A0A5K4F3Z3_SCHMA Loading...

Afadin-and alpha-actinin-binding protein

AlphaFold DB , UniProt , Accession A0A5K4F3Z3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.4	Very low	40.1	Very low	250 Å²	250	149.4 Å²	149.4	100%	1.232	77%	0.769	S	S	*	*				0	124.4	0	-64.9	169.3	75.4	0	0	107.5
2	S	40	Very low	40.1	Very low	115 Å²	115	150 Å²	150	80%	0.804	78%	0.775	S	S	*	*			trans	-120.7	139.4	172.1	36.1	0	0	0	0	108	I4	S2-I4 PolarHBondContact O-N 3.15Å
3	H	38.6	Very low	40	Very low	192 Å²	192	142.5 Å²	142.5	89%	0.889	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-67.5	128.6	-177.8	-82.9	-99.1	0	0	0	110.9
4	I	44.9	Very low	39.6	Very low	136 Å²	136	142.4 Å²	142.4	70%	0.697	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-86	121.1	158.9	-59.2	176.1	0	0	0	106.2	S2	S2-I4 PolarHBondContact O-N 3.15Å
5	P	40.5	Very low	39.9	Very low	105 Å²	105	145.4 Å²	145.4	68%	0.682	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-63.3	145.6	175.3	-22.4	34.5	0	0	0	111.8
6	S	33.5	Very low	39.4	Very low	77 Å²	77	146.7 Å²	146.7	54%	0.538	76%	0.761	S	S	.	*	P	Polyproline II helix	trans	-67.8	153.4	176.1	-164.9	0	0	0	0	111.8	D8	S6-D8 WeakPolarHBondContact CB-OD2 3.12Å; S6-D8 PolarHBondContact O-N 3.23Å; S6-D8 VanDerWaalsContact O-N 3.12Å; S6-D8 PolarHBondContact OG-OD2 3.31Å
7	I	44.7	Very low	39.4	Very low	141 Å²	141	145.1 Å²	145.1	72%	0.723	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-67.3	-13.9	-171.6	-159.8	164.1	0	0	0	113.8	Y9 F10	I7-Y9 PolarHBondContact O-N 3.13Å; I7-Y9 VanDerWaalsContact O-N 3.12Å; I7-F10 PolarHBondContact O-N 3.15Å
8	D	40.4	Very low	39.2	Very low	106 Å²	106	146.7 Å²	146.7	57%	0.567	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-62.7	-20.4	-173.6	-49	-77.8	0	0	0	114.3	S6 F10	S6-D8 WeakPolarHBondContact CB-OD2 3.12Å; S6-D8 PolarHBondContact O-N 3.23Å; S6-D8 VanDerWaalsContact O-N 3.12Å; S6-D8 PolarHBondContact OG-OD2 3.31Å; D8-F10 VanDerWaalsContact C-N 3.27Å; D8-F10 PolarHBondContact O-N 3.34Å
9	Y	42.3	Very low	39.3	Very low	205 Å²	205	143.1 Å²	143.1	80%	0.804	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-67.7	-17.7	-178	-98	-86.5	0	0	0	115	I7	I7-Y9 PolarHBondContact O-N 3.13Å; I7-Y9 VanDerWaalsContact O-N 3.12Å
10	F	39.6	Very low	39.3	Very low	178 Å²	178	143 Å²	143	78%	0.781	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-84.4	-14.9	-174.6	-83.7	-84.8	0	0	0	115.2	I7 D8 N12	I7-F10 PolarHBondContact O-N 3.15Å; D8-F10 VanDerWaalsContact C-N 3.27Å; D8-F10 PolarHBondContact O-N 3.34Å; F10-N12 VanDerWaalsContact C-N 3.35Å; F10-N12 PolarHBondContact O-N 3.11Å
11	N	41.4	Very low	39.2	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-4.3	-167.8	-73.7	-29.8	0	0	0	116.1
12	N	39.5	Very low	39.3	Very low	157 Å²	157	137.8 Å²	137.8	84%	0.84	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	4.2	-173.7	-77.8	-21.6	0	0	0	115.2	F10	F10-N12 VanDerWaalsContact C-N 3.35Å; F10-N12 PolarHBondContact O-N 3.11Å
13	A	38.8	Very low	39.2	Very low	52 Å²	52	141.6 Å²	141.6	43%	0.43	72%	0.722	S	S	.	*			trans	-96.2	99.9	-178.7	0	0	0	0	0	112	W15	A13-W15 HydrophobicContact CB-CZ2 4.22Å; A13-W15 VanDerWaalsContact CB-NE1 3.32Å; A13-W15 PolarHBondContact O-N 3.05Å
14	V	34.7	Very low	39	Very low	141 Å²	141	136.7 Å²	136.7	86%	0.855	71%	0.709	S	S	*	*			trans	-77.3	88.8	172.3	-178.3	0	0	0	0	109.4	N16	V14-N16 PolarHBondContact O-N 2.98Å; V14-N16 VanDerWaalsContact O-N 3.11Å
15	W	44.6	Very low	38.8	Very low	188 Å²	188	135.9 Å²	135.9	71%	0.712	72%	0.715	S	S	*	*			trans	-74.7	96.5	179.2	-65.3	100.9	0	0	0	111.5	A13 I17	A13-W15 HydrophobicContact CB-CZ2 4.22Å; A13-W15 VanDerWaalsContact CB-NE1 3.32Å; A13-W15 PolarHBondContact O-N 3.05Å; W15-I17 VanDerWaalsContact C-N 3.33Å; W15-I17 HydrophobicContact CB-CD1 3.98Å; W15-I17 HydrophobicContact CB-CG1 4.22Å; W15-I17 PolarHBondContact O-N 3.23Å
16	N	31.3	Very low	38.5	Very low	166 Å²	166	142.3 Å²	142.3	89%	0.888	73%	0.726	S	S	*	*			trans	-79.4	78.6	178.6	-153.8	16.9	0	0	0	110.6	V14	V14-N16 PolarHBondContact O-N 2.98Å; V14-N16 VanDerWaalsContact O-N 3.11Å
17	I	40	Very low	38.7	Very low	119 Å²	119	146.7 Å²	146.7	61%	0.61	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-100.5	120	-176.7	-62.6	166.3	0	0	0	109.8	W15	W15-I17 VanDerWaalsContact C-N 3.33Å; W15-I17 HydrophobicContact CB-CD1 3.98Å; W15-I17 HydrophobicContact CB-CG1 4.22Å; W15-I17 PolarHBondContact O-N 3.23Å
18	Q	35.9	Very low	38.1	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-99.1	116.2	179.3	-171.7	172.3	2.9	0	0	110.2	V20	Q18-V20 PolarHBondContact O-N 3.18Å
19	P	41.2	Very low	37.8	Very low	77 Å²	77	144.8 Å²	144.8	50%	0.5	75%	0.751	S	S	.	*	P	Polyproline II helix	trans	-74.7	116.4	-178.3	29.2	-33.8	0	0	0	111.6	F21	P19-F21 HydrophobicContact CB-CD2 4.02Å; P19-F21 HydrophobicContact CB-CE2 3.75Å; P19-F21 HydrophobicContact CG-CD2 4.25Å; P19-F21 HydrophobicContact CG-CE2 3.93Å; P19-F21 PolarHBondContact O-N 2.8Å; P19-F21 VanDerWaalsContact O-N 3.13Å
20	V	38.8	Very low	37.7	Very low	141 Å²	141	140.8 Å²	140.8	86%	0.855	75%	0.748	S	S	*	*			trans	-82.4	86.6	174.7	-176	0	0	0	0	109.4	Q18 D22	Q18-V20 PolarHBondContact O-N 3.18Å; V20-D22 PolarHBondContact O-N 3.5Å; V20-D22 VanDerWaalsContact O-N 3.15Å
21	F	37.8	Very low	37.8	Very low	147 Å²	147	137.9 Å²	137.9	65%	0.645	75%	0.749	S	S	*	*			trans	-76.9	91.3	171.8	-78	-78	0	0	0	111	P19 K23	P19-F21 HydrophobicContact CB-CD2 4.02Å; P19-F21 HydrophobicContact CB-CE2 3.75Å; P19-F21 HydrophobicContact CG-CD2 4.25Å; P19-F21 HydrophobicContact CG-CE2 3.93Å; P19-F21 PolarHBondContact O-N 2.8Å; P19-F21 VanDerWaalsContact O-N 3.13Å; F21-K23 PolarHBondContact O-N 3.22Å; F21-K23 VanDerWaalsContact O-N 3.15Å
22	D	37.6	Very low	38.1	Very low	137 Å²	137	140 Å²	140	73%	0.733	75%	0.754	S	S	*	*			trans	-71	105.3	167.7	-170.1	-2.5	0	0	0	110.3	V20 S24	V20-D22 PolarHBondContact O-N 3.5Å; V20-D22 VanDerWaalsContact O-N 3.15Å; D22-S24 VanDerWaalsContact C-N 3.26Å; D22-S24 PolarHBondContact O-N 3.3Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 2.89Å
23	K	36.9	Very low	39.2	Very low	196 Å²	196	135.1 Å²	135.1	85%	0.852	73%	0.733	S	S	*	*			trans	-91.5	49.5	-179.1	-70.8	-175.8	176.4	177.1	0	111.6	F21	F21-K23 PolarHBondContact O-N 3.22Å; F21-K23 VanDerWaalsContact O-N 3.15Å
24	S	35.6	Very low	40.7	Very low	89 Å²	89	137.4 Å²	137.4	62%	0.622	73%	0.734	S	S	*	*			trans	-121.2	45	-173.3	-169.2	0	0	0	0	115.3	D22	D22-S24 VanDerWaalsContact C-N 3.26Å; D22-S24 PolarHBondContact O-N 3.3Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 2.89Å
25	S	39.3	Very low	42.7	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	71%	0.71	S	S	*	*			trans	-169.1	139.2	144.4	36.4	0	0	0	0	112.4
26	R	33.8	Very low	44.2	Very low	241 Å²	241	127.7 Å²	127.7	91%	0.909	69%	0.69	S	S	*	*			trans	-96.8	116.5	153.3	-83.9	176.2	166.4	165.5	-5.8	106.2
27	D	37.9	Very low	46.4	Very low	169 Å²	169	123.3 Å²	123.3	90%	0.904	67%	0.67	S	S	*	*			trans	-160	169.3	145.8	-101.6	-33.6	0	0	0	110.6
28	S	31.7	Very low	48	Very low	93 Å²	93	118 Å²	118	65%	0.65	64%	0.642	S	S	*	*			trans	-89.3	150.7	-154.9	55.5	0	0	0	0	116.4
29	S	35	Very low	49.7	Very low	114 Å²	114	115.6 Å²	115.6	80%	0.797	63%	0.633	S	S	*	*			trans	57	64.9	151.7	59.9	0	0	0	0	116.8
30	T	39.5	Very low	51.1	Low	121 Å²	121	114.9 Å²	114.9	74%	0.742	63%	0.629	S	S	*	*			trans	-139.1	137.8	157.5	-36.7	0	0	0	0	109	H32	T30-H32 PolarHBondContact O-N 2.92Å
31	S	41.5	Very low	52.8	Low	116 Å²	116	117.1 Å²	117.1	81%	0.811	63%	0.63	S	S	*	*			trans	-55.4	123.7	-176.9	-56	0	0	0	0	111.1	S33	S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 2.91Å
32	H	49	Very low	54.8	Low	182 Å²	182	111.8 Å²	111.8	84%	0.843	61%	0.611	S	S	*	*			trans	-66.7	90.5	-179.5	-64	-60.4	0	0	0	111	T30 E34 N76	T30-H32 PolarHBondContact O-N 2.92Å; H32-E34 PolarHBondContact O-N 3.28Å; H32-N76 PolarHBondContact O-ND2 2.8Å
33	S	62.5	Low	56.9	Low	55 Å²	55	113.4 Å²	113.4	39%	0.385	61%	0.614	S	S	.	*			trans	-67.6	101.7	160.7	179	0	0	0	0	107.8	S31 T35	S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 2.91Å; S33-T35 PolarHBondContact O-N 3.46Å; S33-T35 PolarHBondContact O-OG1 2.94Å; S33-T35 PolarHBondContact OG-OG1 3.34Å
34	E	71.2	Confident	59	Low	100 Å²	100	108.3 Å²	108.3	47%	0.467	60%	0.595	S	S	.	*			trans	-67.7	116.6	165.9	-169.5	170.1	-138.9	0	0	107.8	H32 F36 M75	H32-E34 PolarHBondContact O-N 3.28Å; E34-F36 HydrophobicContact CG-CE2 3.81Å; E34-F36 HydrophobicContact CG-CZ 3.96Å; E34-M75 HydrophobicContact CB-CB 4.36Å; E34-M75 WeakPolarHBondContact O-CB 3.37Å; E34-M75 PolarHBondContact O-N 2.71Å
35	T	76.3	Confident	61.2	Low	54 Å²	54	104.5 Å²	104.5	33%	0.331	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.6	117.9	-169.2	-61.2	0	0	0	0	109.4	S33 Q72 I73	S33-T35 PolarHBondContact O-N 3.46Å; S33-T35 PolarHBondContact O-OG1 2.94Å; S33-T35 PolarHBondContact OG-OG1 3.34Å; T35-Q72 HydrophobicContact CG2-CB 3.67Å; T35-Q72 HydrophobicContact CG2-CG 4.12Å; T35-I73 CarbonylContact C-O 3.52Å; T35-I73 WeakPolarHBondContact CA-O 3.32Å
36	F	76.4	Confident	63.3	Low	71 Å²	71	102.3 Å²	102.3	31%	0.311	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	118.3	-177.2	-70	-84.2	0	0	0	111.1	E34 Q72 I73 M75	E34-F36 HydrophobicContact CG-CE2 3.81Å; E34-F36 HydrophobicContact CG-CZ 3.96Å; F36-Q72 WeakPolarHBondContact O-CA 3.38Å; F36-I73 HydrophobicContact CB-CB 4.36Å; F36-I73 PolarHBondContact N-O 3.01Å; F36-I73 PolarHBondContact O-N 3.24Å; F36-M75 HydrophobicContact CD2-CB 4.1Å; F36-M75 HydrophobicContact CD2-CG 4.46Å; F36-M75 HydrophobicContact CD2-SD 4.45Å; F36-M75 HydrophobicContact CE2-CB 3.94Å; F36-M75 HydrophobicContact CE2-CG 3.96Å; F36-M75 HydrophobicContact CE2-SD 4.18Å
37	V	75.7	Confident	65.8	Low	74 Å²	74	93.4 Å²	93.4	45%	0.448	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128	170.9	175.9	0	0	0	0	109.7	E70 Q72	V37-E70 HydrophobicContact CG1-CB 4.2Å; V37-E70 HydrophobicContact CG1-CG 4.38Å; V37-Q72 HydrophobicContact CG2-CG 4.06Å
38	V	75.2	Confident	68	Low	7 Å²	7	86 Å²	86	4%	0.042	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.6	178.6	-170.7	0	0	0	0	108.9	P40 L44 D45 I48 T71 I73	V38-P40 WeakPolarHBondContact O-CD 3.17Å; V38-L44 HydrophobicContact CG1-CB 4.37Å; V38-L44 HydrophobicContact CG1-CD2 4.33Å; V38-L44 HydrophobicContact CG1-CG 4.07Å; V38-D45 HydrophobicContact CG1-CB 3.93Å; V38-I48 HydrophobicContact CB-CD1 4.49Å; V38-I48 HydrophobicContact CG1-CD1 4.02Å; V38-I48 HydrophobicContact CG2-CD1 3.69Å; V38-T71 WeakPolarHBondContact CB-O 3.47Å; V38-T71 PolarHBondContact N-O 2.67Å; V38-I73 HydrophobicContact CG2-CD1 3.93Å; V38-I73 HydrophobicContact CG2-CG1 4.2Å
39	M	70.9	Confident	70.6	Confident	125 Å²	125	86.5 Å²	86.5	62%	0.616	48%	0.475	S	S	*	.			trans	-64	123.4	177.3	-70.3	-88.7	76.8	0	0	110.6	S42	M39-S42 VanDerWaalsContact O-CB 3.3Å; M39-S42 WeakPolarHBondContact O-CB 3.22Å; M39-S42 PolarHBondContact O-N 3.03Å; M39-S42 PolarHBondContact O-OG 3.45Å
40	P	70.2	Confident	73.1	Confident	63 Å²	63	86.1 Å²	86.1	41%	0.409	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	150.5	178.1	-26.5	35.3	0	0	0	112.6	V38 S42	V38-P40 WeakPolarHBondContact O-CD 3.17Å; P40-S42 PolarHBondContact O-N 3.12Å
41	Q	74.7	Confident	75.3	Confident	188 Å²	188	83.6 Å²	83.6	88%	0.879	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	4.6	-179.8	-51.2	-178	-1.1	0	0	115.4	D45	Q41-D45 PolarHBondContact N-OD2 3.48Å
42	S	79.9	Confident	77.5	Confident	35 Å²	35	79 Å²	79	25%	0.245	41%	0.411	C	S	.	.	S	Bend	trans	-70.1	158.3	169.5	65.2	0	0	0	0	111.9	M39 P40 L44 D45 S46	M39-S42 VanDerWaalsContact O-CB 3.3Å; M39-S42 WeakPolarHBondContact O-CB 3.22Å; M39-S42 PolarHBondContact O-N 3.03Å; M39-S42 PolarHBondContact O-OG 3.45Å; P40-S42 PolarHBondContact O-N 3.12Å; S42-L44 PolarHBondContact O-N 3Å; S42-D45 WeakPolarHBondContact O-CB 3.38Å; S42-D45 PolarHBondContact O-N 3.27Å; S42-D45 WeakPolarHBondContact OG-CB 3.16Å; S42-D45 PolarHBondContact OG-N 3.12Å; S42-S46 PolarHBondContact O-N 2.56Å; S42-S46 VanDerWaalsContact O-N 3.09Å; S42-S46 PolarHBondContact O-OG 3.1Å; S42-S46 VanDerWaalsContact O-OG 3.12Å
43	Q	81.2	Confident	79.4	Confident	170 Å²	170	72.6 Å²	72.6	79%	0.794	39%	0.387	S	S	*	.	H	α-helix	trans	-58.5	-32.3	169.7	-174.7	-179.9	4.6	0	0	111.4	S47	Q43-S47 WeakPolarHBondContact O-CB 3.36Å; Q43-S47 PolarHBondContact O-N 3.27Å; Q43-S47 PolarHBondContact O-OG 3.16Å
44	L	81.6	Confident	80.6	Confident	90 Å²	90	74.4 Å²	74.4	47%	0.471	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-47.9	176.8	-176.6	57.6	0	0	0	111.3	V38 S42 S46 S47 I48	V38-L44 HydrophobicContact CG1-CB 4.37Å; V38-L44 HydrophobicContact CG1-CD2 4.33Å; V38-L44 HydrophobicContact CG1-CG 4.07Å; S42-L44 PolarHBondContact O-N 3Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 2.71Å; L44-S47 PolarHBondContact O-N 3.07Å; L44-S47 VanDerWaalsContact O-N 3.1Å; L44-I48 HydrophobicContact CD1-CD1 3.65Å; L44-I48 HydrophobicContact CD1-CG1 4.09Å; L44-I48 HydrophobicContact CG-CD1 3.61Å; L44-I48 HydrophobicContact CG-CG1 4.48Å; L44-I48 WeakPolarHBondContact O-CD1 3.39Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.36Å; L44-I48 PolarHBondContact O-N 3.35Å
45	D	81.6	Confident	81.5	Confident	9 Å²	9	70 Å²	70	5%	0.048	37%	0.369	C	S	.	.	H	α-helix	trans	-53.9	-46.7	172.7	-180	57	0	0	0	111.8	V38 Q41 S42 S47 I48 R49	V38-D45 HydrophobicContact CG1-CB 3.93Å; Q41-D45 PolarHBondContact N-OD2 3.48Å; S42-D45 WeakPolarHBondContact O-CB 3.38Å; S42-D45 PolarHBondContact O-N 3.27Å; S42-D45 WeakPolarHBondContact OG-CB 3.16Å; S42-D45 PolarHBondContact OG-N 3.12Å; D45-S47 PolarHBondContact O-N 3.37Å; D45-I48 PolarHBondContact O-N 2.92Å; D45-R49 VanDerWaalsContact CG-NE 3.26Å; D45-R49 VanDerWaalsContact CG-NH2 3.32Å; D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 VanDerWaalsContact O-CG 3.25Å; D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 2.95Å; D45-R49 IonicContact OD1-CZ 3.11Å; D45-R49 VanDerWaalsContact OD1-CZ 3.24Å; D45-R49 IonicContact OD1-NE 3.45Å; D45-R49 PolarHBondContact OD1-NE 2.85Å; D45-R49 VanDerWaalsContact OD1-NE 3.09Å; D45-R49 IonicContact OD1-NH2 3.02Å; D45-R49 PolarHBondContact OD1-NH2 3.37Å; D45-R49 IonicContact OD2-CZ 2.66Å; D45-R49 IonicContact OD2-NE 3.43Å; D45-R49 PolarHBondContact OD2-NE 3.36Å; D45-R49 IonicContact OD2-NH2 2.9Å; D45-R49 PolarHBondContact OD2-NH2 2.85Å; D45-R49 VanDerWaalsContact OD2-NH2 3.13Å
46	S	84	Confident	82	Confident	71 Å²	71	71.9 Å²	71.9	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-44.2	175.7	-54.8	0	0	0	0	112.3	S42 L44 L50	S42-S46 PolarHBondContact O-N 2.56Å; S42-S46 VanDerWaalsContact O-N 3.09Å; S42-S46 PolarHBondContact O-OG 3.1Å; S42-S46 VanDerWaalsContact O-OG 3.12Å; L44-S46 VanDerWaalsContact C-N 3.31Å; L44-S46 PolarHBondContact O-N 2.71Å; S46-L50 PolarHBondContact O-N 3.32Å
47	S	85.6	Confident	82.6	Confident	54 Å²	54	74.8 Å²	74.8	38%	0.378	39%	0.391	S	S	.	.	H	α-helix	trans	-68.2	-39.2	-179.7	-57	0	0	0	0	112.4	Q43 L44 D45 L50 I51	Q43-S47 WeakPolarHBondContact O-CB 3.36Å; Q43-S47 PolarHBondContact O-N 3.27Å; Q43-S47 PolarHBondContact O-OG 3.16Å; L44-S47 PolarHBondContact O-N 3.07Å; L44-S47 VanDerWaalsContact O-N 3.1Å; D45-S47 PolarHBondContact O-N 3.37Å; S47-L50 WeakPolarHBondContact O-CB 3.3Å; S47-L50 PolarHBondContact O-N 2.9Å; S47-I51 WeakPolarHBondContact O-CD1 3.28Å; S47-I51 VanDerWaalsContact O-CG1 3.3Å; S47-I51 WeakPolarHBondContact O-CG1 3.44Å; S47-I51 PolarHBondContact O-N 2.81Å
48	I	84.6	Confident	83.1	Confident	14 Å²	14	75.7 Å²	75.7	7%	0.072	39%	0.391	C	S	.	.	H	α-helix	trans	-76.1	-35.1	-179.1	-58.8	154.5	0	0	0	111	V38 L44 D45 L50 I51 N52 L64 I73	V38-I48 HydrophobicContact CB-CD1 4.49Å; V38-I48 HydrophobicContact CG1-CD1 4.02Å; V38-I48 HydrophobicContact CG2-CD1 3.69Å; L44-I48 HydrophobicContact CD1-CD1 3.65Å; L44-I48 HydrophobicContact CD1-CG1 4.09Å; L44-I48 HydrophobicContact CG-CD1 3.61Å; L44-I48 HydrophobicContact CG-CG1 4.48Å; L44-I48 WeakPolarHBondContact O-CD1 3.39Å; L44-I48 VanDerWaalsContact O-CG1 3.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.36Å; L44-I48 PolarHBondContact O-N 3.35Å; D45-I48 PolarHBondContact O-N 2.92Å; I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 3.07Å; I48-I51 PolarHBondContact O-N 3.17Å; I48-N52 VanDerWaalsContact O-CB 3.32Å; I48-N52 WeakPolarHBondContact O-CB 3.26Å; I48-N52 PolarHBondContact O-N 3.26Å; I48-L64 HydrophobicContact CG2-CD1 4.15Å; I48-L64 HydrophobicContact CG2-CD2 3.49Å; I48-L64 VanDerWaalsContact CG2-CD2 3.49Å; I48-L64 HydrophobicContact CG2-CG 3.87Å; I48-I73 HydrophobicContact CD1-CD1 3.43Å; I48-I73 VanDerWaalsContact CD1-CD1 3.43Å; I48-I73 HydrophobicContact CD1-CG1 4.26Å; I48-I73 HydrophobicContact CG1-CD1 4.06Å; I48-I73 HydrophobicContact CG2-CD1 3.99Å; I48-I73 HydrophobicContact CG2-CG1 3.82Å
49	R	85.2	Confident	83.6	Confident	103 Å²	103	78.6 Å²	78.6	39%	0.389	42%	0.423	S	S	.	.	H	α-helix	trans	-56	-46	169.6	-74.4	175.2	-164	-66.6	-17.5	110.9	D45 N52 S53 L64 T71	D45-R49 VanDerWaalsContact CG-NE 3.26Å; D45-R49 VanDerWaalsContact CG-NH2 3.32Å; D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 VanDerWaalsContact O-CG 3.25Å; D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 2.95Å; D45-R49 IonicContact OD1-CZ 3.11Å; D45-R49 VanDerWaalsContact OD1-CZ 3.24Å; D45-R49 IonicContact OD1-NE 3.45Å; D45-R49 PolarHBondContact OD1-NE 2.85Å; D45-R49 VanDerWaalsContact OD1-NE 3.09Å; D45-R49 IonicContact OD1-NH2 3.02Å; D45-R49 PolarHBondContact OD1-NH2 3.37Å; D45-R49 IonicContact OD2-CZ 2.66Å; D45-R49 IonicContact OD2-NE 3.43Å; D45-R49 PolarHBondContact OD2-NE 3.36Å; D45-R49 IonicContact OD2-NH2 2.9Å; D45-R49 PolarHBondContact OD2-NH2 2.85Å; D45-R49 VanDerWaalsContact OD2-NH2 3.13Å; R49-N52 PolarHBondContact O-N 3.08Å; R49-S53 PolarHBondContact O-N 2.87Å; R49-S53 PolarHBondContact O-OG 3.11Å; R49-S53 VanDerWaalsContact O-OG 3.13Å; R49-L64 HydrophobicContact CG-CD1 3.99Å; R49-T71 PolarHBondContact NH2-OG1 3.27Å
50	L	87.6	Confident	84.4	Confident	107 Å²	107	74.5 Å²	74.5	56%	0.56	40%	0.401	S	S	*	.	H	α-helix	trans	-60.5	-51.3	175.8	-178	65.2	0	0	0	111.9	S46 S47 I48 N52 S53 E54	S46-L50 PolarHBondContact O-N 3.32Å; S47-L50 WeakPolarHBondContact O-CB 3.3Å; S47-L50 PolarHBondContact O-N 2.9Å; I48-L50 VanDerWaalsContact C-N 3.29Å; I48-L50 PolarHBondContact O-N 3.07Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.85Å; L50-S53 WeakPolarHBondContact CA-OG 3.25Å; L50-S53 PolarHBondContact O-N 2.91Å; L50-S53 VanDerWaalsContact O-N 3.14Å; L50-S53 PolarHBondContact O-OG 3.08Å; L50-E54 WeakPolarHBondContact O-CG 3.3Å; L50-E54 PolarHBondContact O-N 3.02Å
51	I	87.3	Confident	85	Confident	67 Å²	67	74.9 Å²	74.9	34%	0.344	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-39.3	178.8	-65.9	160.7	0	0	0	111.4	S47 I48 E54 F55 F78	S47-I51 WeakPolarHBondContact O-CD1 3.28Å; S47-I51 VanDerWaalsContact O-CG1 3.3Å; S47-I51 WeakPolarHBondContact O-CG1 3.44Å; S47-I51 PolarHBondContact O-N 2.81Å; I48-I51 PolarHBondContact O-N 3.17Å; I51-E54 PolarHBondContact O-N 3.43Å; I51-F55 HydrophobicContact CG2-CD1 4.07Å; I51-F55 HydrophobicContact CG2-CE1 3.86Å; I51-F55 HydrophobicContact CG2-CZ 4.2Å; I51-F55 WeakPolarHBondContact O-CB 3.37Å; I51-F55 WeakPolarHBondContact O-CD1 3.34Å; I51-F55 PolarHBondContact O-N 3.24Å; I51-F78 HydrophobicContact CG2-CE2 4.12Å
