A0A3Q0KNP6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KNP6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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	38.6	Very low	36	Very low	239 Å²	239	135.4 Å²	135.4	100%	1.177	80%	0.8	S	S	*	*				0	127.2	0	-70.6	-179	111	0	0	107.6
2	S	41.8	Very low	35.7	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	81%	0.808	S	S	*	*			trans	44.4	100.2	161.7	-56.1	0	0	0	0	119.5
3	S	36.8	Very low	35.8	Very low	131 Å²	131	139.7 Å²	139.7	92%	0.916	80%	0.799	S	S	*	*			trans	-103.9	92.4	151.4	-61.6	0	0	0	0	107.4
4	D	43.1	Very low	35.9	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	80%	0.8	S	S	*	*			trans	-128.6	120	176.2	-101.2	-33.8	0	0	0	110.2
5	G	36.7	Very low	35.8	Very low	68 Å²	68	146.9 Å²	146.9	70%	0.701	81%	0.805	S	S	*	*			trans	65.6	138.2	152.4	0	0	0	0	0	117.2
6	T	37.2	Very low	35.7	Very low	118 Å²	118	143.8 Å²	143.8	72%	0.724	79%	0.786	S	S	*	*			cis	-168.6	100.6	27.9	-39.3	0	0	0	0	107	K8	T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 HydrophobicContact CG2-CG 4.14Å; T6-K8 PolarHBondContact O-N 3.24Å; T6-K8 VanDerWaalsContact O-N 3.13Å
7	N	34.1	Very low	35.7	Very low	162 Å²	162	140 Å²	140	87%	0.866	77%	0.771	S	S	*	*			trans	-80.4	86.5	167.6	-121.7	-3.8	0	0	0	107.5	S9	N7-S9 VanDerWaalsContact C-N 3.35Å; N7-S9 PolarHBondContact O-N 3.13Å
8	K	32.7	Very low	36	Very low	202 Å²	202	140.7 Å²	140.7	88%	0.878	77%	0.767	S	S	*	*			trans	-83.3	84.3	167.3	-91.5	-177	178.6	177.5	0	108.5	T6	T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 HydrophobicContact CG2-CG 4.14Å; T6-K8 PolarHBondContact O-N 3.24Å; T6-K8 VanDerWaalsContact O-N 3.13Å
9	S	29.9	Very low	36.1	Very low	87 Å²	87	137.3 Å²	137.3	61%	0.608	76%	0.76	S	S	*	*			trans	-137	143.7	160.2	65.3	0	0	0	0	108.8	N7	N7-S9 VanDerWaalsContact C-N 3.35Å; N7-S9 PolarHBondContact O-N 3.13Å
10	S	31.2	Very low	36	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	74%	0.738	S	S	*	*			trans	74.8	92.7	175.3	74.4	0	0	0	0	117.1
11	D	34.2	Very low	36	Very low	115 Å²	115	133.9 Å²	133.9	62%	0.615	73%	0.732	S	S	*	*				-177.3	71.4	100.8	-102.1	-7.2	0	0	0	109.8	K13	D11-K13 PolarHBondContact O-N 2.82Å; D11-K13 IonicContact OD2-NZ 3.55Å
12	D	32.6	Very low	36.3	Very low	166 Å²	166	130 Å²	130	89%	0.888	71%	0.708	S	S	*	*			trans	-69.2	63.3	154	-82.9	-39.2	0	0	0	108.7	K14	D12-K14 PolarHBondContact O-N 2.8Å
13	K	36.6	Very low	36.5	Very low	161 Å²	161	127.6 Å²	127.6	70%	0.7	69%	0.692	S	S	*	*			trans	-69.3	84.5	158.2	-76.5	-177.8	-175.9	163.6	0	105.6	D11 K15	D11-K13 PolarHBondContact O-N 2.82Å; D11-K13 IonicContact OD2-NZ 3.55Å; K13-K15 PolarHBondContact O-N 2.84Å
14	K	37.1	Very low	36.3	Very low	187 Å²	187	127.5 Å²	127.5	81%	0.813	67%	0.672	S	S	*	*			trans	-35.8	102.8	165.9	-74	-179.6	176.8	180	0	107.6	D12 L16	D12-K14 PolarHBondContact O-N 2.8Å; K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 2.86Å
15	K	35	Very low	36.5	Very low	201 Å²	201	123.3 Å²	123.3	87%	0.874	66%	0.655	S	S	*	*			trans	-56	105.2	167.6	-88.7	-179.3	174.2	-179.9	0	104.8	K13 P17	K13-K15 PolarHBondContact O-N 2.84Å; K15-P17 WeakPolarHBondContact O-CD 3.5Å
16	L	34.4	Very low	37.4	Very low	96 Å²	96	123.3 Å²	123.3	50%	0.503	64%	0.644	S	S	.	*			trans	-55.2	126.7	172.4	-123.5	89.1	0	0	0	106.7	K14 E18 I20	K14-L16 VanDerWaalsContact C-N 3.33Å; K14-L16 PolarHBondContact O-N 2.86Å; L16-E18 PolarHBondContact O-N 3.17Å; L16-I20 HydrophobicContact CD2-CB 4.11Å; L16-I20 HydrophobicContact CD2-CD1 4.15Å; L16-I20 HydrophobicContact CD2-CG2 3.57Å; L16-I20 HydrophobicContact CG-CD1 4.3Å
17	P	34.9	Very low	37.6	Very low	80 Å²	80	122.2 Å²	122.2	52%	0.519	63%	0.627	S	S	.	*			trans	-49.5	135.5	-176.9	-26.4	29.5	0	0	0	111.3	K15 A19 I20	K15-P17 WeakPolarHBondContact O-CD 3.5Å; P17-A19 PolarHBondContact O-N 2.83Å; P17-I20 HydrophobicContact CB-CD1 4.46Å; P17-I20 HydrophobicContact CB-CG1 4.37Å; P17-I20 HydrophobicContact CG-CD1 4.16Å; P17-I20 WeakPolarHBondContact O-CA 3.48Å; P17-I20 WeakPolarHBondContact O-CB 3.34Å; P17-I20 PolarHBondContact O-N 3.05Å
18	E	41.5	Very low	38.4	Very low	152 Å²	152	117.9 Å²	117.9	71%	0.71	61%	0.606	S	S	*	*	H	α-helix	trans	-55	-27.4	-177.7	-74.3	-176.9	161	0	0	113.6	L16 I20 K21 K22	L16-E18 PolarHBondContact O-N 3.17Å; E18-I20 PolarHBondContact O-N 3.34Å; E18-K21 PolarHBondContact O-N 2.96Å; E18-K22 PolarHBondContact O-N 3.38Å
19	A	36.8	Very low	39.5	Very low	76 Å²	76	112.3 Å²	112.3	63%	0.628	59%	0.586	S	S	*	*	H	α-helix	trans	-57.3	-37.2	172.3	0	0	0	0	0	112.3	P17 S23	P17-A19 PolarHBondContact O-N 2.83Å; A19-S23 VanDerWaalsContact O-CB 3.31Å; A19-S23 WeakPolarHBondContact O-CB 3.31Å; A19-S23 PolarHBondContact O-N 3.04Å
20	I	35.6	Very low	40.6	Very low	62 Å²	62	111.3 Å²	111.3	32%	0.318	57%	0.571	S	S	.	*	H	α-helix	trans	-72.2	-40.1	177.5	-55.9	-178.4	0	0	0	110.4	L16 P17 E18 S23 Y24	L16-I20 HydrophobicContact CD2-CB 4.11Å; L16-I20 HydrophobicContact CD2-CD1 4.15Å; L16-I20 HydrophobicContact CD2-CG2 3.57Å; L16-I20 HydrophobicContact CG-CD1 4.3Å; P17-I20 HydrophobicContact CB-CD1 4.46Å; P17-I20 HydrophobicContact CB-CG1 4.37Å; P17-I20 HydrophobicContact CG-CD1 4.16Å; P17-I20 WeakPolarHBondContact O-CA 3.48Å; P17-I20 WeakPolarHBondContact O-CB 3.34Å; P17-I20 PolarHBondContact O-N 3.05Å; E18-I20 PolarHBondContact O-N 3.34Å; I20-S23 WeakPolarHBondContact O-CB 3.18Å; I20-S23 PolarHBondContact O-N 3Å; I20-Y24 HydrophobicContact CG2-CD2 3.51Å; I20-Y24 HydrophobicContact CG2-CE2 3.28Å; I20-Y24 WeakPolarHBondContact O-CD2 3.25Å; I20-Y24 PolarHBondContact O-N 3.29Å
21	K	36.4	Very low	41.5	Very low	141 Å²	141	109.2 Å²	109.2	61%	0.613	55%	0.55	S	S	*	.	H	α-helix	trans	-63.9	-42.3	176.3	-71.2	-174.3	179	-178.2	0	112.4	E18 S23 Y24 S25	E18-K21 PolarHBondContact O-N 2.96Å; K21-S23 VanDerWaalsContact C-N 3.35Å; K21-Y24 PolarHBondContact O-N 3.16Å; K21-S25 PolarHBondContact O-N 3.04Å
22	K	43	Very low	42.5	Very low	157 Å²	157	108.5 Å²	108.5	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-64.1	-40.2	174.6	-73.8	-176.1	179.1	179.2	0	111.6	E18 S25 S26	E18-K22 PolarHBondContact O-N 3.38Å; K22-S25 PolarHBondContact O-N 2.94Å; K22-S26 PolarHBondContact O-N 3.38Å; K22-S26 PolarHBondContact O-OG 2.94Å
23	S	46	Very low	43.7	Very low	60 Å²	60	105.8 Å²	105.8	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-42.5	176.4	169.3	0	0	0	0	113.2	A19 I20 K21 S26 R27	A19-S23 VanDerWaalsContact O-CB 3.31Å; A19-S23 WeakPolarHBondContact O-CB 3.31Å; A19-S23 PolarHBondContact O-N 3.04Å; I20-S23 WeakPolarHBondContact O-CB 3.18Å; I20-S23 PolarHBondContact O-N 3Å; K21-S23 VanDerWaalsContact C-N 3.35Å; S23-S26 PolarHBondContact O-OG 3.11Å; S23-R27 VanDerWaalsContact O-CB 3.25Å; S23-R27 WeakPolarHBondContact O-CB 3.5Å; S23-R27 PolarHBondContact O-N 3.47Å; S23-R27 VanDerWaalsContact O-N 3.11Å
24	Y	34.3	Very low	44.4	Very low	130 Å²	130	99.4 Å²	99.4	51%	0.51	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-38	175	-79.9	-71.6	0	0	0	112.5	I20 K21 R27 V28	I20-Y24 HydrophobicContact CG2-CD2 3.51Å; I20-Y24 HydrophobicContact CG2-CE2 3.28Å; I20-Y24 WeakPolarHBondContact O-CD2 3.25Å; I20-Y24 PolarHBondContact O-N 3.29Å; K21-Y24 PolarHBondContact O-N 3.16Å; Y24-R27 WeakPolarHBondContact O-CB 3.47Å; Y24-R27 PolarHBondContact O-N 2.94Å; Y24-V28 PolarHBondContact O-N 3.31Å
25	S	47.2	Very low	44.9	Very low	63 Å²	63	91.3 Å²	91.3	44%	0.441	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-54.2	174.8	-166.7	0	0	0	0	110.2	K21 K22 R27 V28 D29	K21-S25 PolarHBondContact O-N 3.04Å; K22-S25 PolarHBondContact O-N 2.94Å; S25-R27 PolarHBondContact O-N 3.03Å; S25-R27 VanDerWaalsContact O-N 3.09Å; S25-V28 PolarHBondContact O-N 3.09Å; S25-V28 VanDerWaalsContact O-N 3.16Å; S25-D29 VanDerWaalsContact C-OD2 3.24Å; S25-D29 VanDerWaalsContact O-CB 3.31Å; S25-D29 WeakPolarHBondContact O-CB 3.27Å; S25-D29 PolarHBondContact O-N 3.45Å; S25-D29 PolarHBondContact OG-OD2 2.96Å
26	S	55.4	Low	45.7	Very low	68 Å²	68	85.4 Å²	85.4	48%	0.476	45%	0.451	S	S	.	.	H	α-helix	trans	-58.5	-31	179	59.2	0	0	0	0	113	K22 S23 F30	K22-S26 PolarHBondContact O-N 3.38Å; K22-S26 PolarHBondContact O-OG 2.94Å; S23-S26 PolarHBondContact O-OG 3.11Å; S26-F30 VanDerWaalsContact O-CB 3.3Å; S26-F30 WeakPolarHBondContact O-CB 3.3Å; S26-F30 PolarHBondContact O-N 2.93Å
27	R	40.8	Very low	46.8	Very low	95 Å²	95	87 Å²	87	36%	0.358	45%	0.454	S	S	.	.	H	α-helix	trans	-70.7	-47	178.5	172.8	176.3	169.9	171	-8.9	112.5	S23 Y24 S25 M31	S23-R27 VanDerWaalsContact O-CB 3.25Å; S23-R27 WeakPolarHBondContact O-CB 3.5Å; S23-R27 PolarHBondContact O-N 3.47Å; S23-R27 VanDerWaalsContact O-N 3.11Å; Y24-R27 WeakPolarHBondContact O-CB 3.47Å; Y24-R27 PolarHBondContact O-N 2.94Å; S25-R27 PolarHBondContact O-N 3.03Å; S25-R27 VanDerWaalsContact O-N 3.09Å; R27-M31 HydrophobicContact CG-CE 4.46Å; R27-M31 WeakPolarHBondContact O-CG 3.31Å; R27-M31 PolarHBondContact O-N 3.16Å
28	V	50	Low	47.6	Very low	70 Å²	70	85.9 Å²	85.9	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-41.3	175.9	173.8	0	0	0	0	109.7	Y24 S25 F30 M31 I32	Y24-V28 PolarHBondContact O-N 3.31Å; S25-V28 PolarHBondContact O-N 3.09Å; S25-V28 VanDerWaalsContact O-N 3.16Å; V28-F30 PolarHBondContact O-N 2.85Å; V28-M31 HydrophobicContact CG2-CE 4.5Å; V28-M31 PolarHBondContact O-N 2.83Å; V28-I32 HydrophobicContact CG1-CD1 3.5Å; V28-I32 HydrophobicContact CG1-CG1 4.13Å; V28-I32 WeakPolarHBondContact O-CB 3.37Å; V28-I32 WeakPolarHBondContact O-CG1 3.22Å; V28-I32 PolarHBondContact O-N 3.3Å
29	D	55.8	Low	48.4	Very low	85 Å²	85	87.6 Å²	87.6	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-62.1	-42.3	178.7	-64	-32.6	0	0	0	111.9	S25 I32 Q33	S25-D29 VanDerWaalsContact C-OD2 3.24Å; S25-D29 VanDerWaalsContact O-CB 3.31Å; S25-D29 WeakPolarHBondContact O-CB 3.27Å; S25-D29 PolarHBondContact O-N 3.45Å; S25-D29 PolarHBondContact OG-OD2 2.96Å; D29-I32 PolarHBondContact O-N 3.14Å; D29-Q33 WeakPolarHBondContact O-CB 3.21Å; D29-Q33 PolarHBondContact O-N 2.88Å
30	F	54.5	Low	49	Very low	67 Å²	67	85.5 Å²	85.5	29%	0.294	43%	0.431	S	S	.	.	H	α-helix	trans	-65.5	-44.9	175.4	177.7	-99	0	0	0	112.4	S26 V28 I32 Q33 E34 P97	S26-F30 VanDerWaalsContact O-CB 3.3Å; S26-F30 WeakPolarHBondContact O-CB 3.3Å; S26-F30 PolarHBondContact O-N 2.93Å; V28-F30 PolarHBondContact O-N 2.85Å; F30-I32 VanDerWaalsContact C-N 3.33Å; F30-I32 PolarHBondContact O-N 3.34Å; F30-Q33 PolarHBondContact O-N 2.87Å; F30-E34 HydrophobicContact CD1-CG 4.43Å; F30-E34 HydrophobicContact CD2-CG 4.48Å; F30-E34 HydrophobicContact CE1-CG 3.95Å; F30-E34 HydrophobicContact CE2-CG 3.99Å; F30-E34 HydrophobicContact CZ-CG 3.71Å; F30-E34 WeakPolarHBondContact O-CB 3.46Å; F30-E34 PolarHBondContact O-N 3.45Å; F30-P97 HydrophobicContact CE1-CG 4.01Å
31	M	50.4	Low	50	Low	61 Å²	61	88 Å²	88	30%	0.3	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-41.1	176.1	-72.3	-170.5	-57.5	0	0	111.5	R27 V28 A35	R27-M31 HydrophobicContact CG-CE 4.46Å; R27-M31 WeakPolarHBondContact O-CG 3.31Å; R27-M31 PolarHBondContact O-N 3.16Å; V28-M31 HydrophobicContact CG2-CE 4.5Å; V28-M31 PolarHBondContact O-N 2.83Å; M31-A35 WeakPolarHBondContact O-CB 3.46Å; M31-A35 PolarHBondContact O-N 3.5Å
32	I	54.9	Low	50.9	Low	100 Å²	100	82.7 Å²	82.7	51%	0.513	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-41.3	175.3	-70.3	173.5	0	0	0	110.4	V28 D29 F30 A35 S36	V28-I32 HydrophobicContact CG1-CD1 3.5Å; V28-I32 HydrophobicContact CG1-CG1 4.13Å; V28-I32 WeakPolarHBondContact O-CB 3.37Å; V28-I32 WeakPolarHBondContact O-CG1 3.22Å; V28-I32 PolarHBondContact O-N 3.3Å; D29-I32 PolarHBondContact O-N 3.14Å; F30-I32 VanDerWaalsContact C-N 3.33Å; F30-I32 PolarHBondContact O-N 3.34Å; I32-A35 PolarHBondContact O-N 3.18Å; I32-S36 VanDerWaalsContact O-CB 3.28Å; I32-S36 WeakPolarHBondContact O-CB 3.46Å; I32-S36 PolarHBondContact O-N 3.46Å; I32-S36 PolarHBondContact O-OG 3.21Å
33	Q	57.1	Low	51.4	Low	109 Å²	109	82.4 Å²	82.4	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-39.4	179	-168.1	-178.4	23.7	0	0	112.1	D29 F30 S36 K37	D29-Q33 WeakPolarHBondContact O-CB 3.21Å; D29-Q33 PolarHBondContact O-N 2.88Å; F30-Q33 PolarHBondContact O-N 2.87Å; Q33-S36 WeakPolarHBondContact CA-OG 3.49Å; Q33-S36 PolarHBondContact O-OG 3.48Å; Q33-K37 VanDerWaalsContact O-CG 3.31Å; Q33-K37 WeakPolarHBondContact O-CG 3.39Å; Q33-K37 PolarHBondContact O-N 2.93Å; Q33-K37 VanDerWaalsContact O-N 3.16Å
34	E	50.3	Low	51.6	Low	28 Å²	28	83 Å²	83	13%	0.131	45%	0.448	C	S	.	.	H	α-helix	trans	-69.8	-40.4	172.4	-75.9	-59.2	130.4	0	0	111.6	F30 S36 K37 L38 R53	F30-E34 HydrophobicContact CD1-CG 4.43Å; F30-E34 HydrophobicContact CD2-CG 4.48Å; F30-E34 HydrophobicContact CE1-CG 3.95Å; F30-E34 HydrophobicContact CE2-CG 3.99Å; F30-E34 HydrophobicContact CZ-CG 3.71Å; F30-E34 WeakPolarHBondContact O-CB 3.46Å; F30-E34 PolarHBondContact O-N 3.45Å; E34-S36 VanDerWaalsContact C-N 3.32Å; E34-S36 PolarHBondContact O-N 2.79Å; E34-K37 WeakPolarHBondContact O-CB 3.32Å; E34-K37 PolarHBondContact O-N 2.99Å; E34-K37 WeakPolarHBondContact OE1-CE 3.49Å; E34-K37 IonicContact OE1-NZ 2.67Å; E34-K37 PolarHBondContact OE1-NZ 2.85Å; E34-L38 WeakPolarHBondContact O-CD1 3.28Å; E34-L38 WeakPolarHBondContact O-CG 3.13Å; E34-L38 PolarHBondContact O-N 2.96Å; E34-R53 IonicContact OE2-CZ 2.68Å; E34-R53 IonicContact OE2-NH1 3.57Å; E34-R53 PolarHBondContact OE2-NH1 3.22Å; E34-R53 IonicContact OE2-NH2 3.43Å; E34-R53 PolarHBondContact OE2-NH2 3.32Å
35	A	47.9	Very low	52.6	Low	16 Å²	16	80.7 Å²	80.7	13%	0.132	44%	0.442	C	S	.	.	H	α-helix	trans	-61	-40.4	173.4	0	0	0	0	0	111.9	M31 I32 K37 L38 E39 V40 L46	M31-A35 WeakPolarHBondContact O-CB 3.46Å; M31-A35 PolarHBondContact O-N 3.5Å; I32-A35 PolarHBondContact O-N 3.18Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.43Å; A35-L38 WeakPolarHBondContact O-CB 3.13Å; A35-L38 PolarHBondContact O-N 3.27Å; A35-E39 PolarHBondContact O-N 3.21Å; A35-V40 PolarHBondContact O-N 3.16Å; A35-L46 HydrophobicContact CB-CD1 3.56Å; A35-L46 HydrophobicContact CB-CD2 4.3Å; A35-L46 HydrophobicContact CB-CG 4.41Å
36	S	52	Low	52.9	Low	77 Å²	77	79.3 Å²	79.3	54%	0.538	43%	0.429	S	S	.	.	H	α-helix	trans	-68.2	-33.7	179.6	67.7	0	0	0	0	111.8	I32 Q33 E34 L38 E39	I32-S36 VanDerWaalsContact O-CB 3.28Å; I32-S36 WeakPolarHBondContact O-CB 3.46Å; I32-S36 PolarHBondContact O-N 3.46Å; I32-S36 PolarHBondContact O-OG 3.21Å; Q33-S36 WeakPolarHBondContact CA-OG 3.49Å; Q33-S36 PolarHBondContact O-OG 3.48Å; E34-S36 VanDerWaalsContact C-N 3.32Å; E34-S36 PolarHBondContact O-N 2.79Å; S36-L38 PolarHBondContact O-N 3.27Å; S36-E39 PolarHBondContact O-N 2.84Å
