F211-P213 WeakPolarHBondContact O-CD 3.27Å; P213-R215 PolarHBondContact O-N 2.97Å
214	L	59.3	Low	52.4	Low	174 Å²	174	157.7 Å²	157.7	91%	0.911	83%	0.834	S	S	*	*			trans	-60.9	94.3	174.3	-66.1	171.1	0	0	0	109.8	L212 S216	L212-L214 PolarHBondContact O-N 3.27Å; L214-S216 PolarHBondContact O-N 3.3Å
215	R	59.3	Low	52.8	Low	226 Å²	226	158.7 Å²	158.7	85%	0.853	83%	0.827	S	S	*	*			trans	-78.8	101.7	166.1	-80.2	-171.2	167.3	125.6	-2.6	108.8	P213 R217	P213-R215 PolarHBondContact O-N 2.97Å; R215-R217 PolarHBondContact O-N 3.06Å; R215-R217 VanDerWaalsContact O-N 3.16Å
216	S	58	Low	53.7	Low	117 Å²	117	163.5 Å²	163.5	82%	0.818	84%	0.838	S	S	*	*			trans	-53.7	113.9	163.4	-62	0	0	0	0	109.8	L214	L214-S216 PolarHBondContact O-N 3.3Å
217	R	55.3	Low	54.3	Low	235 Å²	235	163.5 Å²	163.5	89%	0.887	84%	0.836	S	S	*	*			trans	-92.8	109	166.9	-64.6	-180	84.1	162.9	4	107.6	R215	R215-R217 PolarHBondContact O-N 3.06Å; R215-R217 VanDerWaalsContact O-N 3.16Å
218	T	54.7	Low	55	Low	136 Å²	136	167.7 Å²	167.7	83%	0.834	85%	0.846	S	S	*	*			trans	-72	121.7	162	45.2	0	0	0	0	108.1
219	V	51.8	Low	55.4	Low	138 Å²	138	171.5 Å²	171.5	84%	0.836	85%	0.848	S	S	*	*			trans	-89	100.1	165.1	177.3	0	0	0	0	105.7
220	S	52.3	Low	56	Low	118 Å²	118	171.9 Å²	171.9	83%	0.825	85%	0.854	S	S	*	*			trans	-103.1	121	161.2	-164.7	0	0	0	0	107.8
221	R	47.3	Very low	55.7	Low	229 Å²	229	173.8 Å²	173.8	86%	0.864	86%	0.864	S	S	*	*			trans	-114.6	96.1	-179.1	-160.6	-164.9	-165.4	-153.1	3.3	106.4
222	Q	48.6	Very low	56.1	Low	267 Å²	267	171.1 Å²	171.1	100%	1.248	86%	0.861	S	S	*	*			trans	-178.4	0	149.6	-111.8	174.6	-22.1	0	0	110.5

Retrieved 222 of 222 residues in 399.1 ms (Link to these results)

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