52	N	86.6	Confident	85.3	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.102	39%	0.389	C	S	.	.	H	α-helix	trans	-67.6	-37.6	176.8	-174.8	93	0	0	0	112.3	I48 R49 L50 F55 E56 V63 L64	I48-N52 VanDerWaalsContact O-CB 3.32Å; I48-N52 WeakPolarHBondContact O-CB 3.26Å; I48-N52 PolarHBondContact O-N 3.26Å; R49-N52 PolarHBondContact O-N 3.08Å; L50-N52 VanDerWaalsContact C-N 3.28Å; L50-N52 PolarHBondContact O-N 2.85Å; N52-F55 PolarHBondContact O-N 3.09Å; N52-E56 WeakPolarHBondContact O-CB 3.42Å; N52-E56 PolarHBondContact O-N 2.94Å; N52-V63 PolarHBondContact OD1-N 3.09Å; N52-L64 HydrophobicContact CB-CB 4.34Å; N52-L64 HydrophobicContact CB-CD1 3.86Å; N52-L64 HydrophobicContact CB-CG 3.91Å; N52-L64 PolarHBondContact OD1-N 3.33Å
53	S	88.4	Confident	85.3	Confident	48 Å²	48	70.3 Å²	70.3	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-66	-40.7	172.3	43.7	0	0	0	0	112.4	R49 L50 F55 E56 I57	R49-S53 PolarHBondContact O-N 2.87Å; R49-S53 PolarHBondContact O-OG 3.11Å; R49-S53 VanDerWaalsContact O-OG 3.13Å; L50-S53 WeakPolarHBondContact CA-OG 3.25Å; L50-S53 PolarHBondContact O-N 2.91Å; L50-S53 VanDerWaalsContact O-N 3.14Å; L50-S53 PolarHBondContact O-OG 3.08Å; S53-F55 PolarHBondContact O-N 3.26Å; S53-E56 PolarHBondContact O-N 3.43Å; S53-I57 WeakPolarHBondContact O-CB 3.35Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 VanDerWaalsContact O-CG1 3.22Å; S53-I57 WeakPolarHBondContact O-CG1 3.43Å; S53-I57 PolarHBondContact O-N 2.66Å
54	E	89.3	Confident	85.2	Confident	94 Å²	94	63.5 Å²	63.5	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-42	174.1	-67.3	-60.9	153.7	0	0	111.4	L50 I51 E56 I57 M58	L50-E54 WeakPolarHBondContact O-CG 3.3Å; L50-E54 PolarHBondContact O-N 3.02Å; I51-E54 PolarHBondContact O-N 3.43Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 2.8Å; E54-I57 PolarHBondContact O-N 3.12Å; E54-M58 WeakPolarHBondContact O-CB 3.3Å; E54-M58 VanDerWaalsContact O-CG 3.29Å; E54-M58 WeakPolarHBondContact O-CG 3.04Å; E54-M58 PolarHBondContact O-N 3.01Å
55	F	88.5	Confident	85	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-41.6	175.4	-84.4	27.8	0	0	0	111.9	I51 N52 S53 M58 G59 Y60 V63 F78 V82 L85	I51-F55 HydrophobicContact CG2-CD1 4.07Å; I51-F55 HydrophobicContact CG2-CE1 3.86Å; I51-F55 HydrophobicContact CG2-CZ 4.2Å; I51-F55 WeakPolarHBondContact O-CB 3.37Å; I51-F55 WeakPolarHBondContact O-CD1 3.34Å; I51-F55 PolarHBondContact O-N 3.24Å; N52-F55 PolarHBondContact O-N 3.09Å; S53-F55 PolarHBondContact O-N 3.26Å; F55-M58 CarbonylContact O-C 3.55Å; F55-M58 PolarHBondContact O-N 3.38Å; F55-G59 PolarHBondContact O-N 3.01Å; F55-G59 VanDerWaalsContact O-N 3.14Å; F55-Y60 HydrophobicContact CD1-CD2 4.36Å; F55-Y60 HydrophobicContact CG-CD2 4.29Å; F55-Y60 PolarHBondContact O-N 3.41Å; F55-V63 HydrophobicContact CD2-CG2 3.62Å; F55-V63 HydrophobicContact CE2-CG2 3.91Å; F55-F78 HydrophobicContact CE2-CD2 4.27Å; F55-F78 HydrophobicContact CZ-CE2 4.44Å; F55-V82 HydrophobicContact CE2-CG2 4.48Å; F55-V82 HydrophobicContact CZ-CG2 3.82Å; F55-L85 HydrophobicContact CE1-CD2 4Å
56	E	86.5	Confident	84.6	Confident	93 Å²	93	69.7 Å²	69.7	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-40.1	176.6	-175.3	163.3	-178.5	0	0	112.3	N52 S53 E54 M58 G59 K62	N52-E56 WeakPolarHBondContact O-CB 3.42Å; N52-E56 PolarHBondContact O-N 2.94Å; S53-E56 PolarHBondContact O-N 3.43Å; E54-E56 VanDerWaalsContact C-N 3.34Å; E54-E56 PolarHBondContact O-N 2.8Å; E56-M58 VanDerWaalsContact C-N 3.31Å; E56-M58 PolarHBondContact O-N 2.88Å; E56-G59 PolarHBondContact O-N 3.2Å; E56-G59 VanDerWaalsContact O-N 3.12Å; E56-K62 VanDerWaalsContact CD-CE 3.46Å; E56-K62 VanDerWaalsContact OE1-CE 3.27Å; E56-K62 WeakPolarHBondContact OE1-CE 3.48Å; E56-K62 IonicContact OE1-NZ 3.34Å; E56-K62 PolarHBondContact OE1-NZ 3.13Å; E56-K62 VanDerWaalsContact OE2-CE 3.26Å; E56-K62 WeakPolarHBondContact OE2-CE 3.48Å; E56-K62 IonicContact OE2-NZ 3.07Å; E56-K62 PolarHBondContact OE2-NZ 2.71Å
57	I	89	Confident	83.8	Confident	132 Å²	132	69.5 Å²	69.5	68%	0.677	36%	0.364	S	S	*	.	H	α-helix	trans	-62.2	-38.3	173	-70.1	162.9	0	0	0	111.2	S53 E54 G59	S53-I57 WeakPolarHBondContact O-CB 3.35Å; S53-I57 WeakPolarHBondContact O-CD1 3.49Å; S53-I57 VanDerWaalsContact O-CG1 3.22Å; S53-I57 WeakPolarHBondContact O-CG1 3.43Å; S53-I57 PolarHBondContact O-N 2.66Å; E54-I57 PolarHBondContact O-N 3.12Å; I57-G59 VanDerWaalsContact C-N 3.25Å; I57-G59 PolarHBondContact O-N 2.81Å
58	M	86.3	Confident	82.7	Confident	92 Å²	92	75 Å²	75	45%	0.453	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	0.9	176.2	-65.3	-169.9	75.9	0	0	114.1	E54 F55 E56 Y60 L85	E54-M58 WeakPolarHBondContact O-CB 3.3Å; E54-M58 VanDerWaalsContact O-CG 3.29Å; E54-M58 WeakPolarHBondContact O-CG 3.04Å; E54-M58 PolarHBondContact O-N 3.01Å; F55-M58 CarbonylContact O-C 3.55Å; F55-M58 PolarHBondContact O-N 3.38Å; E56-M58 VanDerWaalsContact C-N 3.31Å; E56-M58 PolarHBondContact O-N 2.88Å; M58-Y60 VanDerWaalsContact C-N 3.34Å; M58-Y60 HydrophobicContact CB-CD2 3.72Å; M58-Y60 HydrophobicContact CB-CE2 3.62Å; M58-Y60 HydrophobicContact CE-CE2 4.05Å; M58-Y60 HydrophobicContact CG-CE2 4.43Å; M58-Y60 HydrophobicContact SD-CE2 4.04Å; M58-L85 HydrophobicContact CE-CD1 3.62Å; M58-L85 HydrophobicContact SD-CD1 3.81Å
59	G	87.5	Confident	81.8	Confident	68 Å²	68	77 Å²	77	70%	0.701	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	16.7	179	0	0	0	0	0	115.1	F55 E56 I57	F55-G59 PolarHBondContact O-N 3.01Å; F55-G59 VanDerWaalsContact O-N 3.14Å; E56-G59 PolarHBondContact O-N 3.2Å; E56-G59 VanDerWaalsContact O-N 3.12Å; I57-G59 VanDerWaalsContact C-N 3.25Å; I57-G59 PolarHBondContact O-N 2.81Å
60	Y	86.6	Confident	81	Confident	40 Å²	40	76 Å²	76	16%	0.157	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-82	160.3	172.6	-58.3	-49.6	0	0	0	111.8	F55 M58 K84 L85 S88	F55-Y60 HydrophobicContact CD1-CD2 4.36Å; F55-Y60 HydrophobicContact CG-CD2 4.29Å; F55-Y60 PolarHBondContact O-N 3.41Å; M58-Y60 VanDerWaalsContact C-N 3.34Å; M58-Y60 HydrophobicContact CB-CD2 3.72Å; M58-Y60 HydrophobicContact CB-CE2 3.62Å; M58-Y60 HydrophobicContact CE-CE2 4.05Å; M58-Y60 HydrophobicContact CG-CE2 4.43Å; M58-Y60 HydrophobicContact SD-CE2 4.04Å; Y60-K84 HydrophobicContact CD1-CB 4.08Å; Y60-K84 HydrophobicContact CD1-CD 4.46Å; Y60-K84 HydrophobicContact CE1-CB 3.71Å; Y60-L85 HydrophobicContact CE2-CB 4.02Å; Y60-L85 HydrophobicContact CE2-CD1 4.26Å; Y60-S88 WeakPolarHBondContact OH-CB 3.43Å
61	S	82.8	Confident	80.4	Confident	71 Å²	71	71 Å²	71	50%	0.497	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.9	140.4	179.3	-56.1	0	0	0	0	111.5	V63	S61-V63 PolarHBondContact O-N 2.84Å
62	K	80.8	Confident	79.9	Confident	123 Å²	123	69.5 Å²	69.5	54%	0.535	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-59	134.4	176.3	-57.9	-167.3	-173	-132.6	0	110.5	E56	E56-K62 VanDerWaalsContact CD-CE 3.46Å; E56-K62 VanDerWaalsContact OE1-CE 3.27Å; E56-K62 WeakPolarHBondContact OE1-CE 3.48Å; E56-K62 IonicContact OE1-NZ 3.34Å; E56-K62 PolarHBondContact OE1-NZ 3.13Å; E56-K62 VanDerWaalsContact OE2-CE 3.26Å; E56-K62 WeakPolarHBondContact OE2-CE 3.48Å; E56-K62 IonicContact OE2-NZ 3.07Å; E56-K62 PolarHBondContact OE2-NZ 2.71Å
63	V	80	Confident	79.6	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.018	38%	0.379	C	S	.	.			trans	-97.7	-35.6	-178.9	172.9	0	0	0	0	110.7	N52 F55 S61 I73 T74 F78	N52-V63 PolarHBondContact OD1-N 3.09Å; F55-V63 HydrophobicContact CD2-CG2 3.62Å; F55-V63 HydrophobicContact CE2-CG2 3.91Å; S61-V63 PolarHBondContact O-N 2.84Å; V63-I73 HydrophobicContact CG1-CG2 3.75Å; V63-T74 PolarHBondContact O-N 3.38Å; V63-T74 VanDerWaalsContact O-N 3.08Å; V63-F78 HydrophobicContact CG1-CB 3.66Å; V63-F78 HydrophobicContact CG1-CD2 3.95Å; V63-F78 HydrophobicContact CG1-CG 4.19Å; V63-F78 HydrophobicContact CG2-CB 4.31Å; V63-F78 HydrophobicContact CG2-CD2 4.32Å
64	L	80.5	Confident	79.4	Confident	28 Å²	28	69.1 Å²	69.1	15%	0.147	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.3	177	-73.7	-177	0	0	0	112.2	I48 R49 N52 T71 Q72 I73	I48-L64 HydrophobicContact CG2-CD1 4.15Å; I48-L64 HydrophobicContact CG2-CD2 3.49Å; I48-L64 VanDerWaalsContact CG2-CD2 3.49Å; I48-L64 HydrophobicContact CG2-CG 3.87Å; R49-L64 HydrophobicContact CG-CD1 3.99Å; N52-L64 HydrophobicContact CB-CB 4.34Å; N52-L64 HydrophobicContact CB-CD1 3.86Å; N52-L64 HydrophobicContact CB-CG 3.91Å; N52-L64 PolarHBondContact OD1-N 3.33Å; L64-T71 HydrophobicContact CD1-CG2 4.08Å; L64-T71 HydrophobicContact CD2-CG2 3.5Å; L64-T71 VanDerWaalsContact CD2-CG2 3.5Å; L64-T71 HydrophobicContact CG-CG2 4.34Å; L64-Q72 WeakPolarHBondContact CA-O 3.44Å; L64-I73 HydrophobicContact CD2-CG1 4.03Å
65	R	76.7	Confident	79.1	Confident	140 Å²	140	67.6 Å²	67.6	53%	0.528	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.6	158.7	-148.1	178.6	-172.4	-151.8	-2.2	107.8	E67 Q72	R65-E67 WeakPolarHBondContact CD-OE2 3.49Å; R65-E67 HydrophobicContact CG-CG 4.15Å; R65-E67 IonicContact CZ-OE1 3.18Å; R65-E67 IonicContact CZ-OE2 3.83Å; R65-E67 IonicContact NE-OE1 3.03Å; R65-E67 PolarHBondContact NE-OE1 3.38Å; R65-E67 IonicContact NE-OE2 3.67Å; R65-E67 PolarHBondContact NE-OE2 3.34Å; R65-E67 IonicContact NH1-OE1 2.67Å; R65-E67 PolarHBondContact NH1-OE1 3.32Å; R65-E67 IonicContact NH1-OE2 2.88Å; R65-E67 PolarHBondContact NH1-OE2 2.92Å; R65-E67 IonicContact NH2-OE1 3.48Å; R65-E67 PolarHBondContact NH2-OE1 3.41Å; R65-Q72 HydrophobicContact CB-CB 4.4Å; R65-Q72 PolarHBondContact N-O 2.85Å; R65-Q72 PolarHBondContact O-N 3.32Å
66	V	73.9	Confident	78.9	Confident	88 Å²	88	71.8 Å²	71.8	53%	0.533	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.2	171.9	-179.4	0	0	0	0	107.2	E70	V66-E70 WeakPolarHBondContact CA-O 3.25Å
67	E	66.1	Low	78.8	Confident	68 Å²	68	68.4 Å²	68.4	32%	0.318	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.9	-179.2	-68.4	-171.4	126.6	0	0	108.8	R65 G69 E70	R65-E67 WeakPolarHBondContact CD-OE2 3.49Å; R65-E67 HydrophobicContact CG-CG 4.15Å; R65-E67 IonicContact CZ-OE1 3.18Å; R65-E67 IonicContact CZ-OE2 3.83Å; R65-E67 IonicContact NE-OE1 3.03Å; R65-E67 PolarHBondContact NE-OE1 3.38Å; R65-E67 IonicContact NE-OE2 3.67Å; R65-E67 PolarHBondContact NE-OE2 3.34Å; R65-E67 IonicContact NH1-OE1 2.67Å; R65-E67 PolarHBondContact NH1-OE1 3.32Å; R65-E67 IonicContact NH1-OE2 2.88Å; R65-E67 PolarHBondContact NH1-OE2 2.92Å; R65-E67 IonicContact NH2-OE1 3.48Å; R65-E67 PolarHBondContact NH2-OE1 3.41Å; E67-G69 PolarHBondContact O-N 2.94Å; E67-E70 PolarHBondContact N-O 2.87Å; E67-E70 VanDerWaalsContact N-O 3.16Å; E67-E70 PolarHBondContact O-N 3.48Å
68	N	61.8	Low	78.7	Confident	170 Å²	170	65.1 Å²	65.1	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	16.1	-177.6	-55.9	-21.1	0	0	0	116	E70	N68-E70 VanDerWaalsContact C-N 3.32Å
69	G	67.3	Low	78.7	Confident	55 Å²	55	63.7 Å²	63.7	57%	0.567	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-8.1	-174.8	0	0	0	0	0	114.2	E67	E67-G69 PolarHBondContact O-N 2.94Å
70	E	68.5	Low	78.8	Confident	81 Å²	81	63.4 Å²	63.4	38%	0.379	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145.7	172.8	-63.7	-171.9	155.3	0	0	110.7	V37 V66 E67 N68	V37-E70 HydrophobicContact CG1-CB 4.2Å; V37-E70 HydrophobicContact CG1-CG 4.38Å; V66-E70 WeakPolarHBondContact CA-O 3.25Å; E67-E70 PolarHBondContact N-O 2.87Å; E67-E70 VanDerWaalsContact N-O 3.16Å; E67-E70 PolarHBondContact O-N 3.48Å; N68-E70 VanDerWaalsContact C-N 3.32Å
71	T	73.6	Confident	78.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.9	179.8	-63	0	0	0	0	108.8	V38 R49 L64	V38-T71 WeakPolarHBondContact CB-O 3.47Å; V38-T71 PolarHBondContact N-O 2.67Å; R49-T71 PolarHBondContact NH2-OG1 3.27Å; L64-T71 HydrophobicContact CD1-CG2 4.08Å; L64-T71 HydrophobicContact CD2-CG2 3.5Å; L64-T71 VanDerWaalsContact CD2-CG2 3.5Å; L64-T71 HydrophobicContact CG-CG2 4.34Å
72	Q	77.3	Confident	79.2	Confident	37 Å²	37	60.3 Å²	60.3	17%	0.173	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128	-169.6	-71.2	-174.8	8.8	0	0	111	T35 F36 V37 L64 R65	T35-Q72 HydrophobicContact CG2-CB 3.67Å; T35-Q72 HydrophobicContact CG2-CG 4.12Å; F36-Q72 WeakPolarHBondContact O-CA 3.38Å; V37-Q72 HydrophobicContact CG2-CG 4.06Å; L64-Q72 WeakPolarHBondContact CA-O 3.44Å; R65-Q72 HydrophobicContact CB-CB 4.4Å; R65-Q72 PolarHBondContact N-O 2.85Å; R65-Q72 PolarHBondContact O-N 3.32Å
73	I	80.8	Confident	79.7	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.3	169.4	-67.7	162.1	0	0	0	109.2	T35 F36 V38 I48 V63 L64 M75 F78	T35-I73 CarbonylContact C-O 3.52Å; T35-I73 WeakPolarHBondContact CA-O 3.32Å; F36-I73 HydrophobicContact CB-CB 4.36Å; F36-I73 PolarHBondContact N-O 3.01Å; F36-I73 PolarHBondContact O-N 3.24Å; V38-I73 HydrophobicContact CG2-CD1 3.93Å; V38-I73 HydrophobicContact CG2-CG1 4.2Å; I48-I73 HydrophobicContact CD1-CD1 3.43Å; I48-I73 VanDerWaalsContact CD1-CD1 3.43Å; I48-I73 HydrophobicContact CD1-CG1 4.26Å; I48-I73 HydrophobicContact CG1-CD1 4.06Å; I48-I73 HydrophobicContact CG2-CD1 3.99Å; I48-I73 HydrophobicContact CG2-CG1 3.82Å; V63-I73 HydrophobicContact CG1-CG2 3.75Å; L64-I73 HydrophobicContact CD2-CG1 4.03Å; I73-M75 PolarHBondContact O-N 2.82Å; I73-F78 HydrophobicContact CG2-CB 4.13Å
74	T	83.2	Confident	80.2	Confident	36 Å²	36	63.3 Å²	63.3	22%	0.221	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	106.1	161.5	-66.4	0	0	0	0	109.2	V63 N76 S77 F78	V63-T74 PolarHBondContact O-N 3.38Å; V63-T74 VanDerWaalsContact O-N 3.08Å; T74-N76 VanDerWaalsContact C-N 3.28Å; T74-N76 PolarHBondContact O-N 3.41Å; T74-S77 WeakPolarHBondContact CB-OG 3.29Å; T74-S77 PolarHBondContact O-N 2.86Å; T74-S77 PolarHBondContact O-OG 2.93Å; T74-F78 PolarHBondContact O-N 2.74Å
75	M	82.9	Confident	80.8	Confident	61 Å²	61	64.7 Å²	64.7	30%	0.3	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-37.3	-172.9	-173.3	58.1	171.8	0	0	112.4	E34 F36 I73 S77 F78 V79	E34-M75 HydrophobicContact CB-CB 4.36Å; E34-M75 WeakPolarHBondContact O-CB 3.37Å; E34-M75 PolarHBondContact O-N 2.71Å; F36-M75 HydrophobicContact CD2-CB 4.1Å; F36-M75 HydrophobicContact CD2-CG 4.46Å; F36-M75 HydrophobicContact CD2-SD 4.45Å; F36-M75 HydrophobicContact CE2-CB 3.94Å; F36-M75 HydrophobicContact CE2-CG 3.96Å; F36-M75 HydrophobicContact CE2-SD 4.18Å; I73-M75 PolarHBondContact O-N 2.82Å; M75-S77 PolarHBondContact O-N 3.43Å; M75-F78 WeakPolarHBondContact O-CB 3.48Å; M75-F78 PolarHBondContact O-N 3.38Å; M75-F78 HydrophobicContact SD-CD1 4.08Å; M75-V79 HydrophobicContact CE-CG2 3.84Å; M75-V79 HydrophobicContact CG-CG2 4.33Å; M75-V79 WeakPolarHBondContact O-CG2 3.33Å; M75-V79 PolarHBondContact O-N 2.95Å; M75-V79 HydrophobicContact SD-CG2 4.13Å
76	N	84.4	Confident	81.6	Confident	96 Å²	96	61.6 Å²	61.6	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-38.5	-179.8	-69.1	-31.7	0	0	0	113	H32 T74 D80	H32-N76 PolarHBondContact O-ND2 2.8Å; T74-N76 VanDerWaalsContact C-N 3.28Å; T74-N76 PolarHBondContact O-N 3.41Å; N76-D80 VanDerWaalsContact O-CB 3.3Å; N76-D80 WeakPolarHBondContact O-CB 3.24Å; N76-D80 PolarHBondContact O-N 2.89Å; N76-D80 VanDerWaalsContact O-N 3.08Å
77	S	85.1	Confident	82.5	Confident	23 Å²	23	60.4 Å²	60.4	16%	0.161	33%	0.332	C	S	.	.	H	α-helix	trans	-79	-27.8	175.6	62.2	0	0	0	0	112.3	T74 M75 G81	T74-S77 WeakPolarHBondContact CB-OG 3.29Å; T74-S77 PolarHBondContact O-N 2.86Å; T74-S77 PolarHBondContact O-OG 2.93Å; M75-S77 PolarHBondContact O-N 3.43Å; S77-G81 PolarHBondContact O-N 3.47Å
78	F	86	Confident	83.8	Confident	63 Å²	63	59.7 Å²	59.7	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-53.1	168.7	-176.4	-120.9	0	0	0	111.5	I51 F55 V63 I73 T74 M75 G81 V82	I51-F78 HydrophobicContact CG2-CE2 4.12Å; F55-F78 HydrophobicContact CE2-CD2 4.27Å; F55-F78 HydrophobicContact CZ-CE2 4.44Å; V63-F78 HydrophobicContact CG1-CB 3.66Å; V63-F78 HydrophobicContact CG1-CD2 3.95Å; V63-F78 HydrophobicContact CG1-CG 4.19Å; V63-F78 HydrophobicContact CG2-CB 4.31Å; V63-F78 HydrophobicContact CG2-CD2 4.32Å; I73-F78 HydrophobicContact CG2-CB 4.13Å; T74-F78 PolarHBondContact O-N 2.74Å; M75-F78 WeakPolarHBondContact O-CB 3.48Å; M75-F78 PolarHBondContact O-N 3.38Å; M75-F78 HydrophobicContact SD-CD1 4.08Å; F78-G81 PolarHBondContact O-N 3.13Å; F78-V82 HydrophobicContact CD2-CG2 4.17Å; F78-V82 HydrophobicContact CE1-CG2 4.23Å; F78-V82 HydrophobicContact CE2-CG2 3.79Å; F78-V82 HydrophobicContact CZ-CG2 3.83Å; F78-V82 WeakPolarHBondContact O-CG2 3.45Å; F78-V82 PolarHBondContact O-N 3.14Å
79	V	87.6	Confident	85.3	Confident	62 Å²	62	57.5 Å²	57.5	38%	0.376	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-43.8	-178.8	172.8	0	0	0	0	111.4	M75 V82 L83	M75-V79 HydrophobicContact CE-CG2 3.84Å; M75-V79 HydrophobicContact CG-CG2 4.33Å; M75-V79 WeakPolarHBondContact O-CG2 3.33Å; M75-V79 PolarHBondContact O-N 2.95Å; M75-V79 HydrophobicContact SD-CG2 4.13Å; V79-V82 PolarHBondContact O-N 2.98Å; V79-L83 HydrophobicContact CG1-CD1 3.88Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 VanDerWaalsContact O-CG 3.25Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.28Å
80	D	88	Confident	86.6	Confident	61 Å²	61	63 Å²	63	33%	0.326	32%	0.318	S	S	.	.	H	α-helix	trans	-62.3	-42.3	174.3	172.4	58.2	0	0	0	112.3	N76 L83 K84	N76-D80 VanDerWaalsContact O-CB 3.3Å; N76-D80 WeakPolarHBondContact O-CB 3.24Å; N76-D80 PolarHBondContact O-N 2.89Å; N76-D80 VanDerWaalsContact O-N 3.08Å; D80-L83 PolarHBondContact O-N 2.86Å; D80-K84 VanDerWaalsContact CG-NZ 3.27Å; D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 VanDerWaalsContact O-CG 3.28Å; D80-K84 WeakPolarHBondContact O-CG 3.39Å; D80-K84 PolarHBondContact O-N 3.01Å; D80-K84 WeakPolarHBondContact OD1-CE 3.49Å; D80-K84 IonicContact OD1-NZ 2.68Å; D80-K84 PolarHBondContact OD1-NZ 3.06Å; D80-K84 VanDerWaalsContact OD1-NZ 3.11Å; D80-K84 WeakPolarHBondContact OD2-CE 3.48Å; D80-K84 IonicContact OD2-NZ 3.57Å; D80-K84 PolarHBondContact OD2-NZ 3.49Å
81	G	88	Confident	87.9	Confident	2 Å²	2	66.8 Å²	66.8	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-44.3	173.8	0	0	0	0	0	113.1	S77 F78 K84 L85	S77-G81 PolarHBondContact O-N 3.47Å; F78-G81 PolarHBondContact O-N 3.13Å; G81-K84 PolarHBondContact O-N 3.45Å; G81-L85 WeakPolarHBondContact O-CB 3.32Å; G81-L85 PolarHBondContact O-N 2.88Å
82	V	90.3	Very high	88.9	Confident	44 Å²	44	69.9 Å²	69.9	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-63.5	-43	174.5	170.7	0	0	0	0	111.4	F55 F78 V79 L85 I86	F55-V82 HydrophobicContact CE2-CG2 4.48Å; F55-V82 HydrophobicContact CZ-CG2 3.82Å; F78-V82 HydrophobicContact CD2-CG2 4.17Å; F78-V82 HydrophobicContact CE1-CG2 4.23Å; F78-V82 HydrophobicContact CE2-CG2 3.79Å; F78-V82 HydrophobicContact CZ-CG2 3.83Å; F78-V82 WeakPolarHBondContact O-CG2 3.45Å; F78-V82 PolarHBondContact O-N 3.14Å; V79-V82 PolarHBondContact O-N 2.98Å; V82-L85 PolarHBondContact O-N 3.46Å; V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.39Å; V82-I86 WeakPolarHBondContact O-CB 3.42Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.23Å
83	L	91.5	Very high	89.8	Confident	100 Å²	100	70.7 Å²	70.7	52%	0.524	36%	0.36	S	S	.	.	H	α-helix	trans	-65.1	-39.4	177.1	-74.1	170.9	0	0	0	112	V79 D80 S87	V79-L83 HydrophobicContact CG1-CD1 3.88Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 VanDerWaalsContact O-CG 3.25Å; V79-L83 WeakPolarHBondContact O-CG 3.36Å; V79-L83 PolarHBondContact O-N 3.28Å; D80-L83 PolarHBondContact O-N 2.86Å; L83-S87 VanDerWaalsContact O-CB 3.24Å; L83-S87 WeakPolarHBondContact O-CB 3.29Å; L83-S87 PolarHBondContact O-N 3.32Å; L83-S87 PolarHBondContact O-OG 2.97Å