37	K	58.1	Low	52.8	Low	129 Å²	129	82 Å²	82	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-64.6	-22.6	171.7	-71.7	170.6	-170.8	176.9	0	112.9	Q33 E34 A35	Q33-K37 VanDerWaalsContact O-CG 3.31Å; Q33-K37 WeakPolarHBondContact O-CG 3.39Å; Q33-K37 PolarHBondContact O-N 2.93Å; Q33-K37 VanDerWaalsContact O-N 3.16Å; E34-K37 WeakPolarHBondContact O-CB 3.32Å; E34-K37 PolarHBondContact O-N 2.99Å; E34-K37 WeakPolarHBondContact OE1-CE 3.49Å; E34-K37 IonicContact OE1-NZ 2.67Å; E34-K37 PolarHBondContact OE1-NZ 2.85Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.43Å
38	L	52.3	Low	53.7	Low	58 Å²	58	80.7 Å²	80.7	30%	0.304	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	0.5	-177.1	-68.1	160.9	0	0	0	112.6	E34 A35 S36 V40 C49	E34-L38 WeakPolarHBondContact O-CD1 3.28Å; E34-L38 WeakPolarHBondContact O-CG 3.13Å; E34-L38 PolarHBondContact O-N 2.96Å; A35-L38 WeakPolarHBondContact O-CB 3.13Å; A35-L38 PolarHBondContact O-N 3.27Å; S36-L38 PolarHBondContact O-N 3.27Å; L38-V40 VanDerWaalsContact C-N 3.26Å; L38-V40 HydrophobicContact CB-CB 4.46Å; L38-V40 HydrophobicContact CB-CG2 3.36Å; L38-V40 VanDerWaalsContact O-CG2 3.32Å; L38-V40 WeakPolarHBondContact O-CG2 3.46Å; L38-V40 PolarHBondContact O-N 2.8Å; L38-C49 HydrophobicContact CD1-CB 3.45Å; L38-C49 VanDerWaalsContact CD1-CB 3.45Å; L38-C49 HydrophobicContact CD2-CB 4.26Å; L38-C49 HydrophobicContact CG-CB 4.35Å
39	E	57	Low	54	Low	188 Å²	188	78.8 Å²	78.8	88%	0.879	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	-175.4	-64.3	-174	169	0	0	113.5	A35 S36	A35-E39 PolarHBondContact O-N 3.21Å; S36-E39 PolarHBondContact O-N 2.84Å
40	V	50.7	Low	54.1	Low	31 Å²	31	75.9 Å²	75.9	19%	0.188	41%	0.405	C	S	.	.			trans	-97.4	126.8	-170.1	-179.3	0	0	0	0	111.7	A35 L38 G42 Q45 L46	A35-V40 PolarHBondContact O-N 3.16Å; L38-V40 VanDerWaalsContact C-N 3.26Å; L38-V40 HydrophobicContact CB-CB 4.46Å; L38-V40 HydrophobicContact CB-CG2 3.36Å; L38-V40 VanDerWaalsContact O-CG2 3.32Å; L38-V40 WeakPolarHBondContact O-CG2 3.46Å; L38-V40 PolarHBondContact O-N 2.8Å; V40-G42 WeakPolarHBondContact CG1-O 3.48Å; V40-Q45 HydrophobicContact CB-CB 4.37Å; V40-Q45 HydrophobicContact CG1-CB 3.08Å; V40-Q45 HydrophobicContact CG1-CG 4.19Å; V40-Q45 VanDerWaalsContact CG1-OE1 3.31Å; V40-L46 HydrophobicContact CG1-CB 4.49Å
41	S	56.1	Low	54.3	Low	114 Å²	114	77.2 Å²	77.2	80%	0.797	41%	0.408	S	S	*	.			trans	-92.1	-2.9	-175.4	64.1	0	0	0	0	115.1	Q45	S41-Q45 PolarHBondContact OG-OE1 3.19Å
42	G	55	Low	54.8	Low	31 Å²	31	78.6 Å²	78.6	32%	0.32	41%	0.414	S	S	.	.	S	Bend	trans	-157.3	160	-179.8	0	0	0	0	0	116	V40 S44 Q45 L46	V40-G42 WeakPolarHBondContact CG1-O 3.48Å; G42-S44 PolarHBondContact O-N 3.27Å; G42-Q45 PolarHBondContact O-N 3.21Å; G42-Q45 VanDerWaalsContact O-N 3.15Å; G42-L46 PolarHBondContact O-N 2.81Å
43	I	52.9	Low	55	Low	151 Å²	151	77.9 Å²	77.9	77%	0.774	41%	0.405	S	S	*	.	H	α-helix	trans	-57.5	-36.4	-179.3	-63.7	169	0	0	0	111.9	L46 Y47	I43-L46 WeakPolarHBondContact O-CB 3.43Å; I43-L46 PolarHBondContact O-N 2.75Å; I43-Y47 PolarHBondContact O-N 3.16Å
44	S	51	Low	55	Low	71 Å²	71	72.8 Å²	72.8	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-43.6	177.9	55	0	0	0	0	112.4	G42 L46 Y47 N48	G42-S44 PolarHBondContact O-N 3.27Å; S44-L46 VanDerWaalsContact C-N 3.34Å; S44-Y47 PolarHBondContact O-N 3.47Å; S44-N48 PolarHBondContact O-N 3.05Å
45	Q	54.1	Low	55.5	Low	82 Å²	82	75.8 Å²	75.8	38%	0.383	40%	0.396	S	S	.	.	H	α-helix	trans	-69.9	-34.1	175.9	-68.4	175.4	-16	0	0	110.8	V40 S41 G42 Y47 N48 C49	V40-Q45 HydrophobicContact CB-CB 4.37Å; V40-Q45 HydrophobicContact CG1-CB 3.08Å; V40-Q45 HydrophobicContact CG1-CG 4.19Å; V40-Q45 VanDerWaalsContact CG1-OE1 3.31Å; S41-Q45 PolarHBondContact OG-OE1 3.19Å; G42-Q45 PolarHBondContact O-N 3.21Å; G42-Q45 VanDerWaalsContact O-N 3.15Å; Q45-Y47 VanDerWaalsContact C-N 3.35Å; Q45-Y47 PolarHBondContact O-N 2.72Å; Q45-N48 PolarHBondContact O-N 2.93Å; Q45-C49 PolarHBondContact O-N 3.38Å; Q45-C49 PolarHBondContact O-SG 3.47Å
46	L	53.5	Low	55.8	Low	35 Å²	35	80.4 Å²	80.4	18%	0.183	42%	0.418	C	S	.	.	H	α-helix	trans	-61.4	-45.6	174.1	179.1	61.7	0	0	0	110.5	A35 V40 G42 I43 S44 N48 C49 V50	A35-L46 HydrophobicContact CB-CD1 3.56Å; A35-L46 HydrophobicContact CB-CD2 4.3Å; A35-L46 HydrophobicContact CB-CG 4.41Å; V40-L46 HydrophobicContact CG1-CB 4.49Å; G42-L46 PolarHBondContact O-N 2.81Å; I43-L46 WeakPolarHBondContact O-CB 3.43Å; I43-L46 PolarHBondContact O-N 2.75Å; S44-L46 VanDerWaalsContact C-N 3.34Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.36Å; L46-C49 PolarHBondContact O-N 3.26Å; L46-V50 HydrophobicContact CD1-CG2 4.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 2.67Å
47	Y	55.1	Low	55.9	Low	123 Å²	123	79.5 Å²	79.5	48%	0.482	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-43.5	174.8	-172.8	-94.1	0	0	0	111.7	I43 S44 Q45 C49 V50 R51	I43-Y47 PolarHBondContact O-N 3.16Å; S44-Y47 PolarHBondContact O-N 3.47Å; Q45-Y47 VanDerWaalsContact C-N 3.35Å; Q45-Y47 PolarHBondContact O-N 2.72Å; Y47-C49 PolarHBondContact O-N 3.17Å; Y47-V50 PolarHBondContact O-N 3.11Å; Y47-R51 VanDerWaalsContact O-CB 3.24Å; Y47-R51 WeakPolarHBondContact O-CB 3.48Å; Y47-R51 PolarHBondContact O-N 3.38Å
48	N	57.9	Low	55.7	Low	68 Å²	68	74.3 Å²	74.3	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.5	-73	-19.8	0	0	0	112.2	S44 Q45 L46 R51 Q52	S44-N48 PolarHBondContact O-N 3.05Å; Q45-N48 PolarHBondContact O-N 2.93Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.36Å; N48-R51 PolarHBondContact O-N 2.81Å; N48-Q52 VanDerWaalsContact O-CB 3.28Å; N48-Q52 WeakPolarHBondContact O-CB 3.48Å; N48-Q52 PolarHBondContact O-N 2.79Å
49	C	58.2	Low	55.8	Low	31 Å²	31	71.6 Å²	71.6	21%	0.209	38%	0.378	C	S	.	.	H	α-helix	trans	-68.1	-42.4	175.9	-68.4	0	0	0	0	112.3	L38 Q45 L46 Y47 R51 Q52 R53	L38-C49 HydrophobicContact CD1-CB 3.45Å; L38-C49 VanDerWaalsContact CD1-CB 3.45Å; L38-C49 HydrophobicContact CD2-CB 4.26Å; L38-C49 HydrophobicContact CG-CB 4.35Å; Q45-C49 PolarHBondContact O-N 3.38Å; Q45-C49 PolarHBondContact O-SG 3.47Å; L46-C49 PolarHBondContact O-N 3.26Å; Y47-C49 PolarHBondContact O-N 3.17Å; C49-R51 VanDerWaalsContact C-N 3.32Å; C49-R51 PolarHBondContact O-N 3.24Å; C49-Q52 PolarHBondContact O-N 3.23Å; C49-R53 WeakPolarHBondContact O-CB 3.44Å; C49-R53 WeakPolarHBondContact O-CG 3.37Å; C49-R53 PolarHBondContact O-N 3.04Å
50	V	57.9	Low	55.7	Low	24 Å²	24	64.2 Å²	64.2	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-60.6	-45.4	174.5	171.4	0	0	0	0	109.9	L46 Y47 R53 M54	L46-V50 HydrophobicContact CD1-CG2 4.42Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 2.67Å; Y47-V50 PolarHBondContact O-N 3.11Å; V50-R53 PolarHBondContact O-N 2.72Å; V50-M54 WeakPolarHBondContact O-CG 3.34Å; V50-M54 PolarHBondContact O-N 3.27Å
51	R	57.8	Low	55.6	Low	94 Å²	94	68 Å²	68	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-44.2	176.1	-172.1	-175.3	177.3	-178.4	-2	112.2	Y47 N48 C49 M54 M55 L60	Y47-R51 VanDerWaalsContact O-CB 3.24Å; Y47-R51 WeakPolarHBondContact O-CB 3.48Å; Y47-R51 PolarHBondContact O-N 3.38Å; N48-R51 PolarHBondContact O-N 2.81Å; C49-R51 VanDerWaalsContact C-N 3.32Å; C49-R51 PolarHBondContact O-N 3.24Å; R51-M54 WeakPolarHBondContact O-CA 3.4Å; R51-M54 WeakPolarHBondContact O-CB 3.46Å; R51-M54 PolarHBondContact O-N 3.37Å; R51-M54 VanDerWaalsContact O-N 3.13Å; R51-M55 WeakPolarHBondContact O-CG 3.38Å; R51-M55 PolarHBondContact O-N 3.49Å; R51-L60 HydrophobicContact CB-CD1 4.45Å; R51-L60 HydrophobicContact CG-CD1 3.51Å
52	Q	61	Low	55.1	Low	90 Å²	90	66.5 Å²	66.5	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-46.3	176.9	-174.6	60.8	49.5	0	0	110.2	N48 C49 M54 M55 D56	N48-Q52 VanDerWaalsContact O-CB 3.28Å; N48-Q52 WeakPolarHBondContact O-CB 3.48Å; N48-Q52 PolarHBondContact O-N 2.79Å; C49-Q52 PolarHBondContact O-N 3.23Å; Q52-M54 VanDerWaalsContact C-N 3.25Å; Q52-M54 PolarHBondContact O-N 3.31Å; Q52-M55 CarbonylContact O-C 3.59Å; Q52-M55 WeakPolarHBondContact O-CA 3.31Å; Q52-M55 WeakPolarHBondContact O-CB 3.5Å; Q52-M55 PolarHBondContact O-N 2.86Å; Q52-D56 PolarHBondContact NE2-OD1 3.5Å; Q52-D56 PolarHBondContact O-N 2.87Å
53	R	58.8	Low	54.5	Low	86 Å²	86	67.3 Å²	67.3	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-37.9	173.1	-75.6	-175.1	-178.6	-171.6	7.3	112.4	E34 C49 V50 M55 D56 V57	E34-R53 IonicContact OE2-CZ 2.68Å; E34-R53 IonicContact OE2-NH1 3.57Å; E34-R53 PolarHBondContact OE2-NH1 3.22Å; E34-R53 IonicContact OE2-NH2 3.43Å; E34-R53 PolarHBondContact OE2-NH2 3.32Å; C49-R53 WeakPolarHBondContact O-CB 3.44Å; C49-R53 WeakPolarHBondContact O-CG 3.37Å; C49-R53 PolarHBondContact O-N 3.04Å; V50-R53 PolarHBondContact O-N 2.72Å; R53-M55 VanDerWaalsContact C-N 3.34Å; R53-D56 PolarHBondContact O-N 2.66Å; R53-V57 WeakPolarHBondContact O-CB 3.28Å; R53-V57 WeakPolarHBondContact O-CG2 3.36Å; R53-V57 PolarHBondContact O-N 3.46Å
54	M	56.7	Low	54.2	Low	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-63.9	-39.6	173	-70.6	-178.7	80.1	0	0	111.8	V50 R51 Q52 G58 L59 L60 V90 W93 T94	V50-M54 WeakPolarHBondContact O-CG 3.34Å; V50-M54 PolarHBondContact O-N 3.27Å; R51-M54 WeakPolarHBondContact O-CA 3.4Å; R51-M54 WeakPolarHBondContact O-CB 3.46Å; R51-M54 PolarHBondContact O-N 3.37Å; R51-M54 VanDerWaalsContact O-N 3.13Å; Q52-M54 VanDerWaalsContact C-N 3.25Å; Q52-M54 PolarHBondContact O-N 3.31Å; M54-G58 PolarHBondContact O-N 3.39Å; M54-L59 HydrophobicContact CB-CB 4.08Å; M54-L59 HydrophobicContact CE-CB 4.2Å; M54-L59 HydrophobicContact CG-CB 4.49Å; M54-L59 HydrophobicContact CG-CD1 4.39Å; M54-L59 WeakPolarHBondContact O-CA 3.01Å; M54-L59 VanDerWaalsContact O-CB 3.32Å; M54-L59 WeakPolarHBondContact O-CB 3.45Å; M54-L59 PolarHBondContact O-N 2.96Å; M54-L60 HydrophobicContact CB-CB 4.28Å; M54-L60 HydrophobicContact CB-CD1 3.53Å; M54-L60 HydrophobicContact CB-CG 3.66Å; M54-L60 HydrophobicContact CE-CD1 4.3Å; M54-L60 HydrophobicContact CE-CD2 4.18Å; M54-L60 HydrophobicContact CE-CG 3.94Å; M54-L60 HydrophobicContact CG-CD1 4.34Å; M54-L60 PolarHBondContact O-N 3.16Å; M54-L60 VanDerWaalsContact O-N 3.11Å; M54-L60 HydrophobicContact SD-CD1 3.91Å; M54-L60 HydrophobicContact SD-CG 4.21Å; M54-V90 HydrophobicContact CE-CB 4.16Å; M54-V90 HydrophobicContact CE-CG1 3.64Å; M54-V90 HydrophobicContact CE-CG2 3.94Å; M54-W93 HydrophobicContact CE-CG 4.32Å; M54-W93 HydrophobicContact CG-CG 4.26Å; M54-W93 HydrophobicContact SD-CG 4.34Å; M54-T94 HydrophobicContact SD-CG2 4.1Å
55	M	61.9	Low	54	Low	91 Å²	91	66 Å²	66	45%	0.448	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-46.5	173	-66.8	-177.3	65.2	0	0	111.3	R51 Q52 R53 V57 G58 L60	R51-M55 WeakPolarHBondContact O-CG 3.38Å; R51-M55 PolarHBondContact O-N 3.49Å; Q52-M55 CarbonylContact O-C 3.59Å; Q52-M55 WeakPolarHBondContact O-CA 3.31Å; Q52-M55 WeakPolarHBondContact O-CB 3.5Å; Q52-M55 PolarHBondContact O-N 2.86Å; R53-M55 VanDerWaalsContact C-N 3.34Å; M55-V57 VanDerWaalsContact C-N 3.29Å; M55-V57 PolarHBondContact O-N 3.4Å; M55-G58 WeakPolarHBondContact O-CA 3.45Å; M55-G58 PolarHBondContact O-N 3.07Å; M55-L60 HydrophobicContact CG-CB 3.71Å; M55-L60 HydrophobicContact CG-CD1 4.3Å
56	D	53.8	Low	53.5	Low	112 Å²	112	63 Å²	63	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-61.2	-36.4	-179.7	-59.7	-21.8	0	0	0	112.2	Q52 R53 G58	Q52-D56 PolarHBondContact NE2-OD1 3.5Å; Q52-D56 PolarHBondContact O-N 2.87Å; R53-D56 PolarHBondContact O-N 2.66Å; D56-G58 PolarHBondContact O-N 3.34Å
57	V	53.1	Low	53.1	Low	58 Å²	58	71.2 Å²	71.2	35%	0.352	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.1	176.6	-177.8	0	0	0	0	111.7	R53 M55 L59 A102	R53-V57 WeakPolarHBondContact O-CB 3.28Å; R53-V57 WeakPolarHBondContact O-CG2 3.36Å; R53-V57 PolarHBondContact O-N 3.46Å; M55-V57 VanDerWaalsContact C-N 3.29Å; M55-V57 PolarHBondContact O-N 3.4Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 HydrophobicContact CB-CD1 4.36Å; V57-L59 HydrophobicContact CB-CG 4.04Å; V57-L59 HydrophobicContact CG1-CD1 4.16Å; V57-L59 HydrophobicContact CG1-CD2 4.14Å; V57-L59 HydrophobicContact CG1-CG 3.88Å; V57-L59 PolarHBondContact O-N 3.45Å; V57-A102 HydrophobicContact CG1-CB 4.32Å
58	G	55.9	Low	53	Low	21 Å²	21	66.7 Å²	66.7	22%	0.216	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	21.5	-178.2	0	0	0	0	0	113.4	M54 M55 D56 R109	M54-G58 PolarHBondContact O-N 3.39Å; M55-G58 WeakPolarHBondContact O-CA 3.45Å; M55-G58 PolarHBondContact O-N 3.07Å; D56-G58 PolarHBondContact O-N 3.34Å; G58-R109 PolarHBondContact O-NH1 3.31Å
59	L	53.6	Low	52.9	Low	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-83.8	-22	174.7	-53	-178.3	0	0	0	112.1	M54 V57 Y86 W93 A102 I105 K106	M54-L59 HydrophobicContact CB-CB 4.08Å; M54-L59 HydrophobicContact CE-CB 4.2Å; M54-L59 HydrophobicContact CG-CB 4.49Å; M54-L59 HydrophobicContact CG-CD1 4.39Å; M54-L59 WeakPolarHBondContact O-CA 3.01Å; M54-L59 VanDerWaalsContact O-CB 3.32Å; M54-L59 WeakPolarHBondContact O-CB 3.45Å; M54-L59 PolarHBondContact O-N 2.96Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 HydrophobicContact CB-CD1 4.36Å; V57-L59 HydrophobicContact CB-CG 4.04Å; V57-L59 HydrophobicContact CG1-CD1 4.16Å; V57-L59 HydrophobicContact CG1-CD2 4.14Å; V57-L59 HydrophobicContact CG1-CG 3.88Å; V57-L59 PolarHBondContact O-N 3.45Å; L59-Y86 PolarHBondContact O-OH 3.49Å; L59-W93 HydrophobicContact CD1-CD2 3.93Å; L59-W93 HydrophobicContact CD1-CE3 4.06Å; L59-W93 HydrophobicContact CD1-CH2 4.27Å; L59-W93 HydrophobicContact CD1-CZ2 4.11Å; L59-W93 HydrophobicContact CD1-CZ3 4.23Å; L59-A102 HydrophobicContact CD1-CB 4.17Å; L59-I105 HydrophobicContact CB-CG2 4.09Å; L59-I105 HydrophobicContact CD1-CD1 4.05Å; L59-I105 HydrophobicContact CD2-CB 3.89Å; L59-I105 HydrophobicContact CD2-CG2 3.71Å; L59-I105 HydrophobicContact CG-CG2 4.34Å; L59-K106 HydrophobicContact CD2-CG 3.65Å
60	L	53.9	Low	52.7	Low	33 Å²	33	66.6 Å²	66.6	17%	0.173	32%	0.321	C	S	.	.	S	Bend	trans	-124.5	80	173.9	-71.4	174.9	0	0	0	109	R51 M54 M55	R51-L60 HydrophobicContact CB-CD1 4.45Å; R51-L60 HydrophobicContact CG-CD1 3.51Å; M54-L60 HydrophobicContact CB-CB 4.28Å; M54-L60 HydrophobicContact CB-CD1 3.53Å; M54-L60 HydrophobicContact CB-CG 3.66Å; M54-L60 HydrophobicContact CE-CD1 4.3Å; M54-L60 HydrophobicContact CE-CD2 4.18Å; M54-L60 HydrophobicContact CE-CG 3.94Å; M54-L60 HydrophobicContact CG-CD1 4.34Å; M54-L60 PolarHBondContact O-N 3.16Å; M54-L60 VanDerWaalsContact O-N 3.11Å; M54-L60 HydrophobicContact SD-CD1 3.91Å; M54-L60 HydrophobicContact SD-CG 4.21Å; M55-L60 HydrophobicContact CG-CB 3.71Å; M55-L60 HydrophobicContact CG-CD1 4.3Å