84	K	91.5	Very high	90.5	Very high	90 Å²	90	74.6 Å²	74.6	39%	0.391	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-42.9	173	-76.4	166.9	175.4	164.9	0	111.7	Y60 D80 G81 S87 S88	Y60-K84 HydrophobicContact CD1-CB 4.08Å; Y60-K84 HydrophobicContact CD1-CD 4.46Å; Y60-K84 HydrophobicContact CE1-CB 3.71Å; D80-K84 VanDerWaalsContact CG-NZ 3.27Å; D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 VanDerWaalsContact O-CG 3.28Å; D80-K84 WeakPolarHBondContact O-CG 3.39Å; D80-K84 PolarHBondContact O-N 3.01Å; D80-K84 WeakPolarHBondContact OD1-CE 3.49Å; D80-K84 IonicContact OD1-NZ 2.68Å; D80-K84 PolarHBondContact OD1-NZ 3.06Å; D80-K84 VanDerWaalsContact OD1-NZ 3.11Å; D80-K84 WeakPolarHBondContact OD2-CE 3.48Å; D80-K84 IonicContact OD2-NZ 3.57Å; D80-K84 PolarHBondContact OD2-NZ 3.49Å; G81-K84 PolarHBondContact O-N 3.45Å; K84-S87 PolarHBondContact O-N 3.45Å; K84-S88 VanDerWaalsContact O-CB 3.27Å; K84-S88 WeakPolarHBondContact O-CB 3.48Å; K84-S88 PolarHBondContact O-N 3.39Å
85	L	92.3	Very high	91	Very high	57 Å²	57	75.5 Å²	75.5	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-49.9	174.3	175.9	58.4	0	0	0	112	F55 M58 Y60 G81 V82 S87 S88 Y89	F55-L85 HydrophobicContact CE1-CD2 4Å; M58-L85 HydrophobicContact CE-CD1 3.62Å; M58-L85 HydrophobicContact SD-CD1 3.81Å; Y60-L85 HydrophobicContact CE2-CB 4.02Å; Y60-L85 HydrophobicContact CE2-CD1 4.26Å; G81-L85 WeakPolarHBondContact O-CB 3.32Å; G81-L85 PolarHBondContact O-N 2.88Å; V82-L85 PolarHBondContact O-N 3.46Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.29Å; L85-S88 PolarHBondContact O-N 2.84Å; L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.14Å
86	I	93.2	Very high	91.7	Very high	75 Å²	75	78.9 Å²	78.9	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-61.1	-41.2	176.7	-68.7	166.8	0	0	0	110.9	V82 Y89 R90	V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.39Å; V82-I86 WeakPolarHBondContact O-CB 3.42Å; V82-I86 VanDerWaalsContact O-CG1 3.29Å; V82-I86 WeakPolarHBondContact O-CG1 3.43Å; V82-I86 PolarHBondContact O-N 3.23Å; I86-Y89 PolarHBondContact O-N 3.27Å; I86-R90 WeakPolarHBondContact O-CB 3.27Å; I86-R90 WeakPolarHBondContact O-CG 3.37Å; I86-R90 PolarHBondContact O-N 2.9Å
87	S	93.5	Very high	92.2	Very high	62 Å²	62	79.9 Å²	79.9	43%	0.434	40%	0.401	S	S	.	.	H	α-helix	trans	-67.1	-39.1	178	-60.6	0	0	0	0	112.4	L83 K84 L85 K91	L83-S87 VanDerWaalsContact O-CB 3.24Å; L83-S87 WeakPolarHBondContact O-CB 3.29Å; L83-S87 PolarHBondContact O-N 3.32Å; L83-S87 PolarHBondContact O-OG 2.97Å; K84-S87 PolarHBondContact O-N 3.45Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.29Å; S87-K91 WeakPolarHBondContact O-CG 3.43Å; S87-K91 PolarHBondContact O-N 2.9Å; S87-K91 VanDerWaalsContact O-N 3.12Å
88	S	93	Very high	92.7	Very high	54 Å²	54	84.8 Å²	84.8	38%	0.378	42%	0.421	S	S	.	.	H	α-helix	trans	-66.7	-45.7	174.9	-171.7	0	0	0	0	111.2	Y60 K84 L85 R90 K91 S92	Y60-S88 WeakPolarHBondContact OH-CB 3.43Å; K84-S88 VanDerWaalsContact O-CB 3.27Å; K84-S88 WeakPolarHBondContact O-CB 3.48Å; K84-S88 PolarHBondContact O-N 3.39Å; L85-S88 PolarHBondContact O-N 2.84Å; S88-R90 PolarHBondContact O-N 3.5Å; S88-K91 PolarHBondContact O-N 3.33Å; S88-S92 WeakPolarHBondContact O-CB 3.22Å; S88-S92 PolarHBondContact O-N 2.66Å
89	Y	93.7	Very high	93.2	Very high	124 Å²	124	87.2 Å²	87.2	49%	0.486	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-43.9	176.4	-178.4	-107.8	0	0	0	112.4	L85 I86 S92 L93	L85-Y89 WeakPolarHBondContact O-CB 3.47Å; L85-Y89 PolarHBondContact O-N 3.14Å; I86-Y89 PolarHBondContact O-N 3.27Å; Y89-S92 WeakPolarHBondContact O-CB 3.26Å; Y89-S92 PolarHBondContact O-N 2.63Å; Y89-L93 HydrophobicContact CD1-CD1 4.01Å; Y89-L93 HydrophobicContact CD1-CG 4.44Å; Y89-L93 HydrophobicContact CE1-CD1 3.47Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.47Å; Y89-L93 HydrophobicContact CE1-CG 4.06Å; Y89-L93 HydrophobicContact CE2-CD2 4.48Å; Y89-L93 HydrophobicContact CE2-CG 4.38Å; Y89-L93 WeakPolarHBondContact O-CG 3.31Å; Y89-L93 PolarHBondContact O-N 2.83Å
90	R	94.7	Very high	93.6	Very high	170 Å²	170	88.5 Å²	88.5	64%	0.642	44%	0.437	S	S	*	.	H	α-helix	trans	-60.6	-45.6	173.4	-76	178	175.7	-168.3	-1.5	112.4	I86 S88 S92 L93 N94	I86-R90 WeakPolarHBondContact O-CB 3.27Å; I86-R90 WeakPolarHBondContact O-CG 3.37Å; I86-R90 PolarHBondContact O-N 2.9Å; S88-R90 PolarHBondContact O-N 3.5Å; R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.12Å; R90-L93 PolarHBondContact O-N 3.46Å; R90-N94 PolarHBondContact O-N 2.78Å; R90-N94 PolarHBondContact O-OD1 3.46Å
91	K	95.6	Very high	94	Very high	160 Å²	160	91 Å²	91	70%	0.696	45%	0.45	S	S	*	.	H	α-helix	trans	-60.7	-42.3	175.1	-73.2	176.4	179.7	-175	0	111.9	S87 S88 N94 S95	S87-K91 WeakPolarHBondContact O-CG 3.43Å; S87-K91 PolarHBondContact O-N 2.9Å; S87-K91 VanDerWaalsContact O-N 3.12Å; S88-K91 PolarHBondContact O-N 3.33Å; K91-N94 PolarHBondContact O-N 2.89Å; K91-S95 WeakPolarHBondContact O-CB 3.44Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.43Å
92	S	94.9	Very high	94.4	Very high	68 Å²	68	93.4 Å²	93.4	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-48.3	176.9	-175.5	0	0	0	0	111.8	S88 Y89 R90 N94 S95 R96	S88-S92 WeakPolarHBondContact O-CB 3.22Å; S88-S92 PolarHBondContact O-N 2.66Å; Y89-S92 WeakPolarHBondContact O-CB 3.26Å; Y89-S92 PolarHBondContact O-N 2.63Å; R90-S92 VanDerWaalsContact C-N 3.32Å; R90-S92 PolarHBondContact O-N 3.12Å; S92-N94 PolarHBondContact O-N 3.29Å; S92-S95 PolarHBondContact O-N 3.38Å; S92-S95 PolarHBondContact O-OG 3.42Å; S92-R96 PolarHBondContact O-N 3.07Å
93	L	94.9	Very high	94.7	Very high	53 Å²	53	97.2 Å²	97.2	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-56.1	-51.9	174.8	-75.9	-179.3	0	0	0	112.2	Y89 R90 S95 R96 E97	Y89-L93 HydrophobicContact CD1-CD1 4.01Å; Y89-L93 HydrophobicContact CD1-CG 4.44Å; Y89-L93 HydrophobicContact CE1-CD1 3.47Å; Y89-L93 VanDerWaalsContact CE1-CD1 3.47Å; Y89-L93 HydrophobicContact CE1-CG 4.06Å; Y89-L93 HydrophobicContact CE2-CD2 4.48Å; Y89-L93 HydrophobicContact CE2-CG 4.38Å; Y89-L93 WeakPolarHBondContact O-CG 3.31Å; Y89-L93 PolarHBondContact O-N 2.83Å; R90-L93 PolarHBondContact O-N 3.46Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.92Å; L93-R96 WeakPolarHBondContact O-CB 3.44Å; L93-R96 PolarHBondContact O-N 2.92Å; L93-E97 PolarHBondContact O-N 3.27Å
94	N	95.4	Very high	94.9	Very high	105 Å²	105	97.8 Å²	97.8	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-58.6	-42.8	178.9	-68.9	28.6	0	0	0	111.7	R90 K91 S92 R96 E97 E98	R90-N94 PolarHBondContact O-N 2.78Å; R90-N94 PolarHBondContact O-OD1 3.46Å; K91-N94 PolarHBondContact O-N 2.89Å; S92-N94 PolarHBondContact O-N 3.29Å; N94-R96 VanDerWaalsContact C-N 3.29Å; N94-R96 PolarHBondContact O-N 3.36Å; N94-E97 PolarHBondContact O-N 2.77Å; N94-E98 PolarHBondContact O-N 3.36Å
95	S	95.4	Very high	95.1	Very high	56 Å²	56	100 Å²	100	39%	0.392	48%	0.481	S	S	.	.	H	α-helix	trans	-66.5	-31	177.1	71	0	0	0	0	112.9	K91 S92 L93 I99	K91-S95 WeakPolarHBondContact O-CB 3.44Å; K91-S95 PolarHBondContact O-N 2.98Å; K91-S95 PolarHBondContact O-OG 3.43Å; S92-S95 PolarHBondContact O-N 3.38Å; S92-S95 PolarHBondContact O-OG 3.42Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.92Å; S95-I99 WeakPolarHBondContact O-CD1 3.47Å; S95-I99 VanDerWaalsContact O-CG1 3.23Å; S95-I99 WeakPolarHBondContact O-CG1 3.29Å; S95-I99 PolarHBondContact O-N 3.12Å
96	R	96.2	Very high	95.3	Very high	131 Å²	131	101.3 Å²	101.3	49%	0.494	49%	0.492	S	S	.	.	H	α-helix	trans	-72.8	-42.1	175.9	-159.4	-172.3	74.4	-144.7	-7.5	111.2	S92 L93 N94 I99 E100	S92-R96 PolarHBondContact O-N 3.07Å; L93-R96 WeakPolarHBondContact O-CB 3.44Å; L93-R96 PolarHBondContact O-N 2.92Å; N94-R96 VanDerWaalsContact C-N 3.29Å; N94-R96 PolarHBondContact O-N 3.36Å; R96-I99 PolarHBondContact O-N 3.21Å; R96-E100 WeakPolarHBondContact CD-OE1 3.29Å; R96-E100 WeakPolarHBondContact CG-OE1 3.23Å; R96-E100 IonicContact CZ-OE1 3.24Å; R96-E100 IonicContact NE-OE1 2.71Å; R96-E100 PolarHBondContact NE-OE1 2.99Å; R96-E100 IonicContact NH2-OE1 3.13Å; R96-E100 WeakPolarHBondContact O-CB 3.43Å; R96-E100 VanDerWaalsContact O-CG 3.29Å; R96-E100 WeakPolarHBondContact O-CG 3.36Å; R96-E100 PolarHBondContact O-N 3.4Å
97	E	96	Very high	95.5	Very high	118 Å²	118	102.3 Å²	102.3	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-60.6	-43.2	173.9	-176.6	174.5	-164.4	0	0	111.3	L93 N94 I99 E100 L101	L93-E97 PolarHBondContact O-N 3.27Å; N94-E97 PolarHBondContact O-N 2.77Å; E97-I99 PolarHBondContact O-N 3.46Å; E97-E100 PolarHBondContact O-N 3.41Å; E97-L101 HydrophobicContact CG-CD1 4.26Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.4Å; E97-L101 PolarHBondContact O-N 3.12Å
98	E	95.6	Very high	95.6	Very high	126 Å²	126	102.5 Å²	102.5	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-61.1	-41.4	173.1	-177.8	175	-171.4	0	0	112.2	N94 N102	N94-E98 PolarHBondContact O-N 3.36Å; E98-N102 WeakPolarHBondContact CG-ND2 3.37Å; E98-N102 WeakPolarHBondContact O-CB 3.48Å; E98-N102 PolarHBondContact O-N 2.79Å; E98-N102 PolarHBondContact O-ND2 3.09Å
99	I	95.7	Very high	95.8	Very high	114 Å²	114	103.3 Å²	103.3	59%	0.585	50%	0.496	S	S	*	.	H	α-helix	trans	-66.7	-41.3	175.6	-71	164.5	0	0	0	111.4	S95 R96 E97 N102 F103	S95-I99 WeakPolarHBondContact O-CD1 3.47Å; S95-I99 VanDerWaalsContact O-CG1 3.23Å; S95-I99 WeakPolarHBondContact O-CG1 3.29Å; S95-I99 PolarHBondContact O-N 3.12Å; R96-I99 PolarHBondContact O-N 3.21Å; E97-I99 PolarHBondContact O-N 3.46Å; I99-N102 PolarHBondContact O-N 2.82Å; I99-F103 VanDerWaalsContact O-CB 3.29Å; I99-F103 WeakPolarHBondContact O-CB 3.36Å; I99-F103 PolarHBondContact O-N 2.97Å
100	E	96.7	Very high	96	Very high	89 Å²	89	101.9 Å²	101.9	42%	0.416	50%	0.497	S	S	.	.	H	α-helix	trans	-64	-43.2	177.5	-74.3	167.4	-161.8	0	0	111.2	R96 E97 F103 H104	R96-E100 WeakPolarHBondContact CD-OE1 3.29Å; R96-E100 WeakPolarHBondContact CG-OE1 3.23Å; R96-E100 IonicContact CZ-OE1 3.24Å; R96-E100 IonicContact NE-OE1 2.71Å; R96-E100 PolarHBondContact NE-OE1 2.99Å; R96-E100 IonicContact NH2-OE1 3.13Å; R96-E100 WeakPolarHBondContact O-CB 3.43Å; R96-E100 VanDerWaalsContact O-CG 3.29Å; R96-E100 WeakPolarHBondContact O-CG 3.36Å; R96-E100 PolarHBondContact O-N 3.4Å; E97-E100 PolarHBondContact O-N 3.41Å; E100-F103 PolarHBondContact O-N 3.42Å; E100-H104 PolarHBondContact O-CD2 3.07Å; E100-H104 PolarHBondContact O-N 3.05Å
101	L	96.1	Very high	96	Very high	112 Å²	112	96.5 Å²	96.5	59%	0.586	48%	0.482	S	S	*	.	H	α-helix	trans	-64.4	-44	173.8	-71.7	170.7	0	0	0	112.5	E97 F103 H104 R105	E97-L101 HydrophobicContact CG-CD1 4.26Å; E97-L101 WeakPolarHBondContact O-CB 3.46Å; E97-L101 VanDerWaalsContact O-CG 3.31Å; E97-L101 WeakPolarHBondContact O-CG 3.4Å; E97-L101 PolarHBondContact O-N 3.12Å; L101-F103 VanDerWaalsContact C-N 3.35Å; L101-H104 PolarHBondContact O-N 2.96Å; L101-R105 PolarHBondContact O-N 3.37Å
102	N	95.3	Very high	96.1	Very high	53 Å²	53	94.2 Å²	94.2	28%	0.283	47%	0.474	S	S	.	.	H	α-helix	trans	-64.4	-39.1	175.4	-80.6	-63	0	0	0	111.8	E98 I99 R105 V106	E98-N102 WeakPolarHBondContact CG-ND2 3.37Å; E98-N102 WeakPolarHBondContact O-CB 3.48Å; E98-N102 PolarHBondContact O-N 2.79Å; E98-N102 PolarHBondContact O-ND2 3.09Å; I99-N102 PolarHBondContact O-N 2.82Å; N102-R105 PolarHBondContact O-N 2.84Å; N102-R105 VanDerWaalsContact OD1-CZ 3.22Å; N102-R105 PolarHBondContact OD1-NH1 2.98Å; N102-R105 PolarHBondContact OD1-NH2 2.82Å; N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.44Å
103	F	96.7	Very high	96.1	Very high	124 Å²	124	95.3 Å²	95.3	54%	0.544	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-47.1	175	177.7	-93.6	0	0	0	111.5	I99 E100 L101 R105 V106 Q107	I99-F103 VanDerWaalsContact O-CB 3.29Å; I99-F103 WeakPolarHBondContact O-CB 3.36Å; I99-F103 PolarHBondContact O-N 2.97Å; E100-F103 PolarHBondContact O-N 3.42Å; L101-F103 VanDerWaalsContact C-N 3.35Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.77Å; F103-V106 PolarHBondContact O-N 3.32Å; F103-Q107 VanDerWaalsContact O-CB 3.26Å; F103-Q107 WeakPolarHBondContact O-CB 3.33Å; F103-Q107 PolarHBondContact O-N 3.19Å
104	H	95.9	Very high	96.2	Very high	113 Å²	113	97.4 Å²	97.4	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-36	177.2	-74.8	-47.7	0	0	0	113.1	E100 L101 Q107 S108	E100-H104 PolarHBondContact O-CD2 3.07Å; E100-H104 PolarHBondContact O-N 3.05Å; L101-H104 PolarHBondContact O-N 2.96Å; H104-Q107 PolarHBondContact ND1-OE1 3.02Å; H104-S108 WeakPolarHBondContact O-CB 3.4Å; H104-S108 PolarHBondContact O-N 3.26Å
105	R	96.7	Very high	96.3	Very high	135 Å²	135	99.4 Å²	99.4	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-54.7	171.9	-170.4	179	68.3	-113.3	-7	111.1	L101 N102 F103 Q107 S108 D109	L101-R105 PolarHBondContact O-N 3.37Å; N102-R105 PolarHBondContact O-N 2.84Å; N102-R105 VanDerWaalsContact OD1-CZ 3.22Å; N102-R105 PolarHBondContact OD1-NH1 2.98Å; N102-R105 PolarHBondContact OD1-NH2 2.82Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.77Å; R105-Q107 VanDerWaalsContact C-N 3.25Å; R105-Q107 PolarHBondContact O-N 2.95Å; R105-S108 WeakPolarHBondContact O-CA 3.49Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-N 2.9Å; R105-D109 PolarHBondContact O-N 3.03Å
106	V	95.9	Very high	96.3	Very high	86 Å²	86	101.5 Å²	101.5	52%	0.521	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-34.7	179.7	172.7	0	0	0	0	112.1	N102 F103 L110	N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.44Å; F103-V106 PolarHBondContact O-N 3.32Å; V106-L110 VanDerWaalsContact O-CB 3.28Å; V106-L110 WeakPolarHBondContact O-CB 3.26Å; V106-L110 PolarHBondContact O-N 2.83Å
107	Q	97.5	Very high	96.3	Very high	95 Å²	95	103 Å²	103	44%	0.444	50%	0.503	S	S	.	.	H	α-helix	trans	-65.8	-42.9	173.9	-171.2	179.6	26.4	0	0	111.8	F103 H104 R105 T111	F103-Q107 VanDerWaalsContact O-CB 3.26Å; F103-Q107 WeakPolarHBondContact O-CB 3.33Å; F103-Q107 PolarHBondContact O-N 3.19Å; H104-Q107 PolarHBondContact ND1-OE1 3.02Å; R105-Q107 VanDerWaalsContact C-N 3.25Å; R105-Q107 PolarHBondContact O-N 2.95Å; Q107-T111 WeakPolarHBondContact O-CG2 3.46Å; Q107-T111 PolarHBondContact O-N 2.98Å; Q107-T111 VanDerWaalsContact O-N 3.16Å
108	S	95.8	Very high	96.3	Very high	66 Å²	66	105.6 Å²	105.6	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-52.6	172.9	-179.9	0	0	0	0	111	H104 R105 L110 T111 Q112	H104-S108 WeakPolarHBondContact O-CB 3.4Å; H104-S108 PolarHBondContact O-N 3.26Å; R105-S108 WeakPolarHBondContact O-CA 3.49Å; R105-S108 WeakPolarHBondContact O-CB 3.44Å; R105-S108 PolarHBondContact O-N 2.9Å; S108-L110 VanDerWaalsContact C-N 3.3Å; S108-L110 PolarHBondContact O-N 3.42Å; S108-T111 PolarHBondContact O-N 2.98Å; S108-T111 PolarHBondContact O-OG1 3.35Å; S108-Q112 PolarHBondContact O-N 3.36Å
109	D	97.6	Very high	96.3	Very high	71 Å²	71	107.5 Å²	107.5	38%	0.38	51%	0.51	S	S	.	.	H	α-helix	trans	-56.1	-43.8	-179.8	-58.6	-22.4	0	0	0	111.2	R105 T111 Q112 V113	R105-D109 PolarHBondContact O-N 3.03Å; D109-T111 PolarHBondContact O-N 3.23Å; D109-Q112 WeakPolarHBondContact O-CB 3.41Å; D109-Q112 PolarHBondContact O-N 2.68Å; D109-Q112 VanDerWaalsContact O-N 3.16Å; D109-V113 WeakPolarHBondContact O-CG2 3.42Å; D109-V113 PolarHBondContact O-N 3.39Å
110	L	96.9	Very high	96.3	Very high	95 Å²	95	105.8 Å²	105.8	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175	178.7	61.3	0	0	0	112.2	V106 S108 Q112 V113 Q114	V106-L110 VanDerWaalsContact O-CB 3.28Å; V106-L110 WeakPolarHBondContact O-CB 3.26Å; V106-L110 PolarHBondContact O-N 2.83Å; S108-L110 VanDerWaalsContact C-N 3.3Å; S108-L110 PolarHBondContact O-N 3.42Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.41Å; L110-V113 PolarHBondContact O-N 2.81Å; L110-Q114 HydrophobicContact CD1-CG 4.42Å; L110-Q114 WeakPolarHBondContact O-CB 3.28Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.5Å; L110-Q114 PolarHBondContact O-N 3.02Å
111	T	96.1	Very high	96.3	Very high	56 Å²	56	105.7 Å²	105.7	34%	0.344	51%	0.506	S	S	.	.	H	α-helix	trans	-68.1	-30.3	176.4	70.5	0	0	0	0	112.6	Q107 S108 D109 K115	Q107-T111 WeakPolarHBondContact O-CG2 3.46Å; Q107-T111 PolarHBondContact O-N 2.98Å; Q107-T111 VanDerWaalsContact O-N 3.16Å; S108-T111 PolarHBondContact O-N 2.98Å; S108-T111 PolarHBondContact O-OG1 3.35Å; D109-T111 PolarHBondContact O-N 3.23Å; T111-K115 WeakPolarHBondContact O-CD 3.26Å; T111-K115 VanDerWaalsContact O-CG 3.25Å; T111-K115 WeakPolarHBondContact O-CG 3.4Å; T111-K115 PolarHBondContact O-N 3.16Å; T111-K115 VanDerWaalsContact O-N 3.09Å
112	Q	96.6	Very high	96.3	Very high	112 Å²	112	106.2 Å²	106.2	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-68.8	-47.6	174	-178.6	173.4	-11.5	0	0	111	S108 D109 L110 Q114 K115 L116	S108-Q112 PolarHBondContact O-N 3.36Å; D109-Q112 WeakPolarHBondContact O-CB 3.41Å; D109-Q112 PolarHBondContact O-N 2.68Å; D109-Q112 VanDerWaalsContact O-N 3.16Å; L110-Q112 VanDerWaalsContact C-N 3.3Å; L110-Q112 PolarHBondContact O-N 3.41Å; Q112-Q114 VanDerWaalsContact C-N 3.32Å; Q112-Q114 PolarHBondContact O-N 2.96Å; Q112-K115 WeakPolarHBondContact O-CB 3.41Å; Q112-K115 PolarHBondContact O-N 3.16Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; Q112-L116 HydrophobicContact CG-CD1 4.24Å; Q112-L116 WeakPolarHBondContact O-CG 3.46Å; Q112-L116 PolarHBondContact O-N 3.45Å
113	V	95.4	Very high	96.3	Very high	92 Å²	92	106.8 Å²	106.8	56%	0.558	51%	0.509	S	S	*	.	H	α-helix	trans	-59.9	-41.2	175.4	172.4	0	0	0	0	111.2	D109 L110 K115 L116 Y117	D109-V113 WeakPolarHBondContact O-CG2 3.42Å; D109-V113 PolarHBondContact O-N 3.39Å; L110-V113 PolarHBondContact O-N 2.81Å; V113-K115 PolarHBondContact O-N 2.99Å; V113-L116 PolarHBondContact O-N 2.88Å; V113-Y117 WeakPolarHBondContact O-CB 3.28Å; V113-Y117 PolarHBondContact O-N 3.45Å
114	Q	96.8	Very high	96.2	Very high	97 Å²	97	105 Å²	105	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-37.6	175.2	-74	175.5	2.9	0	0	113.2	L110 Q112 R118	L110-Q114 HydrophobicContact CD1-CG 4.42Å; L110-Q114 WeakPolarHBondContact O-CB 3.28Å; L110-Q114 VanDerWaalsContact O-CG 3.27Å; L110-Q114 WeakPolarHBondContact O-CG 3.5Å; L110-Q114 PolarHBondContact O-N 3.02Å; Q112-Q114 VanDerWaalsContact C-N 3.32Å; Q112-Q114 PolarHBondContact O-N 2.96Å; Q114-R118 WeakPolarHBondContact O-CG 3.42Å; Q114-R118 PolarHBondContact O-N 2.92Å
115	K	97	Very high	96.2	Very high	146 Å²	146	103 Å²	103	64%	0.635	50%	0.496	S	S	*	.	H	α-helix	trans	-66.1	-44.4	173.7	-72.6	163.1	-175.5	167.4	0	111.5	T111 Q112 V113 R118 R119	T111-K115 WeakPolarHBondContact O-CD 3.26Å; T111-K115 VanDerWaalsContact O-CG 3.25Å; T111-K115 WeakPolarHBondContact O-CG 3.4Å; T111-K115 PolarHBondContact O-N 3.16Å; T111-K115 VanDerWaalsContact O-N 3.09Å; Q112-K115 WeakPolarHBondContact O-CB 3.41Å; Q112-K115 PolarHBondContact O-N 3.16Å; Q112-K115 VanDerWaalsContact O-N 3.16Å; V113-K115 PolarHBondContact O-N 2.99Å; K115-R118 PolarHBondContact O-N 3.47Å; K115-R119 PolarHBondContact O-N 2.78Å; K115-R119 VanDerWaalsContact O-N 3.1Å
116	L	96.7	Very high	96.1	Very high	100 Å²	100	102.2 Å²	102.2	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-41.2	176.9	-69.2	172.2	0	0	0	111.8	Q112 V113 R119 C120	Q112-L116 HydrophobicContact CG-CD1 4.24Å; Q112-L116 WeakPolarHBondContact O-CG 3.46Å; Q112-L116 PolarHBondContact O-N 3.45Å; V113-L116 PolarHBondContact O-N 2.88Å; L116-R119 PolarHBondContact O-N 3.08Å; L116-C120 WeakPolarHBondContact O-CB 3.41Å; L116-C120 PolarHBondContact O-N 3.23Å
117	Y	96	Very high	95.9	Very high	164 Å²	164	100.2 Å²	100.2	64%	0.643	49%	0.486	S	S	*	.	H	α-helix	trans	-59.1	-49	175.2	179.3	-93.6	0	0	0	112	V113 R119 C120 Q121	V113-Y117 WeakPolarHBondContact O-CB 3.28Å; V113-Y117 PolarHBondContact O-N 3.45Å; Y117-R119 VanDerWaalsContact C-N 3.34Å; Y117-R119 PolarHBondContact O-N 3.49Å; Y117-C120 WeakPolarHBondContact O-CB 3.33Å; Y117-C120 PolarHBondContact O-N 2.95Å; Y117-Q121 PolarHBondContact O-N 3.32Å
118	R	95.3	Very high	95.9	Very high	171 Å²	171	100.6 Å²	100.6	65%	0.645	49%	0.488	S	S	*	.	H	α-helix	trans	-59.9	-42.1	177.1	-70.7	-178.2	-171.4	-165.8	3.5	112.3	Q114 K115 Q121 Q122	Q114-R118 WeakPolarHBondContact O-CG 3.42Å; Q114-R118 PolarHBondContact O-N 2.92Å; K115-R118 PolarHBondContact O-N 3.47Å; R118-Q121 PolarHBondContact O-N 3.07Å; R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.97Å
119	R	96.4	Very high	95.8	Very high	167 Å²	167	103.8 Å²	103.8	63%	0.63	49%	0.489	S	S	*	.	H	α-helix	trans	-64.9	-42.3	176	-169.7	178.4	-176.3	-170.6	-0.3	111.6	K115 L116 Y117 Q121 Q122 N123	K115-R119 PolarHBondContact O-N 2.78Å; K115-R119 VanDerWaalsContact O-N 3.1Å; L116-R119 PolarHBondContact O-N 3.08Å; Y117-R119 VanDerWaalsContact C-N 3.34Å; Y117-R119 PolarHBondContact O-N 3.49Å; R119-Q121 VanDerWaalsContact C-N 3.33Å; R119-Q121 PolarHBondContact O-N 3.44Å; R119-Q122 PolarHBondContact O-N 2.71Å; R119-N123 WeakPolarHBondContact O-CB 3.27Å; R119-N123 PolarHBondContact O-N 3.47Å; R119-N123 PolarHBondContact O-OD1 3.44Å
120	C	95.8	Very high	95.6	Very high	77 Å²	77	102.3 Å²	102.3	52%	0.52	48%	0.484	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176.4	-169.7	0	0	0	0	111.8	L116 Y117 L124	L116-C120 WeakPolarHBondContact O-CB 3.41Å; L116-C120 PolarHBondContact O-N 3.23Å; Y117-C120 WeakPolarHBondContact O-CB 3.33Å; Y117-C120 PolarHBondContact O-N 2.95Å; C120-L124 WeakPolarHBondContact O-CB 3.34Å; C120-L124 PolarHBondContact O-N 3.37Å
121	Q	96.6	Very high	95.5	Very high	88 Å²	88	99.3 Å²	99.3	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-50.1	173.9	-174.2	-169	-28.9	0	0	111.8	Y117 R118 R119 N123 L124 E125	Y117-Q121 PolarHBondContact O-N 3.32Å; R118-Q121 PolarHBondContact O-N 3.07Å; R119-Q121 VanDerWaalsContact C-N 3.33Å; R119-Q121 PolarHBondContact O-N 3.44Å; Q121-N123 VanDerWaalsContact C-N 3.34Å; Q121-N123 PolarHBondContact O-N 3.07Å; Q121-L124 WeakPolarHBondContact O-CB 3.42Å; Q121-L124 PolarHBondContact O-N 3.11Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.43Å; Q121-E125 PolarHBondContact NE2-OE1 3.18Å; Q121-E125 WeakPolarHBondContact O-CG 3.4Å; Q121-E125 PolarHBondContact O-N 3.32Å
122	Q	95.7	Very high	95.4	Very high	122 Å²	122	103.2 Å²	103.2	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-57.8	-45.8	178.8	-73.5	174.1	-39.2	0	0	111.9	R118 R119 L124 E125 E126	R118-Q122 WeakPolarHBondContact O-CG 3.5Å; R118-Q122 PolarHBondContact O-N 2.97Å; R119-Q122 PolarHBondContact O-N 2.71Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.25Å; Q122-E125 PolarHBondContact O-N 3.06Å; Q122-E126 WeakPolarHBondContact O-CB 3.25Å; Q122-E126 PolarHBondContact O-N 3.48Å
123	N	95.1	Very high	95.4	Very high	65 Å²	65	102.2 Å²	102.2	35%	0.348	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-29.6	175.9	-70.6	33.8	0	0	0	112.5	R119 Q121 T127 R542	R119-N123 WeakPolarHBondContact O-CB 3.27Å; R119-N123 PolarHBondContact O-N 3.47Å; R119-N123 PolarHBondContact O-OD1 3.44Å; Q121-N123 VanDerWaalsContact C-N 3.34Å; Q121-N123 PolarHBondContact O-N 3.07Å; N123-T127 PolarHBondContact O-N 2.9Å; N123-T127 VanDerWaalsContact O-N 3.07Å; N123-T127 PolarHBondContact O-OG1 3.46Å; N123-R542 PolarHBondContact O-NH2 3.38Å
124	L	94.2	Very high	95.3	Very high	88 Å²	88	99.9 Å²	99.9	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-71.2	-47.4	176.6	175.7	62.9	0	0	0	111.1	C120 Q121 Q122 E126 T127 Q128	C120-L124 WeakPolarHBondContact O-CB 3.34Å; C120-L124 PolarHBondContact O-N 3.37Å; Q121-L124 WeakPolarHBondContact O-CB 3.42Å; Q121-L124 PolarHBondContact O-N 3.11Å; Q122-L124 VanDerWaalsContact C-N 3.28Å; Q122-L124 PolarHBondContact O-N 3.25Å; L124-E126 PolarHBondContact O-N 3.43Å; L124-T127 PolarHBondContact O-N 3.38Å; L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.31Å
125	E	95.5	Very high	95.3	Very high	71 Å²	71	99.5 Å²	99.5	33%	0.332	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-32.1	175.3	-63.6	170.1	-161.6	0	0	111.6	Q121 Q122 R129	Q121-E125 WeakPolarHBondContact CG-OE1 3.43Å; Q121-E125 PolarHBondContact NE2-OE1 3.18Å; Q121-E125 WeakPolarHBondContact O-CG 3.4Å; Q121-E125 PolarHBondContact O-N 3.32Å; Q122-E125 PolarHBondContact O-N 3.06Å; E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.09Å; E125-R129 VanDerWaalsContact O-N 3.09Å; E125-R129 PolarHBondContact O-NE 3.39Å; E125-R129 IonicContact OE2-NH2 3.92Å
126	E	94.7	Very high	95.2	Very high	117 Å²	117	97.4 Å²	97.4	55%	0.547	46%	0.457	S	S	.	.	H	α-helix	trans	-69.5	-46.2	173.8	-173.6	164.7	-142	0	0	112.7	Q122 L124 Q128 R129 S130	Q122-E126 WeakPolarHBondContact O-CB 3.25Å; Q122-E126 PolarHBondContact O-N 3.48Å; L124-E126 PolarHBondContact O-N 3.43Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.36Å; E126-R129 PolarHBondContact O-N 2.81Å; E126-S130 PolarHBondContact O-N 2.99Å; E126-S130 PolarHBondContact O-OG 3.09Å
127	T	93.2	Very high	95.1	Very high	44 Å²	44	100.8 Å²	100.8	27%	0.27	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-31.7	173.9	-53.1	0	0	0	0	112.6	N123 L124 S130 S131 R542	N123-T127 PolarHBondContact O-N 2.9Å; N123-T127 VanDerWaalsContact O-N 3.07Å; N123-T127 PolarHBondContact O-OG1 3.46Å; L124-T127 PolarHBondContact O-N 3.38Å; T127-S130 WeakPolarHBondContact CA-OG 3.4Å; T127-S130 PolarHBondContact O-OG 3.46Å; T127-S130 VanDerWaalsContact O-OG 3.06Å; T127-S131 VanDerWaalsContact O-CB 3.29Å; T127-S131 WeakPolarHBondContact O-CB 3.13Å; T127-S131 PolarHBondContact O-N 3.16Å; T127-R542 PolarHBondContact OG1-NH1 3.16Å; T127-R542 PolarHBondContact OG1-NH2 2.98Å
128	Q	96	Very high	95.1	Very high	104 Å²	104	97.5 Å²	97.5	49%	0.486	45%	0.453	S	S	.	.	H	α-helix	trans	-64.7	-49.6	172.2	-74.2	170.3	-21.2	0	0	110.9	L124 E126 S130 S131 E132	L124-Q128 WeakPolarHBondContact O-CG 3.46Å; L124-Q128 PolarHBondContact O-N 3.31Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.36Å; Q128-S130 VanDerWaalsContact C-N 3.34Å; Q128-S130 PolarHBondContact O-N 3.06Å; Q128-S131 PolarHBondContact O-N 2.94Å; Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.25Å
129	R	95.1	Very high	95.1	Very high	132 Å²	132	94.3 Å²	94.3	50%	0.498	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-34.7	177.4	-75.1	178.5	-102.6	113	-6.6	113.4	E125 E126 L133	E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.09Å; E125-R129 VanDerWaalsContact O-N 3.09Å; E125-R129 PolarHBondContact O-NE 3.39Å; E125-R129 IonicContact OE2-NH2 3.92Å; E126-R129 PolarHBondContact O-N 2.81Å; R129-L133 PolarHBondContact O-N 3.25Å
130	S	93.3	Very high	95.1	Very high	40 Å²	40	90.8 Å²	90.8	28%	0.28	44%	0.435	S	S	.	.	H	α-helix	trans	-71.7	-42.5	174.2	63.5	0	0	0	0	112.1	E126 T127 Q128 E132 L133 I134	E126-S130 PolarHBondContact O-N 2.99Å; E126-S130 PolarHBondContact O-OG 3.09Å; T127-S130 WeakPolarHBondContact CA-OG 3.4Å; T127-S130 PolarHBondContact O-OG 3.46Å; T127-S130 VanDerWaalsContact O-OG 3.06Å; Q128-S130 VanDerWaalsContact C-N 3.34Å; Q128-S130 PolarHBondContact O-N 3.06Å; S130-E132 PolarHBondContact O-N 3.01Å; S130-L133 WeakPolarHBondContact O-CB 3.36Å; S130-L133 PolarHBondContact O-N 2.95Å; S130-L133 VanDerWaalsContact O-N 3.14Å; S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 3.09Å
131	S	93.5	Very high	95.1	Very high	33 Å²	33	89.9 Å²	89.9	23%	0.231	43%	0.433	C	S	.	.	H	α-helix	trans	-65.3	-37.5	178.5	-170.1	0	0	0	0	112.9	T127 Q128 L133 I134 K135 D360	T127-S131 VanDerWaalsContact O-CB 3.29Å; T127-S131 WeakPolarHBondContact O-CB 3.13Å; T127-S131 PolarHBondContact O-N 3.16Å; Q128-S131 PolarHBondContact O-N 2.94Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 2.94Å; S131-I134 PolarHBondContact O-N 2.85Å; S131-K135 WeakPolarHBondContact O-CB 3.44Å; S131-K135 WeakPolarHBondContact O-CG 3.15Å; S131-K135 PolarHBondContact O-N 3.43Å; S131-K135 PolarHBondContact OG-NZ 3.31Å; S131-D360 PolarHBondContact OG-OD2 3.41Å
132	E	95.3	Very high	95.1	Very high	138 Å²	138	89.6 Å²	89.6	65%	0.645	43%	0.433	S	S	*	.	H	α-helix	trans	-59.8	-40.8	170.9	-74	174.7	175.7	0	0	112	Q128 S130 K135 E136	Q128-E132 WeakPolarHBondContact O-CG 3.26Å; Q128-E132 PolarHBondContact O-N 3.25Å; S130-E132 PolarHBondContact O-N 3.01Å; E132-K135 PolarHBondContact O-N 3.4Å; E132-E136 PolarHBondContact O-N 3.01Å; E132-E136 VanDerWaalsContact O-N 3.15Å
133	L	95.8	Very high	95.2	Very high	90 Å²	90	87.9 Å²	87.9	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-70.9	-36.5	178.4	-174.5	154.8	0	0	0	112.4	R129 S130 S131 R137	R129-L133 PolarHBondContact O-N 3.25Å; S130-L133 WeakPolarHBondContact O-CB 3.36Å; S130-L133 PolarHBondContact O-N 2.95Å; S130-L133 VanDerWaalsContact O-N 3.14Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 2.94Å; L133-R137 VanDerWaalsContact CD2-CZ 3.43Å; L133-R137 WeakPolarHBondContact O-CG 3.45Å; L133-R137 PolarHBondContact O-N 3.01Å
134	I	93.8	Very high	95.3	Very high	44 Å²	44	88.1 Å²	88.1	23%	0.226	43%	0.43	C	S	.	.	H	α-helix	trans	-65.1	-45.7	173.3	-68.2	165.6	0	0	0	110.3	S130 S131 E136 R137 E138	S130-I134 WeakPolarHBondContact O-CG1 3.46Å; S130-I134 PolarHBondContact O-N 3.09Å; S131-I134 PolarHBondContact O-N 2.85Å; I134-E136 PolarHBondContact O-N 2.94Å; I134-R137 WeakPolarHBondContact O-CA 3.46Å; I134-R137 WeakPolarHBondContact O-CB 3.35Å; I134-R137 PolarHBondContact O-N 3.4Å; I134-R137 VanDerWaalsContact O-N 3.09Å; I134-E138 PolarHBondContact O-N 3.35Å
135	K	96	Very high	95.4	Very high	88 Å²	88	90.9 Å²	90.9	38%	0.383	44%	0.438	S	S	.	.	H	α-helix	trans	-61.8	-38.1	178.8	-74.1	174.2	174.1	66.8	0	113.4	S131 E132 E138 K139 D360	S131-K135 WeakPolarHBondContact O-CB 3.44Å; S131-K135 WeakPolarHBondContact O-CG 3.15Å; S131-K135 PolarHBondContact O-N 3.43Å; S131-K135 PolarHBondContact OG-NZ 3.31Å; E132-K135 PolarHBondContact O-N 3.4Å; K135-E138 PolarHBondContact O-N 2.9Å; K135-K139 WeakPolarHBondContact O-CB 3.22Å; K135-K139 PolarHBondContact O-N 3.4Å; K135-D360 IonicContact NZ-OD1 2.68Å; K135-D360 PolarHBondContact NZ-OD1 3.05Å; K135-D360 IonicContact NZ-OD2 2.63Å; K135-D360 PolarHBondContact NZ-OD2 2.79Å
136	E	94.8	Very high	95.5	Very high	102 Å²	102	94 Å²	94	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-69.9	-33.3	174.6	-168.2	58.9	-147.7	0	0	112.2	E132 I134 K139 Q140	E132-E136 PolarHBondContact O-N 3.01Å; E132-E136 VanDerWaalsContact O-N 3.15Å; I134-E136 PolarHBondContact O-N 2.94Å; E136-K139 IonicContact OE1-NZ 2.65Å; E136-K139 PolarHBondContact OE1-NZ 3.32Å; E136-K139 IonicContact OE2-NZ 2.67Å; E136-K139 PolarHBondContact OE2-NZ 2.87Å; E136-Q140 WeakPolarHBondContact O-CB 3.41Å; E136-Q140 PolarHBondContact O-N 3.26Å
137	R	95.8	Very high	95.7	Very high	172 Å²	172	94.3 Å²	94.3	65%	0.649	46%	0.455	S	S	*	.	H	α-helix	trans	-65.7	-43.4	171	-73	173.2	172.8	174.9	0	112.3	L133 I134 Q140 A141	L133-R137 VanDerWaalsContact CD2-CZ 3.43Å; L133-R137 WeakPolarHBondContact O-CG 3.45Å; L133-R137 PolarHBondContact O-N 3.01Å; I134-R137 WeakPolarHBondContact O-CA 3.46Å; I134-R137 WeakPolarHBondContact O-CB 3.35Å; I134-R137 PolarHBondContact O-N 3.4Å; I134-R137 VanDerWaalsContact O-N 3.09Å; R137-Q140 PolarHBondContact O-N 3.42Å; R137-A141 PolarHBondContact O-N 3.16Å
138	E	95.1	Very high	95.8	Very high	94 Å²	94	97.6 Å²	97.6	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-61.3	-48.8	176.8	-165.4	-139.5	154.2	0	0	110.6	I134 K135 Q140 A141 L142	I134-E138 PolarHBondContact O-N 3.35Å; K135-E138 PolarHBondContact O-N 2.9Å; E138-Q140 VanDerWaalsContact C-N 3.31Å; E138-Q140 PolarHBondContact O-N 3.32Å; E138-A141 CarbonylContact O-C 3.59Å; E138-A141 PolarHBondContact O-N 3.45Å; E138-A141 VanDerWaalsContact O-N 3.09Å; E138-L142 HydrophobicContact CG-CD1 4.49Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 2.85Å; E138-L142 WeakPolarHBondContact OE1-CD1 3.33Å
139	K	96.5	Very high	95.8	Very high	105 Å²	105	96.3 Å²	96.3	46%	0.457	47%	0.467	S	S	.	.	H	α-helix	trans	-55.7	-40.8	174	171.2	163.6	160.1	-90.8	0	112.8	K135 E136 N143	K135-K139 WeakPolarHBondContact O-CB 3.22Å; K135-K139 PolarHBondContact O-N 3.4Å; E136-K139 IonicContact OE1-NZ 2.65Å; E136-K139 PolarHBondContact OE1-NZ 3.32Å; E136-K139 IonicContact OE2-NZ 2.67Å; E136-K139 PolarHBondContact OE2-NZ 2.87Å; K139-N143 PolarHBondContact O-N 2.9Å; K139-N143 PolarHBondContact O-ND2 2.85Å; K139-N143 VanDerWaalsContact O-ND2 3.12Å
140	Q	96.5	Very high	96	Very high	93 Å²	93	93.5 Å²	93.5	44%	0.435	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-48.2	172.5	179.9	54.5	39.8	0	0	111.8	E136 R137 E138 L142 N143 D144	E136-Q140 WeakPolarHBondContact O-CB 3.41Å; E136-Q140 PolarHBondContact O-N 3.26Å; R137-Q140 PolarHBondContact O-N 3.42Å; E138-Q140 VanDerWaalsContact C-N 3.31Å; E138-Q140 PolarHBondContact O-N 3.32Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 2.97Å; Q140-N143 WeakPolarHBondContact O-CB 3.4Å; Q140-N143 PolarHBondContact O-N 3.32Å; Q140-D144 PolarHBondContact NE2-OD1 3.36Å; Q140-D144 VanDerWaalsContact NE2-OD1 3.09Å; Q140-D144 PolarHBondContact NE2-OD2 2.83Å; Q140-D144 PolarHBondContact O-N 3.29Å
141	A	95.7	Very high	96.1	Very high	57 Å²	57	100.4 Å²	100.4	47%	0.471	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-34.5	178.4	0	0	0	0	0	112.9	R137 E138 D144 K145	R137-A141 PolarHBondContact O-N 3.16Å; E138-A141 CarbonylContact O-C 3.59Å; E138-A141 PolarHBondContact O-N 3.45Å; E138-A141 VanDerWaalsContact O-N 3.09Å; A141-D144 PolarHBondContact O-N 3.39Å; A141-K145 WeakPolarHBondContact O-CB 3.45Å; A141-K145 PolarHBondContact O-N 3.01Å
142	L	96.3	Very high	96.3	Very high	82 Å²	82	103.5 Å²	103.5	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-38.4	173	-72.9	174.6	0	0	0	112.4	E138 Q140 K145 K146	E138-L142 HydrophobicContact CG-CD1 4.49Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 2.85Å; E138-L142 WeakPolarHBondContact OE1-CD1 3.33Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 2.97Å; L142-K145 HydrophobicContact CD2-CD 4.33Å; L142-K146 WeakPolarHBondContact O-CB 3.48Å; L142-K146 PolarHBondContact O-N 3.05Å
143	N	96.8	Very high	96.4	Very high	86 Å²	86	102 Å²	102	46%	0.46	49%	0.486	S	S	.	.	H	α-helix	trans	-65.2	-44.6	173.3	-73.7	-39.5	0	0	0	111.6	K139 Q140 K146 L147	K139-N143 PolarHBondContact O-N 2.9Å; K139-N143 PolarHBondContact O-ND2 2.85Å; K139-N143 VanDerWaalsContact O-ND2 3.12Å; Q140-N143 WeakPolarHBondContact O-CB 3.4Å; Q140-N143 PolarHBondContact O-N 3.32Å; N143-K146 WeakPolarHBondContact O-CB 3.45Å; N143-K146 PolarHBondContact O-N 3.18Å; N143-L147 PolarHBondContact O-N 3.31Å
144	D	97.5	Very high	96.4	Very high	71 Å²	71	100.7 Å²	100.7	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-66.6	-40.9	178.6	-67.2	-35.8	0	0	0	111.8	Q140 A141 K146 L147 L148	Q140-D144 PolarHBondContact NE2-OD1 3.36Å; Q140-D144 VanDerWaalsContact NE2-OD1 3.09Å; Q140-D144 PolarHBondContact NE2-OD2 2.83Å; Q140-D144 PolarHBondContact O-N 3.29Å; A141-D144 PolarHBondContact O-N 3.39Å; D144-K146 VanDerWaalsContact C-N 3.3Å; D144-K146 PolarHBondContact O-N 3.04Å; D144-L147 PolarHBondContact O-N 2.94Å; D144-L148 WeakPolarHBondContact O-CB 3.08Å; D144-L148 WeakPolarHBondContact O-CG 3.02Å; D144-L148 PolarHBondContact O-N 3.27Å
145	K	96.7	Very high	96.5	Very high	145 Å²	145	102.2 Å²	102.2	63%	0.63	50%	0.496	S	S	*	.	H	α-helix	trans	-56.7	-41.7	170.7	176.6	-178.4	177.9	-178.7	0	111.9	A141 L142 N149	A141-K145 WeakPolarHBondContact O-CB 3.45Å; A141-K145 PolarHBondContact O-N 3.01Å; L142-K145 HydrophobicContact CD2-CD 4.33Å; K145-N149 WeakPolarHBondContact O-CB 3.48Å; K145-N149 PolarHBondContact O-N 3.29Å
146	K	97.9	Very high	96.6	Very high	138 Å²	138	100.8 Å²	100.8	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-66.3	-47.5	176.2	-176.4	-178.8	176.5	-176	0	111.5	L142 N143 D144 L148 N149 D150	L142-K146 WeakPolarHBondContact O-CB 3.48Å; L142-K146 PolarHBondContact O-N 3.05Å; N143-K146 WeakPolarHBondContact O-CB 3.45Å; N143-K146 PolarHBondContact O-N 3.18Å; D144-K146 VanDerWaalsContact C-N 3.3Å; D144-K146 PolarHBondContact O-N 3.04Å; K146-L148 VanDerWaalsContact C-N 3.34Å; K146-L148 PolarHBondContact O-N 3.31Å; K146-N149 WeakPolarHBondContact O-CB 3.37Å; K146-N149 PolarHBondContact O-N 3.04Å; K146-N149 VanDerWaalsContact O-N 3.12Å; K146-D150 PolarHBondContact O-N 3.33Å
147	L	97.3	Very high	96.7	Very high	122 Å²	122	99.5 Å²	99.5	64%	0.639	49%	0.493	S	S	*	.	H	α-helix	trans	-58.8	-43.5	177.5	-177.3	63.6	0	0	0	112	N143 D144 D150 R151	N143-L147 PolarHBondContact O-N 3.31Å; D144-L147 PolarHBondContact O-N 2.94Å; L147-D150 PolarHBondContact O-N 2.91Å; L147-R151 WeakPolarHBondContact O-CB 3.33Å; L147-R151 PolarHBondContact O-N 3.1Å
148	L	96.1	Very high	96.7	Very high	113 Å²	113	95.5 Å²	95.5	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-64.6	-39.3	174.5	-72.9	169.5	0	0	0	112.3	D144 K146 R151 L152	D144-L148 WeakPolarHBondContact O-CB 3.08Å; D144-L148 WeakPolarHBondContact O-CG 3.02Å; D144-L148 PolarHBondContact O-N 3.27Å; K146-L148 VanDerWaalsContact C-N 3.34Å; K146-L148 PolarHBondContact O-N 3.31Å; L148-R151 PolarHBondContact O-N 2.87Å; L148-L152 WeakPolarHBondContact O-CB 3.28Å; L148-L152 PolarHBondContact O-N 3.16Å
149	N	97.2	Very high	96.7	Very high	78 Å²	78	96.6 Å²	96.6	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-41.9	177.4	-168.5	-88	0	0	0	112.1	K145 K146 L152 K153	K145-N149 WeakPolarHBondContact O-CB 3.48Å; K145-N149 PolarHBondContact O-N 3.29Å; K146-N149 WeakPolarHBondContact O-CB 3.37Å; K146-N149 PolarHBondContact O-N 3.04Å; K146-N149 VanDerWaalsContact O-N 3.12Å; N149-L152 WeakPolarHBondContact O-CB 3.44Å; N149-L152 PolarHBondContact O-N 3.06Å; N149-K153 WeakPolarHBondContact O-CG 3.13Å; N149-K153 PolarHBondContact O-N 2.88Å; N149-K153 WeakPolarHBondContact OD1-CE 3.1Å; N149-K153 PolarHBondContact OD1-NZ 3.36Å
150	D	97.6	Very high	96.7	Very high	73 Å²	73	98.7 Å²	98.7	39%	0.39	50%	0.495	S	S	.	.	H	α-helix	trans	-71.1	-35.1	177.4	-69.1	-30.9	0	0	0	112.1	K146 L147 K153 S154	K146-D150 PolarHBondContact O-N 3.33Å; L147-D150 PolarHBondContact O-N 2.91Å; D150-K153 PolarHBondContact O-N 3.4Å; D150-K153 IonicContact OD1-NZ 2.78Å; D150-K153 PolarHBondContact OD1-NZ 3.35Å; D150-S154 PolarHBondContact O-N 3.47Å
151	R	97.1	Very high	96.7	Very high	184 Å²	184	99.8 Å²	99.8	69%	0.694	50%	0.499	S	S	*	.	H	α-helix	trans	-61.6	-43.1	168.1	-175.5	175.7	178.4	174.3	-1.3	111.9	L147 L148 S154 T155	L147-R151 WeakPolarHBondContact O-CB 3.33Å; L147-R151 PolarHBondContact O-N 3.1Å; L148-R151 PolarHBondContact O-N 2.87Å; R151-S154 WeakPolarHBondContact O-CB 3.49Å; R151-S154 PolarHBondContact O-N 3.49Å; R151-T155 PolarHBondContact O-N 3.49Å; R151-T155 PolarHBondContact O-OG1 2.95Å
152	L	96.1	Very high	96.8	Very high	99 Å²	99	101.7 Å²	101.7	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-50	176.8	179.7	62.6	0	0	0	111.1	L148 N149 S154 T155 C156	L148-L152 WeakPolarHBondContact O-CB 3.28Å; L148-L152 PolarHBondContact O-N 3.16Å; N149-L152 WeakPolarHBondContact O-CB 3.44Å; N149-L152 PolarHBondContact O-N 3.06Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.41Å; L152-T155 WeakPolarHBondContact CA-OG1 3.44Å; L152-T155 PolarHBondContact O-N 2.92Å; L152-T155 VanDerWaalsContact O-N 3.11Å; L152-T155 PolarHBondContact O-OG1 3.02Å; L152-C156 PolarHBondContact O-N 3.34Å; L152-C156 PolarHBondContact O-SG 3.37Å; L152-C156 VanDerWaalsContact O-SG 3.32Å