61	E	50	Low	53	Low	111 Å²	111	71.9 Å²	71.9	52%	0.519	35%	0.348	S	S	.	.			trans	-82.8	172.8	160.3	-79.2	173.9	-139.9	0	0	110.2	N63 R109	E61-N63 PolarHBondContact O-N 3.41Å; E61-N63 PolarHBondContact O-ND2 3.27Å; E61-N63 PolarHBondContact O-OD1 2.88Å; E61-R109 VanDerWaalsContact CB-NH2 3.31Å; E61-R109 IonicContact OE1-CZ 2.68Å; E61-R109 IonicContact OE1-NH1 3.56Å; E61-R109 PolarHBondContact OE1-NH1 3.43Å; E61-R109 IonicContact OE1-NH2 3.65Å; E61-R109 PolarHBondContact OE1-NH2 3.4Å; E61-R109 IonicContact OE2-CZ 2.79Å; E61-R109 IonicContact OE2-NH1 3.56Å; E61-R109 IonicContact OE2-NH2 2.73Å; E61-R109 PolarHBondContact OE2-NH2 3.18Å
62	D	44.1	Very low	53.8	Low	82 Å²	82	67.6 Å²	67.6	44%	0.439	33%	0.333	S	S	.	.			trans	-57.6	90.3	176	-151.5	-16.8	0	0	0	109	R64 Q161	D62-R64 HydrophobicContact CB-CG 4.42Å; D62-R64 VanDerWaalsContact CG-NE 3.3Å; D62-R64 PolarHBondContact O-N 3.24Å; D62-R64 WeakPolarHBondContact OD1-CG 3.22Å; D62-R64 IonicContact OD1-NE 3.11Å; D62-R64 PolarHBondContact OD1-NE 3.04Å; D62-R64 VanDerWaalsContact OD1-NE 3.11Å; D62-R64 IonicContact OD2-CZ 3.22Å; D62-R64 IonicContact OD2-NE 2.94Å; D62-R64 PolarHBondContact OD2-NE 3.15Å; D62-R64 IonicContact OD2-NH2 2.74Å; D62-R64 PolarHBondContact OD2-NH2 3.28Å; D62-Q161 PolarHBondContact OD2-OE1 3.26Å
63	N	44.3	Very low	54.6	Low	49 Å²	49	66.2 Å²	66.2	26%	0.262	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-69.1	29	-173.5	-77.2	-35.9	0	0	0	111.3	E61 N65 L66 R67	E61-N63 PolarHBondContact O-N 3.41Å; E61-N63 PolarHBondContact O-ND2 3.27Å; E61-N63 PolarHBondContact O-OD1 2.88Å; N63-N65 PolarHBondContact O-N 3.02Å; N63-L66 HydrophobicContact CB-CB 4.03Å; N63-L66 HydrophobicContact CB-CD1 4.25Å; N63-L66 CarbonylContact O-C 3.54Å; N63-L66 WeakPolarHBondContact O-CA 3.49Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 3.13Å; N63-L66 WeakPolarHBondContact OD1-CD1 3.5Å; N63-R67 PolarHBondContact O-N 3.47Å
64	R	45.9	Very low	55.6	Low	117 Å²	117	62.3 Å²	62.3	44%	0.442	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-59.8	-32.3	179.6	-50.3	-141.3	-153.4	145.7	1	111	D62 L66 R67	D62-R64 HydrophobicContact CB-CG 4.42Å; D62-R64 VanDerWaalsContact CG-NE 3.3Å; D62-R64 PolarHBondContact O-N 3.24Å; D62-R64 WeakPolarHBondContact OD1-CG 3.22Å; D62-R64 IonicContact OD1-NE 3.11Å; D62-R64 PolarHBondContact OD1-NE 3.04Å; D62-R64 VanDerWaalsContact OD1-NE 3.11Å; D62-R64 IonicContact OD2-CZ 3.22Å; D62-R64 IonicContact OD2-NE 2.94Å; D62-R64 PolarHBondContact OD2-NE 3.15Å; D62-R64 IonicContact OD2-NH2 2.74Å; D62-R64 PolarHBondContact OD2-NH2 3.28Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.03Å; R64-R67 VanDerWaalsContact O-CB 3.31Å; R64-R67 WeakPolarHBondContact O-CB 3.32Å; R64-R67 PolarHBondContact O-N 3.09Å
65	N	46	Very low	56.9	Low	76 Å²	76	63.1 Å²	63.1	41%	0.406	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64	-34.1	170.6	-65.8	-18.5	0	0	0	112.8	N63 N68	N63-N65 PolarHBondContact O-N 3.02Å; N65-N68 PolarHBondContact O-ND2 3.5Å
66	L	45	Very low	58.1	Low	20 Å²	20	61 Å²	61	11%	0.105	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.6	177.1	-74.9	167.7	0	0	0	113.8	N63 R64 N68 K83 Y86 L112 L116	N63-L66 HydrophobicContact CB-CB 4.03Å; N63-L66 HydrophobicContact CB-CD1 4.25Å; N63-L66 CarbonylContact O-C 3.54Å; N63-L66 WeakPolarHBondContact O-CA 3.49Å; N63-L66 WeakPolarHBondContact O-CB 3.44Å; N63-L66 PolarHBondContact O-N 3.13Å; N63-L66 WeakPolarHBondContact OD1-CD1 3.5Å; R64-L66 VanDerWaalsContact C-N 3.32Å; R64-L66 PolarHBondContact O-N 3.03Å; L66-N68 PolarHBondContact O-N 3.16Å; L66-N68 VanDerWaalsContact O-O 3.1Å; L66-K83 HydrophobicContact CD2-CD 4.37Å; L66-K83 HydrophobicContact CD2-CG 4.15Å; L66-K83 VanDerWaalsContact O-CE 3.27Å; L66-K83 WeakPolarHBondContact O-CE 3.46Å; L66-K83 PolarHBondContact O-NZ 3.37Å; L66-K83 VanDerWaalsContact O-NZ 3.11Å; L66-Y86 HydrophobicContact CD1-CD1 3.86Å; L66-Y86 HydrophobicContact CD1-CE1 3.5Å; L66-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L66-L112 HydrophobicContact CD1-CD2 4.48Å; L66-L112 HydrophobicContact CD2-CD1 4.47Å; L66-L112 HydrophobicContact CD2-CD2 3.2Å; L66-L112 HydrophobicContact CD2-CG 3.9Å; L66-L112 HydrophobicContact CG-CD2 4.37Å; L66-L116 HydrophobicContact CD2-CD1 4.49Å
67	R	45.1	Very low	59.6	Low	207 Å²	207	61.9 Å²	61.9	78%	0.781	32%	0.317	S	S	*	.			trans	-71.8	-12.5	-178.8	-149.7	179.1	-173.9	-159.7	1.8	112.5	N63 R64 S69	N63-R67 PolarHBondContact O-N 3.47Å; R64-R67 VanDerWaalsContact O-CB 3.31Å; R64-R67 WeakPolarHBondContact O-CB 3.32Å; R64-R67 PolarHBondContact O-N 3.09Å; R67-S69 PolarHBondContact O-N 2.95Å
68	N	51.5	Low	61.2	Low	28 Å²	28	64.1 Å²	64.1	15%	0.15	32%	0.323	C	S	.	.	S	Bend	trans	-51.8	134	164.3	-63.7	-14	0	0	0	108.1	N65 L66 A72 K83 F155	N65-N68 PolarHBondContact O-ND2 3.5Å; L66-N68 PolarHBondContact O-N 3.16Å; L66-N68 VanDerWaalsContact O-O 3.1Å; N68-A72 HydrophobicContact CB-CB 4.49Å; N68-K83 PolarHBondContact O-NZ 2.87Å; N68-F155 WeakPolarHBondContact ND2-CD2 3.39Å
69	S	55.5	Low	62.6	Low	52 Å²	52	63.1 Å²	63.1	36%	0.364	31%	0.313	S	S	.	.			trans	-55.3	150.4	177.6	-169.8	0	0	0	0	110.4	R67 D71 A72	R67-S69 PolarHBondContact O-N 2.95Å; S69-D71 PolarHBondContact O-N 3.45Å; S69-D71 PolarHBondContact OG-N 2.9Å; S69-D71 PolarHBondContact OG-OD2 3.32Å; S69-A72 VanDerWaalsContact O-CB 3.28Å; S69-A72 WeakPolarHBondContact O-CB 3.33Å; S69-A72 PolarHBondContact O-N 3.17Å; S69-A72 VanDerWaalsContact O-N 3.12Å
70	I	55.4	Low	63.9	Low	46 Å²	46	65.1 Å²	65.1	24%	0.236	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.7	165.3	-69.7	168.6	0	0	0	109.4	A72 I80 K83 L84	I70-A72 PolarHBondContact O-N 2.87Å; I70-I80 HydrophobicContact CG2-CG2 4.01Å; I70-K83 HydrophobicContact CG1-CD 3.86Å; I70-K83 HydrophobicContact CG1-CG 4.44Å; I70-L84 HydrophobicContact CD1-CD2 3.79Å
71	D	63	Low	65.2	Low	134 Å²	134	69.6 Å²	69.6	72%	0.717	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	11.5	-179.8	-43.8	-52.5	0	0	0	113.9	S69 P73	S69-D71 PolarHBondContact O-N 3.45Å; S69-D71 PolarHBondContact OG-N 2.9Å; S69-D71 PolarHBondContact OG-OD2 3.32Å; D71-P73 VanDerWaalsContact O-CD 3.29Å; D71-P73 WeakPolarHBondContact O-CD 3.32Å
72	A	76.2	Confident	66.8	Low	4 Å²	4	65.2 Å²	65.2	3%	0.033	32%	0.324	C	S	.	.			trans	-65.6	115.2	178	0	0	0	0	0	109.9	N68 S69 I70 W74 L75	N68-A72 HydrophobicContact CB-CB 4.49Å; S69-A72 VanDerWaalsContact O-CB 3.28Å; S69-A72 WeakPolarHBondContact O-CB 3.33Å; S69-A72 PolarHBondContact O-N 3.17Å; S69-A72 VanDerWaalsContact O-N 3.12Å; I70-A72 PolarHBondContact O-N 2.87Å; A72-W74 HydrophobicContact CB-CD2 4.06Å; A72-W74 HydrophobicContact CB-CH2 3.97Å; A72-W74 HydrophobicContact CB-CZ2 3.53Å; A72-W74 PolarHBondContact O-N 3.43Å; A72-L75 HydrophobicContact CB-CD1 3.89Å; A72-L75 HydrophobicContact CB-CG 3.88Å; A72-L75 WeakPolarHBondContact O-CB 3.3Å; A72-L75 PolarHBondContact O-N 3.48Å
73	P	77.8	Confident	68.5	Low	61 Å²	61	62 Å²	62	40%	0.396	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.4	-173.2	29.6	-39.5	0	0	0	114.1	D71 L144 Q148	D71-P73 VanDerWaalsContact O-CD 3.29Å; D71-P73 WeakPolarHBondContact O-CD 3.32Å; P73-L144 HydrophobicContact CB-CD2 4.02Å; P73-L144 HydrophobicContact CG-CD2 3.49Å; P73-L144 VanDerWaalsContact CG-CD2 3.49Å; P73-Q148 HydrophobicContact CG-CB 4.14Å; P73-Q148 HydrophobicContact CG-CG 3.89Å
74	W	79.3	Confident	70.1	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.015	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.7	175.8	56.6	83.6	0	0	0	114.2	A72 W123 Q148 E151 L152 F155	A72-W74 HydrophobicContact CB-CD2 4.06Å; A72-W74 HydrophobicContact CB-CH2 3.97Å; A72-W74 HydrophobicContact CB-CZ2 3.53Å; A72-W74 PolarHBondContact O-N 3.43Å; W74-W123 HydrophobicContact CB-CD2 4.09Å; W74-W123 HydrophobicContact CB-CG 4.43Å; W74-W123 HydrophobicContact CB-CH2 4.33Å; W74-W123 HydrophobicContact CB-CZ2 3.51Å; W74-W123 VanDerWaalsContact CB-NE1 3.31Å; W74-W123 PolarHBondContact O-NE1 2.88Å; W74-Q148 HydrophobicContact CZ3-CB 4.04Å; W74-Q148 WeakPolarHBondContact CZ3-O 3.37Å; W74-E151 HydrophobicContact CH2-CB 3.18Å; W74-E151 HydrophobicContact CH2-CG 4.26Å; W74-E151 WeakPolarHBondContact CH2-OE2 3.24Å; W74-E151 HydrophobicContact CZ2-CB 3.74Å; W74-E151 HydrophobicContact CZ3-CB 4.01Å; W74-L152 HydrophobicContact CB-CD1 3.81Å; W74-L152 HydrophobicContact CD2-CB 4.19Å; W74-L152 HydrophobicContact CD2-CD1 3.92Å; W74-L152 HydrophobicContact CE3-CB 3.83Å; W74-L152 HydrophobicContact CE3-CD1 4.26Å; W74-L152 HydrophobicContact CG-CD1 3.72Å; W74-L152 HydrophobicContact CZ3-CB 4.17Å; W74-F155 AromaticContact CD1-CD1 3.67Å; W74-F155 AromaticContact CD1-CE1 3.91Å; W74-F155 AromaticContact NE1-CD1 3.72Å; W74-F155 AromaticContact NE1-CG 3.76Å
75	L	84.1	Confident	71.8	Confident	19 Å²	19	60.2 Å²	60.2	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-80.6	141.6	169.6	-62.1	178.6	0	0	0	109.6	A72 A79 I80 L116 L119	A72-L75 HydrophobicContact CB-CD1 3.89Å; A72-L75 HydrophobicContact CB-CG 3.88Å; A72-L75 WeakPolarHBondContact O-CB 3.3Å; A72-L75 PolarHBondContact O-N 3.48Å; L75-A79 HydrophobicContact CB-CB 4.39Å; L75-A79 HydrophobicContact CD2-CB 4.14Å; L75-I80 HydrophobicContact CB-CD1 4.4Å; L75-I80 HydrophobicContact CB-CG1 3.98Å; L75-I80 HydrophobicContact CD1-CG1 4.46Å; L75-L116 HydrophobicContact CD2-CD2 3.72Å; L75-L119 HydrophobicContact CD2-CD1 4.09Å
76	D	85.9	Confident	73.5	Confident	48 Å²	48	57 Å²	57	26%	0.257	29%	0.29	S	S	.	.			trans	-89.7	168.4	168.5	61.3	14	0	0	0	111.1	E78 A79 I80 K115	D76-E78 PolarHBondContact O-N 3.47Å; D76-A79 PolarHBondContact O-N 3.31Å; D76-A79 VanDerWaalsContact O-N 3.14Å; D76-A79 VanDerWaalsContact OD1-CB 3.27Å; D76-A79 WeakPolarHBondContact OD1-CB 3.34Å; D76-A79 PolarHBondContact OD1-N 2.99Å; D76-I80 WeakPolarHBondContact O-CG1 3.41Å; D76-I80 PolarHBondContact O-N 2.87Å; D76-K115 WeakPolarHBondContact OD1-CE 3.28Å; D76-K115 IonicContact OD1-NZ 2.66Å; D76-K115 WeakPolarHBondContact OD2-CE 3.46Å; D76-K115 IonicContact OD2-NZ 2.79Å; D76-K115 PolarHBondContact OD2-NZ 3.2Å
77	D	85.1	Confident	75	Confident	129 Å²	129	60.6 Å²	60.6	69%	0.69	31%	0.306	S	S	*	.	H	α-helix	trans	-56	-35.9	-177.3	-64.1	-27.7	0	0	0	112.1	I80 Q81	D77-I80 PolarHBondContact O-N 3.19Å; D77-Q81 WeakPolarHBondContact O-CB 3.32Å; D77-Q81 VanDerWaalsContact O-CG 3.28Å; D77-Q81 WeakPolarHBondContact O-CG 3.5Å; D77-Q81 PolarHBondContact O-N 2.93Å
78	E	87.5	Confident	76.5	Confident	105 Å²	105	53.1 Å²	53.1	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-68.3	-44.8	178.9	-173.8	-177.5	177.4	0	0	112	D76 I80 Q81 L82 K115	D76-E78 PolarHBondContact O-N 3.47Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 3.2Å; E78-Q81 PolarHBondContact O-N 3.45Å; E78-L82 HydrophobicContact CG-CD1 4.33Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.39Å; E78-K115 HydrophobicContact CG-CD 4.37Å; E78-K115 WeakPolarHBondContact OE2-CE 3.41Å; E78-K115 IonicContact OE2-NZ 3.18Å; E78-K115 PolarHBondContact OE2-NZ 3.2Å
79	A	85.1	Confident	77.7	Confident	1 Å²	1	52 Å²	52	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-37	175.3	0	0	0	0	0	112	L75 D76 K83 K115 L119	L75-A79 HydrophobicContact CB-CB 4.39Å; L75-A79 HydrophobicContact CD2-CB 4.14Å; D76-A79 PolarHBondContact O-N 3.31Å; D76-A79 VanDerWaalsContact O-N 3.14Å; D76-A79 VanDerWaalsContact OD1-CB 3.27Å; D76-A79 WeakPolarHBondContact OD1-CB 3.34Å; D76-A79 PolarHBondContact OD1-N 2.99Å; A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.31Å; A79-K83 PolarHBondContact O-N 2.91Å; A79-K115 HydrophobicContact CB-CG 3.94Å; A79-L119 HydrophobicContact CB-CD1 3.69Å
80	I	80.2	Confident	78.6	Confident	42 Å²	42	50.9 Å²	50.9	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-48.7	174.4	-69.2	167.4	0	0	0	110.2	I70 L75 D76 D77 E78 K83 L84	I70-I80 HydrophobicContact CG2-CG2 4.01Å; L75-I80 HydrophobicContact CB-CD1 4.4Å; L75-I80 HydrophobicContact CB-CG1 3.98Å; L75-I80 HydrophobicContact CD1-CG1 4.46Å; D76-I80 WeakPolarHBondContact O-CG1 3.41Å; D76-I80 PolarHBondContact O-N 2.87Å; D77-I80 PolarHBondContact O-N 3.19Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 3.2Å; I80-K83 PolarHBondContact O-N 3.15Å; I80-L84 HydrophobicContact CG2-CD1 4.09Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 2.79Å
81	Q	82.4	Confident	79.4	Confident	126 Å²	126	51 Å²	51	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-60.2	-48.6	177.5	-76.4	178.2	1.8	0	0	111.9	D77 E78 K83 L84 C85	D77-Q81 WeakPolarHBondContact O-CB 3.32Å; D77-Q81 VanDerWaalsContact O-CG 3.28Å; D77-Q81 WeakPolarHBondContact O-CG 3.5Å; D77-Q81 PolarHBondContact O-N 2.93Å; E78-Q81 PolarHBondContact O-N 3.45Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 2.85Å; Q81-L84 PolarHBondContact O-N 3.5Å; Q81-L84 VanDerWaalsContact O-N 3.15Å; Q81-C85 WeakPolarHBondContact O-CB 3.37Å; Q81-C85 PolarHBondContact O-N 2.92Å; Q81-C85 PolarHBondContact O-SG 3.25Å
82	L	83.6	Confident	79.7	Confident	20 Å²	20	46.4 Å²	46.4	11%	0.105	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-39	177.6	-77.5	170.2	0	0	0	112.1	E78 Y86 Q111 L112 K115	E78-L82 HydrophobicContact CG-CD1 4.33Å; E78-L82 WeakPolarHBondContact O-CB 3.46Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.39Å; L82-Y86 WeakPolarHBondContact O-CB 3.17Å; L82-Y86 PolarHBondContact O-N 3.32Å; L82-Q111 HydrophobicContact CD1-CB 4.3Å; L82-Q111 HydrophobicContact CD2-CB 3.87Å; L82-L112 HydrophobicContact CB-CB 4.21Å; L82-L112 HydrophobicContact CB-CD1 3.82Å; L82-L112 HydrophobicContact CB-CG 4.43Å; L82-K115 HydrophobicContact CD1-CB 4Å; L82-K115 HydrophobicContact CD1-CG 4.24Å
83	K	78.9	Confident	79.3	Confident	14 Å²	14	47.2 Å²	47.2	6%	0.061	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-42.1	176.3	-175.4	175	173.8	-167.3	0	112.4	L66 N68 I70 A79 I80 Q81 Y86 Q87 L112	L66-K83 HydrophobicContact CD2-CD 4.37Å; L66-K83 HydrophobicContact CD2-CG 4.15Å; L66-K83 VanDerWaalsContact O-CE 3.27Å; L66-K83 WeakPolarHBondContact O-CE 3.46Å; L66-K83 PolarHBondContact O-NZ 3.37Å; L66-K83 VanDerWaalsContact O-NZ 3.11Å; N68-K83 PolarHBondContact O-NZ 2.87Å; I70-K83 HydrophobicContact CG1-CD 3.86Å; I70-K83 HydrophobicContact CG1-CG 4.44Å; A79-K83 VanDerWaalsContact O-CB 3.31Å; A79-K83 WeakPolarHBondContact O-CB 3.31Å; A79-K83 PolarHBondContact O-N 2.91Å; I80-K83 PolarHBondContact O-N 3.15Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 2.85Å; K83-Y86 PolarHBondContact O-N 3.48Å; K83-Q87 WeakPolarHBondContact O-CG 3.5Å; K83-Q87 PolarHBondContact O-N 2.87Å; K83-L112 HydrophobicContact CB-CD1 4.45Å; K83-L112 HydrophobicContact CB-CD2 4.22Å