153	K	97.5	Very high	96.8	Very high	105 Å²	105	102.9 Å²	102.9	46%	0.457	51%	0.508	S	S	.	.	H	α-helix	trans	-51.9	-44.9	174	-71.6	172.7	-176.3	121.6	0	111.8	N149 D150 C156 N157	N149-K153 WeakPolarHBondContact O-CG 3.13Å; N149-K153 PolarHBondContact O-N 2.88Å; N149-K153 WeakPolarHBondContact OD1-CE 3.1Å; N149-K153 PolarHBondContact OD1-NZ 3.36Å; D150-K153 PolarHBondContact O-N 3.4Å; D150-K153 IonicContact OD1-NZ 2.78Å; D150-K153 PolarHBondContact OD1-NZ 3.35Å; K153-C156 PolarHBondContact O-N 3.04Å; K153-N157 VanDerWaalsContact O-CG 3.28Å; K153-N157 PolarHBondContact O-N 3.47Å; K153-N157 PolarHBondContact O-ND2 3Å
154	S	96.6	Very high	96.8	Very high	64 Å²	64	101.4 Å²	101.4	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-59.7	-51.6	176.1	-180	0	0	0	0	111.5	D150 R151 L152 C156 N157 E158	D150-S154 PolarHBondContact O-N 3.47Å; R151-S154 WeakPolarHBondContact O-CB 3.49Å; R151-S154 PolarHBondContact O-N 3.49Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.41Å; S154-C156 VanDerWaalsContact C-N 3.35Å; S154-C156 PolarHBondContact O-N 3.1Å; S154-N157 PolarHBondContact O-N 2.89Å; S154-N157 VanDerWaalsContact O-N 3.08Å; S154-E158 PolarHBondContact O-N 3.41Å
155	T	96.4	Very high	96.7	Very high	75 Å²	75	101.1 Å²	101.1	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-37.9	178.5	53.8	0	0	0	0	113.5	R151 L152 N157 E158 L159	R151-T155 PolarHBondContact O-N 3.49Å; R151-T155 PolarHBondContact O-OG1 2.95Å; L152-T155 WeakPolarHBondContact CA-OG1 3.44Å; L152-T155 PolarHBondContact O-N 2.92Å; L152-T155 VanDerWaalsContact O-N 3.11Å; L152-T155 PolarHBondContact O-OG1 3.02Å; T155-N157 VanDerWaalsContact C-N 3.32Å; T155-N157 PolarHBondContact O-N 3.03Å; T155-E158 PolarHBondContact O-N 3.28Å; T155-L159 WeakPolarHBondContact O-CB 3.22Å; T155-L159 PolarHBondContact O-N 2.72Å
156	C	97.3	Very high	96.7	Very high	58 Å²	58	100.7 Å²	100.7	39%	0.392	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-33.9	174.9	-66.8	0	0	0	0	112.5	L152 K153 S154 R160	L152-C156 PolarHBondContact O-N 3.34Å; L152-C156 PolarHBondContact O-SG 3.37Å; L152-C156 VanDerWaalsContact O-SG 3.32Å; K153-C156 PolarHBondContact O-N 3.04Å; S154-C156 VanDerWaalsContact C-N 3.35Å; S154-C156 PolarHBondContact O-N 3.1Å; C156-R160 WeakPolarHBondContact O-CB 3.49Å; C156-R160 PolarHBondContact O-N 2.93Å; C156-R160 VanDerWaalsContact O-N 3.07Å
157	N	96.4	Very high	96.7	Very high	75 Å²	75	99.1 Å²	99.1	40%	0.401	50%	0.496	S	S	.	.	H	α-helix	trans	-72.2	-40.7	175.9	-72.7	-22	0	0	0	112	K153 S154 T155 R160 K161	K153-N157 VanDerWaalsContact O-CG 3.28Å; K153-N157 PolarHBondContact O-N 3.47Å; K153-N157 PolarHBondContact O-ND2 3Å; S154-N157 PolarHBondContact O-N 2.89Å; S154-N157 VanDerWaalsContact O-N 3.08Å; T155-N157 VanDerWaalsContact C-N 3.32Å; T155-N157 PolarHBondContact O-N 3.03Å; N157-R160 PolarHBondContact O-N 3.27Å; N157-R160 PolarHBondContact OD1-NH1 3.47Å; N157-K161 WeakPolarHBondContact O-CG 3.34Å; N157-K161 PolarHBondContact O-N 3.1Å; N157-K161 VanDerWaalsContact O-N 3.1Å
158	E	96	Very high	96.6	Very high	89 Å²	89	100.8 Å²	100.8	42%	0.416	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-41.5	173.3	-59.8	-41.9	117.6	0	0	112.1	S154 T155 R160 K161 V162	S154-E158 PolarHBondContact O-N 3.41Å; T155-E158 PolarHBondContact O-N 3.28Å; E158-R160 VanDerWaalsContact C-N 3.31Å; E158-R160 PolarHBondContact O-N 3.33Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 3.4Å; E158-K161 VanDerWaalsContact O-N 3.13Å; E158-K161 IonicContact OE1-NZ 2.66Å; E158-K161 PolarHBondContact OE1-NZ 3.17Å; E158-K161 WeakPolarHBondContact OE2-CD 3.35Å; E158-K161 IonicContact OE2-NZ 2.83Å; E158-K161 PolarHBondContact OE2-NZ 3.2Å; E158-V162 WeakPolarHBondContact O-CG2 3.46Å; E158-V162 PolarHBondContact O-N 2.64Å
159	L	96.2	Very high	96.6	Very high	117 Å²	117	100.3 Å²	100.3	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-59.5	-41.7	174.8	-172.1	152.2	0	0	0	111.4	T155 K161 V162 Q163	T155-L159 WeakPolarHBondContact O-CB 3.22Å; T155-L159 PolarHBondContact O-N 2.72Å; L159-K161 PolarHBondContact O-N 2.87Å; L159-V162 PolarHBondContact O-N 3.32Å; L159-Q163 WeakPolarHBondContact O-CB 3.5Å; L159-Q163 PolarHBondContact O-N 3.31Å
160	R	96.2	Very high	96.5	Very high	149 Å²	149	101.3 Å²	101.3	56%	0.562	49%	0.49	S	S	*	.	H	α-helix	trans	-63.5	-37.8	175.3	-163.2	-175.5	-58.9	106.9	1.5	112.6	C156 N157 E158 S164	C156-R160 WeakPolarHBondContact O-CB 3.49Å; C156-R160 PolarHBondContact O-N 2.93Å; C156-R160 VanDerWaalsContact O-N 3.07Å; N157-R160 PolarHBondContact O-N 3.27Å; N157-R160 PolarHBondContact OD1-NH1 3.47Å; E158-R160 VanDerWaalsContact C-N 3.31Å; E158-R160 PolarHBondContact O-N 3.33Å; R160-S164 PolarHBondContact O-N 3.12Å; R160-S164 VanDerWaalsContact O-N 3.08Å
161	K	96.8	Very high	96.5	Very high	115 Å²	115	102.4 Å²	102.4	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-46.6	172.6	-70	165.4	176.4	170	0	111.3	N157 E158 L159 Q163 S164 N165	N157-K161 WeakPolarHBondContact O-CG 3.34Å; N157-K161 PolarHBondContact O-N 3.1Å; N157-K161 VanDerWaalsContact O-N 3.1Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 3.4Å; E158-K161 VanDerWaalsContact O-N 3.13Å; E158-K161 IonicContact OE1-NZ 2.66Å; E158-K161 PolarHBondContact OE1-NZ 3.17Å; E158-K161 WeakPolarHBondContact OE2-CD 3.35Å; E158-K161 IonicContact OE2-NZ 2.83Å; E158-K161 PolarHBondContact OE2-NZ 3.2Å; L159-K161 PolarHBondContact O-N 2.87Å; K161-Q163 PolarHBondContact O-N 3.13Å; K161-S164 PolarHBondContact O-N 3.18Å; K161-N165 VanDerWaalsContact O-CG 3.24Å; K161-N165 PolarHBondContact O-N 2.92Å; K161-N165 PolarHBondContact O-OD1 3.37Å
162	V	97	Very high	96.4	Very high	97 Å²	97	99 Å²	99	59%	0.588	49%	0.491	S	S	*	.	H	α-helix	trans	-62.1	-42.8	178.7	172.5	0	0	0	0	111.1	E158 L159 S164 N165 F166	E158-V162 WeakPolarHBondContact O-CG2 3.46Å; E158-V162 PolarHBondContact O-N 2.64Å; L159-V162 PolarHBondContact O-N 3.32Å; V162-S164 PolarHBondContact O-N 2.95Å; V162-N165 WeakPolarHBondContact O-CB 3.43Å; V162-N165 PolarHBondContact O-N 3.26Å; V162-F166 WeakPolarHBondContact O-CB 3.35Å; V162-F166 PolarHBondContact O-N 3.17Å
163	Q	97.3	Very high	96.4	Very high	108 Å²	108	101.6 Å²	101.6	51%	0.505	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-43.7	174.8	-172.5	-179.2	11.9	0	0	112.1	L159 K161 F166 Q167	L159-Q163 WeakPolarHBondContact O-CB 3.5Å; L159-Q163 PolarHBondContact O-N 3.31Å; K161-Q163 PolarHBondContact O-N 3.13Å; Q163-F166 PolarHBondContact O-N 2.91Å; Q163-Q167 WeakPolarHBondContact O-CG 3.46Å; Q163-Q167 PolarHBondContact O-N 2.98Å
164	S	95.9	Very high	96.4	Very high	54 Å²	54	99.6 Å²	99.6	38%	0.378	49%	0.493	S	S	.	.	H	α-helix	trans	-67	-35.2	175.5	-175.9	0	0	0	0	112.8	R160 K161 V162 R168	R160-S164 PolarHBondContact O-N 3.12Å; R160-S164 VanDerWaalsContact O-N 3.08Å; K161-S164 PolarHBondContact O-N 3.18Å; V162-S164 PolarHBondContact O-N 2.95Å; S164-R168 WeakPolarHBondContact O-CG 3.5Å; S164-R168 PolarHBondContact O-N 2.9Å
165	N	96.2	Very high	96.3	Very high	65 Å²	65	102 Å²	102	35%	0.348	50%	0.496	S	S	.	.	H	α-helix	trans	-65.4	-45.1	172.3	-68.1	-11.6	0	0	0	111.3	K161 V162 R168 H169	K161-N165 VanDerWaalsContact O-CG 3.24Å; K161-N165 PolarHBondContact O-N 2.92Å; K161-N165 PolarHBondContact O-OD1 3.37Å; V162-N165 WeakPolarHBondContact O-CB 3.43Å; V162-N165 PolarHBondContact O-N 3.26Å; N165-R168 PolarHBondContact O-N 3.32Å; N165-R168 PolarHBondContact OD1-NH2 2.87Å; N165-H169 PolarHBondContact O-CD2 2.98Å; N165-H169 PolarHBondContact O-N 3.18Å
166	F	95.8	Very high	96.3	Very high	137 Å²	137	101.8 Å²	101.8	60%	0.601	49%	0.49	S	S	*	.	H	α-helix	trans	-58.5	-49.4	177.8	-176	-88	0	0	0	111.5	V162 Q163 R168 H169 E170	V162-F166 WeakPolarHBondContact O-CB 3.35Å; V162-F166 PolarHBondContact O-N 3.17Å; Q163-F166 PolarHBondContact O-N 2.91Å; F166-R168 VanDerWaalsContact C-N 3.3Å; F166-R168 PolarHBondContact O-N 2.91Å; F166-H169 PolarHBondContact O-N 3.24Å; F166-H169 VanDerWaalsContact O-N 3.14Å; F166-E170 HydrophobicContact CE1-CB 4.49Å; F166-E170 WeakPolarHBondContact O-CB 3.25Å; F166-E170 PolarHBondContact O-N 2.96Å
167	Q	96.9	Very high	96.2	Very high	105 Å²	105	105.7 Å²	105.7	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-58.3	-39.3	176.3	-73.3	175.3	-20.9	0	0	112.7	Q163 E170 V171	Q163-Q167 WeakPolarHBondContact O-CG 3.46Å; Q163-Q167 PolarHBondContact O-N 2.98Å; Q167-E170 PolarHBondContact O-N 3.34Å; Q167-V171 WeakPolarHBondContact O-CG2 3.43Å; Q167-V171 PolarHBondContact O-N 3.17Å; Q167-V171 VanDerWaalsContact O-N 3.08Å
168	R	95.7	Very high	96.2	Very high	157 Å²	157	108.1 Å²	108.1	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-65.6	-43	175.4	-73.8	-172.3	-70.6	177	0	112	S164 N165 F166 Q172	S164-R168 WeakPolarHBondContact O-CG 3.5Å; S164-R168 PolarHBondContact O-N 2.9Å; N165-R168 PolarHBondContact O-N 3.32Å; N165-R168 PolarHBondContact OD1-NH2 2.87Å; F166-R168 VanDerWaalsContact C-N 3.3Å; F166-R168 PolarHBondContact O-N 2.91Å; R168-Q172 WeakPolarHBondContact O-CB 3.44Å; R168-Q172 PolarHBondContact O-N 3.13Å
169	H	96.1	Very high	96.2	Very high	102 Å²	102	107.8 Å²	107.8	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-66.9	-39.9	175.2	-73.1	-58.1	0	0	0	112.5	N165 F166 V171 Q172 F173	N165-H169 PolarHBondContact O-CD2 2.98Å; N165-H169 PolarHBondContact O-N 3.18Å; F166-H169 PolarHBondContact O-N 3.24Å; F166-H169 VanDerWaalsContact O-N 3.14Å; H169-V171 PolarHBondContact O-N 3.14Å; H169-Q172 CarbonylContact O-C 3.59Å; H169-Q172 WeakPolarHBondContact O-CB 3.26Å; H169-Q172 PolarHBondContact O-N 2.88Å; H169-Q172 VanDerWaalsContact O-N 3.16Å; H169-F173 HydrophobicContact CB-CD2 4.43Å; H169-F173 VanDerWaalsContact O-CD2 3.23Å; H169-F173 WeakPolarHBondContact O-CD2 3.38Å; H169-F173 PolarHBondContact O-N 3.46Å
170	E	96.3	Very high	96.2	Very high	100 Å²	100	107 Å²	107	47%	0.467	49%	0.493	S	S	.	.	H	α-helix	trans	-59.7	-46.9	176.3	-175.9	176.6	-167.3	0	0	111.5	F166 Q167 Q172 F173 L174	F166-E170 HydrophobicContact CE1-CB 4.49Å; F166-E170 WeakPolarHBondContact O-CB 3.25Å; F166-E170 PolarHBondContact O-N 2.96Å; Q167-E170 PolarHBondContact O-N 3.34Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.28Å; E170-F173 PolarHBondContact O-N 2.96Å; E170-L174 HydrophobicContact CG-CD1 4.21Å; E170-L174 WeakPolarHBondContact O-CB 3.47Å; E170-L174 VanDerWaalsContact O-CG 3.29Å; E170-L174 WeakPolarHBondContact O-CG 3.32Å; E170-L174 PolarHBondContact O-N 3.28Å
171	V	96.2	Very high	96.2	Very high	96 Å²	96	103.9 Å²	103.9	58%	0.582	49%	0.485	S	S	*	.	H	α-helix	trans	-62.5	-38	174.6	172.3	0	0	0	0	111.8	Q167 H169 H175	Q167-V171 WeakPolarHBondContact O-CG2 3.43Å; Q167-V171 PolarHBondContact O-N 3.17Å; Q167-V171 VanDerWaalsContact O-N 3.08Å; H169-V171 PolarHBondContact O-N 3.14Å; V171-H175 PolarHBondContact O-N 3.07Å
172	Q	96.3	Very high	96.1	Very high	113 Å²	113	105.6 Å²	105.6	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-47.3	176	-172.9	-177.9	6.2	0	0	112.1	R168 H169 E170 L174 H175 E176	R168-Q172 WeakPolarHBondContact O-CB 3.44Å; R168-Q172 PolarHBondContact O-N 3.13Å; H169-Q172 CarbonylContact O-C 3.59Å; H169-Q172 WeakPolarHBondContact O-CB 3.26Å; H169-Q172 PolarHBondContact O-N 2.88Å; H169-Q172 VanDerWaalsContact O-N 3.16Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.28Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; Q172-L174 PolarHBondContact O-N 3.04Å; Q172-H175 WeakPolarHBondContact O-CA 3.45Å; Q172-H175 WeakPolarHBondContact O-CB 3.46Å; Q172-H175 PolarHBondContact O-N 3.15Å; Q172-E176 PolarHBondContact O-N 2.89Å
173	F	95.5	Very high	96.1	Very high	152 Å²	152	105.4 Å²	105.4	67%	0.667	49%	0.485	S	S	*	.	H	α-helix	trans	-60.7	-41.6	174.4	-85	-67.3	0	0	0	111.4	H169 E170 H175 E176 R177	H169-F173 HydrophobicContact CB-CD2 4.43Å; H169-F173 VanDerWaalsContact O-CD2 3.23Å; H169-F173 WeakPolarHBondContact O-CD2 3.38Å; H169-F173 PolarHBondContact O-N 3.46Å; E170-F173 PolarHBondContact O-N 2.96Å; F173-H175 VanDerWaalsContact C-N 3.26Å; F173-H175 PolarHBondContact O-N 2.99Å; F173-E176 PolarHBondContact O-N 3.36Å; F173-R177 VanDerWaalsContact O-CB 3.27Å; F173-R177 WeakPolarHBondContact O-CB 3.45Å; F173-R177 PolarHBondContact O-N 3.4Å
174	L	96.5	Very high	95.9	Very high	64 Å²	64	102.2 Å²	102.2	34%	0.335	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-27.1	173.4	-72.1	171.2	0	0	0	112.7	E170 Q172 R178	E170-L174 HydrophobicContact CG-CD1 4.21Å; E170-L174 WeakPolarHBondContact O-CB 3.47Å; E170-L174 VanDerWaalsContact O-CG 3.29Å; E170-L174 WeakPolarHBondContact O-CG 3.32Å; E170-L174 PolarHBondContact O-N 3.28Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; Q172-L174 PolarHBondContact O-N 3.04Å; L174-R178 WeakPolarHBondContact O-CB 3.26Å; L174-R178 WeakPolarHBondContact O-CG 3.44Å; L174-R178 PolarHBondContact O-N 3.29Å; L174-R178 PolarHBondContact O-NE 3.28Å; L174-R178 PolarHBondContact O-NH2 3.37Å
175	H	96.2	Very high	95.9	Very high	113 Å²	113	102.3 Å²	102.3	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-72.8	-53.7	172.3	-173.1	94.3	0	0	0	111.4	V171 Q172 F173 R177 R178 K179	V171-H175 PolarHBondContact O-N 3.07Å; Q172-H175 WeakPolarHBondContact O-CA 3.45Å; Q172-H175 WeakPolarHBondContact O-CB 3.46Å; Q172-H175 PolarHBondContact O-N 3.15Å; F173-H175 VanDerWaalsContact C-N 3.26Å; F173-H175 PolarHBondContact O-N 2.99Å; H175-R177 VanDerWaalsContact C-N 3.32Å; H175-R177 PolarHBondContact O-N 2.75Å; H175-R178 PolarHBondContact O-N 3.05Å; H175-R178 VanDerWaalsContact O-N 3.16Å; H175-K179 PolarHBondContact O-N 3.22Å
176	E	95.9	Very high	95.9	Very high	72 Å²	72	103.7 Å²	103.7	34%	0.336	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-38.8	179.2	-72.1	-59.9	140.8	0	0	112	Q172 F173 R178 K179 L180	Q172-E176 PolarHBondContact O-N 2.89Å; F173-E176 PolarHBondContact O-N 3.36Å; E176-R178 PolarHBondContact O-N 2.81Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 2.92Å; E176-K179 VanDerWaalsContact O-N 3.15Å; E176-K179 IonicContact OE1-NZ 3.31Å; E176-K179 PolarHBondContact OE1-NZ 2.77Å; E176-K179 IonicContact OE2-NZ 2.7Å; E176-K179 PolarHBondContact OE2-NZ 3.02Å; E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 3.3Å
177	R	95.2	Very high	95.8	Very high	140 Å²	140	102.5 Å²	102.5	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-44.5	174.2	-155.3	-169.8	80.4	-153.2	0.4	111.7	F173 H175 K179 L180 E181	F173-R177 VanDerWaalsContact O-CB 3.27Å; F173-R177 WeakPolarHBondContact O-CB 3.45Å; F173-R177 PolarHBondContact O-N 3.4Å; H175-R177 VanDerWaalsContact C-N 3.32Å; H175-R177 PolarHBondContact O-N 2.75Å; R177-K179 VanDerWaalsContact C-N 3.28Å; R177-K179 PolarHBondContact O-N 3.11Å; R177-L180 PolarHBondContact O-N 2.93Å; R177-E181 IonicContact CZ-OE1 3.42Å; R177-E181 IonicContact NE-OE1 2.73Å; R177-E181 PolarHBondContact NE-OE1 3.38Å; R177-E181 IonicContact NH2-OE1 3.19Å; R177-E181 PolarHBondContact NH2-OE1 3.32Å; R177-E181 VanDerWaalsContact O-CB 3.29Å; R177-E181 WeakPolarHBondContact O-CB 3.45Å; R177-E181 WeakPolarHBondContact O-CG 2.98Å; R177-E181 PolarHBondContact O-N 3.41Å
178	R	96.5	Very high	95.7	Very high	126 Å²	126	105 Å²	105	48%	0.475	49%	0.487	S	S	.	.	H	α-helix	trans	-66.9	-26.3	175.4	-79.4	177.4	-68.3	172.9	-2.5	113.5	L174 H175 E176 K182	L174-R178 WeakPolarHBondContact O-CB 3.26Å; L174-R178 WeakPolarHBondContact O-CG 3.44Å; L174-R178 PolarHBondContact O-N 3.29Å; L174-R178 PolarHBondContact O-NE 3.28Å; L174-R178 PolarHBondContact O-NH2 3.37Å; H175-R178 PolarHBondContact O-N 3.05Å; H175-R178 VanDerWaalsContact O-N 3.16Å; E176-R178 PolarHBondContact O-N 2.81Å; R178-K182 VanDerWaalsContact O-CG 3.26Å; R178-K182 WeakPolarHBondContact O-CG 3.37Å; R178-K182 PolarHBondContact O-N 3.01Å
179	K	96.5	Very high	95.6	Very high	81 Å²	81	103.8 Å²	103.8	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-74.6	-49.4	173.9	170.4	179.2	151	-140.6	0	110.9	H175 E176 R177 E181 K182 E183	H175-K179 PolarHBondContact O-N 3.22Å; E176-K179 WeakPolarHBondContact O-CB 3.46Å; E176-K179 PolarHBondContact O-N 2.92Å; E176-K179 VanDerWaalsContact O-N 3.15Å; E176-K179 IonicContact OE1-NZ 3.31Å; E176-K179 PolarHBondContact OE1-NZ 2.77Å; E176-K179 IonicContact OE2-NZ 2.7Å; E176-K179 PolarHBondContact OE2-NZ 3.02Å; R177-K179 VanDerWaalsContact C-N 3.28Å; R177-K179 PolarHBondContact O-N 3.11Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.38Å; K179-K182 WeakPolarHBondContact O-CB 3.47Å; K179-K182 PolarHBondContact O-N 3.02Å; K179-K182 VanDerWaalsContact O-N 3.1Å; K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 VanDerWaalsContact CG-OE1 3.24Å; K179-E183 WeakPolarHBondContact CG-OE1 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 2.82Å
180	L	95.5	Very high	95.4	Very high	101 Å²	101	106.8 Å²	106.8	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-38.5	173.4	-67.5	170.9	0	0	0	112.3	E176 R177 K182 E183 A184	E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 3.3Å; R177-L180 PolarHBondContact O-N 2.93Å; L180-K182 VanDerWaalsContact C-N 3.35Å; L180-K182 PolarHBondContact O-N 2.99Å; L180-E183 PolarHBondContact O-N 2.97Å; L180-A184 VanDerWaalsContact O-CB 3.22Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.02Å
181	E	95.6	Very high	95.2	Very high	84 Å²	84	106.8 Å²	106.8	39%	0.393	50%	0.496	S	S	.	.	H	α-helix	trans	-57.3	-45.8	171.1	-78	163.1	-165.6	0	0	111.1	R177 K179 A184 T185	R177-E181 IonicContact CZ-OE1 3.42Å; R177-E181 IonicContact NE-OE1 2.73Å; R177-E181 PolarHBondContact NE-OE1 3.38Å; R177-E181 IonicContact NH2-OE1 3.19Å; R177-E181 PolarHBondContact NH2-OE1 3.32Å; R177-E181 VanDerWaalsContact O-CB 3.29Å; R177-E181 WeakPolarHBondContact O-CB 3.45Å; R177-E181 WeakPolarHBondContact O-CG 2.98Å; R177-E181 PolarHBondContact O-N 3.41Å; K179-E181 VanDerWaalsContact C-N 3.34Å; K179-E181 PolarHBondContact O-N 3.38Å; E181-A184 PolarHBondContact O-N 3.03Å; E181-T185 WeakPolarHBondContact O-CG2 3.17Å; E181-T185 PolarHBondContact O-N 2.87Å
182	K	96	Very high	95	Very high	150 Å²	150	104.4 Å²	104.4	65%	0.652	49%	0.486	S	S	*	.	H	α-helix	trans	-63.6	-51	176	-75.6	168.6	-178.6	-178.3	0	111.9	R178 K179 L180 A184 T185 D186	R178-K182 VanDerWaalsContact O-CG 3.26Å; R178-K182 WeakPolarHBondContact O-CG 3.37Å; R178-K182 PolarHBondContact O-N 3.01Å; K179-K182 WeakPolarHBondContact O-CB 3.47Å; K179-K182 PolarHBondContact O-N 3.02Å; K179-K182 VanDerWaalsContact O-N 3.1Å; L180-K182 VanDerWaalsContact C-N 3.35Å; L180-K182 PolarHBondContact O-N 2.99Å; K182-A184 VanDerWaalsContact C-N 3.28Å; K182-A184 PolarHBondContact O-N 2.99Å; K182-T185 CarbonylContact O-C 3.58Å; K182-T185 WeakPolarHBondContact O-CA 3.48Å; K182-T185 PolarHBondContact O-N 2.98Å; K182-T185 PolarHBondContact O-OG1 3.4Å; K182-D186 PolarHBondContact O-N 3.39Å
183	E	95.2	Very high	94.6	Very high	94 Å²	94	103.7 Å²	103.7	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-56.4	-43	177.5	-70.3	168.2	-159	0	0	111.1	K179 L180 T185 D186 L187	K179-E183 WeakPolarHBondContact CE-OE1 3.46Å; K179-E183 VanDerWaalsContact CG-OE1 3.24Å; K179-E183 WeakPolarHBondContact CG-OE1 3.42Å; K179-E183 WeakPolarHBondContact O-CG 3.38Å; K179-E183 PolarHBondContact O-N 2.82Å; L180-E183 PolarHBondContact O-N 2.97Å; E183-T185 VanDerWaalsContact C-N 3.34Å; E183-T185 PolarHBondContact O-N 3.07Å; E183-D186 PolarHBondContact O-N 2.96Å; E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.46Å; E183-L187 PolarHBondContact O-N 3.35Å
184	A	94.4	Very high	94.2	Very high	40 Å²	40	101.4 Å²	101.4	33%	0.331	48%	0.48	S	S	.	.	H	α-helix	trans	-67.6	-26.7	173.7	0	0	0	0	0	113.7	L180 E181 K182 R188	L180-A184 VanDerWaalsContact O-CB 3.22Å; L180-A184 WeakPolarHBondContact O-CB 3.47Å; L180-A184 PolarHBondContact O-N 3.02Å; E181-A184 PolarHBondContact O-N 3.03Å; K182-A184 VanDerWaalsContact C-N 3.28Å; K182-A184 PolarHBondContact O-N 2.99Å; A184-R188 WeakPolarHBondContact O-CB 3.3Å; A184-R188 VanDerWaalsContact O-CG 3.3Å; A184-R188 WeakPolarHBondContact O-CG 3.47Å; A184-R188 PolarHBondContact O-N 2.99Å; A184-R188 PolarHBondContact O-NE 2.87Å
185	T	95.2	Very high	93.7	Very high	57 Å²	57	102.9 Å²	102.9	35%	0.35	49%	0.487	S	S	.	.	H	α-helix	trans	-75.2	-35.8	169.1	62	0	0	0	0	112.5	E181 K182 E183 R188 K189	E181-T185 WeakPolarHBondContact O-CG2 3.17Å; E181-T185 PolarHBondContact O-N 2.87Å; K182-T185 CarbonylContact O-C 3.58Å; K182-T185 WeakPolarHBondContact O-CA 3.48Å; K182-T185 PolarHBondContact O-N 2.98Å; K182-T185 PolarHBondContact O-OG1 3.4Å; E183-T185 VanDerWaalsContact C-N 3.34Å; E183-T185 PolarHBondContact O-N 3.07Å; T185-R188 PolarHBondContact O-N 3.08Å; T185-K189 WeakPolarHBondContact O-CG 3.45Å; T185-K189 PolarHBondContact O-N 2.98Å
186	D	95.6	Very high	93	Very high	94 Å²	94	102.5 Å²	102.5	50%	0.503	49%	0.489	S	S	.	.	H	α-helix	trans	-70	-45.6	178.3	-166.9	69.2	0	0	0	111.6	K182 E183 R188 K189 R190	K182-D186 PolarHBondContact O-N 3.39Å; E183-D186 PolarHBondContact O-N 2.96Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 3.33Å; D186-K189 WeakPolarHBondContact O-CB 3.32Å; D186-K189 PolarHBondContact O-N 3.02Å; D186-K189 VanDerWaalsContact O-N 3.1Å; D186-R190 WeakPolarHBondContact O-CB 3.31Å; D186-R190 PolarHBondContact O-N 3.45Å
187	L	95	Very high	91.9	Very high	112 Å²	112	106.9 Å²	106.9	59%	0.586	51%	0.507	S	S	*	.	H	α-helix	trans	-57.6	-38.9	172.3	-69.8	172.7	0	0	0	112	E183 R190 L191	E183-L187 WeakPolarHBondContact O-CB 3.35Å; E183-L187 WeakPolarHBondContact O-CG 3.46Å; E183-L187 PolarHBondContact O-N 3.35Å; L187-R190 PolarHBondContact O-N 3.48Å; L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 PolarHBondContact O-N 3.48Å
188	R	94.5	Very high	90.3	Very high	157 Å²	157	103.9 Å²	103.9	59%	0.592	51%	0.512	S	S	*	.	H	α-helix	trans	-65.7	-42.1	173.6	-82	179.7	-73.4	176.1	-3.6	112.8	A184 T185 D186 L191 A192	A184-R188 WeakPolarHBondContact O-CB 3.3Å; A184-R188 VanDerWaalsContact O-CG 3.3Å; A184-R188 WeakPolarHBondContact O-CG 3.47Å; A184-R188 PolarHBondContact O-N 2.99Å; A184-R188 PolarHBondContact O-NE 2.87Å; T185-R188 PolarHBondContact O-N 3.08Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 3.33Å; R188-L191 PolarHBondContact O-N 2.87Å; R188-A192 PolarHBondContact O-N 3.45Å
189	K	93.5	Very high	88.2	Confident	131 Å²	131	102.6 Å²	102.6	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-43.8	173.8	-70.3	169.3	-174.3	174.7	0	111.6	T185 D186 L191 A192 L193	T185-K189 WeakPolarHBondContact O-CG 3.45Å; T185-K189 PolarHBondContact O-N 2.98Å; D186-K189 WeakPolarHBondContact O-CB 3.32Å; D186-K189 PolarHBondContact O-N 3.02Å; D186-K189 VanDerWaalsContact O-N 3.1Å; K189-L191 VanDerWaalsContact C-N 3.35Å; K189-A192 PolarHBondContact O-N 3.31Å; K189-L193 WeakPolarHBondContact O-CB 3.49Å; K189-L193 WeakPolarHBondContact O-CG 3.1Å; K189-L193 PolarHBondContact O-N 2.87Å
190	R	92.6	Very high	85.9	Confident	166 Å²	166	103.1 Å²	103.1	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-38.4	177.9	-174.9	173.5	177.4	170.5	-1.8	111.9	D186 L187 L194	D186-R190 WeakPolarHBondContact O-CB 3.31Å; D186-R190 PolarHBondContact O-N 3.45Å; L187-R190 PolarHBondContact O-N 3.48Å; R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.41Å; R190-L194 PolarHBondContact O-N 3.43Å; R190-L194 VanDerWaalsContact O-N 3.1Å
191	L	92	Very high	83.6	Confident	100 Å²	100	104.7 Å²	104.7	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-46.1	173.5	-178.7	61.8	0	0	0	111.6	L187 R188 K189 L193 L194 I195	L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 PolarHBondContact O-N 3.48Å; R188-L191 PolarHBondContact O-N 2.87Å; K189-L191 VanDerWaalsContact C-N 3.35Å; L191-L193 PolarHBondContact O-N 3.41Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.89Å; L191-L194 VanDerWaalsContact O-N 3.08Å; L191-I195 HydrophobicContact CD1-CD1 4.35Å; L191-I195 HydrophobicContact CG-CD1 4.06Å; L191-I195 WeakPolarHBondContact O-CG1 3.38Å; L191-I195 PolarHBondContact O-N 3.3Å
192	A	90.4	Very high	81.4	Confident	45 Å²	45	112.1 Å²	112.1	37%	0.372	56%	0.563	S	S	.	*	H	α-helix	trans	-57.3	-48.8	174.8	0	0	0	0	0	111.6	R188 K189 L194 I195 D196	R188-A192 PolarHBondContact O-N 3.45Å; K189-A192 PolarHBondContact O-N 3.31Å; A192-L194 PolarHBondContact O-N 3.4Å; A192-L194 VanDerWaalsContact O-N 3.16Å; A192-I195 PolarHBondContact O-N 2.85Å; A192-D196 VanDerWaalsContact O-CG 3.29Å; A192-D196 PolarHBondContact O-N 3.23Å
193	L	89.2	Confident	79	Confident	99 Å²	99	112.7 Å²	112.7	52%	0.518	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-22.5	175.6	-72.9	171.2	0	0	0	114.3	K189 L191 K197	K189-L193 WeakPolarHBondContact O-CB 3.49Å; K189-L193 WeakPolarHBondContact O-CG 3.1Å; K189-L193 PolarHBondContact O-N 2.87Å; L191-L193 PolarHBondContact O-N 3.41Å; L193-K197 WeakPolarHBondContact O-CB 3.3Å; L193-K197 VanDerWaalsContact O-CD 3.29Å; L193-K197 WeakPolarHBondContact O-CD 3.35Å; L193-K197 WeakPolarHBondContact O-CG 3.39Å; L193-K197 PolarHBondContact O-N 3.45Å
194	L	87.3	Confident	76.4	Confident	104 Å²	104	118 Å²	118	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-82.9	-36.6	172.5	-75	169	0	0	0	111.6	R190 L191 A192 K197 A198	R190-L194 VanDerWaalsContact O-CG 3.31Å; R190-L194 WeakPolarHBondContact O-CG 3.41Å; R190-L194 PolarHBondContact O-N 3.43Å; R190-L194 VanDerWaalsContact O-N 3.1Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.89Å; L191-L194 VanDerWaalsContact O-N 3.08Å; A192-L194 PolarHBondContact O-N 3.4Å; A192-L194 VanDerWaalsContact O-N 3.16Å; L194-K197 PolarHBondContact O-N 3.39Å; L194-A198 VanDerWaalsContact O-CB 3.24Å; L194-A198 WeakPolarHBondContact O-CB 2.88Å; L194-A198 PolarHBondContact O-N 2.92Å
195	I	85.9	Confident	73.8	Confident	94 Å²	94	119.2 Å²	119.2	48%	0.482	61%	0.612	S	S	.	*	H	α-helix	trans	-64.3	-50.1	173.8	-67.5	165.3	0	0	0	110	L191 A192 K197 A198 T199	L191-I195 HydrophobicContact CD1-CD1 4.35Å; L191-I195 HydrophobicContact CG-CD1 4.06Å; L191-I195 WeakPolarHBondContact O-CG1 3.38Å; L191-I195 PolarHBondContact O-N 3.3Å; A192-I195 PolarHBondContact O-N 2.85Å; I195-K197 PolarHBondContact O-N 2.85Å; I195-A198 CarbonylContact O-C 3.53Å; I195-A198 WeakPolarHBondContact O-CA 3.41Å; I195-A198 WeakPolarHBondContact O-CB 3.49Å; I195-A198 PolarHBondContact O-N 3.34Å; I195-T199 PolarHBondContact O-N 2.87Å; I195-T199 VanDerWaalsContact O-N 3.14Å; I195-T199 PolarHBondContact O-OG1 3.34Å
196	D	80.3	Confident	71.3	Confident	106 Å²	106	125.9 Å²	125.9	57%	0.567	64%	0.639	S	S	*	*	H	α-helix	trans	-57.4	-38.5	178.5	-63.2	-27.3	0	0	0	111.9	A192 T199	A192-D196 VanDerWaalsContact O-CG 3.29Å; A192-D196 PolarHBondContact O-N 3.23Å; D196-T199 PolarHBondContact O-N 3.45Å; D196-T199 PolarHBondContact O-OG1 2.86Å
197	K	73.6	Confident	68.6	Low	163 Å²	163	130.9 Å²	130.9	71%	0.709	66%	0.657	S	S	*	*	H	α-helix	trans	-75.5	-25.5	175.4	-74.2	176.8	-175.2	-179.2	0	113.7	L193 L194 I195 T199	L193-K197 WeakPolarHBondContact O-CB 3.3Å; L193-K197 VanDerWaalsContact O-CD 3.29Å; L193-K197 WeakPolarHBondContact O-CD 3.35Å; L193-K197 WeakPolarHBondContact O-CG 3.39Å; L193-K197 PolarHBondContact O-N 3.45Å; L194-K197 PolarHBondContact O-N 3.39Å; I195-K197 PolarHBondContact O-N 2.85Å; K197-T199 VanDerWaalsContact C-N 3.26Å
198	A	62.3	Low	66.4	Low	77 Å²	77	131.7 Å²	131.7	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-81.1	-4.8	174.3	0	0	0	0	0	113	L194 I195 P200	L194-A198 VanDerWaalsContact O-CB 3.24Å; L194-A198 WeakPolarHBondContact O-CB 2.88Å; L194-A198 PolarHBondContact O-N 2.92Å; I195-A198 CarbonylContact O-C 3.53Å; I195-A198 WeakPolarHBondContact O-CA 3.41Å; I195-A198 WeakPolarHBondContact O-CB 3.49Å; I195-A198 PolarHBondContact O-N 3.34Å; A198-P200 WeakPolarHBondContact O-CD 3.44Å
199	T	52.1	Low	63.9	Low	99 Å²	99	130.5 Å²	130.5	61%	0.607	67%	0.672	S	S	*	*			trans	-105.4	52	174.1	49.8	0	0	0	0	115.4	I195 D196 K197 N201	I195-T199 PolarHBondContact O-N 2.87Å; I195-T199 VanDerWaalsContact O-N 3.14Å; I195-T199 PolarHBondContact O-OG1 3.34Å; D196-T199 PolarHBondContact O-N 3.45Å; D196-T199 PolarHBondContact O-OG1 2.86Å; K197-T199 VanDerWaalsContact C-N 3.26Å; T199-N201 PolarHBondContact O-N 2.98Å
200	P	48.3	Very low	61.6	Low	92 Å²	92	132.2 Å²	132.2	60%	0.597	68%	0.679	S	S	*	*			trans	-78.8	111.5	172	33.2	-31.3	0	0	0	111.4	A198 W202	A198-P200 WeakPolarHBondContact O-CD 3.44Å; P200-W202 PolarHBondContact O-N 3.23Å
201	N	46.6	Very low	59.3	Low	134 Å²	134	131.9 Å²	131.9	72%	0.717	69%	0.685	S	S	*	*			trans	58.2	55.5	149.5	-164.3	13	0	0	0	117.7	T199	T199-N201 PolarHBondContact O-N 2.98Å
202	W	48.7	Very low	56.6	Low	240 Å²	240	132.2 Å²	132.2	91%	0.909	70%	0.696	S	S	*	*			trans	-109.2	93	152.4	-76.9	70	0	0	0	109.1	P200	P200-W202 PolarHBondContact O-N 3.23Å
203	N	45.8	Very low	54.2	Low	162 Å²	162	136.2 Å²	136.2	87%	0.866	72%	0.719	S	S	*	*			trans	171.3	78.9	149.3	-88.7	-26	0	0	0	111.4
204	K	41.8	Very low	51.7	Low	205 Å²	205	136.9 Å²	136.9	89%	0.891	73%	0.732	S	S	*	*			trans	-83.4	106.8	158.4	-74.5	-178.3	179.5	176.8	0	108.4
205	G	38.2	Very low	49.9	Very low	67 Å²	67	138 Å²	138	69%	0.691	75%	0.745	S	S	*	*			trans	166.5	127.3	171	0	0	0	0	0	116.1
206	Q	43.9	Very low	47.7	Very low	197 Å²	197	139.8 Å²	139.8	92%	0.921	76%	0.761	S	S	*	*			trans	40.7	105.9	146.9	-70.4	172.1	-34.9	0	0	119.6
207	K	38.9	Very low	45.5	Very low	198 Å²	198	138.3 Å²	138.3	86%	0.861	77%	0.771	S	S	*	*			trans	-38.7	135.2	146	-53.6	165.3	179.6	176.1	0	111.2
208	T	48.7	Very low	43.9	Very low	130 Å²	130	138.3 Å²	138.3	80%	0.798	78%	0.778	S	S	*	*				178.7	149.2	110.8	29.7	0	0	0	0	112.5
209	N	41.2	Very low	42.6	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	79%	0.785	S	S	*	*			trans	51.1	130.8	152.2	-95.9	-32.4	0	0	0	121.5
210	K	45.7	Very low	41.9	Very low	167 Å²	167	142.9 Å²	142.9	73%	0.726	79%	0.793	S	S	*	*			trans	70.6	148.2	136.1	-71.6	175.6	-175.2	-176	0	117.8
211	Q	44.7	Very low	41.4	Very low	160 Å²	160	143.6 Å²	143.6	75%	0.748	80%	0.801	S	S	*	*			cis	-154.5	165	-18	-167	156.4	-26.9	0	0	107.8	C213	Q211-C213 PolarHBondContact O-N 3.48Å
212	S	36	Very low	40.9	Very low	107 Å²	107	144.8 Å²	144.8	75%	0.748	80%	0.802	S	S	*	*			trans	-61.6	127.3	-176.5	52.7	0	0	0	0	114
213	C	39.5	Very low	40.5	Very low	128 Å²	128	144.9 Å²	144.9	87%	0.865	80%	0.803	S	S	*	*			trans	-140.6	129.4	156.6	-86.4	0	0	0	0	109.4	Q211	Q211-C213 PolarHBondContact O-N 3.48Å
214	S	35.7	Very low	39.9	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-92.7	125.7	-177.1	50.5	0	0	0	0	111.6
215	P	49.1	Very low	39.7	Very low	127 Å²	127	142.4 Å²	142.4	83%	0.825	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-79.8	128.6	172.7	31.2	-32	0	0	0	111.5
216	T	41.1	Very low	39.6	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66.6	130.7	175	-52.5	0	0	0	0	111.4	L218	T216-L218 PolarHBondContact O-N 3.35Å
217	G	34.7	Very low	39.2	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	79%	0.79	S	S	*	*			trans	-88.2	96.2	177.8	0	0	0	0	0	113.5
218	L	38.2	Very low	39	Very low	164 Å²	164	140.1 Å²	140.1	86%	0.859	79%	0.79	S	S	*	*			trans	-148.2	108.2	164	-76.4	-178.5	0	0	0	111	T216	T216-L218 PolarHBondContact O-N 3.35Å
219	S	35	Very low	38.6	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	79%	0.792	S	S	*	*			trans	-178.4	126.7	149	-174.5	0	0	0	0	110.7
220	M	38.8	Very low	38.4	Very low	157 Å²	157	137.5 Å²	137.5	77%	0.773	79%	0.791	S	S	*	*				170.6	91.7	107.9	-171.8	155.5	-72.1	0	0	109.6
221	S	36.5	Very low	38.2	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	80%	0.8	S	S	*	*			trans	-94.7	164.4	165.1	-63.1	0	0	0	0	109.9
222	Q	36.4	Very low	37.6	Very low	159 Å²	159	139 Å²	139	74%	0.743	80%	0.795	S	S	*	*			trans	62.6	96.8	151.2	-171.7	177.8	-12.1	0	0	117.6	F224	Q222-F224 HydrophobicContact CG-CD2 4.45Å
223	W	39.7	Very low	37.8	Very low	242 Å²	242	139.4 Å²	139.4	92%	0.917	80%	0.796	S	S	*	*			trans	-124.2	147.7	141.6	-78.3	91.9	0	0	0	109.1
224	F	34.7	Very low	37.5	Very low	168 Å²	168	140 Å²	140	74%	0.737	79%	0.786	S	S	*	*			trans	-132	-179.5	-163.1	-131.2	-88.6	0	0	0	109.4	Q222	Q222-F224 HydrophobicContact CG-CD2 4.45Å
225	L	38	Very low	37.7	Very low	147 Å²	147	141.8 Å²	141.8	77%	0.77	79%	0.785	S	S	*	*			trans	74.9	98.4	159.9	-67.7	153.3	0	0	0	118.7
226	S	34.4	Very low	37.4	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	78%	0.777	S	S	*	*				37.3	128	112.4	-45.3	0	0	0	0	121.4
227	S	35.8	Very low	37.1	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	78%	0.78	S	S	*	*				-161.6	144.9	127.4	-80.6	0	0	0	0	111.3
228	E	35.7	Very low	37.2	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	79%	0.786	S	S	*	*			trans	-78.5	162.2	169.5	-66.2	141.3	95	0	0	111.9
229	V	40	Very low	37.1	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	78%	0.783	S	S	*	*				178.3	120.5	121.7	152.1	0	0	0	0	107.4
230	G	35.7	Very low	37.4	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	78%	0.781	S	S	*	*			trans	-95	-178.8	-173.7	0	0	0	0	0	115.4
231	K	41.6	Very low	37.4	Very low	208 Å²	208	140.7 Å²	140.7	90%	0.904	78%	0.778	S	S	*	*			trans	-163.4	134.1	159.8	-102.7	146.1	-172.2	176.1	0	110.9
232	K	32.9	Very low	37.6	Very low	150 Å²	150	141.2 Å²	141.2	65%	0.652	78%	0.782	S	S	*	*			trans	-107.2	142.9	172.5	-157.8	-157	-178.6	-163.8	0	107.7	E234	K232-E234 HydrophobicContact CD-CB 4.24Å; K232-E234 HydrophobicContact CG-CB 4.45Å; K232-E234 IonicContact NZ-OE1 2.64Å; K232-E234 PolarHBondContact NZ-OE1 2.96Å; K232-E234 IonicContact NZ-OE2 2.77Å; K232-E234 PolarHBondContact NZ-OE2 3.09Å
233	P	40.5	Very low	37.6	Very low	117 Å²	117	138.4 Å²	138.4	76%	0.76	78%	0.78	S	S	*	*				-139.3	160.3	93.9	34.7	-19	0	0	0	112.2
234	E	32.5	Very low	37.7	Very low	139 Å²	139	138.7 Å²	138.7	65%	0.65	78%	0.781	S	S	*	*			cis	81.1	81.4	26	-169.8	153.9	-107.3	0	0	116.8	K232	K232-E234 HydrophobicContact CD-CB 4.24Å; K232-E234 HydrophobicContact CG-CB 4.45Å; K232-E234 IonicContact NZ-OE1 2.64Å; K232-E234 PolarHBondContact NZ-OE1 2.96Å; K232-E234 IonicContact NZ-OE2 2.77Å; K232-E234 PolarHBondContact NZ-OE2 3.09Å
235	I	40.1	Very low	37.9	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	79%	0.787	S	S	*	*			trans	-146.5	117.2	162.4	-69.6	-166.1	0	0	0	111.8
236	T	42.5	Very low	37.9	Very low	108 Å²	108	144.8 Å²	144.8	66%	0.663	80%	0.795	S	S	*	*			trans	50.8	119.1	152.2	65.9	0	0	0	0	125.9
237	N	35.7	Very low	38	Very low	162 Å²	162	142.9 Å²	142.9	87%	0.866	79%	0.792	S	S	*	*				56.9	135.9	113.6	-48.1	-11.5	0	0	0	123.4
238	G	36.7	Very low	38	Very low	86 Å²	86	143 Å²	143	89%	0.887	79%	0.793	S	S	*	*			trans	171.4	80.3	161.6	0	0	0	0	0	116.4
239	E	35.8	Very low	38	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	79%	0.787	S	S	*	*			trans	-123.6	152.2	168.5	-147.6	-161.2	-134.5	0	0	108.7
240	P	42.1	Very low	37.8	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	78%	0.778	S	S	*	*				-157.8	148.5	93.8	39.4	-19.4	0	0	0	118.9
241	S	37.7	Very low	37.9	Very low	104 Å²	104	146 Å²	146	73%	0.727	79%	0.785	S	S	*	*			trans	32.7	126.4	132.8	-66.7	0	0	0	0	124.1
242	S	40.5	Very low	37.5	Very low	118 Å²	118	141.8 Å²	141.8	83%	0.825	78%	0.777	S	S	*	*			trans	-166.1	126.2	132.9	-171.2	0	0	0	0	109.3
243	S	36.8	Very low	37.8	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	79%	0.789	S	S	*	*			cis	108.2	103.4	21.9	-172.7	0	0	0	0	113.9
244	R	41.8	Very low	37.5	Very low	248 Å²	248	143.1 Å²	143.1	94%	0.936	79%	0.794	S	S	*	*			trans	-167.5	159.4	135.6	-103.1	161.6	-155.8	-134.1	2.8	112
245	R	38.1	Very low	37.6	Very low	231 Å²	231	139.7 Å²	139.7	87%	0.872	80%	0.796	S	S	*	*			trans	-116.4	-178.5	-170.6	-81.3	-177.1	170.7	-177.8	-2.2	112.1
246	F	39.1	Very low	37.4	Very low	211 Å²	211	141 Å²	141	93%	0.925	80%	0.804	S	S	*	*			trans	103.4	130.2	162.8	-59.5	-70.9	0	0	0	115.1
247	G	35.7	Very low	36.9	Very low	67 Å²	67	139 Å²	139	69%	0.691	81%	0.806	S	S	*	*			cis	151.1	138.5	-15.7	0	0	0	0	0	114.9
248	S	37.6	Very low	36.8	Very low	125 Å²	125	136.9 Å²	136.9	87%	0.874	80%	0.803	S	S	*	*			trans	73.7	155.5	172.4	-156.7	0	0	0	0	116.5
249	S	33.8	Very low	36.9	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	80%	0.796	S	S	*	*			cis	-177.4	-173.9	-38.1	-173.4	0	0	0	0	108.9
250	I	37.4	Very low	36.8	Very low	130 Å²	130	138.6 Å²	138.6	67%	0.667	79%	0.794	S	S	*	*			trans	95.4	110.4	155	-58.3	178.7	0	0	0	119.2
251	R	36.9	Very low	36.5	Very low	218 Å²	218	143.1 Å²	143.1	82%	0.823	80%	0.802	S	S	*	*			trans	61.5	126.1	149.9	-63.3	168.1	-164.7	-156.2	1.7	118.5
252	T	33.2	Very low	36.1	Very low	120 Å²	120	145.5 Å²	145.5	74%	0.736	80%	0.802	S	S	*	*			cis	69.3	112.2	39.5	78.2	0	0	0	0	116
253	N	39.2	Very low	35.7	Very low	171 Å²	171	145.3 Å²	145.3	91%	0.914	80%	0.8	S	S	*	*			trans	-154.1	158.5	140.7	-103.7	-11.3	0	0	0	109.2
254	S	34	Very low	35.6	Very low	124 Å²	124	147.6 Å²	147.6	87%	0.867	80%	0.804	S	S	*	*			trans	-135.7	150.6	-161.8	51.7	0	0	0	0	114
255	G	34.2	Very low	35.2	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	79%	0.793	S	S	*	*			trans	153.3	156.4	161.6	0	0	0	0	0	113.5
256	L	36.2	Very low	34.8	Very low	179 Å²	179	134.9 Å²	134.9	94%	0.937	78%	0.784	S	S	*	*			cis	-175.3	141	-24.2	-119	163.3	0	0	0	106.6
257	G	33	Very low	34.6	Very low	68 Å²	68	131.9 Å²	131.9	70%	0.701	78%	0.782	S	S	*	*			trans	98.9	111.7	-174.3	0	0	0	0	0	112.1
258	S	33.7	Very low	34.6	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	78%	0.784	S	S	*	*			cis	65.6	121.7	35.3	-146.3	0	0	0	0	111.3
259	T	37.8	Very low	34.1	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	78%	0.777	S	S	*	*			cis	-147.2	148.8	38.1	47.2	0	0	0	0	115.6
260	K	34.9	Very low	34.1	Very low	173 Å²	173	138.7 Å²	138.7	75%	0.752	78%	0.784	S	S	*	*			trans	29.3	120.9	145.3	-61.3	-173.8	175.5	-167.3	0	120.4
261	F	34.4	Very low	33.9	Very low	210 Å²	210	140 Å²	140	92%	0.921	79%	0.792	S	S	*	*				-145.9	132.9	111.8	-126.7	-84.6	0	0	0	109.9
262	E	30.5	Very low	33.8	Very low	154 Å²	154	134.1 Å²	134.1	72%	0.72	78%	0.784	S	S	*	*			trans	-97.2	144.1	175.3	-66.7	163.1	97.8	0	0	109.4
263	S	31.2	Very low	33.7	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	79%	0.787	S	S	*	*				168.6	160.4	122.7	-74.2	0	0	0	0	113.6
264	L	36	Very low	33.7	Very low	150 Å²	150	135.1 Å²	135.1	79%	0.785	78%	0.778	S	S	*	*			trans	78	86.8	161.4	-52.6	-167.1	0	0	0	119.9
265	T	33.5	Very low	33.8	Very low	116 Å²	116	137.9 Å²	137.9	71%	0.712	77%	0.774	S	S	*	*				61.3	91.6	123	56.3	0	0	0	0	120.8
266	S	28.2	Very low	34.3	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	78%	0.775	S	S	*	*				44.5	101.1	116.7	64.2	0	0	0	0	120.3
267	V	36.3	Very low	34.2	Very low	147 Å²	147	141.8 Å²	141.8	89%	0.891	77%	0.768	S	S	*	*				-127.2	122.6	129	179.5	0	0	0	0	107.6
268	N	34	Very low	34.7	Very low	136 Å²	136	150 Å²	150	73%	0.727	78%	0.778	S	S	*	*			trans	-88.4	136.1	-174.6	-81	-27.6	0	0	0	112.4	F270	N268-F270 PolarHBondContact O-N 3.41Å
269	S	28.5	Very low	35	Very low	103 Å²	103	151.4 Å²	151.4	72%	0.72	78%	0.777	S	S	*	*			trans	28.9	86.9	138.4	-169.2	0	0	0	0	118.2
270	F	33.4	Very low	35.5	Very low	200 Å²	200	151.8 Å²	151.8	88%	0.877	78%	0.779	S	S	*	*			trans	-118.8	68.1	157.6	-93	-84.6	0	0	0	110.5	N268	N268-F270 PolarHBondContact O-N 3.41Å
271	N	33.7	Very low	36	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	79%	0.785	S	S	*	*			trans	-141.2	56.5	173.7	-161.6	4.4	0	0	0	112.2
272	S	34.4	Very low	36.7	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	77%	0.771	S	S	*	*	S	Bend	trans	-155.4	136.3	169.1	58.2	0	0	0	0	112	I274	S272-I274 PolarHBondContact O-N 3.12Å