84	L	79.2	Confident	78.8	Confident	83 Å²	83	46.5 Å²	46.5	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-47.2	174.3	-72.4	171.4	0	0	0	111	I70 I80 Q81 Y86 Q87 E88	I70-L84 HydrophobicContact CD1-CD2 3.79Å; I80-L84 HydrophobicContact CG2-CD1 4.09Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 2.79Å; Q81-L84 PolarHBondContact O-N 3.5Å; Q81-L84 VanDerWaalsContact O-N 3.15Å; L84-Y86 VanDerWaalsContact C-N 3.26Å; L84-Y86 PolarHBondContact O-N 3.35Å; L84-Q87 PolarHBondContact O-N 3.22Å; L84-E88 WeakPolarHBondContact O-CB 3.37Å; L84-E88 PolarHBondContact O-N 3.46Å
85	C	80.4	Confident	78	Confident	46 Å²	46	47.9 Å²	47.9	31%	0.311	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-37.7	175.2	-69.2	0	0	0	0	112.1	Q81 A89 I108	Q81-C85 WeakPolarHBondContact O-CB 3.37Å; Q81-C85 PolarHBondContact O-N 2.92Å; Q81-C85 PolarHBondContact O-SG 3.25Å; C85-A89 VanDerWaalsContact O-CB 3.22Å; C85-A89 WeakPolarHBondContact O-CB 3.28Å; C85-A89 PolarHBondContact O-N 3.02Å; C85-I108 HydrophobicContact CB-CD1 4.34Å; C85-I108 HydrophobicContact CB-CG2 4.29Å
86	Y	82	Confident	77.1	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-46.2	175.6	-179.3	-104	0	0	0	111.8	L59 L66 L82 K83 L84 E88 A89 V90 I105 I108 R109 L112	L59-Y86 PolarHBondContact O-OH 3.49Å; L66-Y86 HydrophobicContact CD1-CD1 3.86Å; L66-Y86 HydrophobicContact CD1-CE1 3.5Å; L66-Y86 VanDerWaalsContact CD1-CE1 3.5Å; L82-Y86 WeakPolarHBondContact O-CB 3.17Å; L82-Y86 PolarHBondContact O-N 3.32Å; K83-Y86 PolarHBondContact O-N 3.48Å; L84-Y86 VanDerWaalsContact C-N 3.26Å; L84-Y86 PolarHBondContact O-N 3.35Å; Y86-E88 VanDerWaalsContact C-N 3.32Å; Y86-E88 PolarHBondContact O-N 2.82Å; Y86-A89 PolarHBondContact O-N 2.99Å; Y86-V90 HydrophobicContact CD1-CG2 4.29Å; Y86-V90 HydrophobicContact CD2-CG2 4.48Å; Y86-V90 HydrophobicContact CE1-CG2 3.96Å; Y86-V90 HydrophobicContact CE2-CG2 4.16Å; Y86-V90 WeakPolarHBondContact O-CB 3.39Å; Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.34Å; Y86-V90 PolarHBondContact O-N 3.43Å; Y86-I105 HydrophobicContact CD2-CG2 4.17Å; Y86-I105 HydrophobicContact CE2-CG2 3.62Å; Y86-I108 HydrophobicContact CD2-CG2 4.34Å; Y86-R109 HydrophobicContact CD2-CB 4.24Å; Y86-R109 HydrophobicContact CE2-CB 3.85Å; Y86-R109 HydrophobicContact CE2-CG 4.15Å; Y86-L112 HydrophobicContact CG-CD2 4.47Å
87	Q	77	Confident	76.2	Confident	94 Å²	94	52 Å²	52	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-42.4	176.5	-73.4	179.4	-10.4	0	0	111.7	K83 L84 V90 S91	K83-Q87 WeakPolarHBondContact O-CG 3.5Å; K83-Q87 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 3.22Å; Q87-V90 PolarHBondContact O-N 2.91Å; Q87-S91 WeakPolarHBondContact O-CB 3.36Å; Q87-S91 PolarHBondContact O-N 3.31Å
88	E	76.6	Confident	75.7	Confident	50 Å²	50	47.9 Å²	47.9	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-47.2	175.3	-173.1	-178.1	-171	0	0	111.3	L84 Y86 V90 S91 L92 Y254	L84-E88 WeakPolarHBondContact O-CB 3.37Å; L84-E88 PolarHBondContact O-N 3.46Å; Y86-E88 VanDerWaalsContact C-N 3.32Å; Y86-E88 PolarHBondContact O-N 2.82Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 2.79Å; E88-S91 CarbonylContact O-C 3.41Å; E88-S91 WeakPolarHBondContact O-CB 3.4Å; E88-S91 PolarHBondContact O-N 3.22Å; E88-L92 WeakPolarHBondContact O-CB 3.42Å; E88-L92 PolarHBondContact O-N 2.95Å; E88-Y254 WeakPolarHBondContact OE1-CE2 3.43Å; E88-Y254 PolarHBondContact OE1-OH 2.65Å; E88-Y254 PolarHBondContact OE2-OH 3.04Å
89	A	76.9	Confident	75.1	Confident	6 Å²	6	47.8 Å²	47.8	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-40	179	0	0	0	0	0	112.1	C85 Y86 L92 W93 I105 I108	C85-A89 VanDerWaalsContact O-CB 3.22Å; C85-A89 WeakPolarHBondContact O-CB 3.28Å; C85-A89 PolarHBondContact O-N 3.02Å; Y86-A89 PolarHBondContact O-N 2.99Å; A89-L92 WeakPolarHBondContact O-CB 3.28Å; A89-L92 PolarHBondContact O-N 3.31Å; A89-W93 PolarHBondContact O-N 2.9Å; A89-I105 HydrophobicContact CB-CG1 3.68Å; A89-I108 HydrophobicContact CB-CD1 3.82Å
90	V	73.1	Confident	74.6	Confident	28 Å²	28	51 Å²	51	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-45.6	173.1	165.3	0	0	0	0	111	M54 Y86 Q87 E88 L92 W93 T94 I105	M54-V90 HydrophobicContact CE-CB 4.16Å; M54-V90 HydrophobicContact CE-CG1 3.64Å; M54-V90 HydrophobicContact CE-CG2 3.94Å; Y86-V90 HydrophobicContact CD1-CG2 4.29Å; Y86-V90 HydrophobicContact CD2-CG2 4.48Å; Y86-V90 HydrophobicContact CE1-CG2 3.96Å; Y86-V90 HydrophobicContact CE2-CG2 4.16Å; Y86-V90 WeakPolarHBondContact O-CB 3.39Å; Y86-V90 VanDerWaalsContact O-CG2 3.31Å; Y86-V90 WeakPolarHBondContact O-CG2 3.34Å; Y86-V90 PolarHBondContact O-N 3.43Å; Q87-V90 PolarHBondContact O-N 2.91Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 2.79Å; V90-L92 VanDerWaalsContact C-N 3.25Å; V90-L92 PolarHBondContact O-N 2.88Å; V90-W93 PolarHBondContact O-N 3.3Å; V90-T94 WeakPolarHBondContact O-CG2 3.47Å; V90-T94 PolarHBondContact O-N 2.83Å; V90-T94 PolarHBondContact O-OG1 3.3Å; V90-I105 HydrophobicContact CG2-CG2 4.39Å
91	S	72.3	Confident	74.4	Confident	48 Å²	48	49.9 Å²	49.9	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-33.5	175.1	-172.3	0	0	0	0	112.4	Q87 E88 T94 T95	Q87-S91 WeakPolarHBondContact O-CB 3.36Å; Q87-S91 PolarHBondContact O-N 3.31Å; E88-S91 CarbonylContact O-C 3.41Å; E88-S91 WeakPolarHBondContact O-CB 3.4Å; E88-S91 PolarHBondContact O-N 3.22Å; S91-T94 PolarHBondContact O-OG1 2.91Å; S91-T95 PolarHBondContact O-N 3.27Å; S91-T95 PolarHBondContact O-OG1 2.94Å
92	L	69.7	Low	74.1	Confident	38 Å²	38	44.1 Å²	44.1	20%	0.199	25%	0.253	C	S	.	.	H	α-helix	trans	-69	-42.5	175.1	-175.8	65.9	0	0	0	110.4	E88 A89 V90 T95 W96 Y251	E88-L92 WeakPolarHBondContact O-CB 3.42Å; E88-L92 PolarHBondContact O-N 2.95Å; A89-L92 WeakPolarHBondContact O-CB 3.28Å; A89-L92 PolarHBondContact O-N 3.31Å; V90-L92 VanDerWaalsContact C-N 3.25Å; V90-L92 PolarHBondContact O-N 2.88Å; L92-T95 CarbonylContact O-C 3.48Å; L92-T95 WeakPolarHBondContact O-CA 3.18Å; L92-T95 WeakPolarHBondContact O-CB 3.42Å; L92-T95 PolarHBondContact O-N 3.15Å; L92-T95 VanDerWaalsContact O-N 3.11Å; L92-W96 PolarHBondContact O-N 3.39Å; L92-Y251 HydrophobicContact CD1-CE1 4.19Å
93	W	68	Low	73.9	Confident	21 Å²	21	48.3 Å²	48.3	8%	0.08	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.1	175	-79.3	0	0	0	113.2	M54 L59 A89 V90 T95 W96 P97 T98 C101 A102 I105	M54-W93 HydrophobicContact CE-CG 4.32Å; M54-W93 HydrophobicContact CG-CG 4.26Å; M54-W93 HydrophobicContact SD-CG 4.34Å; L59-W93 HydrophobicContact CD1-CD2 3.93Å; L59-W93 HydrophobicContact CD1-CE3 4.06Å; L59-W93 HydrophobicContact CD1-CH2 4.27Å; L59-W93 HydrophobicContact CD1-CZ2 4.11Å; L59-W93 HydrophobicContact CD1-CZ3 4.23Å; A89-W93 PolarHBondContact O-N 2.9Å; V90-W93 PolarHBondContact O-N 3.3Å; W93-T95 PolarHBondContact O-N 3.15Å; W93-T95 VanDerWaalsContact O-N 3.15Å; W93-W96 CarbonylContact O-C 3.41Å; W93-W96 PolarHBondContact O-N 2.88Å; W93-P97 HydrophobicContact CD2-CB 3.88Å; W93-P97 HydrophobicContact CE3-CB 4.36Å; W93-P97 HydrophobicContact CG-CB 4.34Å; W93-P97 HydrophobicContact CH2-CB 4.19Å; W93-P97 HydrophobicContact CZ2-CB 3.71Å; W93-P97 HydrophobicContact CZ3-CB 4.47Å; W93-P97 WeakPolarHBondContact O-CD 3.31Å; W93-P97 VanDerWaalsContact O-N 3.16Å; W93-T98 WeakPolarHBondContact CZ3-O 3.27Å; W93-C101 HydrophobicContact CE3-CB 3.57Å; W93-C101 HydrophobicContact CZ3-CB 4.16Å; W93-A102 HydrophobicContact CE3-CB 4.05Å; W93-A102 HydrophobicContact CH2-CB 3.67Å; W93-A102 VanDerWaalsContact CZ3-CA 3.43Å; W93-A102 HydrophobicContact CZ3-CB 3.21Å; W93-I105 HydrophobicContact CB-CD1 3.46Å; W93-I105 VanDerWaalsContact CB-CD1 3.46Å; W93-I105 HydrophobicContact CD2-CD1 4.25Å; W93-I105 HydrophobicContact CE3-CD1 4.22Å; W93-I105 HydrophobicContact CG-CD1 3.95Å
94	T	66.6	Low	73.9	Confident	46 Å²	46	52.7 Å²	52.7	28%	0.282	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-23.7	175.4	55.9	0	0	0	0	112.1	M54 V90 S91	M54-T94 HydrophobicContact SD-CG2 4.1Å; V90-T94 WeakPolarHBondContact O-CG2 3.47Å; V90-T94 PolarHBondContact O-N 2.83Å; V90-T94 PolarHBondContact O-OG1 3.3Å; S91-T94 PolarHBondContact O-OG1 2.91Å
95	T	62.3	Low	74	Confident	33 Å²	33	48.7 Å²	48.7	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-92.6	-33.8	177.4	-53.9	0	0	0	0	113.2	S91 L92 W93	S91-T95 PolarHBondContact O-N 3.27Å; S91-T95 PolarHBondContact O-OG1 2.94Å; L92-T95 CarbonylContact O-C 3.48Å; L92-T95 WeakPolarHBondContact O-CA 3.18Å; L92-T95 WeakPolarHBondContact O-CB 3.42Å; L92-T95 PolarHBondContact O-N 3.15Å; L92-T95 VanDerWaalsContact O-N 3.11Å; W93-T95 PolarHBondContact O-N 3.15Å; W93-T95 VanDerWaalsContact O-N 3.15Å
96	W	65.3	Low	74	Confident	124 Å²	124	50.3 Å²	50.3	47%	0.47	27%	0.269	S	S	.	.			trans	-149.9	81	-173.8	-155.8	-13	0	0	0	111.3	L92 W93 T98 C101 F255	L92-W96 PolarHBondContact O-N 3.39Å; W93-W96 CarbonylContact O-C 3.41Å; W93-W96 PolarHBondContact O-N 2.88Å; W96-T98 HydrophobicContact CG-CG2 4.17Å; W96-T98 PolarHBondContact O-N 3.33Å; W96-C101 PolarHBondContact O-SG 2.92Å; W96-F255 HydrophobicContact CZ3-CZ 4.42Å
97	P	67.6	Low	74.2	Confident	28 Å²	28	52.5 Å²	52.5	18%	0.182	29%	0.286	C	S	.	.			trans	-78	97.8	-177.4	29.3	-31.3	0	0	0	110.1	F30 W93	F30-P97 HydrophobicContact CE1-CG 4.01Å; W93-P97 HydrophobicContact CD2-CB 3.88Å; W93-P97 HydrophobicContact CE3-CB 4.36Å; W93-P97 HydrophobicContact CG-CB 4.34Å; W93-P97 HydrophobicContact CH2-CB 4.19Å; W93-P97 HydrophobicContact CZ2-CB 3.71Å; W93-P97 HydrophobicContact CZ3-CB 4.47Å; W93-P97 WeakPolarHBondContact O-CD 3.31Å; W93-P97 VanDerWaalsContact O-N 3.16Å
98	T	74.1	Confident	74.4	Confident	44 Å²	44	48.8 Å²	48.8	27%	0.27	27%	0.268	S	S	.	.			trans	-119.7	152.2	175.4	68.5	0	0	0	0	110.6	W93 W96 A100 C101 A102	W93-T98 WeakPolarHBondContact CZ3-O 3.27Å; W96-T98 HydrophobicContact CG-CG2 4.17Å; W96-T98 PolarHBondContact O-N 3.33Å; T98-A100 PolarHBondContact O-N 2.95Å; T98-A100 VanDerWaalsContact O-N 3.13Å; T98-C101 WeakPolarHBondContact O-CA 3.45Å; T98-C101 WeakPolarHBondContact O-CB 3.27Å; T98-C101 PolarHBondContact O-N 2.77Å; T98-C101 PolarHBondContact OG1-N 3.4Å; T98-C101 PolarHBondContact OG1-SG 3.2Å; T98-A102 PolarHBondContact O-N 2.89Å; T98-A102 VanDerWaalsContact O-N 3.09Å
99	S	74.7	Confident	74.7	Confident	102 Å²	102	48 Å²	48	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-51.8	-39	177	52	0	0	0	0	113.1	C101 A102 E103	S99-C101 PolarHBondContact O-N 2.86Å; S99-A102 WeakPolarHBondContact O-CB 3.47Å; S99-A102 PolarHBondContact O-N 2.97Å; S99-A102 VanDerWaalsContact O-N 3.16Å; S99-E103 PolarHBondContact O-N 2.91Å
100	A	75.7	Confident	75	Confident	69 Å²	69	54 Å²	54	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-40.9	175	0	0	0	0	0	112.8	T98 A102 R104	T98-A100 PolarHBondContact O-N 2.95Å; T98-A100 VanDerWaalsContact O-N 3.13Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A100-A102 PolarHBondContact O-N 3.13Å; A100-R104 WeakPolarHBondContact O-CB 3.33Å; A100-R104 PolarHBondContact O-N 3.28Å
101	C	76.4	Confident	75.7	Confident	18 Å²	18	57.5 Å²	57.5	12%	0.122	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-38.2	173.6	-66.7	0	0	0	0	111.8	W93 W96 T98 S99 R104 I105	W93-C101 HydrophobicContact CE3-CB 3.57Å; W93-C101 HydrophobicContact CZ3-CB 4.16Å; W96-C101 PolarHBondContact O-SG 2.92Å; T98-C101 WeakPolarHBondContact O-CA 3.45Å; T98-C101 WeakPolarHBondContact O-CB 3.27Å; T98-C101 PolarHBondContact O-N 2.77Å; T98-C101 PolarHBondContact OG1-N 3.4Å; T98-C101 PolarHBondContact OG1-SG 3.2Å; S99-C101 PolarHBondContact O-N 2.86Å; C101-R104 PolarHBondContact O-N 2.96Å; C101-I105 VanDerWaalsContact O-CG1 3.28Å; C101-I105 WeakPolarHBondContact O-CG1 3.35Å; C101-I105 PolarHBondContact O-N 2.82Å
102	A	75.6	Confident	76.3	Confident	5 Å²	5	55.3 Å²	55.3	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-50.3	178.2	0	0	0	0	0	110.7	V57 L59 W93 T98 S99 A100 R104 I105 K106	V57-A102 HydrophobicContact CG1-CB 4.32Å; L59-A102 HydrophobicContact CD1-CB 4.17Å; W93-A102 HydrophobicContact CE3-CB 4.05Å; W93-A102 HydrophobicContact CH2-CB 3.67Å; W93-A102 VanDerWaalsContact CZ3-CA 3.43Å; W93-A102 HydrophobicContact CZ3-CB 3.21Å; T98-A102 PolarHBondContact O-N 2.89Å; T98-A102 VanDerWaalsContact O-N 3.09Å; S99-A102 WeakPolarHBondContact O-CB 3.47Å; S99-A102 PolarHBondContact O-N 2.97Å; S99-A102 VanDerWaalsContact O-N 3.16Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A100-A102 PolarHBondContact O-N 3.13Å; A102-R104 VanDerWaalsContact C-N 3.27Å; A102-R104 PolarHBondContact O-N 2.88Å; A102-I105 PolarHBondContact O-N 3.47Å; A102-I105 VanDerWaalsContact O-N 3.15Å; A102-K106 WeakPolarHBondContact O-CG 3.33Å; A102-K106 PolarHBondContact O-N 3.26Å
103	E	79.5	Confident	76.9	Confident	108 Å²	108	55.9 Å²	55.9	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-37.1	180	-67.5	-51.9	126.9	0	0	111.6	S99 K106 S107	S99-E103 PolarHBondContact O-N 2.91Å; E103-K106 PolarHBondContact O-N 3.27Å; E103-K106 IonicContact OE1-NZ 2.79Å; E103-K106 PolarHBondContact OE1-NZ 3.41Å; E103-S107 WeakPolarHBondContact O-CB 3.43Å; E103-S107 PolarHBondContact O-N 3.39Å
104	R	79.6	Confident	77.8	Confident	106 Å²	106	58.4 Å²	58.4	40%	0.4	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-46.3	172.1	-174.6	174.6	177.7	-166.9	-3.7	112.2	A100 C101 A102 S107 I108	A100-R104 WeakPolarHBondContact O-CB 3.33Å; A100-R104 PolarHBondContact O-N 3.28Å; C101-R104 PolarHBondContact O-N 2.96Å; A102-R104 VanDerWaalsContact C-N 3.27Å; A102-R104 PolarHBondContact O-N 2.88Å; R104-S107 PolarHBondContact O-N 3.34Å; R104-I108 HydrophobicContact CG-CD1 3.84Å; R104-I108 HydrophobicContact CG-CG1 4.46Å; R104-I108 VanDerWaalsContact O-CG1 3.3Å; R104-I108 WeakPolarHBondContact O-CG1 3.37Å; R104-I108 PolarHBondContact O-N 3.03Å
105	I	79.8	Confident	78.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-45.3	177.4	-68.2	164.6	0	0	0	110.6	L59 Y86 A89 V90 W93 C101 A102 S107 I108 R109	L59-I105 HydrophobicContact CB-CG2 4.09Å; L59-I105 HydrophobicContact CD1-CD1 4.05Å; L59-I105 HydrophobicContact CD2-CB 3.89Å; L59-I105 HydrophobicContact CD2-CG2 3.71Å; L59-I105 HydrophobicContact CG-CG2 4.34Å; Y86-I105 HydrophobicContact CD2-CG2 4.17Å; Y86-I105 HydrophobicContact CE2-CG2 3.62Å; A89-I105 HydrophobicContact CB-CG1 3.68Å; V90-I105 HydrophobicContact CG2-CG2 4.39Å; W93-I105 HydrophobicContact CB-CD1 3.46Å; W93-I105 VanDerWaalsContact CB-CD1 3.46Å; W93-I105 HydrophobicContact CD2-CD1 4.25Å; W93-I105 HydrophobicContact CE3-CD1 4.22Å; W93-I105 HydrophobicContact CG-CD1 3.95Å; C101-I105 VanDerWaalsContact O-CG1 3.28Å; C101-I105 WeakPolarHBondContact O-CG1 3.35Å; C101-I105 PolarHBondContact O-N 2.82Å; A102-I105 PolarHBondContact O-N 3.47Å; A102-I105 VanDerWaalsContact O-N 3.15Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.91Å; I105-I108 PolarHBondContact O-N 3.39Å; I105-R109 WeakPolarHBondContact O-CB 3.29Å; I105-R109 PolarHBondContact O-N 3.35Å