273	H	30.8	Very low	37.6	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.787	76%	0.758	S	S	*	*			trans	50.7	54.1	155.9	-93.7	-75.9	0	0	0	119.5	K275	H273-K275 VanDerWaalsContact C-N 3.29Å; H273-K275 PolarHBondContact O-N 3.45Å
274	I	40	Very low	38.6	Very low	143 Å²	143	149 Å²	149	73%	0.733	76%	0.762	S	S	*	*			trans	-83.6	80.8	152.6	-61.5	-175.5	0	0	0	108.4	S272 Y276	S272-I274 PolarHBondContact O-N 3.12Å; I274-Y276 HydrophobicContact CB-CD2 4.18Å; I274-Y276 HydrophobicContact CB-CE2 4.34Å; I274-Y276 HydrophobicContact CG1-CE2 4.28Å; I274-Y276 HydrophobicContact CG2-CD2 3.57Å; I274-Y276 HydrophobicContact CG2-CE2 4.05Å; I274-Y276 HydrophobicContact CG2-CG 4.49Å
275	K	36.2	Very low	39.6	Very low	181 Å²	181	144.9 Å²	144.9	79%	0.787	75%	0.75	S	S	*	*			trans	-114	73.1	169.6	-173.1	-166.9	176.8	-169	0	108.1	H273	H273-K275 VanDerWaalsContact C-N 3.29Å; H273-K275 PolarHBondContact O-N 3.45Å
276	Y	42.7	Very low	41.5	Very low	177 Å²	177	143.9 Å²	143.9	69%	0.694	74%	0.74	S	S	*	*			trans	-93	126.7	-174.3	-81.5	-109	0	0	0	111.1	I274	I274-Y276 HydrophobicContact CB-CD2 4.18Å; I274-Y276 HydrophobicContact CB-CE2 4.34Å; I274-Y276 HydrophobicContact CG1-CE2 4.28Å; I274-Y276 HydrophobicContact CG2-CD2 3.57Å; I274-Y276 HydrophobicContact CG2-CE2 4.05Å; I274-Y276 HydrophobicContact CG2-CG 4.49Å
277	D	35.9	Very low	43.7	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	73%	0.732	S	S	*	*			trans	-59	148.3	152.9	-83.6	-53.9	0	0	0	109.3
278	W	42.9	Very low	45.6	Very low	241 Å²	241	140 Å²	140	91%	0.913	71%	0.711	S	S	*	*			trans	-101.6	15.1	-178	-91.6	93	0	0	0	113.8
279	D	39	Very low	47.9	Very low	146 Å²	146	137.1 Å²	137.1	78%	0.781	70%	0.702	S	S	*	*			trans	-89.2	160.5	171	-95.9	-47.1	0	0	0	112.1
280	V	49.7	Very low	50.3	Low	127 Å²	127	137 Å²	137	77%	0.77	69%	0.693	S	S	*	*	S	Bend	trans	73.5	81	-175.9	-166.1	0	0	0	0	115.2	T282	V280-T282 PolarHBondContact O-N 2.9Å
281	Q	44.5	Very low	52.5	Low	188 Å²	188	131.6 Å²	131.6	88%	0.879	67%	0.672	S	S	*	*			trans	31.6	65.6	132.5	-61.9	-178.1	-9.7	0	0	117.9
282	T	48.5	Very low	54.8	Low	104 Å²	104	127.6 Å²	127.6	64%	0.638	65%	0.653	S	S	*	*			trans	-64	130.6	153.3	36.1	0	0	0	0	108.9	V280 R284	V280-T282 PolarHBondContact O-N 2.9Å; T282-R284 PolarHBondContact O-N 3.48Å
283	P	50.8	Low	57.1	Low	70 Å²	70	129 Å²	129	46%	0.455	65%	0.649	S	S	.	*			trans	-67.8	139.5	-178	29.1	-34.1	0	0	0	109.4	A285 D286	P283-A285 PolarHBondContact O-N 3.45Å; P283-D286 HydrophobicContact CG-CB 4.24Å; P283-D286 WeakPolarHBondContact CG-OD2 3.34Å; P283-D286 PolarHBondContact O-N 2.93Å
284	R	51.3	Low	59.4	Low	230 Å²	230	127.3 Å²	127.3	87%	0.868	64%	0.642	S	S	*	*	H	α-helix	trans	-57.9	-22.9	-171.1	-149.7	177.7	-168.9	-178.1	3.1	113.8	T282 S288	T282-R284 PolarHBondContact O-N 3.48Å; R284-S288 PolarHBondContact O-N 2.96Å; R284-S288 PolarHBondContact O-OG 2.94Å
285	A	57.5	Low	61.3	Low	64 Å²	64	125.8 Å²	125.8	53%	0.529	64%	0.635	S	S	.	*	H	α-helix	trans	-66.7	-43.3	175	0	0	0	0	0	113	P283 L287 S288 S289	P283-A285 PolarHBondContact O-N 3.45Å; A285-L287 PolarHBondContact O-N 2.68Å; A285-S288 WeakPolarHBondContact CA-OG 3.39Å; A285-S288 PolarHBondContact O-N 3.38Å; A285-S288 PolarHBondContact O-OG 3.34Å; A285-S289 PolarHBondContact O-N 2.87Å
286	D	72.4	Confident	63.5	Low	96 Å²	96	122.2 Å²	122.2	51%	0.513	62%	0.621	S	S	.	*	H	α-helix	trans	-67	-39.8	-177.4	-65.5	0.3	0	0	0	110.7	P283 S288 S289 L290	P283-D286 HydrophobicContact CG-CB 4.24Å; P283-D286 WeakPolarHBondContact CG-OD2 3.34Å; P283-D286 PolarHBondContact O-N 2.93Å; D286-S288 PolarHBondContact O-N 2.93Å; D286-S289 PolarHBondContact O-N 2.85Å; D286-L290 WeakPolarHBondContact O-CB 3.47Å; D286-L290 PolarHBondContact O-N 3.39Å
287	L	75.9	Confident	65.2	Low	95 Å²	95	116.8 Å²	116.8	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-62.5	-41.6	174	-178.2	61.5	0	0	0	111.7	A285 L290 I291	A285-L287 PolarHBondContact O-N 2.68Å; L287-L290 PolarHBondContact O-N 2.93Å; L287-I291 HydrophobicContact CD1-CD1 4.09Å; L287-I291 HydrophobicContact CD1-CG1 4.41Å; L287-I291 HydrophobicContact CG-CD1 3.97Å; L287-I291 WeakPolarHBondContact O-CB 3.32Å; L287-I291 WeakPolarHBondContact O-CD1 3.44Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.33Å; L287-I291 PolarHBondContact O-N 3.09Å
288	S	76.2	Confident	67.3	Low	65 Å²	65	114.1 Å²	114.1	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-65.7	-37.6	173.1	44.3	0	0	0	0	112.7	R284 A285 D286 I291 V292	R284-S288 PolarHBondContact O-N 2.96Å; R284-S288 PolarHBondContact O-OG 2.94Å; A285-S288 WeakPolarHBondContact CA-OG 3.39Å; A285-S288 PolarHBondContact O-N 3.38Å; A285-S288 PolarHBondContact O-OG 3.34Å; D286-S288 PolarHBondContact O-N 2.93Å; S288-I291 PolarHBondContact O-N 2.77Å; S288-V292 WeakPolarHBondContact O-CB 3.41Å; S288-V292 VanDerWaalsContact O-CG2 3.3Å; S288-V292 WeakPolarHBondContact O-CG2 3.49Å; S288-V292 PolarHBondContact O-N 2.92Å
289	S	80.9	Confident	69	Low	76 Å²	76	108.4 Å²	108.4	53%	0.531	57%	0.57	S	S	.	*	H	α-helix	trans	-65.4	-41.3	176.5	-165.3	0	0	0	0	111.9	A285 D286 V292 Q293	A285-S289 PolarHBondContact O-N 2.87Å; D286-S289 PolarHBondContact O-N 2.85Å; S289-V292 PolarHBondContact O-N 2.79Å; S289-Q293 WeakPolarHBondContact O-CB 3.25Å; S289-Q293 PolarHBondContact O-N 3.24Å
290	L	79.9	Confident	70.9	Confident	102 Å²	102	106.4 Å²	106.4	53%	0.534	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-41.8	176.8	-173.1	69.4	0	0	0	111.8	D286 L287 Q293 Q294	D286-L290 WeakPolarHBondContact O-CB 3.47Å; D286-L290 PolarHBondContact O-N 3.39Å; L287-L290 PolarHBondContact O-N 2.93Å; L290-Q293 PolarHBondContact O-N 2.65Å; L290-Q294 WeakPolarHBondContact O-CB 3.35Å; L290-Q294 PolarHBondContact O-N 3.09Å
291	I	79.2	Confident	72.2	Confident	85 Å²	85	104 Å²	104	44%	0.436	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-43.7	175.5	-70.4	166.3	0	0	0	110.8	L287 S288 Q294 L295	L287-I291 HydrophobicContact CD1-CD1 4.09Å; L287-I291 HydrophobicContact CD1-CG1 4.41Å; L287-I291 HydrophobicContact CG-CD1 3.97Å; L287-I291 WeakPolarHBondContact O-CB 3.32Å; L287-I291 WeakPolarHBondContact O-CD1 3.44Å; L287-I291 VanDerWaalsContact O-CG1 3.24Å; L287-I291 WeakPolarHBondContact O-CG1 3.33Å; L287-I291 PolarHBondContact O-N 3.09Å; S288-I291 PolarHBondContact O-N 2.77Å; I291-Q294 PolarHBondContact O-N 2.83Å; I291-L295 HydrophobicContact CG2-CD1 3.93Å; I291-L295 HydrophobicContact CG2-CG 4.47Å; I291-L295 WeakPolarHBondContact O-CB 3.41Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 3.06Å
292	V	82	Confident	73.6	Confident	73 Å²	73	97.3 Å²	97.3	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-49	175.1	168.7	0	0	0	0	110.6	S288 S289 Q294 L295 E296	S288-V292 WeakPolarHBondContact O-CB 3.41Å; S288-V292 VanDerWaalsContact O-CG2 3.3Å; S288-V292 WeakPolarHBondContact O-CG2 3.49Å; S288-V292 PolarHBondContact O-N 2.92Å; S289-V292 PolarHBondContact O-N 2.79Å; V292-Q294 VanDerWaalsContact C-N 3.3Å; V292-Q294 PolarHBondContact O-N 3.46Å; V292-L295 PolarHBondContact O-N 2.84Å; V292-L295 VanDerWaalsContact O-N 3.11Å; V292-E296 HydrophobicContact CG1-CG 4.28Å; V292-E296 WeakPolarHBondContact O-CB 3.14Å; V292-E296 WeakPolarHBondContact O-CG 3.48Å; V292-E296 PolarHBondContact O-N 3.2Å
293	Q	82.7	Confident	74.9	Confident	125 Å²	125	96.9 Å²	96.9	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-60.1	-37.8	178.6	-170.3	179.8	17.8	0	0	112.7	S289 L290 E296 S297	S289-Q293 WeakPolarHBondContact O-CB 3.25Å; S289-Q293 PolarHBondContact O-N 3.24Å; L290-Q293 PolarHBondContact O-N 2.65Å; Q293-E296 PolarHBondContact O-N 3.19Å; Q293-S297 PolarHBondContact O-N 3.34Å
294	Q	79.1	Confident	76.2	Confident	134 Å²	134	100.5 Å²	100.5	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-71.8	-34.1	176.3	-172.3	174.5	2.3	0	0	112.5	L290 I291 V292 S297 R298	L290-Q294 WeakPolarHBondContact O-CB 3.35Å; L290-Q294 PolarHBondContact O-N 3.09Å; I291-Q294 PolarHBondContact O-N 2.83Å; V292-Q294 VanDerWaalsContact C-N 3.3Å; V292-Q294 PolarHBondContact O-N 3.46Å; Q294-S297 PolarHBondContact O-OG 2.91Å; Q294-R298 WeakPolarHBondContact O-CB 3.47Å; Q294-R298 PolarHBondContact O-N 3.21Å
295	L	80.1	Confident	77.5	Confident	112 Å²	112	91.5 Å²	91.5	59%	0.586	48%	0.479	S	S	*	.	H	α-helix	trans	-70	-39.7	172.3	-71.4	170	0	0	0	111.4	I291 V292 R298 Q299	I291-L295 HydrophobicContact CG2-CD1 3.93Å; I291-L295 HydrophobicContact CG2-CG 4.47Å; I291-L295 WeakPolarHBondContact O-CB 3.41Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 3.06Å; V292-L295 PolarHBondContact O-N 2.84Å; V292-L295 VanDerWaalsContact O-N 3.11Å; L295-R298 PolarHBondContact O-N 3.38Å; L295-Q299 VanDerWaalsContact O-CB 3.26Å; L295-Q299 WeakPolarHBondContact O-CB 3.36Å; L295-Q299 PolarHBondContact O-N 2.94Å
296	E	81.6	Confident	78.3	Confident	106 Å²	106	90.2 Å²	90.2	50%	0.495	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-41.2	174.1	-73.7	175.5	168.7	0	0	111.9	V292 Q293 Q299 N300	V292-E296 HydrophobicContact CG1-CG 4.28Å; V292-E296 WeakPolarHBondContact O-CB 3.14Å; V292-E296 WeakPolarHBondContact O-CG 3.48Å; V292-E296 PolarHBondContact O-N 3.2Å; Q293-E296 PolarHBondContact O-N 3.19Å; E296-Q299 PolarHBondContact O-N 2.65Å; E296-N300 PolarHBondContact O-N 2.82Å; E296-N300 PolarHBondContact O-ND2 3.04Å
297	S	78.6	Confident	78.7	Confident	62 Å²	62	93.4 Å²	93.4	43%	0.434	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-49.7	173.2	104.8	0	0	0	0	110.4	Q293 Q294 Q299 N300 D301	Q293-S297 PolarHBondContact O-N 3.34Å; Q294-S297 PolarHBondContact O-OG 2.91Å; S297-Q299 VanDerWaalsContact C-N 3.27Å; S297-Q299 PolarHBondContact O-N 2.96Å; S297-N300 PolarHBondContact O-N 2.96Å; S297-D301 VanDerWaalsContact O-CG 3.23Å; S297-D301 PolarHBondContact O-N 3.26Å
298	R	79.6	Confident	78.7	Confident	96 Å²	96	92.1 Å²	92.1	36%	0.362	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-31	-179.9	-175.6	62	-161.3	142.7	3	112.7	Q294 L295 D301 L302 E305	Q294-R298 WeakPolarHBondContact O-CB 3.47Å; Q294-R298 PolarHBondContact O-N 3.21Å; L295-R298 PolarHBondContact O-N 3.38Å; R298-D301 VanDerWaalsContact NH1-CB 3.32Å; R298-L302 HydrophobicContact CG-CD1 4.21Å; R298-L302 VanDerWaalsContact NH2-CD2 3.27Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.47Å; R298-L302 VanDerWaalsContact O-CG 3.27Å; R298-L302 WeakPolarHBondContact O-CG 3.46Å; R298-L302 PolarHBondContact O-N 3.23Å; R298-E305 IonicContact CZ-OE1 2.7Å; R298-E305 IonicContact CZ-OE2 3.79Å; R298-E305 IonicContact NH1-OE1 2.81Å; R298-E305 PolarHBondContact NH1-OE1 2.97Å; R298-E305 IonicContact NH1-OE2 3.16Å; R298-E305 IonicContact NH2-OE1 3.41Å; R298-E305 PolarHBondContact NH2-OE1 2.68Å; R298-E305 VanDerWaalsContact NH2-OE1 3.16Å; R298-E305 IonicContact NH2-OE2 3.8Å; R298-E305 PolarHBondContact NH2-OE2 3.07Å
299	Q	78.8	Confident	78.7	Confident	120 Å²	120	89.7 Å²	89.7	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-65.8	-43.2	172.3	177.7	175.9	-26.9	0	0	111.4	L295 E296 S297 L302 L303	L295-Q299 VanDerWaalsContact O-CB 3.26Å; L295-Q299 WeakPolarHBondContact O-CB 3.36Å; L295-Q299 PolarHBondContact O-N 2.94Å; E296-Q299 PolarHBondContact O-N 2.65Å; S297-Q299 VanDerWaalsContact C-N 3.27Å; S297-Q299 PolarHBondContact O-N 2.96Å; Q299-L302 PolarHBondContact O-N 3.17Å; Q299-L303 HydrophobicContact CG-CD1 4.23Å; Q299-L303 WeakPolarHBondContact O-CB 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.24Å; Q299-L303 PolarHBondContact O-N 3.49Å
300	N	80.5	Confident	78.4	Confident	104 Å²	104	93 Å²	93	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-65.8	-41.8	175.2	-74.8	-60.8	0	0	0	111.9	E296 S297 L302 L303 Y304	E296-N300 PolarHBondContact O-N 2.82Å; E296-N300 PolarHBondContact O-ND2 3.04Å; S297-N300 PolarHBondContact O-N 2.96Å; N300-L302 PolarHBondContact O-N 3.16Å; N300-L303 PolarHBondContact O-N 2.96Å; N300-Y304 PolarHBondContact O-N 3.3Å
301	D	77	Confident	78.4	Confident	76 Å²	76	91.5 Å²	91.5	41%	0.406	44%	0.435	S	S	.	.	H	α-helix	trans	-58.4	-48.1	173	-58.4	-33.5	0	0	0	110.9	S297 R298 L303 Y304 E305	S297-D301 VanDerWaalsContact O-CG 3.23Å; S297-D301 PolarHBondContact O-N 3.26Å; R298-D301 VanDerWaalsContact NH1-CB 3.32Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 2.82Å; D301-Y304 WeakPolarHBondContact O-CB 3.41Å; D301-Y304 PolarHBondContact O-N 2.84Å; D301-Y304 VanDerWaalsContact O-N 3.16Å; D301-E305 WeakPolarHBondContact O-CB 3.35Å; D301-E305 WeakPolarHBondContact O-CG 3.21Å; D301-E305 PolarHBondContact O-N 2.7Å
302	L	73.6	Confident	78.4	Confident	49 Å²	49	88.9 Å²	88.9	26%	0.257	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-36.1	176.9	-81.1	167.8	0	0	0	112.7	R298 Q299 N300 N306	R298-L302 HydrophobicContact CG-CD1 4.21Å; R298-L302 VanDerWaalsContact NH2-CD2 3.27Å; R298-L302 VanDerWaalsContact O-CB 3.31Å; R298-L302 WeakPolarHBondContact O-CB 3.47Å; R298-L302 VanDerWaalsContact O-CG 3.27Å; R298-L302 WeakPolarHBondContact O-CG 3.46Å; R298-L302 PolarHBondContact O-N 3.23Å; Q299-L302 PolarHBondContact O-N 3.17Å; N300-L302 PolarHBondContact O-N 3.16Å; L302-N306 VanDerWaalsContact O-CB 3.24Å; L302-N306 WeakPolarHBondContact O-CB 3.35Å; L302-N306 PolarHBondContact O-N 3.39Å; L302-N306 PolarHBondContact O-ND2 2.92Å
303	L	75.9	Confident	78.1	Confident	95 Å²	95	89 Å²	89	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-37	175.2	-74.9	169.3	0	0	0	111.7	Q299 N300 D301 R307	Q299-L303 HydrophobicContact CG-CD1 4.23Å; Q299-L303 WeakPolarHBondContact O-CB 3.27Å; Q299-L303 VanDerWaalsContact O-CG 3.26Å; Q299-L303 WeakPolarHBondContact O-CG 3.24Å; Q299-L303 PolarHBondContact O-N 3.49Å; N300-L303 PolarHBondContact O-N 2.96Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 2.82Å; L303-R307 PolarHBondContact O-N 2.97Å
304	Y	78.4	Confident	77.9	Confident	146 Å²	146	86.6 Å²	86.6	57%	0.573	42%	0.42	S	S	*	.	H	α-helix	trans	-67.1	-51	173	-166.8	-80.5	0	0	0	111.2	N300 D301 N306 R307 E308	N300-Y304 PolarHBondContact O-N 3.3Å; D301-Y304 WeakPolarHBondContact O-CB 3.41Å; D301-Y304 PolarHBondContact O-N 2.84Å; D301-Y304 VanDerWaalsContact O-N 3.16Å; Y304-N306 VanDerWaalsContact C-N 3.29Å; Y304-N306 PolarHBondContact O-N 2.9Å; Y304-R307 WeakPolarHBondContact O-CA 3.43Å; Y304-R307 WeakPolarHBondContact O-CB 3.28Å; Y304-R307 PolarHBondContact O-N 3.47Å; Y304-E308 HydrophobicContact CD1-CG 3.82Å; Y304-E308 HydrophobicContact CE1-CG 3.37Å; Y304-E308 WeakPolarHBondContact CE1-OE1 3.46Å; Y304-E308 PolarHBondContact O-N 3.26Å; Y304-E308 PolarHBondContact OH-OE1 2.97Å
305	E	77.7	Confident	77.8	Confident	41 Å²	41	85.1 Å²	85.1	19%	0.192	41%	0.413	C	S	.	.	H	α-helix	trans	-53.6	-43.8	174.1	-72.5	173.1	-159.7	0	0	111.7	R298 D301 R307 L309 Y400	R298-E305 IonicContact CZ-OE1 2.7Å; R298-E305 IonicContact CZ-OE2 3.79Å; R298-E305 IonicContact NH1-OE1 2.81Å; R298-E305 PolarHBondContact NH1-OE1 2.97Å; R298-E305 IonicContact NH1-OE2 3.16Å; R298-E305 IonicContact NH2-OE1 3.41Å; R298-E305 PolarHBondContact NH2-OE1 2.68Å; R298-E305 VanDerWaalsContact NH2-OE1 3.16Å; R298-E305 IonicContact NH2-OE2 3.8Å; R298-E305 PolarHBondContact NH2-OE2 3.07Å; D301-E305 WeakPolarHBondContact O-CB 3.35Å; D301-E305 WeakPolarHBondContact O-CG 3.21Å; D301-E305 PolarHBondContact O-N 2.7Å; E305-R307 VanDerWaalsContact C-N 3.33Å; E305-R307 PolarHBondContact O-N 3.34Å; E305-L309 WeakPolarHBondContact O-CG 3.28Å; E305-L309 PolarHBondContact O-N 3.46Å; E305-Y400 HydrophobicContact CB-CD2 4.02Å; E305-Y400 HydrophobicContact CB-CG 4.15Å; E305-Y400 HydrophobicContact CG-CD2 4.32Å; E305-Y400 HydrophobicContact CG-CG 3.95Å
306	N	74.9	Confident	77.6	Confident	37 Å²	37	80.8 Å²	80.8	20%	0.198	39%	0.39	C	S	.	.	H	α-helix	trans	-71.7	-23.5	177	-87.7	-96.4	0	0	0	113.6	L302 Y304 R310	L302-N306 VanDerWaalsContact O-CB 3.24Å; L302-N306 WeakPolarHBondContact O-CB 3.35Å; L302-N306 PolarHBondContact O-N 3.39Å; L302-N306 PolarHBondContact O-ND2 2.92Å; Y304-N306 VanDerWaalsContact C-N 3.29Å; Y304-N306 PolarHBondContact O-N 2.9Å; N306-R310 WeakPolarHBondContact O-CG 3.37Å; N306-R310 PolarHBondContact O-N 2.89Å; N306-R310 PolarHBondContact O-NE 3.43Å; N306-R310 VanDerWaalsContact O-NE 3.08Å; N306-R310 PolarHBondContact O-NH2 3.46Å
307	R	79.8	Confident	77.4	Confident	162 Å²	162	78.5 Å²	78.5	61%	0.611	39%	0.386	S	S	*	.	H	α-helix	trans	-73.2	-51.7	171.7	179.7	178.3	177.6	166.2	0.6	110.2	L303 Y304 E305 L309 R310 D311	L303-R307 PolarHBondContact O-N 2.97Å; Y304-R307 WeakPolarHBondContact O-CA 3.43Å; Y304-R307 WeakPolarHBondContact O-CB 3.28Å; Y304-R307 PolarHBondContact O-N 3.47Å; E305-R307 VanDerWaalsContact C-N 3.33Å; E305-R307 PolarHBondContact O-N 3.34Å; R307-L309 VanDerWaalsContact C-N 3.29Å; R307-L309 PolarHBondContact O-N 2.97Å; R307-R310 WeakPolarHBondContact O-CA 3.44Å; R307-R310 WeakPolarHBondContact O-CB 3.46Å; R307-R310 PolarHBondContact O-N 3.3Å; R307-D311 IonicContact NE-OD2 3.74Å; R307-D311 PolarHBondContact O-N 3.09Å
308	E	76.8	Confident	77.2	Confident	68 Å²	68	77.9 Å²	77.9	32%	0.318	38%	0.381	S	S	.	.	H	α-helix	trans	-55.5	-42.4	175.9	-69.1	-76.7	172.2	0	0	111.9	Y304 R310 D311 L312 Y400	Y304-E308 HydrophobicContact CD1-CG 3.82Å; Y304-E308 HydrophobicContact CE1-CG 3.37Å; Y304-E308 WeakPolarHBondContact CE1-OE1 3.46Å; Y304-E308 PolarHBondContact O-N 3.26Å; Y304-E308 PolarHBondContact OH-OE1 2.97Å; E308-R310 PolarHBondContact O-N 3.32Å; E308-D311 PolarHBondContact O-N 3.4Å; E308-L312 VanDerWaalsContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.49Å; E308-Y400 HydrophobicContact CB-CE2 3.74Å; E308-Y400 WeakPolarHBondContact CB-OH 3.47Å
309	L	75.2	Confident	76.9	Confident	15 Å²	15	79 Å²	79	8%	0.079	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-40.1	173.3	-75	176.1	0	0	0	112.9	E305 R307 V313 L395 Y400 I403 R404	E305-L309 WeakPolarHBondContact O-CG 3.28Å; E305-L309 PolarHBondContact O-N 3.46Å; R307-L309 VanDerWaalsContact C-N 3.29Å; R307-L309 PolarHBondContact O-N 2.97Å; L309-V313 WeakPolarHBondContact O-CB 3.33Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.3Å; L309-L395 HydrophobicContact CD1-CD2 3.81Å; L309-Y400 HydrophobicContact CD1-CD2 4.23Å; L309-Y400 HydrophobicContact CD2-CD2 3.87Å; L309-Y400 HydrophobicContact CD2-CE2 3.73Å; L309-Y400 HydrophobicContact CG-CD2 3.68Å; L309-Y400 HydrophobicContact CG-CE2 3.7Å; L309-I403 HydrophobicContact CD1-CG2 4.24Å; L309-I403 HydrophobicContact CD2-CB 4.49Å; L309-I403 HydrophobicContact CD2-CG2 4.09Å; L309-R404 HydrophobicContact CD2-CB 4.5Å
310	R	76.1	Confident	76.7	Confident	144 Å²	144	77.1 Å²	77.1	54%	0.543	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-44.3	177.3	-81.9	-178.8	-79.6	-109.7	4.2	111.5	N306 R307 E308 L312 V313 S314	N306-R310 WeakPolarHBondContact O-CG 3.37Å; N306-R310 PolarHBondContact O-N 2.89Å; N306-R310 PolarHBondContact O-NE 3.43Å; N306-R310 VanDerWaalsContact O-NE 3.08Å; N306-R310 PolarHBondContact O-NH2 3.46Å; R307-R310 WeakPolarHBondContact O-CA 3.44Å; R307-R310 WeakPolarHBondContact O-CB 3.46Å; R307-R310 PolarHBondContact O-N 3.3Å; E308-R310 PolarHBondContact O-N 3.32Å; R310-L312 PolarHBondContact O-N 2.94Å; R310-V313 PolarHBondContact O-N 2.93Å; R310-S314 WeakPolarHBondContact O-CB 3.29Å; R310-S314 PolarHBondContact O-N 3.01Å; R310-S314 PolarHBondContact O-OG 2.91Å; R310-S314 VanDerWaalsContact O-OG 3.12Å
311	D	79.1	Confident	76.5	Confident	72 Å²	72	76.8 Å²	76.8	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-39.4	178.6	-67.6	-24.9	0	0	0	110.8	R307 E308 S314 Q315	R307-D311 IonicContact NE-OD2 3.74Å; R307-D311 PolarHBondContact O-N 3.09Å; E308-D311 PolarHBondContact O-N 3.4Å; D311-S314 PolarHBondContact O-N 3.41Å; D311-Q315 WeakPolarHBondContact O-CG 3.5Å; D311-Q315 PolarHBondContact O-N 3.09Å