106	K	81.5	Confident	79.8	Confident	80 Å²	80	56.4 Å²	56.4	35%	0.348	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-45.7	176.2	-71.3	177.9	-171.9	167.4	0	111.5	L59 A102 E103 R109 Q110	L59-K106 HydrophobicContact CD2-CG 3.65Å; A102-K106 WeakPolarHBondContact O-CG 3.33Å; A102-K106 PolarHBondContact O-N 3.26Å; E103-K106 PolarHBondContact O-N 3.27Å; E103-K106 IonicContact OE1-NZ 2.79Å; E103-K106 PolarHBondContact OE1-NZ 3.41Å; K106-R109 PolarHBondContact O-N 2.86Å; K106-Q110 WeakPolarHBondContact O-CB 3.28Å; K106-Q110 PolarHBondContact O-N 3.43Å
107	S	84.6	Confident	80.8	Confident	55 Å²	55	55 Å²	55	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-50.2	178.7	-175	0	0	0	0	112	E103 R104 I105 R109 Q110 Q111	E103-S107 WeakPolarHBondContact O-CB 3.43Å; E103-S107 PolarHBondContact O-N 3.39Å; R104-S107 PolarHBondContact O-N 3.34Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 2.91Å; S107-R109 VanDerWaalsContact C-N 3.29Å; S107-R109 PolarHBondContact O-N 3.4Å; S107-Q110 PolarHBondContact O-N 3.04Å; S107-Q111 WeakPolarHBondContact O-CG 3.02Å; S107-Q111 PolarHBondContact O-N 3Å; S107-Q111 PolarHBondContact OG-NE2 2.78Å
108	I	83.3	Confident	81.7	Confident	15 Å²	15	57 Å²	57	8%	0.077	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-41.6	178	-63.7	165.2	0	0	0	110.3	C85 Y86 A89 R104 I105 Q110 Q111 L112	C85-I108 HydrophobicContact CB-CD1 4.34Å; C85-I108 HydrophobicContact CB-CG2 4.29Å; Y86-I108 HydrophobicContact CD2-CG2 4.34Å; A89-I108 HydrophobicContact CB-CD1 3.82Å; R104-I108 HydrophobicContact CG-CD1 3.84Å; R104-I108 HydrophobicContact CG-CG1 4.46Å; R104-I108 VanDerWaalsContact O-CG1 3.3Å; R104-I108 WeakPolarHBondContact O-CG1 3.37Å; R104-I108 PolarHBondContact O-N 3.03Å; I105-I108 PolarHBondContact O-N 3.39Å; I108-Q110 PolarHBondContact O-N 3.14Å; I108-Q111 PolarHBondContact O-N 2.91Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 PolarHBondContact O-N 2.7Å
109	R	81.2	Confident	82.4	Confident	33 Å²	33	55.4 Å²	55.4	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-44.1	178	-173	174.3	-178.3	-126.2	-25.7	111.9	G58 E61 Y86 I105 K106 S107 L112 N113	G58-R109 PolarHBondContact O-NH1 3.31Å; E61-R109 VanDerWaalsContact CB-NH2 3.31Å; E61-R109 IonicContact OE1-CZ 2.68Å; E61-R109 IonicContact OE1-NH1 3.56Å; E61-R109 PolarHBondContact OE1-NH1 3.43Å; E61-R109 IonicContact OE1-NH2 3.65Å; E61-R109 PolarHBondContact OE1-NH2 3.4Å; E61-R109 IonicContact OE2-CZ 2.79Å; E61-R109 IonicContact OE2-NH1 3.56Å; E61-R109 IonicContact OE2-NH2 2.73Å; E61-R109 PolarHBondContact OE2-NH2 3.18Å; Y86-R109 HydrophobicContact CD2-CB 4.24Å; Y86-R109 HydrophobicContact CE2-CB 3.85Å; Y86-R109 HydrophobicContact CE2-CG 4.15Å; I105-R109 WeakPolarHBondContact O-CB 3.29Å; I105-R109 PolarHBondContact O-N 3.35Å; K106-R109 PolarHBondContact O-N 2.86Å; S107-R109 VanDerWaalsContact C-N 3.29Å; S107-R109 PolarHBondContact O-N 3.4Å; R109-L112 PolarHBondContact O-N 2.72Å; R109-N113 WeakPolarHBondContact O-CB 3.4Å; R109-N113 VanDerWaalsContact O-CG 3.28Å; R109-N113 PolarHBondContact O-N 3.32Å; R109-N113 PolarHBondContact O-ND2 3.43Å
110	Q	84.5	Confident	82.9	Confident	134 Å²	134	52.3 Å²	52.3	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-62.2	-48.2	176.9	-174.3	178.4	3.9	0	0	111.1	K106 S107 I108 L112 N113 T114	K106-Q110 WeakPolarHBondContact O-CB 3.28Å; K106-Q110 PolarHBondContact O-N 3.43Å; S107-Q110 PolarHBondContact O-N 3.04Å; I108-Q110 PolarHBondContact O-N 3.14Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 2.91Å; Q110-N113 PolarHBondContact O-N 3.44Å; Q110-T114 PolarHBondContact O-N 3.34Å; Q110-T114 PolarHBondContact O-OG1 2.69Å
111	Q	86.4	Confident	83.4	Confident	101 Å²	101	54.6 Å²	54.6	47%	0.472	27%	0.267	S	S	.	.	H	α-helix	trans	-57.6	-45.3	176.9	-68.4	173.4	36.4	0	0	111.5	L82 S107 I108 T114 K115	L82-Q111 HydrophobicContact CD1-CB 4.3Å; L82-Q111 HydrophobicContact CD2-CB 3.87Å; S107-Q111 WeakPolarHBondContact O-CG 3.02Å; S107-Q111 PolarHBondContact O-N 3Å; S107-Q111 PolarHBondContact OG-NE2 2.78Å; I108-Q111 PolarHBondContact O-N 2.91Å; Q111-T114 PolarHBondContact O-N 3.11Å; Q111-K115 WeakPolarHBondContact O-CB 2.9Å; Q111-K115 PolarHBondContact O-N 2.8Å
112	L	85.5	Confident	84	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-42.9	178.8	-176.1	49.8	0	0	0	112.3	L66 L82 K83 Y86 I108 R109 Q110 K115 L116	L66-L112 HydrophobicContact CD1-CD2 4.48Å; L66-L112 HydrophobicContact CD2-CD1 4.47Å; L66-L112 HydrophobicContact CD2-CD2 3.2Å; L66-L112 HydrophobicContact CD2-CG 3.9Å; L66-L112 HydrophobicContact CG-CD2 4.37Å; L82-L112 HydrophobicContact CB-CB 4.21Å; L82-L112 HydrophobicContact CB-CD1 3.82Å; L82-L112 HydrophobicContact CB-CG 4.43Å; K83-L112 HydrophobicContact CB-CD1 4.45Å; K83-L112 HydrophobicContact CB-CD2 4.22Å; Y86-L112 HydrophobicContact CG-CD2 4.47Å; I108-L112 VanDerWaalsContact O-CB 3.28Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 PolarHBondContact O-N 2.7Å; R109-L112 PolarHBondContact O-N 2.72Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 2.91Å; L112-K115 PolarHBondContact O-N 2.88Å; L112-L116 HydrophobicContact CD1-CD1 4.16Å; L112-L116 HydrophobicContact CD1-CG 4.08Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 WeakPolarHBondContact O-CB 3.26Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.4Å
113	N	83.4	Confident	84.6	Confident	49 Å²	49	59.8 Å²	59.8	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-45.8	176	-76.8	-18.6	0	0	0	111.8	R109 Q110 K115 L116 L117	R109-N113 WeakPolarHBondContact O-CB 3.4Å; R109-N113 VanDerWaalsContact O-CG 3.28Å; R109-N113 PolarHBondContact O-N 3.32Å; R109-N113 PolarHBondContact O-ND2 3.43Å; Q110-N113 PolarHBondContact O-N 3.44Å; N113-K115 VanDerWaalsContact C-N 3.33Å; N113-K115 PolarHBondContact O-N 3.03Å; N113-L116 PolarHBondContact O-N 2.54Å; N113-L117 WeakPolarHBondContact O-CG 3.33Å; N113-L117 PolarHBondContact O-N 3.11Å
114	T	85.9	Confident	85	Confident	75 Å²	75	58.8 Å²	58.8	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-47.9	175	-61.6	0	0	0	0	110.7	Q110 Q111 L116 L117 D118	Q110-T114 PolarHBondContact O-N 3.34Å; Q110-T114 PolarHBondContact O-OG1 2.69Å; Q111-T114 PolarHBondContact O-N 3.11Å; T114-L116 PolarHBondContact O-N 2.77Å; T114-L117 PolarHBondContact O-N 3.29Å; T114-D118 PolarHBondContact O-N 3.48Å
115	K	86.4	Confident	85.4	Confident	24 Å²	24	59.8 Å²	59.8	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-41.6	179.2	-172.6	68.4	-175	-173.5	0	113.1	D76 E78 A79 L82 Q111 L112 N113 D118 L119	D76-K115 WeakPolarHBondContact OD1-CE 3.28Å; D76-K115 IonicContact OD1-NZ 2.66Å; D76-K115 WeakPolarHBondContact OD2-CE 3.46Å; D76-K115 IonicContact OD2-NZ 2.79Å; D76-K115 PolarHBondContact OD2-NZ 3.2Å; E78-K115 HydrophobicContact CG-CD 4.37Å; E78-K115 WeakPolarHBondContact OE2-CE 3.41Å; E78-K115 IonicContact OE2-NZ 3.18Å; E78-K115 PolarHBondContact OE2-NZ 3.2Å; A79-K115 HydrophobicContact CB-CG 3.94Å; L82-K115 HydrophobicContact CD1-CB 4Å; L82-K115 HydrophobicContact CD1-CG 4.24Å; Q111-K115 WeakPolarHBondContact O-CB 2.9Å; Q111-K115 PolarHBondContact O-N 2.8Å; L112-K115 PolarHBondContact O-N 2.88Å; N113-K115 VanDerWaalsContact C-N 3.33Å; N113-K115 PolarHBondContact O-N 3.03Å; K115-D118 PolarHBondContact O-N 3.24Å; K115-L119 WeakPolarHBondContact O-CG 3.3Å; K115-L119 PolarHBondContact O-N 3.12Å
116	L	85.4	Confident	85.8	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-67.7	-35.1	177.6	-71.9	175.9	0	0	0	112.2	L66 L75 L112 N113 T114 R120 F155	L66-L116 HydrophobicContact CD2-CD1 4.49Å; L75-L116 HydrophobicContact CD2-CD2 3.72Å; L112-L116 HydrophobicContact CD1-CD1 4.16Å; L112-L116 HydrophobicContact CD1-CG 4.08Å; L112-L116 HydrophobicContact CG-CD1 4.2Å; L112-L116 WeakPolarHBondContact O-CB 3.26Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.41Å; L112-L116 PolarHBondContact O-N 3.4Å; N113-L116 PolarHBondContact O-N 2.54Å; T114-L116 PolarHBondContact O-N 2.77Å; L116-R120 VanDerWaalsContact O-CB 3.3Å; L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 PolarHBondContact O-N 3.16Å; L116-F155 HydrophobicContact CD2-CE2 4.16Å; L116-F155 HydrophobicContact CD2-CZ 4.25Å
117	L	85.1	Confident	86.1	Confident	93 Å²	93	61.6 Å²	61.6	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-45.8	173.6	-73.9	169.6	0	0	0	111.3	N113 T114 L119 R120 Q121	N113-L117 WeakPolarHBondContact O-CG 3.33Å; N113-L117 PolarHBondContact O-N 3.11Å; T114-L117 PolarHBondContact O-N 3.29Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 2.71Å; L117-R120 WeakPolarHBondContact O-CB 3.48Å; L117-R120 PolarHBondContact O-N 2.97Å; L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 3.32Å
118	D	87.7	Confident	86.2	Confident	72 Å²	72	61.8 Å²	61.8	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-43.8	176.1	-73.6	4.5	0	0	0	111.6	T114 K115 Q121 K122	T114-D118 PolarHBondContact O-N 3.48Å; K115-D118 PolarHBondContact O-N 3.24Å; D118-Q121 PolarHBondContact O-N 3.27Å; D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 2.84Å; D118-K122 VanDerWaalsContact O-N 3.17Å
119	L	87.1	Confident	86.4	Confident	9 Å²	9	67 Å²	67	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-64.1	-41.2	175.7	-75.8	174.3	0	0	0	111.7	L75 A79 K115 L117 Q121 K122 W123 F155	L75-L119 HydrophobicContact CD2-CD1 4.09Å; A79-L119 HydrophobicContact CB-CD1 3.69Å; K115-L119 WeakPolarHBondContact O-CG 3.3Å; K115-L119 PolarHBondContact O-N 3.12Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 2.71Å; L119-Q121 PolarHBondContact O-N 2.73Å; L119-K122 PolarHBondContact O-N 3.16Å; L119-W123 WeakPolarHBondContact O-CB 3.03Å; L119-W123 PolarHBondContact O-N 3.18Å; L119-F155 HydrophobicContact CB-CE1 4.4Å; L119-F155 HydrophobicContact CB-CZ 4.31Å
120	R	85.8	Confident	86.6	Confident	38 Å²	38	65.8 Å²	65.8	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-49	177.6	178	178.3	-71	-179.5	-1.7	111	L116 L117 K122 W123 E124 F155 G158	L116-R120 VanDerWaalsContact O-CB 3.3Å; L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 PolarHBondContact O-N 3.16Å; L117-R120 WeakPolarHBondContact O-CB 3.48Å; L117-R120 PolarHBondContact O-N 2.97Å; R120-K122 PolarHBondContact O-N 3.41Å; R120-W123 PolarHBondContact O-N 2.97Å; R120-E124 WeakPolarHBondContact O-CB 3.43Å; R120-E124 PolarHBondContact O-N 3.42Å; R120-F155 HydrophobicContact CB-CE1 4.17Å; R120-F155 HydrophobicContact CB-CZ 4.12Å; R120-F155 PolarHBondContact NE-O 3.44Å; R120-F155 PolarHBondContact NH2-O 2.68Å; R120-G158 PolarHBondContact NH1-O 2.92Å; R120-G158 VanDerWaalsContact NH1-O 3.13Å
121	Q	86.8	Confident	86.4	Confident	116 Å²	116	67.8 Å²	67.8	54%	0.542	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-47.8	178.7	-69.9	176	0.6	0	0	111.6	L117 D118 L119 W123 E124 E125	L117-Q121 WeakPolarHBondContact O-CG 3.09Å; L117-Q121 PolarHBondContact O-N 3.32Å; D118-Q121 PolarHBondContact O-N 3.27Å; L119-Q121 PolarHBondContact O-N 2.73Å; Q121-W123 VanDerWaalsContact C-N 3.27Å; Q121-W123 PolarHBondContact O-N 2.94Å; Q121-E124 PolarHBondContact O-N 3.46Å; Q121-E125 WeakPolarHBondContact O-CG 3.36Å; Q121-E125 PolarHBondContact O-N 3.32Å
122	K	89.5	Confident	86.2	Confident	108 Å²	108	69.6 Å²	69.6	47%	0.47	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-38.3	176.9	-71.7	172.5	-177.5	172.7	0	112.7	D118 L119 R120 K126	D118-K122 WeakPolarHBondContact O-CG 3.31Å; D118-K122 PolarHBondContact O-N 2.84Å; D118-K122 VanDerWaalsContact O-N 3.17Å; L119-K122 PolarHBondContact O-N 3.16Å; R120-K122 PolarHBondContact O-N 3.41Å; K122-K126 WeakPolarHBondContact O-CG 3.3Å; K122-K126 PolarHBondContact O-N 2.89Å
123	W	88.3	Confident	86.1	Confident	25 Å²	25	73.4 Å²	73.4	10%	0.095	36%	0.359	C	S	.	.	H	α-helix	trans	-77.5	-35.6	179.1	-82.5	110.2	0	0	0	113	W74 L119 R120 Q121 E125 K126 I127 L142 L152	W74-W123 HydrophobicContact CB-CD2 4.09Å; W74-W123 HydrophobicContact CB-CG 4.43Å; W74-W123 HydrophobicContact CB-CH2 4.33Å; W74-W123 HydrophobicContact CB-CZ2 3.51Å; W74-W123 VanDerWaalsContact CB-NE1 3.31Å; W74-W123 PolarHBondContact O-NE1 2.88Å; L119-W123 WeakPolarHBondContact O-CB 3.03Å; L119-W123 PolarHBondContact O-N 3.18Å; R120-W123 PolarHBondContact O-N 2.97Å; Q121-W123 VanDerWaalsContact C-N 3.27Å; Q121-W123 PolarHBondContact O-N 2.94Å; W123-E125 VanDerWaalsContact C-N 3.32Å; W123-E125 PolarHBondContact O-N 3.27Å; W123-K126 HydrophobicContact CD2-CD 4.24Å; W123-K126 HydrophobicContact CE3-CB 4.17Å; W123-K126 HydrophobicContact CE3-CD 3.76Å; W123-K126 HydrophobicContact CH2-CD 4.38Å; W123-K126 HydrophobicContact CZ3-CD 3.87Å; W123-K126 PolarHBondContact O-N 3.49Å; W123-I127 WeakPolarHBondContact O-CB 3.5Å; W123-I127 WeakPolarHBondContact O-CD1 3.33Å; W123-I127 WeakPolarHBondContact O-CG1 3.42Å; W123-I127 PolarHBondContact O-N 2.99Å; W123-L142 HydrophobicContact CZ3-CD2 4.09Å; W123-L152 HydrophobicContact CB-CD1 3.88Å; W123-L152 HydrophobicContact CD2-CD1 3.68Å; W123-L152 HydrophobicContact CD2-CD2 4.12Å; W123-L152 HydrophobicContact CE3-CD1 3.86Å; W123-L152 HydrophobicContact CE3-CD2 3.4Å; W123-L152 HydrophobicContact CE3-CG 4.24Å; W123-L152 HydrophobicContact CG-CD1 3.68Å; W123-L152 HydrophobicContact CH2-CD2 4.44Å; W123-L152 HydrophobicContact CZ3-CD2 3.57Å
124	E	87.3	Confident	86.2	Confident	87 Å²	87	75 Å²	75	41%	0.407	37%	0.367	S	S	.	.	H	α-helix	trans	-59	-44.6	172.4	-170.9	176	-179.7	0	0	111	R120 Q121 K126 I127 N128	R120-E124 WeakPolarHBondContact O-CB 3.43Å; R120-E124 PolarHBondContact O-N 3.42Å; Q121-E124 PolarHBondContact O-N 3.46Å; E124-K126 PolarHBondContact O-N 2.68Å; E124-I127 PolarHBondContact O-N 3.43Å; E124-N128 WeakPolarHBondContact O-CB 3.48Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 2.98Å; E124-N128 PolarHBondContact O-OD1 3.4Å
125	E	88.1	Confident	86	Confident	127 Å²	127	74.7 Å²	74.7	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-46.5	173.7	-71.2	176.5	-178.8	0	0	112.5	Q121 W123 I127 N128 N129	Q121-E125 WeakPolarHBondContact O-CG 3.36Å; Q121-E125 PolarHBondContact O-N 3.32Å; W123-E125 VanDerWaalsContact C-N 3.32Å; W123-E125 PolarHBondContact O-N 3.27Å; E125-I127 PolarHBondContact O-N 2.79Å; E125-N128 WeakPolarHBondContact O-CB 3.1Å; E125-N128 PolarHBondContact O-N 3.33Å; E125-N129 PolarHBondContact O-N 2.74Å; E125-N129 PolarHBondContact O-ND2 2.95Å
126	K	88.9	Confident	86	Confident	101 Å²	101	82.3 Å²	82.3	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177.3	-74.6	177.8	179.8	179.7	0	112.6	K122 W123 E124 N129 C130 L142	K122-K126 WeakPolarHBondContact O-CG 3.3Å; K122-K126 PolarHBondContact O-N 2.89Å; W123-K126 HydrophobicContact CD2-CD 4.24Å; W123-K126 HydrophobicContact CE3-CB 4.17Å; W123-K126 HydrophobicContact CE3-CD 3.76Å; W123-K126 HydrophobicContact CH2-CD 4.38Å; W123-K126 HydrophobicContact CZ3-CD 3.87Å; W123-K126 PolarHBondContact O-N 3.49Å; E124-K126 PolarHBondContact O-N 2.68Å; K126-N129 PolarHBondContact O-N 2.99Å; K126-C130 PolarHBondContact O-N 2.74Å; K126-C130 PolarHBondContact O-SG 3.22Å; K126-L142 HydrophobicContact CB-CD2 4.12Å
127	I	87	Confident	86.2	Confident	17 Å²	17	85.3 Å²	85.3	9%	0.087	41%	0.412	C	S	.	.	H	α-helix	trans	-67	-40.5	177.1	-67.7	161.6	0	0	0	110	W123 E124 E125 N129 C130 R131 L142 L152 L153 A156	W123-I127 WeakPolarHBondContact O-CB 3.5Å; W123-I127 WeakPolarHBondContact O-CD1 3.33Å; W123-I127 WeakPolarHBondContact O-CG1 3.42Å; W123-I127 PolarHBondContact O-N 2.99Å; E124-I127 PolarHBondContact O-N 3.43Å; E125-I127 PolarHBondContact O-N 2.79Å; I127-N129 VanDerWaalsContact C-N 3.27Å; I127-N129 PolarHBondContact O-N 3.23Å; I127-C130 CarbonylContact O-C 3.54Å; I127-C130 WeakPolarHBondContact O-CA 3.35Å; I127-C130 PolarHBondContact O-N 2.94Å; I127-R131 PolarHBondContact O-N 3.01Å; I127-L142 HydrophobicContact CG1-CD1 4.44Å; I127-L152 HydrophobicContact CD1-CD2 4.16Å; I127-L152 HydrophobicContact CD1-CG 4Å; I127-L152 HydrophobicContact CG1-CD2 4.3Å; I127-L153 HydrophobicContact CD1-CD2 4.28Å; I127-L153 HydrophobicContact CG2-CD2 3.94Å; I127-A156 HydrophobicContact CD1-CB 3.34Å
128	N	86.8	Confident	86.1	Confident	59 Å²	59	80.9 Å²	80.9	32%	0.316	39%	0.39	S	S	.	.	H	α-helix	trans	-59.5	-39.4	176.5	-68.6	-13.8	0	0	0	111.7	E124 E125 C130 R131	E124-N128 WeakPolarHBondContact O-CB 3.48Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 2.98Å; E124-N128 PolarHBondContact O-OD1 3.4Å; E125-N128 WeakPolarHBondContact O-CB 3.1Å; E125-N128 PolarHBondContact O-N 3.33Å; N128-C130 PolarHBondContact O-N 3.11Å; N128-R131 WeakPolarHBondContact O-CB 3.47Å; N128-R131 PolarHBondContact O-N 2.85Å; N128-R131 PolarHBondContact OD1-NE 3.47Å; N128-R131 PolarHBondContact OD1-NH2 2.85Å
129	N	87.3	Confident	86.2	Confident	125 Å²	125	79.5 Å²	79.5	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-66.4	-19.3	174.3	-66.9	-24.6	0	0	0	113.7	E125 K126 I127	E125-N129 PolarHBondContact O-N 2.74Å; E125-N129 PolarHBondContact O-ND2 2.95Å; K126-N129 PolarHBondContact O-N 2.99Å; I127-N129 VanDerWaalsContact C-N 3.27Å; I127-N129 PolarHBondContact O-N 3.23Å
130	C	85.7	Confident	86.2	Confident	6 Å²	6	86.5 Å²	86.5	4%	0.041	41%	0.411	C	S	.	.	H	α-helix	trans	-98	-3.3	177.6	-58.3	0	0	0	0	113.3	K126 I127 N128 T132 M133 A138	K126-C130 PolarHBondContact O-N 2.74Å; K126-C130 PolarHBondContact O-SG 3.22Å; I127-C130 CarbonylContact O-C 3.54Å; I127-C130 WeakPolarHBondContact O-CA 3.35Å; I127-C130 PolarHBondContact O-N 2.94Å; N128-C130 PolarHBondContact O-N 3.11Å; C130-T132 PolarHBondContact O-N 3.09Å; C130-T132 VanDerWaalsContact O-N 3.14Å; C130-M133 WeakPolarHBondContact O-CB 3.26Å; C130-M133 PolarHBondContact O-N 3.37Å; C130-A138 HydrophobicContact CB-CB 3.92Å
131	R	79.8	Confident	86.3	Confident	176 Å²	176	88.8 Å²	88.8	66%	0.664	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28	-172.3	-82.2	179	-175.5	-162.6	4.2	114.7	I127 N128 M133	I127-R131 PolarHBondContact O-N 3.01Å; N128-R131 WeakPolarHBondContact O-CB 3.47Å; N128-R131 PolarHBondContact O-N 2.85Å; N128-R131 PolarHBondContact OD1-NE 3.47Å; N128-R131 PolarHBondContact OD1-NH2 2.85Å; R131-M133 VanDerWaalsContact C-N 3.29Å
132	T	82.4	Confident	86.4	Confident	139 Å²	139	84.2 Å²	84.2	85%	0.853	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.5	178.6	54.7	0	0	0	0	113	C130	C130-T132 PolarHBondContact O-N 3.09Å; C130-T132 VanDerWaalsContact O-N 3.14Å
133	M	84.5	Confident	86.4	Confident	82 Å²	82	88 Å²	88	40%	0.404	42%	0.424	S	S	.	.	S	Bend	trans	-91.7	154	179	-54	-177.3	-178.6	0	0	110.5	C130 R131 N137 V141	C130-M133 WeakPolarHBondContact O-CB 3.26Å; C130-M133 PolarHBondContact O-N 3.37Å; R131-M133 VanDerWaalsContact C-N 3.29Å; M133-N137 HydrophobicContact CB-CB 4.14Å; M133-V141 HydrophobicContact SD-CG2 3.95Å
134	D	85.2	Confident	86.3	Confident	83 Å²	83	87.4 Å²	87.4	44%	0.444	42%	0.423	S	S	.	.			trans	-68.2	157.6	165.6	66.9	-52.6	0	0	0	110.9	R136 N137 A138	D134-R136 VanDerWaalsContact C-N 3.25Å; D134-R136 PolarHBondContact O-N 2.88Å; D134-R136 VanDerWaalsContact O-N 3.16Å; D134-N137 PolarHBondContact O-N 3.22Å; D134-N137 WeakPolarHBondContact OD1-CB 3.43Å; D134-N137 PolarHBondContact OD1-ND2 3.03Å; D134-A138 PolarHBondContact O-N 3.17Å
135	S	82	Confident	86.3	Confident	69 Å²	69	87.3 Å²	87.3	48%	0.483	43%	0.425	S	S	.	.	H	α-helix	trans	-56.7	-36.6	-173.7	62.9	0	0	0	0	113.4	A138 E139	S135-A138 PolarHBondContact O-N 2.88Å; S135-E139 WeakPolarHBondContact O-CB 3.46Å; S135-E139 VanDerWaalsContact O-CG 3.29Å; S135-E139 WeakPolarHBondContact O-CG 3.41Å; S135-E139 PolarHBondContact O-N 3.43Å
136	R	85.8	Confident	86	Confident	184 Å²	184	84 Å²	84	69%	0.694	42%	0.42	S	S	*	.	H	α-helix	trans	-67.6	-36.5	179	-69.4	-176.1	179	-179.9	0.9	112.5	D134 K140	D134-R136 VanDerWaalsContact C-N 3.25Å; D134-R136 PolarHBondContact O-N 2.88Å; D134-R136 VanDerWaalsContact O-N 3.16Å; R136-K140 WeakPolarHBondContact O-CG 3.38Å; R136-K140 PolarHBondContact O-N 3.49Å
137	N	88.3	Confident	85.7	Confident	75 Å²	75	82.2 Å²	82.2	40%	0.401	42%	0.424	S	S	.	.	H	α-helix	trans	-73.6	-38.4	175.1	-75.4	-25.4	0	0	0	111	M133 D134 E139 K140 V141	M133-N137 HydrophobicContact CB-CB 4.14Å; D134-N137 PolarHBondContact O-N 3.22Å; D134-N137 WeakPolarHBondContact OD1-CB 3.43Å; D134-N137 PolarHBondContact OD1-ND2 3.03Å; N137-E139 PolarHBondContact O-N 3.41Å; N137-K140 PolarHBondContact O-N 3.17Å; N137-V141 WeakPolarHBondContact O-CB 3.41Å; N137-V141 VanDerWaalsContact O-CG2 3.29Å; N137-V141 WeakPolarHBondContact O-CG2 3.41Å; N137-V141 PolarHBondContact O-N 2.97Å
138	A	84.8	Confident	85.6	Confident	1 Å²	1	84 Å²	84	1%	0.008	43%	0.432	C	S	.	.	H	α-helix	trans	-59.2	-46.1	172.6	0	0	0	0	0	112	C130 D134 S135 K140 V141 L142 Y149	C130-A138 HydrophobicContact CB-CB 3.92Å; D134-A138 PolarHBondContact O-N 3.17Å; S135-A138 PolarHBondContact O-N 2.88Å; A138-K140 VanDerWaalsContact C-N 3.35Å; A138-K140 PolarHBondContact O-N 3.03Å; A138-V141 PolarHBondContact O-N 3.24Å; A138-L142 WeakPolarHBondContact O-CB 3.49Å; A138-L142 VanDerWaalsContact O-CG 3.31Å; A138-L142 WeakPolarHBondContact O-CG 3.41Å; A138-L142 PolarHBondContact O-N 3.04Å; A138-Y149 HydrophobicContact CB-CE2 4.31Å
139	E	88	Confident	85.4	Confident	42 Å²	42	82.8 Å²	82.8	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-54.2	-47.9	173.8	-78.7	171.1	-141.7	0	0	111.8	S135 N137 K143 L144 Y149	S135-E139 WeakPolarHBondContact O-CB 3.46Å; S135-E139 VanDerWaalsContact O-CG 3.29Å; S135-E139 WeakPolarHBondContact O-CG 3.41Å; S135-E139 PolarHBondContact O-N 3.43Å; N137-E139 PolarHBondContact O-N 3.41Å; E139-K143 WeakPolarHBondContact O-CA 3.45Å; E139-K143 PolarHBondContact O-N 3.35Å; E139-L144 CarbonylContact C-O 3.53Å; E139-L144 WeakPolarHBondContact CB-O 3.36Å; E139-L144 PolarHBondContact O-N 2.71Å; E139-Y149 HydrophobicContact CG-CD1 3.94Å; E139-Y149 HydrophobicContact CG-CG 3.92Å
140	K	88.6	Confident	85.2	Confident	157 Å²	157	83.8 Å²	83.8	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-65.1	-44.3	178.3	-73.6	175.7	-178.4	178.2	0	113.1	R136 N137 A138 L142 K143	R136-K140 WeakPolarHBondContact O-CG 3.38Å; R136-K140 PolarHBondContact O-N 3.49Å; N137-K140 PolarHBondContact O-N 3.17Å; A138-K140 VanDerWaalsContact C-N 3.35Å; A138-K140 PolarHBondContact O-N 3.03Å; K140-L142 VanDerWaalsContact C-N 3.35Å; K140-K143 PolarHBondContact O-N 2.75Å
141	V	88.1	Confident	85	Confident	85 Å²	85	87.6 Å²	87.6	52%	0.515	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-41.8	-179.4	169.2	0	0	0	0	110.7	M133 N137 A138 K143	M133-V141 HydrophobicContact SD-CG2 3.95Å; N137-V141 WeakPolarHBondContact O-CB 3.41Å; N137-V141 VanDerWaalsContact O-CG2 3.29Å; N137-V141 WeakPolarHBondContact O-CG2 3.41Å; N137-V141 PolarHBondContact O-N 2.97Å; A138-V141 PolarHBondContact O-N 3.24Å; V141-K143 PolarHBondContact O-N 2.85Å
142	L	87.8	Confident	85.2	Confident	21 Å²	21	79.2 Å²	79.2	11%	0.11	41%	0.407	C	S	.	.	H	α-helix	trans	-80.4	-5.9	177.5	-59.5	-179.8	0	0	0	113	W123 K126 I127 A138 K140 L144 Y149 L152	W123-L142 HydrophobicContact CZ3-CD2 4.09Å; K126-L142 HydrophobicContact CB-CD2 4.12Å; I127-L142 HydrophobicContact CG1-CD1 4.44Å; A138-L142 WeakPolarHBondContact O-CB 3.49Å; A138-L142 VanDerWaalsContact O-CG 3.31Å; A138-L142 WeakPolarHBondContact O-CG 3.41Å; A138-L142 PolarHBondContact O-N 3.04Å; K140-L142 VanDerWaalsContact C-N 3.35Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 HydrophobicContact CB-CD1 4.09Å; L142-L144 HydrophobicContact CB-CG 4.1Å; L142-L144 PolarHBondContact O-N 2.96Å; L142-Y149 HydrophobicContact CD1-CD2 3.95Å; L142-Y149 HydrophobicContact CD1-CE2 3.7Å; L142-L152 HydrophobicContact CD1-CD2 4.1Å
143	K	88.8	Confident	85.2	Confident	187 Å²	187	75.8 Å²	75.8	81%	0.813	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	39.6	-176.4	-56.3	179.1	179.5	178.2	0	112.8	E139 K140 V141	E139-K143 WeakPolarHBondContact O-CA 3.45Å; E139-K143 PolarHBondContact O-N 3.35Å; K140-K143 PolarHBondContact O-N 2.75Å; V141-K143 PolarHBondContact O-N 2.85Å
144	L	86.9	Confident	85	Confident	13 Å²	13	76.8 Å²	76.8	7%	0.068	39%	0.39	C	S	.	.			trans	-115.7	146.4	179.8	-61.3	178.8	0	0	0	110	P73 E139 L142 Q148 L152	P73-L144 HydrophobicContact CB-CD2 4.02Å; P73-L144 HydrophobicContact CG-CD2 3.49Å; P73-L144 VanDerWaalsContact CG-CD2 3.49Å; E139-L144 CarbonylContact C-O 3.53Å; E139-L144 WeakPolarHBondContact CB-O 3.36Å; E139-L144 PolarHBondContact O-N 2.71Å; L142-L144 VanDerWaalsContact C-N 3.27Å; L142-L144 HydrophobicContact CB-CD1 4.09Å; L142-L144 HydrophobicContact CB-CG 4.1Å; L142-L144 PolarHBondContact O-N 2.96Å; L144-Q148 HydrophobicContact CB-CB 4.05Å; L144-Q148 HydrophobicContact CD2-CB 4.1Å; L144-Q148 HydrophobicContact CG-CB 4.49Å; L144-L152 HydrophobicContact CD1-CB 4.18Å; L144-L152 HydrophobicContact CD1-CD2 3.46Å; L144-L152 VanDerWaalsContact CD1-CD2 3.46Å; L144-L152 HydrophobicContact CD1-CG 4.42Å
145	N	87.1	Confident	84.7	Confident	84 Å²	84	73.2 Å²	73.2	45%	0.449	37%	0.37	S	S	.	.			trans	-77.7	168.3	165	69.8	37.7	0	0	0	110.7	A147 Q148 Y149	N145-A147 VanDerWaalsContact C-N 3.27Å; N145-A147 PolarHBondContact O-N 2.95Å; N145-A147 PolarHBondContact OD1-N 3.44Å; N145-A147 VanDerWaalsContact OD1-N 3.09Å; N145-Q148 PolarHBondContact ND2-OE1 3.26Å; N145-Q148 PolarHBondContact O-N 3.18Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.42Å; N145-Q148 VanDerWaalsContact OD1-CG 3.3Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.43Å; N145-Q148 PolarHBondContact OD1-N 3.43Å; N145-Y149 WeakPolarHBondContact O-CB 3.24Å; N145-Y149 PolarHBondContact O-N 2.87Å
146	A	82.1	Confident	84.7	Confident	59 Å²	59	70.2 Å²	70.2	49%	0.488	35%	0.349	S	S	.	.	H	α-helix	trans	-56.2	-36.1	-178	0	0	0	0	0	114.3	K150	A146-K150 WeakPolarHBondContact O-CB 3.18Å; A146-K150 PolarHBondContact O-N 3.33Å; A146-K150 VanDerWaalsContact O-N 3.08Å
147	A	82.4	Confident	84.1	Confident	62 Å²	62	65.5 Å²	65.5	51%	0.512	35%	0.345	S	S	.	.	H	α-helix	trans	-69.5	-47.7	179	0	0	0	0	0	111.3	N145 Y149 K150 E151	N145-A147 VanDerWaalsContact C-N 3.27Å; N145-A147 PolarHBondContact O-N 2.95Å; N145-A147 PolarHBondContact OD1-N 3.44Å; N145-A147 VanDerWaalsContact OD1-N 3.09Å; A147-Y149 VanDerWaalsContact C-N 3.35Å; A147-Y149 PolarHBondContact O-N 3.48Å; A147-K150 PolarHBondContact O-N 2.84Å; A147-E151 PolarHBondContact O-N 3.34Å
148	Q	84.3	Confident	82.9	Confident	56 Å²	56	62.2 Å²	62.2	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-41.1	176.4	-70	167.8	-26.2	0	0	111.6	P73 W74 L144 N145 K150 E151 L152	P73-Q148 HydrophobicContact CG-CB 4.14Å; P73-Q148 HydrophobicContact CG-CG 3.89Å; W74-Q148 HydrophobicContact CZ3-CB 4.04Å; W74-Q148 WeakPolarHBondContact CZ3-O 3.37Å; L144-Q148 HydrophobicContact CB-CB 4.05Å; L144-Q148 HydrophobicContact CD2-CB 4.1Å; L144-Q148 HydrophobicContact CG-CB 4.49Å; N145-Q148 PolarHBondContact ND2-OE1 3.26Å; N145-Q148 PolarHBondContact O-N 3.18Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.42Å; N145-Q148 VanDerWaalsContact OD1-CG 3.3Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.43Å; N145-Q148 PolarHBondContact OD1-N 3.43Å; Q148-K150 VanDerWaalsContact C-N 3.34Å; Q148-K150 PolarHBondContact O-N 2.79Å; Q148-E151 PolarHBondContact O-N 3.42Å; Q148-L152 WeakPolarHBondContact O-CB 3.48Å; Q148-L152 PolarHBondContact O-N 3.15Å
149	Y	83.9	Confident	80.9	Confident	32 Å²	32	69.4 Å²	69.4	13%	0.125	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-41.2	177.2	-178.3	-117.3	0	0	0	111.7	A138 E139 L142 N145 A147 L152 L153	A138-Y149 HydrophobicContact CB-CE2 4.31Å; E139-Y149 HydrophobicContact CG-CD1 3.94Å; E139-Y149 HydrophobicContact CG-CG 3.92Å; L142-Y149 HydrophobicContact CD1-CD2 3.95Å; L142-Y149 HydrophobicContact CD1-CE2 3.7Å; N145-Y149 WeakPolarHBondContact O-CB 3.24Å; N145-Y149 PolarHBondContact O-N 2.87Å; A147-Y149 VanDerWaalsContact C-N 3.35Å; A147-Y149 PolarHBondContact O-N 3.48Å; Y149-L152 PolarHBondContact O-N 2.9Å; Y149-L153 HydrophobicContact CD1-CD1 4.05Å; Y149-L153 HydrophobicContact CE1-CD1 3.6Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 HydrophobicContact CE2-CD1 4.48Å; Y149-L153 HydrophobicContact CE2-CD2 4.37Å; Y149-L153 HydrophobicContact CE2-CG 4.26Å; Y149-L153 WeakPolarHBondContact O-CG 3.47Å; Y149-L153 PolarHBondContact O-N 2.93Å
150	K	83.1	Confident	78.3	Confident	147 Å²	147	73.7 Å²	73.7	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-62.8	-43.7	175	-173.4	-179.1	-179.8	-178	0	112.2	A146 A147 Q148 L153 L154	A146-K150 WeakPolarHBondContact O-CB 3.18Å; A146-K150 PolarHBondContact O-N 3.33Å; A146-K150 VanDerWaalsContact O-N 3.08Å; A147-K150 PolarHBondContact O-N 2.84Å; Q148-K150 VanDerWaalsContact C-N 3.34Å; Q148-K150 PolarHBondContact O-N 2.79Å; K150-L153 PolarHBondContact O-N 3.48Å; K150-L154 HydrophobicContact CG-CD1 4.47Å; K150-L154 PolarHBondContact O-N 2.84Å; K150-L154 VanDerWaalsContact O-N 3.1Å
151	E	81.9	Confident	75.8	Confident	86 Å²	86	69.9 Å²	69.9	40%	0.402	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-39.1	175.9	-74.4	-175.8	-165.5	0	0	112.1	W74 A147 Q148 L154 F155	W74-E151 HydrophobicContact CH2-CB 3.18Å; W74-E151 HydrophobicContact CH2-CG 4.26Å; W74-E151 WeakPolarHBondContact CH2-OE2 3.24Å; W74-E151 HydrophobicContact CZ2-CB 3.74Å; W74-E151 HydrophobicContact CZ3-CB 4.01Å; A147-E151 PolarHBondContact O-N 3.34Å; Q148-E151 PolarHBondContact O-N 3.42Å; E151-L154 WeakPolarHBondContact O-CB 3.29Å; E151-L154 PolarHBondContact O-N 3.48Å; E151-F155 WeakPolarHBondContact O-CB 3.15Å; E151-F155 PolarHBondContact O-N 3.2Å
152	L	83	Confident	73	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-45.1	173.6	176.6	64.3	0	0	0	111.5	W74 W123 I127 L142 L144 Q148 Y149 L154 F155 A156	W74-L152 HydrophobicContact CB-CD1 3.81Å; W74-L152 HydrophobicContact CD2-CB 4.19Å; W74-L152 HydrophobicContact CD2-CD1 3.92Å; W74-L152 HydrophobicContact CE3-CB 3.83Å; W74-L152 HydrophobicContact CE3-CD1 4.26Å; W74-L152 HydrophobicContact CG-CD1 3.72Å; W74-L152 HydrophobicContact CZ3-CB 4.17Å; W123-L152 HydrophobicContact CB-CD1 3.88Å; W123-L152 HydrophobicContact CD2-CD1 3.68Å; W123-L152 HydrophobicContact CD2-CD2 4.12Å; W123-L152 HydrophobicContact CE3-CD1 3.86Å; W123-L152 HydrophobicContact CE3-CD2 3.4Å; W123-L152 HydrophobicContact CE3-CG 4.24Å; W123-L152 HydrophobicContact CG-CD1 3.68Å; W123-L152 HydrophobicContact CH2-CD2 4.44Å; W123-L152 HydrophobicContact CZ3-CD2 3.57Å; I127-L152 HydrophobicContact CD1-CD2 4.16Å; I127-L152 HydrophobicContact CD1-CG 4Å; I127-L152 HydrophobicContact CG1-CD2 4.3Å; L142-L152 HydrophobicContact CD1-CD2 4.1Å; L144-L152 HydrophobicContact CD1-CB 4.18Å; L144-L152 HydrophobicContact CD1-CD2 3.46Å; L144-L152 VanDerWaalsContact CD1-CD2 3.46Å; L144-L152 HydrophobicContact CD1-CG 4.42Å; Q148-L152 WeakPolarHBondContact O-CB 3.48Å; Q148-L152 PolarHBondContact O-N 3.15Å; Y149-L152 PolarHBondContact O-N 2.9Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 PolarHBondContact O-N 3.02Å; L152-F155 HydrophobicContact CD1-CD1 4.27Å; L152-F155 PolarHBondContact O-N 3.1Å; L152-F155 VanDerWaalsContact O-N 3.15Å; L152-A156 VanDerWaalsContact O-CB 3.26Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 3.39Å
153	L	83.5	Confident	70.3	Confident	66 Å²	66	78.4 Å²	78.4	35%	0.346	40%	0.4	S	S	.	.	H	α-helix	trans	-60.2	-40.7	176.5	-73.3	172.5	0	0	0	111.5	I127 Y149 K150 A156 S157	I127-L153 HydrophobicContact CD1-CD2 4.28Å; I127-L153 HydrophobicContact CG2-CD2 3.94Å; Y149-L153 HydrophobicContact CD1-CD1 4.05Å; Y149-L153 HydrophobicContact CE1-CD1 3.6Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 HydrophobicContact CE2-CD1 4.48Å; Y149-L153 HydrophobicContact CE2-CD2 4.37Å; Y149-L153 HydrophobicContact CE2-CG 4.26Å; Y149-L153 WeakPolarHBondContact O-CG 3.47Å; Y149-L153 PolarHBondContact O-N 2.93Å; K150-L153 PolarHBondContact O-N 3.48Å; L153-A156 PolarHBondContact O-N 3.13Å; L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 3.08Å
154	L	80.2	Confident	67.4	Low	104 Å²	104	76.1 Å²	76.1	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-42.3	173.2	-80	155.9	0	0	0	112	K150 E151 L152 S157	K150-L154 HydrophobicContact CG-CD1 4.47Å; K150-L154 PolarHBondContact O-N 2.84Å; K150-L154 VanDerWaalsContact O-N 3.1Å; E151-L154 WeakPolarHBondContact O-CB 3.29Å; E151-L154 PolarHBondContact O-N 3.48Å; L152-L154 VanDerWaalsContact C-N 3.3Å; L152-L154 PolarHBondContact O-N 3.02Å; L154-S157 PolarHBondContact O-OG 3.23Å; L154-S157 VanDerWaalsContact O-OG 3.12Å
155	F	78.9	Confident	64.6	Low	7 Å²	7	84 Å²	84	3%	0.031	43%	0.429	C	S	.	.	H	α-helix	trans	-66.1	-42.6	177.3	173.1	-110.5	0	0	0	112.7	N68 W74 L116 L119 R120 E151 L152 G158	N68-F155 WeakPolarHBondContact ND2-CD2 3.39Å; W74-F155 AromaticContact CD1-CD1 3.67Å; W74-F155 AromaticContact CD1-CE1 3.91Å; W74-F155 AromaticContact NE1-CD1 3.72Å; W74-F155 AromaticContact NE1-CG 3.76Å; L116-F155 HydrophobicContact CD2-CE2 4.16Å; L116-F155 HydrophobicContact CD2-CZ 4.25Å; L119-F155 HydrophobicContact CB-CE1 4.4Å; L119-F155 HydrophobicContact CB-CZ 4.31Å; R120-F155 HydrophobicContact CB-CE1 4.17Å; R120-F155 HydrophobicContact CB-CZ 4.12Å; R120-F155 PolarHBondContact NE-O 3.44Å; R120-F155 PolarHBondContact NH2-O 2.68Å; E151-F155 WeakPolarHBondContact O-CB 3.15Å; E151-F155 PolarHBondContact O-N 3.2Å; L152-F155 HydrophobicContact CD1-CD1 4.27Å; L152-F155 PolarHBondContact O-N 3.1Å; L152-F155 VanDerWaalsContact O-N 3.15Å; F155-G158 PolarHBondContact O-N 3.36Å
156	A	80.3	Confident	61.7	Low	6 Å²	6	84.8 Å²	84.8	5%	0.05	43%	0.433	C	S	.	.	H	α-helix	trans	-80.5	-40.8	-174.1	0	0	0	0	0	113.6	I127 L152 L153 G158	I127-A156 HydrophobicContact CD1-CB 3.34Å; L152-A156 VanDerWaalsContact O-CB 3.26Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 3.39Å; L153-A156 PolarHBondContact O-N 3.13Å; A156-G158 PolarHBondContact O-N 3.48Å
157	S	74.7	Confident	59.2	Low	85 Å²	85	89.2 Å²	89.2	59%	0.594	45%	0.448	S	S	*	.	S	Bend	trans	-56.7	-14.7	170.4	58.9	0	0	0	0	112.8	L153 L154 H159	L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 3.08Å; L154-S157 PolarHBondContact O-OG 3.23Å; L154-S157 VanDerWaalsContact O-OG 3.12Å; S157-H159 PolarHBondContact O-N 3.35Å
158	G	62	Low	56.3	Low	7 Å²	7	92.3 Å²	92.3	7%	0.072	46%	0.456	C	S	.	.			trans	69.7	11.9	164.8	0	0	0	0	0	114.2	R120 F155 A156 E160	R120-G158 PolarHBondContact NH1-O 2.92Å; R120-G158 VanDerWaalsContact NH1-O 3.13Å; F155-G158 PolarHBondContact O-N 3.36Å; A156-G158 PolarHBondContact O-N 3.48Å; G158-E160 VanDerWaalsContact O-CA 3.24Å; G158-E160 WeakPolarHBondContact O-CA 3.44Å; G158-E160 WeakPolarHBondContact O-CG 3.37Å; G158-E160 PolarHBondContact O-N 3.04Å
159	H	43.2	Very low	53.7	Low	152 Å²	152	94.3 Å²	94.3	70%	0.704	47%	0.474	S	S	*	.			trans	-31.7	91.4	-165.7	-146.5	-19.7	0	0	0	109.3	S157 Q161	S157-H159 PolarHBondContact O-N 3.35Å; H159-Q161 PolarHBondContact O-N 3.28Å
160	E	34.5	Very low	51.4	Low	131 Å²	131	98.7 Å²	98.7	61%	0.612	51%	0.506	S	S	*	.			trans	-68.6	109.4	-170.8	-66.4	-175.4	151.2	0	0	103.6	G158 Q162	G158-E160 VanDerWaalsContact O-CA 3.24Å; G158-E160 WeakPolarHBondContact O-CA 3.44Å; G158-E160 WeakPolarHBondContact O-CG 3.37Å; G158-E160 PolarHBondContact O-N 3.04Å; E160-Q162 HydrophobicContact CB-CG 3.8Å; E160-Q162 PolarHBondContact O-N 2.75Å; E160-Q162 WeakPolarHBondContact OE2-CG 3.29Å; E160-Q162 PolarHBondContact OE2-NE2 3.48Å
161	Q	35.5	Very low	48.8	Very low	78 Å²	78	101.8 Å²	101.8	36%	0.364	52%	0.516	S	S	.	.			trans	-69.1	82.7	144.6	-80.6	157.4	61.3	0	0	105.2	D62 H159 H163	D62-Q161 PolarHBondContact OD2-OE1 3.26Å; H159-Q161 PolarHBondContact O-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.06Å
162	Q	29.3	Very low	46.2	Very low	140 Å²	140	102.9 Å²	102.9	65%	0.654	53%	0.531	S	S	*	.			trans	-57.3	71.9	146.2	-64.4	-177.1	-4.9	0	0	106.7	E160 Q164	E160-Q162 HydrophobicContact CB-CG 3.8Å; E160-Q162 PolarHBondContact O-N 2.75Å; E160-Q162 WeakPolarHBondContact OE2-CG 3.29Å; E160-Q162 PolarHBondContact OE2-NE2 3.48Å; Q162-Q164 PolarHBondContact O-N 3.24Å
163	H	31.1	Very low	43.5	Very low	145 Å²	145	108.2 Å²	108.2	67%	0.671	57%	0.569	S	S	*	*			trans	-67.1	92.2	139.5	-88.4	-64.8	0	0	0	103.6	Q161 Q165	Q161-H163 PolarHBondContact O-N 3.06Å; H163-Q165 PolarHBondContact O-N 3.26Å
164	Q	27.6	Very low	40.8	Very low	138 Å²	138	113 Å²	113	65%	0.645	59%	0.591	S	S	*	*			trans	-30.1	118	159	-81.7	162.6	-6.7	0	0	107.6	Q162 N166	Q162-Q164 PolarHBondContact O-N 3.24Å; Q164-N166 HydrophobicContact CB-CB 4.13Å; Q164-N166 PolarHBondContact O-N 3.47Å; Q164-N166 PolarHBondContact OE1-ND2 3.47Å; Q164-N166 VanDerWaalsContact OE1-ND2 3.11Å
165	Q	28.6	Very low	38.4	Very low	179 Å²	179	113.4 Å²	113.4	84%	0.836	60%	0.6	S	S	*	*			trans	-60.7	56.2	148.9	-68.6	178.8	-13.4	0	0	108.9	H163 N167	H163-Q165 PolarHBondContact O-N 3.26Å; Q165-N167 PolarHBondContact O-N 3.2Å
166	N	26.4	Very low	36.1	Very low	100 Å²	100	117.2 Å²	117.2	54%	0.535	63%	0.633	S	S	.	*			trans	-83.6	86.6	155.3	-81.8	-25.7	0	0	0	103.8	Q164 D168	Q164-N166 HydrophobicContact CB-CB 4.13Å; Q164-N166 PolarHBondContact O-N 3.47Å; Q164-N166 PolarHBondContact OE1-ND2 3.47Å; Q164-N166 VanDerWaalsContact OE1-ND2 3.11Å; N166-D168 PolarHBondContact O-N 2.88Å
167	N	28	Very low	33.7	Very low	153 Å²	153	123 Å²	123	82%	0.818	67%	0.673	S	S	*	*			trans	-65.4	15.4	162.7	-82.9	-46.8	0	0	0	112.2	Q165	Q165-N167 PolarHBondContact O-N 3.2Å
168	D	22.7	Very low	31.5	Very low	127 Å²	127	124 Å²	124	68%	0.679	68%	0.68	S	S	*	*	S	Bend	trans	-88.7	123.9	171.8	-70.5	-34.6	0	0	0	108.7	N166	N166-D168 PolarHBondContact O-N 2.88Å
169	P	30.1	Very low	29.9	Very low	97 Å²	97	129.2 Å²	129.2	63%	0.63	72%	0.716	S	S	*	*			trans	-53.9	145.1	176.1	22.9	-31.7	0	0	0	108.8	Y171	P169-Y171 VanDerWaalsContact C-N 3.33Å; P169-Y171 PolarHBondContact O-N 2.83Å
170	P	35.6	Very low	29.4	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	72%	0.719	S	S	*	*			trans	-58.2	101.7	-177.1	24.9	-32.6	0	0	0	107.7	C172	P170-C172 VanDerWaalsContact C-N 3.27Å; P170-C172 PolarHBondContact O-N 2.93Å
171	Y	28.2	Very low	29	Very low	213 Å²	213	128.4 Å²	128.4	84%	0.835	73%	0.729	S	S	*	*			trans	-62.9	104	167.5	-128.4	-92.7	0	0	0	103.4	P169 S173	P169-Y171 VanDerWaalsContact C-N 3.33Å; P169-Y171 PolarHBondContact O-N 2.83Å; Y171-S173 PolarHBondContact O-N 3.13Å
172	C	26.4	Very low	28.6	Very low	108 Å²	108	133.8 Å²	133.8	73%	0.73	75%	0.752	S	S	*	*			trans	-46.6	99.8	164.1	-72.4	0	0	0	0	105.6	P170 M174	P170-C172 VanDerWaalsContact C-N 3.27Å; P170-C172 PolarHBondContact O-N 2.93Å; C172-M174 PolarHBondContact O-N 2.94Å
173	S	27.4	Very low	28.5	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	77%	0.765	S	S	*	*			trans	-68.7	88.7	167	-66.3	0	0	0	0	103.2	Y171 P175	Y171-S173 PolarHBondContact O-N 3.13Å; S173-P175 WeakPolarHBondContact O-CD 3.49Å
174	M	25.7	Very low	28.5	Very low	166 Å²	166	137.3 Å²	137.3	82%	0.818	77%	0.77	S	S	*	*			trans	-41.7	115.7	165.9	-91.4	-84.5	164.4	0	0	105.6	C172 A176	C172-M174 PolarHBondContact O-N 2.94Å; M174-A176 PolarHBondContact O-N 2.68Å
175	P	29.4	Very low	28.6	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	78%	0.78	S	S	*	*			trans	-58	115	179	19.6	-28.3	0	0	0	106.7	S173 S177	S173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-S177 PolarHBondContact O-N 2.87Å
176	A	32.3	Very low	28.9	Very low	86 Å²	86	139.2 Å²	139.2	71%	0.711	78%	0.778	S	S	*	*			trans	-50.3	118.6	177.7	0	0	0	0	0	107.2	M174 S178	M174-A176 PolarHBondContact O-N 2.68Å; A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.97Å
177	S	28.5	Very low	29.3	Very low	128 Å²	128	142.5 Å²	142.5	90%	0.895	80%	0.796	S	S	*	*			trans	-54.7	98.3	179.9	-53.9	0	0	0	0	109.1	P175	P175-S177 PolarHBondContact O-N 2.87Å
178	S	29.3	Very low	29.3	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	80%	0.798	S	S	*	*			trans	-121.6	99.6	170.1	-64.5	0	0	0	0	106.9	A176 S180	A176-S178 VanDerWaalsContact C-N 3.34Å; A176-S178 PolarHBondContact O-N 2.97Å; S178-S180 PolarHBondContact O-N 3.11Å
179	S	27.5	Very low	29.9	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	80%	0.798	S	S	*	*			trans	-48.6	119.9	163	53.6	0	0	0	0	110.9
180	S	33.3	Very low	30.5	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	80%	0.798	S	S	*	*			trans	172.5	113.9	131.2	50.8	0	0	0	0	110.6	S178	S178-S180 PolarHBondContact O-N 3.11Å
181	N	26.2	Very low	30.5	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	80%	0.798	S	S	*	*			trans	30.3	122.8	133.7	-86.2	-17	0	0	0	120.1
182	K	27	Very low	31	Very low	192 Å²	192	147.6 Å²	147.6	84%	0.835	80%	0.797	S	S	*	*			trans	106.6	101.1	146.2	-65	172.9	-179.4	-179.8	0	117.3
183	R	27.7	Very low	31.4	Very low	246 Å²	246	150.1 Å²	150.1	93%	0.928	80%	0.803	S	S	*	*				63.8	92.6	116.6	-156.6	-177.1	-160.8	-167	5.1	116.5
184	S	30.2	Very low	31.6	Very low	112 Å²	112	151.9 Å²	151.9	78%	0.783	80%	0.803	S	S	*	*				170.9	94.7	116.4	-167.8	0	0	0	0	108.8
185	Q	30	Very low	31.8	Very low	182 Å²	182	154.9 Å²	154.9	85%	0.85	81%	0.806	S	S	*	*			trans	-85.7	115.3	157.5	-70.5	-162.4	-8.4	0	0	106.8
186	H	34.2	Very low	32	Very low	175 Å²	175	155.7 Å²	155.7	81%	0.81	80%	0.804	S	S	*	*			trans	-167.3	70.3	144	-77.7	-50	0	0	0	107.2	Y188	H186-Y188 PolarHBondContact O-N 2.7Å; H186-Y188 VanDerWaalsContact O-N 3.13Å
187	N	35	Very low	32	Very low	169 Å²	169	159 Å²	159	90%	0.904	80%	0.804	S	S	*	*			trans	-75.2	102.6	164.2	-94.2	-1	0	0	0	107.7	H189	N187-H189 PolarHBondContact O-N 2.92Å
188	Y	28.8	Very low	32	Very low	222 Å²	222	160.5 Å²	160.5	87%	0.871	80%	0.797	S	S	*	*			trans	-40.5	120.6	170.1	-120.6	-104.4	0	0	0	111.5	H186	H186-Y188 PolarHBondContact O-N 2.7Å; H186-Y188 VanDerWaalsContact O-N 3.13Å
189	H	35.3	Very low	32.2	Very low	143 Å²	143	166.2 Å²	166.2	66%	0.662	80%	0.803	S	S	*	*			trans	-101.6	125	165.5	-134.6	-79.7	0	0	0	107.7	N187 Y191 D192	N187-H189 PolarHBondContact O-N 2.92Å; H189-Y191 PolarHBondContact O-N 3.49Å; H189-D192 PolarHBondContact O-N 2.87Å
190	P	42.1	Very low	32.2	Very low	98 Å²	98	167.8 Å²	167.8	64%	0.636	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	14.8	-165.6	27.9	-34.2	0	0	0	115.6
191	Y	36.9	Very low	32	Very low	204 Å²	204	169.2 Å²	169.2	80%	0.8	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	13.5	-179.7	-64	-73.7	0	0	0	114.2	H189 L193	H189-Y191 PolarHBondContact O-N 3.49Å; Y191-L193 PolarHBondContact O-N 2.74Å
192	D	37.8	Very low	32.4	Very low	154 Å²	154	169.5 Å²	169.5	82%	0.824	79%	0.788	S	S	*	*			trans	-78	66.9	167.9	-108.5	-25	0	0	0	110.8	H189	H189-D192 PolarHBondContact O-N 2.87Å
193	L	34.3	Very low	32.5	Very low	161 Å²	161	170.9 Å²	170.9	84%	0.843	79%	0.788	S	S	*	*			trans	-142.4	59.8	176.8	-99.2	145.2	0	0	0	110.2	Y191	Y191-L193 PolarHBondContact O-N 2.74Å
194	N	32.7	Very low	32.9	Very low	150 Å²	150	167.3 Å²	167.3	80%	0.802	78%	0.781	S	S	*	*			trans	-170.3	91.5	132	-133	-21.8	0	0	0	111.9
195	R	29.9	Very low	33.1	Very low	229 Å²	229	172.7 Å²	172.7	86%	0.864	79%	0.785	S	S	*	*			trans	-69.7	128.1	151.3	-84	176.8	168.5	-173	-3.3	107.9
196	N	31.9	Very low	33.1	Very low	130 Å²	130	171.4 Å²	171.4	70%	0.695	78%	0.778	S	S	*	*			trans	143.5	120.9	155.4	-77.3	-28	0	0	0	108
197	H	32.8	Very low	33.2	Very low	157 Å²	157	170.8 Å²	170.8	73%	0.727	78%	0.775	S	S	*	*			cis	-155.3	131.9	23.4	-75.9	-36	0	0	0	109.2
198	H	30	Very low	32.8	Very low	159 Å²	159	170.4 Å²	170.4	74%	0.736	77%	0.768	S	S	*	*				44	111.1	108	-71.4	79.4	0	0	0	118.1
199	Y	32.6	Very low	32.9	Very low	227 Å²	227	170.9 Å²	170.9	89%	0.89	77%	0.77	S	S	*	*				170.9	94.6	129.8	-90.2	-68.7	0	0	0	107.8
200	H	28.3	Very low	32.4	Very low	148 Å²	148	171.7 Å²	171.7	69%	0.685	77%	0.774	S	S	*	*				46.9	120.9	91.1	-95.7	-67.4	0	0	0	117.1
201	H	29.2	Very low	31.7	Very low	143 Å²	143	173.9 Å²	173.9	66%	0.662	78%	0.78	S	S	*	*			trans	72.6	106.6	151.6	-69.5	-69.2	0	0	0	120.2
202	H	33.3	Very low	31.4	Very low	159 Å²	159	169.5 Å²	169.5	74%	0.736	78%	0.779	S	S	*	*				166.1	137	87.2	-100.8	-54.1	0	0	0	114.2
203	R	30.3	Very low	31.1	Very low	221 Å²	221	169.3 Å²	169.3	83%	0.834	78%	0.777	S	S	*	*			trans	74.4	102.4	144.5	-73.2	-170.5	175.2	-166.4	-0.3	121.3
204	Q	35.2	Very low	30.8	Very low	170 Å²	170	170.1 Å²	170.1	79%	0.794	78%	0.783	S	S	*	*				2.3	119.4	122.8	-64.5	175.8	-10	0	0	116.7
205	R	34.8	Very low	30.7	Very low	225 Å²	225	169.7 Å²	169.7	85%	0.849	78%	0.779	S	S	*	*			trans	-133.5	113.4	142	-82.9	-165.4	176.5	-169.8	0.9	109.2
206	H	30.4	Very low	30.5	Very low	155 Å²	155	163.4 Å²	163.4	72%	0.718	77%	0.768	S	S	*	*			trans	-63	126.3	162.7	-72.5	-85.1	0	0	0	109.4
207	H	35	Very low	30.8	Very low	162 Å²	162	169.1 Å²	169.1	75%	0.75	78%	0.78	S	S	*	*			trans	-125.6	103.4	152.5	-78.6	-49.7	0	0	0	108.5
208	H	26.6	Very low	30.7	Very low	162 Å²	162	167.6 Å²	167.6	75%	0.75	78%	0.782	S	S	*	*			trans	-60.4	126.3	155.2	-91.5	24.4	0	0	0	108.6
209	Y	31.3	Very low	30.6	Very low	232 Å²	232	168.6 Å²	168.6	91%	0.91	79%	0.789	S	S	*	*			trans	-130.6	121	144.4	-109.9	-89.6	0	0	0	107.8
210	Q	25.1	Very low	30.5	Very low	159 Å²	159	165 Å²	165	74%	0.743	78%	0.782	S	S	*	*			trans	-77.1	162.2	171.4	-80.8	176.2	-56.5	0	0	110.5
211	D	28.2	Very low	30.5	Very low	145 Å²	145	167.8 Å²	167.8	78%	0.775	79%	0.792	S	S	*	*			trans	73.4	95	161.8	-59.3	-23	0	0	0	117.6
212	S	29.5	Very low	30.6	Very low	111 Å²	111	168.1 Å²	168.1	78%	0.776	79%	0.794	S	S	*	*				-173	131.5	111	20	0	0	0	0	113
213	L	32	Very low	30.7	Very low	150 Å²	150	164.9 Å²	164.9	79%	0.785	79%	0.789	S	S	*	*			trans	76	100.3	155	-58.3	162.9	0	0	0	117.2	I215	L213-I215 HydrophobicContact CB-CG1 4.38Å; L213-I215 PolarHBondContact O-N 3.12Å
214	N	27.8	Very low	30.7	Very low	179 Å²	179	162.3 Å²	162.3	96%	0.957	79%	0.792	S	S	*	*			trans	-50.2	86.4	153.1	-82.1	-38.9	0	0	0	110.3
215	I	30	Very low	30.5	Very low	140 Å²	140	158.8 Å²	158.8	72%	0.718	79%	0.785	S	S	*	*			trans	-85.4	122.2	166.3	-59	173.6	0	0	0	106.7	L213 R217	L213-I215 HydrophobicContact CB-CG1 4.38Å; L213-I215 PolarHBondContact O-N 3.12Å; I215-R217 PolarHBondContact O-N 2.94Å
216	P	26.6	Very low	30.1	Very low	98 Å²	98	156.2 Å²	156.2	64%	0.636	78%	0.783	S	S	*	*			trans	-55.6	124.8	-179.5	-23	32	0	0	0	111.1	T218	P216-T218 PolarHBondContact O-N 3.03Å
217	R	37.2	Very low	30.3	Very low	249 Å²	249	153.9 Å²	153.9	94%	0.94	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	9.2	-173.7	-138	177.1	-168.6	170.9	3	114.9	I215	I215-R217 PolarHBondContact O-N 2.94Å
218	T	31.7	Very low	30	Very low	126 Å²	126	154.3 Å²	154.3	77%	0.773	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-0.7	-171.7	45.8	0	0	0	0	115.3	P216	P216-T218 PolarHBondContact O-N 3.03Å
219	M	27.9	Very low	29.9	Very low	180 Å²	180	152.2 Å²	152.2	89%	0.887	79%	0.785	S	S	*	*	S	Bend	trans	-111.7	-0.6	177.2	-67.7	-153.9	76.4	0	0	116.4
220	M	29.6	Very low	29.6	Very low	152 Å²	152	148.5 Å²	148.5	75%	0.749	77%	0.77	S	S	*	*			trans	-112.8	73.7	170.6	-69.9	-168.5	93.4	0	0	110.5	Q222	M220-Q222 HydrophobicContact CE-CG 4.35Å; M220-Q222 PolarHBondContact O-N 2.77Å
221	K	28.8	Very low	29.5	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	77%	0.772	S	S	*	*			trans	-70.1	90.2	144.8	-85.1	-175.6	176.3	-179.7	0	105.1	S223	K221-S223 PolarHBondContact O-N 3.31Å
222	Q	31.8	Very low	29.7	Very low	150 Å²	150	147.4 Å²	147.4	70%	0.701	76%	0.755	S	S	*	*			trans	-56.2	101	160.8	-73.3	178.8	-30	0	0	105	M220 D224	M220-Q222 HydrophobicContact CE-CG 4.35Å; M220-Q222 PolarHBondContact O-N 2.77Å; Q222-D224 PolarHBondContact O-N 2.89Å
223	S	34.4	Very low	29.5	Very low	91 Å²	91	145.9 Å²	145.9	64%	0.636	74%	0.743	S	S	*	*			trans	-51	123.5	164.3	38.1	0	0	0	0	106.5	K221 C225	K221-S223 PolarHBondContact O-N 3.31Å; S223-C225 PolarHBondContact O-N 3.25Å
224	D	30.9	Very low	29.2	Very low	167 Å²	167	145 Å²	145	89%	0.893	74%	0.738	S	S	*	*			trans	-62.5	26.3	176.8	-69.9	-50.6	0	0	0	113.3	Q222 Q226	Q222-D224 PolarHBondContact O-N 2.89Å; D224-Q226 VanDerWaalsContact C-N 3.3Å; D224-Q226 PolarHBondContact O-N 3.2Å
225	C	31.3	Very low	29.2	Very low	95 Å²	95	142.9 Å²	142.9	64%	0.642	73%	0.727	S	S	*	*			trans	-71	90.8	165.2	-62.1	0	0	0	0	107.3	S223	S223-C225 PolarHBondContact O-N 3.25Å
226	Q	26.7	Very low	29.1	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.804	72%	0.724	S	S	*	*			trans	-47.7	127	158.3	-81	-136.5	-21.7	0	0	107.9	D224 F228	D224-Q226 VanDerWaalsContact C-N 3.3Å; D224-Q226 PolarHBondContact O-N 3.2Å; Q226-F228 PolarHBondContact O-N 3.4Å; Q226-F228 VanDerWaalsContact O-N 3.16Å
227	P	34.5	Very low	29.2	Very low	105 Å²	105	144.1 Å²	144.1	68%	0.682	73%	0.729	S	S	*	*			trans	-58	126	-178.8	22	-31.3	0	0	0	108.4	S229	P227-S229 PolarHBondContact O-N 2.87Å
228	F	28.5	Very low	28.8	Very low	171 Å²	171	137.3 Å²	137.3	75%	0.75	71%	0.709	S	S	*	*			trans	-57	102.4	174	-72.5	-84.3	0	0	0	108.5	Q226 Y230	Q226-F228 PolarHBondContact O-N 3.4Å; Q226-F228 VanDerWaalsContact O-N 3.16Å; F228-Y230 VanDerWaalsContact C-N 3.28Å; F228-Y230 HydrophobicContact CB-CD2 4.02Å; F228-Y230 HydrophobicContact CB-CE2 3.76Å; F228-Y230 PolarHBondContact O-N 3.49Å
229	S	23.2	Very low	28.7	Very low	118 Å²	118	134.3 Å²	134.3	83%	0.825	69%	0.69	S	S	*	*			trans	-70.4	86	175.5	169.6	0	0	0	0	108.8	P227	P227-S229 PolarHBondContact O-N 2.87Å
230	Y	26.1	Very low	28.9	Very low	154 Å²	154	130.8 Å²	130.8	60%	0.604	68%	0.681	S	S	*	*			trans	-76.8	127.8	163.4	-76.2	-82.9	0	0	0	109.1	F228 I232	F228-Y230 VanDerWaalsContact C-N 3.28Å; F228-Y230 HydrophobicContact CB-CD2 4.02Å; F228-Y230 HydrophobicContact CB-CE2 3.76Å; F228-Y230 PolarHBondContact O-N 3.49Å; Y230-I232 PolarHBondContact O-N 3.16Å
231	Y	23.8	Very low	29.1	Very low	198 Å²	198	130.9 Å²	130.9	78%	0.776	68%	0.68	S	S	*	*			trans	-57.2	104.4	168.2	-175.1	-97.1	0	0	0	108.9	P233	Y231-P233 HydrophobicContact CE1-CB 4.46Å
232	I	32.3	Very low	29.3	Very low	84 Å²	84	124.1 Å²	124.1	43%	0.431	65%	0.653	S	S	.	*			trans	-79.7	121.6	162.4	-59.5	176.3	0	0	0	104.4	Y230 N234	Y230-I232 PolarHBondContact O-N 3.16Å; I232-N234 PolarHBondContact O-N 3.36Å
233	P	24.6	Very low	29.2	Very low	79 Å²	79	120.9 Å²	120.9	51%	0.513	64%	0.641	S	S	.	*			trans	-54.5	111.3	170.2	-19.1	29.9	0	0	0	107.5	Y231 D235	Y231-P233 HydrophobicContact CE1-CB 4.46Å; P233-D235 PolarHBondContact O-N 3.38Å
234	N	26.3	Very low	29	Very low	130 Å²	130	126 Å²	126	70%	0.695	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	130.1	167.7	-73.2	-27.7	0	0	0	106.2	I232	I232-N234 PolarHBondContact O-N 3.36Å
235	D	27.4	Very low	28.9	Very low	135 Å²	135	129 Å²	129	72%	0.722	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	59.3	163.4	-44.4	-37.3	0	0	0	116	P233 N237	P233-D235 PolarHBondContact O-N 3.38Å; D235-N237 PolarHBondContact O-N 3.36Å
236	I	28.2	Very low	29	Very low	127 Å²	127	128.9 Å²	128.9	65%	0.651	64%	0.637	S	S	*	*			trans	-68.2	97.3	135.4	-57.7	176.2	0	0	0	104.7	M238	I236-M238 HydrophobicContact CG2-CG 4.33Å; I236-M238 HydrophobicContact CG2-SD 4.28Å; I236-M238 PolarHBondContact O-N 3.05Å
237	N	28.4	Very low	29.3	Very low	138 Å²	138	125.5 Å²	125.5	74%	0.738	62%	0.621	S	S	*	*			trans	-58.1	85.3	163.9	-92.1	-45.7	0	0	0	107.5	D235 T239	D235-N237 PolarHBondContact O-N 3.36Å; N237-T239 PolarHBondContact O-N 3.29Å
238	M	29.2	Very low	29	Very low	106 Å²	106	122.7 Å²	122.7	52%	0.522	61%	0.611	S	S	.	*			trans	-59.9	107.9	171.3	-74.3	-75	-152.5	0	0	106.4	I236 D242	I236-M238 HydrophobicContact CG2-CG 4.33Å; I236-M238 HydrophobicContact CG2-SD 4.28Å; I236-M238 PolarHBondContact O-N 3.05Å; M238-D242 HydrophobicContact SD-CB 3.92Å
239	T	28.7	Very low	29.1	Very low	62 Å²	62	121.9 Å²	121.9	38%	0.38	61%	0.613	S	S	.	*			trans	-71.5	155.8	176.6	63.2	0	0	0	0	108.7	N237 Q241 D242 N243	N237-T239 PolarHBondContact O-N 3.29Å; T239-Q241 PolarHBondContact O-N 3.29Å; T239-D242 PolarHBondContact N-OD2 2.78Å; T239-D242 WeakPolarHBondContact O-CB 3.35Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 PolarHBondContact OG1-OD2 2.73Å; T239-N243 PolarHBondContact O-N 2.85Å
240	P	32.1	Very low	29.5	Very low	106 Å²	106	122.9 Å²	122.9	69%	0.688	61%	0.605	S	S	*	*	H	α-helix	trans	-55.3	-18.1	175.4	-25.7	33.9	0	0	0	114.2
241	Q	35.2	Very low	29.6	Very low	155 Å²	155	118.9 Å²	118.9	72%	0.724	59%	0.589	S	S	*	*	H	α-helix	trans	-75.4	-35.3	173.1	-75.1	178.3	-21.5	0	0	112.7	T239 N243 R244 R245	T239-Q241 PolarHBondContact O-N 3.29Å; Q241-N243 VanDerWaalsContact C-N 3.32Å; Q241-N243 PolarHBondContact O-N 3.45Å; Q241-R244 PolarHBondContact O-N 2.79Å; Q241-R244 VanDerWaalsContact O-N 3.14Å; Q241-R245 PolarHBondContact O-N 3.31Å
242	D	32.5	Very low	29.9	Very low	64 Å²	64	117.3 Å²	117.3	34%	0.342	59%	0.589	S	S	.	*	H	α-helix	trans	-65.2	-38	176.2	-62.2	-50.8	0	0	0	111.2	M238 T239 R244 R245 I246	M238-D242 HydrophobicContact SD-CB 3.92Å; T239-D242 PolarHBondContact N-OD2 2.78Å; T239-D242 WeakPolarHBondContact O-CB 3.35Å; T239-D242 PolarHBondContact O-N 3.25Å; T239-D242 PolarHBondContact OG1-OD2 2.73Å; D242-R244 VanDerWaalsContact C-N 3.28Å; D242-R244 PolarHBondContact O-N 3.25Å; D242-R245 PolarHBondContact O-N 3.17Å; D242-R245 VanDerWaalsContact O-N 3.16Å; D242-I246 PolarHBondContact O-N 2.88Å
243	N	29.7	Very low	29.8	Very low	82 Å²	82	119 Å²	119	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-31.5	173.9	-76.1	-12.6	0	0	0	113	T239 Q241 H247	T239-N243 PolarHBondContact O-N 2.85Å; Q241-N243 VanDerWaalsContact C-N 3.32Å; Q241-N243 PolarHBondContact O-N 3.45Å; N243-H247 WeakPolarHBondContact O-CB 3.45Å; N243-H247 PolarHBondContact O-CD2 3.33Å; N243-H247 PolarHBondContact O-N 2.99Å
244	R	29.1	Very low	30.3	Very low	199 Å²	199	120.1 Å²	120.1	75%	0.751	59%	0.594	S	S	*	*	H	α-helix	trans	-74.9	-32.4	175.3	-72.8	-172.4	-167.9	178.5	4.7	112.2	Q241 D242 I246 H247 G248	Q241-R244 PolarHBondContact O-N 2.79Å; Q241-R244 VanDerWaalsContact O-N 3.14Å; D242-R244 VanDerWaalsContact C-N 3.28Å; D242-R244 PolarHBondContact O-N 3.25Å; R244-I246 VanDerWaalsContact C-N 3.31Å; R244-I246 PolarHBondContact O-N 3.39Å; R244-H247 PolarHBondContact O-N 3.26Å; R244-G248 VanDerWaalsContact O-CA 3.27Å; R244-G248 WeakPolarHBondContact O-CA 3.2Å; R244-G248 PolarHBondContact O-N 2.94Å
245	R	29.5	Very low	30.6	Very low	228 Å²	228	121.5 Å²	121.5	86%	0.86	59%	0.594	S	S	*	*	H	α-helix	trans	-70.4	-31.1	-179.2	-152.1	176.4	-175.5	-166.4	-0.4	112.2	Q241 D242	Q241-R245 PolarHBondContact O-N 3.31Å; D242-R245 PolarHBondContact O-N 3.17Å; D242-R245 VanDerWaalsContact O-N 3.16Å
246	I	33.2	Very low	30.6	Very low	93 Å²	93	122.3 Å²	122.3	48%	0.477	59%	0.593	S	S	.	*	H	α-helix	trans	-84.5	-27.7	176.5	-57.9	174.7	0	0	0	112	D242 R244	D242-I246 PolarHBondContact O-N 2.88Å; R244-I246 VanDerWaalsContact C-N 3.31Å; R244-I246 PolarHBondContact O-N 3.39Å
247	H	33	Very low	30.6	Very low	101 Å²	101	125 Å²	125	47%	0.468	60%	0.603	S	S	.	*	H	α-helix	trans	-109.8	-3.3	-174.1	-64.7	-50.5	0	0	0	116	N243 R244	N243-H247 WeakPolarHBondContact O-CB 3.45Å; N243-H247 PolarHBondContact O-CD2 3.33Å; N243-H247 PolarHBondContact O-N 2.99Å; R244-H247 PolarHBondContact O-N 3.26Å
248	G	28.7	Very low	30.7	Very low	46 Å²	46	127.6 Å²	127.6	47%	0.474	63%	0.632	S	S	.	*	S	Bend	trans	-116.6	68.2	-162.6	0	0	0	0	0	115	R244	R244-G248 VanDerWaalsContact O-CA 3.27Å; R244-G248 WeakPolarHBondContact O-CA 3.2Å; R244-G248 PolarHBondContact O-N 2.94Å
249	I	31.2	Very low	30.7	Very low	155 Å²	155	128.7 Å²	128.7	80%	0.795	64%	0.637	S	S	*	*	S	Bend	trans	179.1	-33.1	131.4	-86.8	148.7	0	0	0	112.7
250	E	30.2	Very low	30.9	Very low	138 Å²	138	132.2 Å²	132.2	65%	0.645	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-85.4	-17.8	-174.8	-83.1	-178	154.5	0	0	115.9	Q252 N253 Y254	E250-Q252 VanDerWaalsContact C-N 3.28Å; E250-Q252 PolarHBondContact O-N 2.95Å; E250-Q252 VanDerWaalsContact O-N 3.16Å; E250-N253 PolarHBondContact O-N 3.04Å; E250-Y254 WeakPolarHBondContact O-CD2 3.35Å
251	Y	28.8	Very low	30.8	Very low	70 Å²	70	133.7 Å²	133.7	28%	0.275	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-66.2	-19.9	-174.9	-98.7	-90	0	0	0	115.6	L92	L92-Y251 HydrophobicContact CD1-CE1 4.19Å
252	Q	29.9	Very low	30.5	Very low	165 Å²	165	132.4 Å²	132.4	77%	0.771	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-78.5	-23.6	177.6	-78.8	-171.7	-17.1	0	0	113.3	E250 H256	E250-Q252 VanDerWaalsContact C-N 3.28Å; E250-Q252 PolarHBondContact O-N 2.95Å; E250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-H256 PolarHBondContact O-ND1 2.78Å
253	N	30.4	Very low	30.4	Very low	121 Å²	121	136.7 Å²	136.7	65%	0.647	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-22.4	-179.3	-74.4	-20.1	0	0	0	112.9	E250 F255 H256	E250-N253 PolarHBondContact O-N 3.04Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 3.14Å; N253-H256 PolarHBondContact O-N 3.22Å
254	Y	35.6	Very low	30.5	Very low	102 Å²	102	140.3 Å²	140.3	40%	0.4	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.4	-18.2	-174.9	-86.6	-71.8	0	0	0	115.6	E88 E250	E88-Y254 WeakPolarHBondContact OE1-CE2 3.43Å; E88-Y254 PolarHBondContact OE1-OH 2.65Å; E88-Y254 PolarHBondContact OE2-OH 3.04Å; E250-Y254 WeakPolarHBondContact O-CD2 3.35Å
255	F	32.3	Very low	30.6	Very low	159 Å²	159	136.1 Å²	136.1	70%	0.697	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	6	178.2	-73.8	-79.6	0	0	0	114.1	W96 N253	W96-F255 HydrophobicContact CZ3-CZ 4.42Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 3.14Å
256	H	27.6	Very low	30.6	Very low	151 Å²	151	129.1 Å²	129.1	70%	0.699	66%	0.658	S	S	*	*			trans	-108.1	-1.3	-179.2	-71	87.1	0	0	0	114.6	Q252 N253 S258	Q252-H256 PolarHBondContact O-ND1 2.78Å; N253-H256 PolarHBondContact O-N 3.22Å; H256-S258 PolarHBondContact O-N 3.32Å
257	Q	27.4	Very low	30.4	Very low	184 Å²	184	132.1 Å²	132.1	86%	0.86	67%	0.673	S	S	*	*			trans	-90.7	84.3	169.6	-71.7	-172	12.5	0	0	110.2
258	S	29.9	Very low	30.2	Very low	193 Å²	193	134.9 Å²	134.9	100%	1.35	69%	0.692	S	S	*	*			trans	33.2	0	145.9	-46.6	0	0	0	0	118.5	H256	H256-S258 PolarHBondContact O-N 3.32Å

Retrieved 258 of 258 residues in 45.6 ms (Link to these results)

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