312	L	78.4	Confident	76.3	Confident	30 Å²	30	80.3 Å²	80.3	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-45.5	172	179.8	64.5	0	0	0	112.9	E308 R310 S314 Q315 L316 R404	E308-L312 VanDerWaalsContact O-CB 3.27Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.49Å; R310-L312 PolarHBondContact O-N 2.94Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 3.39Å; L312-Q315 PolarHBondContact O-N 3.41Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.3Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.44Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.37Å; L312-R404 HydrophobicContact CD2-CG 3.57Å
313	V	76	Confident	76.2	Confident	75 Å²	75	79.2 Å²	79.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-59.9	-39.7	175.3	164.9	0	0	0	0	110.7	L309 R310 L316 S317 L407	L309-V313 WeakPolarHBondContact O-CB 3.33Å; L309-V313 WeakPolarHBondContact O-CG2 3.32Å; L309-V313 PolarHBondContact O-N 3.3Å; R310-V313 PolarHBondContact O-N 2.93Å; V313-L316 PolarHBondContact O-N 2.9Å; V313-S317 VanDerWaalsContact O-CB 3.22Å; V313-S317 WeakPolarHBondContact O-CB 3.26Å; V313-S317 PolarHBondContact O-N 3.14Å; V313-L407 HydrophobicContact CG2-CD2 3.73Å
314	S	79.9	Confident	76.1	Confident	75 Å²	75	78.4 Å²	78.4	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-39.3	174.5	-68.3	0	0	0	0	112.7	R310 D311 L312 S318	R310-S314 WeakPolarHBondContact O-CB 3.29Å; R310-S314 PolarHBondContact O-N 3.01Å; R310-S314 PolarHBondContact O-OG 2.91Å; R310-S314 VanDerWaalsContact O-OG 3.12Å; D311-S314 PolarHBondContact O-N 3.41Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 3.39Å; S314-S318 VanDerWaalsContact O-CB 3.28Å; S314-S318 WeakPolarHBondContact O-CB 3.38Å; S314-S318 PolarHBondContact O-N 2.87Å
315	Q	76.8	Confident	75.8	Confident	102 Å²	102	74.3 Å²	74.3	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-44	173.2	-71.5	174.7	39.9	0	0	112.5	D311 L312 S318 R319	D311-Q315 WeakPolarHBondContact O-CG 3.5Å; D311-Q315 PolarHBondContact O-N 3.09Å; L312-Q315 PolarHBondContact O-N 3.41Å; Q315-S318 PolarHBondContact O-N 3.36Å; Q315-R319 WeakPolarHBondContact O-CB 3.32Å; Q315-R319 WeakPolarHBondContact O-CG 3.47Å; Q315-R319 PolarHBondContact O-N 3.02Å
316	L	75.4	Confident	75.5	Confident	21 Å²	21	73.6 Å²	73.6	11%	0.11	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-44.6	177	-69.5	166.3	0	0	0	111	L312 V313 R319 I320 L407 V411	L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.3Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.44Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 3.37Å; V313-L316 PolarHBondContact O-N 2.9Å; L316-R319 PolarHBondContact O-N 3.4Å; L316-I320 VanDerWaalsContact O-CG1 3.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.27Å; L316-I320 PolarHBondContact O-N 2.73Å; L316-L407 HydrophobicContact CD1-CD2 4.11Å; L316-L407 HydrophobicContact CD1-CG 4.18Å; L316-V411 HydrophobicContact CD1-CG2 4.36Å; L316-V411 HydrophobicContact CD2-CB 4.3Å; L316-V411 HydrophobicContact CD2-CG1 4.02Å
317	S	76.7	Confident	75.2	Confident	58 Å²	58	73.6 Å²	73.6	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-56.5	-50.6	171.9	175.6	0	0	0	0	111.8	V313 R319 I320 I321	V313-S317 VanDerWaalsContact O-CB 3.22Å; V313-S317 WeakPolarHBondContact O-CB 3.26Å; V313-S317 PolarHBondContact O-N 3.14Å; S317-R319 VanDerWaalsContact C-N 3.3Å; S317-R319 PolarHBondContact O-N 2.98Å; S317-I320 PolarHBondContact O-N 3.44Å; S317-I321 WeakPolarHBondContact O-CG1 3.31Å; S317-I321 PolarHBondContact O-N 2.82Å
318	S	75.7	Confident	75	Confident	49 Å²	49	72 Å²	72	34%	0.343	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-34.8	177	175.8	0	0	0	0	113.5	S314 Q315 R322	S314-S318 VanDerWaalsContact O-CB 3.28Å; S314-S318 WeakPolarHBondContact O-CB 3.38Å; S314-S318 PolarHBondContact O-N 2.87Å; Q315-S318 PolarHBondContact O-N 3.36Å; S318-R322 WeakPolarHBondContact O-CB 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.19Å; S318-R322 PolarHBondContact O-N 3.48Å; S318-R322 PolarHBondContact O-NE 3.43Å; S318-R322 PolarHBondContact OG-NE 2.81Å; S318-R322 PolarHBondContact OG-NH2 3.27Å
319	R	73.3	Confident	74.7	Confident	120 Å²	120	76 Å²	76	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-70	-44.9	173.7	-79.4	171.9	163	146.8	-8.2	111.4	Q315 L316 S317 R322 F323	Q315-R319 WeakPolarHBondContact O-CB 3.32Å; Q315-R319 WeakPolarHBondContact O-CG 3.47Å; Q315-R319 PolarHBondContact O-N 3.02Å; L316-R319 PolarHBondContact O-N 3.4Å; S317-R319 VanDerWaalsContact C-N 3.3Å; S317-R319 PolarHBondContact O-N 2.98Å; R319-R322 PolarHBondContact O-N 3.41Å; R319-F323 WeakPolarHBondContact O-CB 3.33Å; R319-F323 PolarHBondContact O-N 2.89Å
320	I	74.3	Confident	74.1	Confident	81 Å²	81	78.7 Å²	78.7	42%	0.415	38%	0.383	S	S	.	.	H	α-helix	trans	-62.5	-45.3	177.3	-68.8	165	0	0	0	111.1	L316 S317 F323 T324 V411	L316-I320 VanDerWaalsContact O-CG1 3.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.27Å; L316-I320 PolarHBondContact O-N 2.73Å; S317-I320 PolarHBondContact O-N 3.44Å; I320-F323 PolarHBondContact O-N 2.9Å; I320-T324 PolarHBondContact O-N 2.9Å; I320-T324 PolarHBondContact O-OG1 3.33Å; I320-V411 HydrophobicContact CD1-CG1 4.11Å
321	I	75	Confident	73.5	Confident	97 Å²	97	75.1 Å²	75.1	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-47.9	177.5	-67.5	164.7	0	0	0	110.5	S317 F323 T324 D325	S317-I321 WeakPolarHBondContact O-CG1 3.31Å; S317-I321 PolarHBondContact O-N 2.82Å; I321-F323 VanDerWaalsContact C-N 3.29Å; I321-F323 PolarHBondContact O-N 3.05Å; I321-T324 PolarHBondContact O-N 3.03Å; I321-T324 VanDerWaalsContact O-N 3.16Å; I321-D325 WeakPolarHBondContact O-CB 3.28Å; I321-D325 PolarHBondContact O-N 3.16Å
322	R	73.1	Confident	72.8	Confident	150 Å²	150	75 Å²	75	57%	0.566	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-35.4	176.7	-79.9	180	-77.7	172.1	-9.5	113.3	S318 R319 F326	S318-R322 WeakPolarHBondContact O-CB 3.25Å; S318-R322 WeakPolarHBondContact O-CG 3.19Å; S318-R322 PolarHBondContact O-N 3.48Å; S318-R322 PolarHBondContact O-NE 3.43Å; S318-R322 PolarHBondContact OG-NE 2.81Å; S318-R322 PolarHBondContact OG-NH2 3.27Å; R319-R322 PolarHBondContact O-N 3.41Å; R322-F326 WeakPolarHBondContact O-CB 3.29Å; R322-F326 PolarHBondContact O-N 3.28Å
323	F	72.3	Confident	71.8	Confident	26 Å²	26	76.5 Å²	76.5	11%	0.114	39%	0.393	C	S	.	.	H	α-helix	trans	-67.8	-43.3	173.7	-179.6	-105.2	0	0	0	111.7	R319 I320 I321 F326 L327 W419	R319-F323 WeakPolarHBondContact O-CB 3.33Å; R319-F323 PolarHBondContact O-N 2.89Å; I320-F323 PolarHBondContact O-N 2.9Å; I321-F323 VanDerWaalsContact C-N 3.29Å; I321-F323 PolarHBondContact O-N 3.05Å; F323-F326 WeakPolarHBondContact O-CB 3.36Å; F323-F326 PolarHBondContact O-N 3.31Å; F323-L327 HydrophobicContact CD1-CD1 4.06Å; F323-L327 HydrophobicContact CD1-CG 4.41Å; F323-L327 HydrophobicContact CE1-CD1 3.57Å; F323-L327 HydrophobicContact CE1-CG 4.15Å; F323-L327 HydrophobicContact CE2-CD2 4.47Å; F323-L327 HydrophobicContact CZ-CD1 3.97Å; F323-L327 HydrophobicContact CZ-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CG 4.23Å; F323-L327 WeakPolarHBondContact O-CG 3.34Å; F323-L327 PolarHBondContact O-N 2.96Å; F323-W419 HydrophobicContact CE2-CE3 4.1Å; F323-W419 HydrophobicContact CE2-CZ3 4.32Å; F323-W419 HydrophobicContact CZ-CE3 4.09Å
324	T	73.9	Confident	71	Confident	78 Å²	78	77.1 Å²	77.1	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-63.1	-43.5	174.9	-59	0	0	0	0	112.1	I320 I321 F326 L327 Q328	I320-T324 PolarHBondContact O-N 2.9Å; I320-T324 PolarHBondContact O-OG1 3.33Å; I321-T324 PolarHBondContact O-N 3.03Å; I321-T324 VanDerWaalsContact O-N 3.16Å; T324-F326 VanDerWaalsContact C-N 3.34Å; T324-F326 PolarHBondContact O-N 2.88Å; T324-L327 PolarHBondContact O-N 2.92Å; T324-Q328 WeakPolarHBondContact O-CB 3.25Å; T324-Q328 PolarHBondContact O-N 3.34Å
325	D	72.6	Confident	70	Confident	60 Å²	60	78.4 Å²	78.4	32%	0.321	39%	0.391	S	S	.	.	H	α-helix	trans	-55.3	-46.7	172.1	-100.1	40.2	0	0	0	112.1	I321 Q328 R329	I321-D325 WeakPolarHBondContact O-CB 3.28Å; I321-D325 PolarHBondContact O-N 3.16Å; D325-Q328 PolarHBondContact O-N 2.7Å; D325-R329 VanDerWaalsContact O-CG 3.28Å; D325-R329 WeakPolarHBondContact O-CG 3.37Å; D325-R329 PolarHBondContact O-N 3.26Å; D325-R329 IonicContact OD2-CZ 2.88Å; D325-R329 IonicContact OD2-NH2 3.09Å; D325-R329 PolarHBondContact OD2-NH2 3.22Å
326	F	70.9	Confident	69	Low	26 Å²	26	80.6 Å²	80.6	11%	0.114	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-48.6	176.5	170.1	-92	0	0	0	111.1	R322 F323 T324 Q328 R329 H330 F352	R322-F326 WeakPolarHBondContact O-CB 3.29Å; R322-F326 PolarHBondContact O-N 3.28Å; F323-F326 WeakPolarHBondContact O-CB 3.36Å; F323-F326 PolarHBondContact O-N 3.31Å; T324-F326 VanDerWaalsContact C-N 3.34Å; T324-F326 PolarHBondContact O-N 2.88Å; F326-Q328 VanDerWaalsContact C-N 3.34Å; F326-Q328 PolarHBondContact O-N 2.98Å; F326-R329 PolarHBondContact O-N 3.48Å; F326-H330 AromaticContact CD2-CD2 3.57Å; F326-H330 AromaticContact CD2-NE2 3.68Å; F326-H330 AromaticContact CE1-CD2 3.99Å; F326-H330 AromaticContact CE2-CD2 3.36Å; F326-H330 WeakPolarHBondContact CE2-CD2 3.35Å; F326-H330 AromaticContact CE2-NE2 3.15Å; F326-H330 WeakPolarHBondContact CE2-NE2 3.35Å; F326-H330 AromaticContact CG-CD2 3.99Å; F326-H330 AromaticContact CZ-CD2 3.58Å; F326-H330 AromaticContact CZ-NE2 3.62Å; F326-H330 PolarHBondContact O-CD2 2.91Å; F326-H330 PolarHBondContact O-N 3.47Å; F326-F352 HydrophobicContact CB-CD1 4.3Å; F326-F352 HydrophobicContact CB-CE1 4.16Å; F326-F352 HydrophobicContact CD1-CD1 4.35Å; F326-F352 AromaticContact CD2-CD1 3.52Å; F326-F352 HydrophobicContact CD2-CD1 3.52Å; F326-F352 HydrophobicContact CD2-CD2 4.03Å; F326-F352 AromaticContact CD2-CE1 3.33Å; F326-F352 HydrophobicContact CD2-CE1 3.33Å; F326-F352 AromaticContact CD2-CE2 3.85Å; F326-F352 HydrophobicContact CD2-CE2 3.85Å; F326-F352 AromaticContact CD2-CG 3.87Å; F326-F352 HydrophobicContact CD2-CG 3.87Å; F326-F352 AromaticContact CD2-CZ 3.51Å; F326-F352 HydrophobicContact CD2-CZ 3.51Å; F326-F352 HydrophobicContact CE1-CG 4.42Å; F326-F352 HydrophobicContact CE2-CB 4.49Å; F326-F352 AromaticContact CE2-CD1 3.81Å; F326-F352 HydrophobicContact CE2-CD1 3.81Å; F326-F352 AromaticContact CE2-CD2 3.49Å; F326-F352 HydrophobicContact CE2-CD2 3.49Å; F326-F352 VanDerWaalsContact CE2-CD2 3.49Å; F326-F352 AromaticContact CE2-CE1 3.87Å; F326-F352 HydrophobicContact CE2-CE1 3.87Å; F326-F352 AromaticContact CE2-CE2 3.55Å; F326-F352 HydrophobicContact CE2-CE2 3.55Å; F326-F352 AromaticContact CE2-CG 3.63Å; F326-F352 HydrophobicContact CE2-CG 3.63Å; F326-F352 AromaticContact CE2-CZ 3.74Å; F326-F352 HydrophobicContact CE2-CZ 3.74Å; F326-F352 AromaticContact CG-CD1 3.82Å; F326-F352 HydrophobicContact CG-CD1 3.82Å; F326-F352 AromaticContact CG-CE1 3.89Å; F326-F352 HydrophobicContact CG-CE1 3.89Å; F326-F352 HydrophobicContact CG-CG 4.36Å; F326-F352 HydrophobicContact CG-CZ 4.49Å; F326-F352 HydrophobicContact CZ-CB 4.33Å; F326-F352 HydrophobicContact CZ-CD1 4.35Å; F326-F352 HydrophobicContact CZ-CD2 4.01Å; F326-F352 HydrophobicContact CZ-CE2 4.49Å; F326-F352 AromaticContact CZ-CG 3.94Å; F326-F352 HydrophobicContact CZ-CG 3.94Å
327	L	68.9	Low	67.7	Low	37 Å²	37	83.7 Å²	83.7	19%	0.194	42%	0.418	C	S	.	.	H	α-helix	trans	-58.7	-44.2	175.5	-68.3	-174.3	0	0	0	111.9	F323 T324 R329 H330 C331 L422	F323-L327 HydrophobicContact CD1-CD1 4.06Å; F323-L327 HydrophobicContact CD1-CG 4.41Å; F323-L327 HydrophobicContact CE1-CD1 3.57Å; F323-L327 HydrophobicContact CE1-CG 4.15Å; F323-L327 HydrophobicContact CE2-CD2 4.47Å; F323-L327 HydrophobicContact CZ-CD1 3.97Å; F323-L327 HydrophobicContact CZ-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CG 4.23Å; F323-L327 WeakPolarHBondContact O-CG 3.34Å; F323-L327 PolarHBondContact O-N 2.96Å; T324-L327 PolarHBondContact O-N 2.92Å; L327-R329 PolarHBondContact O-N 2.84Å; L327-H330 PolarHBondContact O-N 2.9Å; L327-C331 VanDerWaalsContact O-CB 3.22Å; L327-C331 WeakPolarHBondContact O-CB 3.4Å; L327-C331 PolarHBondContact O-N 3.17Å; L327-C331 PolarHBondContact O-SG 3.16Å; L327-L422 HydrophobicContact CD1-CD1 4.2Å; L327-L422 HydrophobicContact CD2-CD1 3.84Å; L327-L422 HydrophobicContact CD2-CD2 3.45Å; L327-L422 VanDerWaalsContact CD2-CD2 3.45Å; L327-L422 HydrophobicContact CD2-CG 4.28Å
328	Q	73.9	Confident	66.5	Low	128 Å²	128	85.7 Å²	85.7	60%	0.598	42%	0.424	S	S	*	.	H	α-helix	trans	-60.7	-47	178.9	-174.4	175.6	-1.2	0	0	111.3	T324 D325 F326 C331 T332	T324-Q328 WeakPolarHBondContact O-CB 3.25Å; T324-Q328 PolarHBondContact O-N 3.34Å; D325-Q328 PolarHBondContact O-N 2.7Å; F326-Q328 VanDerWaalsContact C-N 3.34Å; F326-Q328 PolarHBondContact O-N 2.98Å; Q328-C331 PolarHBondContact O-N 2.88Å; Q328-T332 PolarHBondContact O-N 3.33Å; Q328-T332 PolarHBondContact O-OG1 3.49Å
329	R	71.3	Confident	65.2	Low	151 Å²	151	90.1 Å²	90.1	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-59.9	-53.7	177	-68.3	169.8	-149.4	173.4	6.6	111.3	D325 F326 L327 C331 T332 T333	D325-R329 VanDerWaalsContact O-CG 3.28Å; D325-R329 WeakPolarHBondContact O-CG 3.37Å; D325-R329 PolarHBondContact O-N 3.26Å; D325-R329 IonicContact OD2-CZ 2.88Å; D325-R329 IonicContact OD2-NH2 3.09Å; D325-R329 PolarHBondContact OD2-NH2 3.22Å; F326-R329 PolarHBondContact O-N 3.48Å; L327-R329 PolarHBondContact O-N 2.84Å; R329-C331 VanDerWaalsContact C-N 3.34Å; R329-C331 PolarHBondContact O-N 2.86Å; R329-T332 WeakPolarHBondContact CA-OG1 3.4Å; R329-T332 PolarHBondContact O-N 3.22Å; R329-T332 VanDerWaalsContact O-N 3.07Å; R329-T332 PolarHBondContact O-OG1 3.21Å; R329-T333 PolarHBondContact O-N 3.15Å; R329-T333 PolarHBondContact O-OG1 3.36Å; R329-T333 VanDerWaalsContact O-OG1 3.08Å
330	H	62.9	Low	63.8	Low	72 Å²	72	91.5 Å²	91.5	33%	0.333	46%	0.46	S	S	.	.	H	α-helix	trans	-62.4	-39.1	-179.9	-79.8	-84.4	0	0	0	112.4	F326 L327 T332 T333 W334	F326-H330 AromaticContact CD2-CD2 3.57Å; F326-H330 AromaticContact CD2-NE2 3.68Å; F326-H330 AromaticContact CE1-CD2 3.99Å; F326-H330 AromaticContact CE2-CD2 3.36Å; F326-H330 WeakPolarHBondContact CE2-CD2 3.35Å; F326-H330 AromaticContact CE2-NE2 3.15Å; F326-H330 WeakPolarHBondContact CE2-NE2 3.35Å; F326-H330 AromaticContact CG-CD2 3.99Å; F326-H330 AromaticContact CZ-CD2 3.58Å; F326-H330 AromaticContact CZ-NE2 3.62Å; F326-H330 PolarHBondContact O-CD2 2.91Å; F326-H330 PolarHBondContact O-N 3.47Å; L327-H330 PolarHBondContact O-N 2.9Å; H330-T332 PolarHBondContact O-N 3.18Å; H330-T333 PolarHBondContact O-N 3.39Å; H330-W334 WeakPolarHBondContact O-CB 3.49Å; H330-W334 PolarHBondContact O-N 3.22Å
331	C	63.3	Low	62.4	Low	70 Å²	70	90.8 Å²	90.8	47%	0.473	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-39.4	172.6	-76.9	0	0	0	0	112.5	L327 Q328 R329 V335	L327-C331 VanDerWaalsContact O-CB 3.22Å; L327-C331 WeakPolarHBondContact O-CB 3.4Å; L327-C331 PolarHBondContact O-N 3.17Å; L327-C331 PolarHBondContact O-SG 3.16Å; Q328-C331 PolarHBondContact O-N 2.88Å; R329-C331 VanDerWaalsContact C-N 3.34Å; R329-C331 PolarHBondContact O-N 2.86Å; C331-V335 WeakPolarHBondContact O-CB 3.48Å; C331-V335 VanDerWaalsContact O-CG2 3.26Å; C331-V335 WeakPolarHBondContact O-CG2 3.33Å; C331-V335 PolarHBondContact O-N 3.18Å; C331-V335 VanDerWaalsContact O-N 3.11Å
332	T	64.2	Low	60.9	Low	70 Å²	70	92.4 Å²	92.4	43%	0.429	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-43.1	174.2	50.3	0	0	0	0	112.5	Q328 R329 H330 W334 V335 Q336	Q328-T332 PolarHBondContact O-N 3.33Å; Q328-T332 PolarHBondContact O-OG1 3.49Å; R329-T332 WeakPolarHBondContact CA-OG1 3.4Å; R329-T332 PolarHBondContact O-N 3.22Å; R329-T332 VanDerWaalsContact O-N 3.07Å; R329-T332 PolarHBondContact O-OG1 3.21Å; H330-T332 PolarHBondContact O-N 3.18Å; T332-W334 PolarHBondContact O-N 3.18Å; T332-V335 PolarHBondContact O-N 3.41Å; T332-Q336 WeakPolarHBondContact O-CG 3.36Å; T332-Q336 PolarHBondContact O-N 3.09Å
333	T	58.3	Low	59.4	Low	61 Å²	61	93.6 Å²	93.6	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-63.1	-42.6	177.3	-47.3	0	0	0	0	111.9	R329 H330 V335 Q336 N337	R329-T333 PolarHBondContact O-N 3.15Å; R329-T333 PolarHBondContact O-OG1 3.36Å; R329-T333 VanDerWaalsContact O-OG1 3.08Å; H330-T333 PolarHBondContact O-N 3.39Å; T333-V335 VanDerWaalsContact C-N 3.32Å; T333-V335 PolarHBondContact O-N 3.49Å; T333-Q336 PolarHBondContact O-N 2.97Å; T333-N337 PolarHBondContact O-N 2.86Å
334	W	58.1	Low	57.9	Low	87 Å²	87	95.6 Å²	95.6	33%	0.33	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-32.5	176.4	-87.2	61	0	0	0	113.3	H330 T332 A426 Y429 M430	H330-W334 WeakPolarHBondContact O-CB 3.49Å; H330-W334 PolarHBondContact O-N 3.22Å; T332-W334 PolarHBondContact O-N 3.18Å; W334-A426 HydrophobicContact CH2-CB 4.33Å; W334-Y429 HydrophobicContact CE3-CD1 4.24Å; W334-Y429 HydrophobicContact CZ3-CD1 4.07Å; W334-M430 HydrophobicContact CH2-CE 3.46Å; W334-M430 VanDerWaalsContact CH2-CE 3.46Å; W334-M430 HydrophobicContact CH2-CG 4.13Å; W334-M430 HydrophobicContact CZ2-CE 4.23Å; W334-M430 HydrophobicContact CZ3-CE 3.69Å; W334-M430 HydrophobicContact CZ3-CG 4.29Å
335	V	58.3	Low	56.3	Low	103 Å²	103	99.8 Å²	99.8	62%	0.624	52%	0.517	S	S	*	.	H	α-helix	trans	-80.5	-26.9	178.9	168.4	0	0	0	0	112.3	C331 T332 T333 N338	C331-V335 WeakPolarHBondContact O-CB 3.48Å; C331-V335 VanDerWaalsContact O-CG2 3.26Å; C331-V335 WeakPolarHBondContact O-CG2 3.33Å; C331-V335 PolarHBondContact O-N 3.18Å; C331-V335 VanDerWaalsContact O-N 3.11Å; T332-V335 PolarHBondContact O-N 3.41Å; T333-V335 VanDerWaalsContact C-N 3.32Å; T333-V335 PolarHBondContact O-N 3.49Å; V335-N338 PolarHBondContact O-ND2 3.44Å
336	Q	56.2	Low	54.9	Low	147 Å²	147	104.9 Å²	104.9	69%	0.687	54%	0.538	S	S	*	.	H	α-helix	trans	-87.7	-41.8	-179.7	-71.1	177.7	-12.3	0	0	113	T332 T333 N338	T332-Q336 WeakPolarHBondContact O-CG 3.36Å; T332-Q336 PolarHBondContact O-N 3.09Å; T333-Q336 PolarHBondContact O-N 2.97Å; Q336-N338 PolarHBondContact O-N 2.81Å
337	N	49.2	Very low	53.5	Low	86 Å²	86	110 Å²	110	46%	0.46	56%	0.561	S	S	.	*			trans	-99	66.4	-173.6	-66.7	-19.3	0	0	0	112.6	T333 D339 V341	T333-N337 PolarHBondContact O-N 2.86Å; N337-D339 VanDerWaalsContact C-N 3.29Å; N337-D339 PolarHBondContact O-N 2.63Å; N337-V341 HydrophobicContact CB-CG2 3.52Å
338	N	50.7	Low	52.3	Low	101 Å²	101	112.6 Å²	112.6	54%	0.54	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-27.5	-173.7	-76.4	-72.1	0	0	0	115.3	V335 Q336	V335-N338 PolarHBondContact O-ND2 3.44Å; Q336-N338 PolarHBondContact O-N 2.81Å
339	D	48.1	Very low	51.1	Low	141 Å²	141	111 Å²	111	75%	0.754	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-11.4	-164.9	-62.1	-76.5	0	0	0	116.4	N337	N337-D339 VanDerWaalsContact C-N 3.29Å; N337-D339 PolarHBondContact O-N 2.63Å
340	N	44.1	Very low	50	Low	149 Å²	149	106.2 Å²	106.2	80%	0.797	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	-5.6	-167.7	-83.2	-29.1	0	0	0	116.9	I342	N340-I342 VanDerWaalsContact C-N 3.28Å; N340-I342 PolarHBondContact O-N 3.41Å
341	V	44.8	Very low	49.1	Very low	66 Å²	66	107.3 Å²	107.3	40%	0.4	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	60.7	-174.2	-163.5	0	0	0	0	112.1	N337	N337-V341 HydrophobicContact CB-CG2 3.52Å
342	I	43.8	Very low	48.2	Very low	132 Å²	132	108.4 Å²	108.4	68%	0.677	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-19	-179.4	-63.5	-179.2	0	0	0	112.8	N340	N340-I342 VanDerWaalsContact C-N 3.28Å; N340-I342 PolarHBondContact O-N 3.41Å
343	H	42.3	Very low	47.4	Very low	175 Å²	175	107.3 Å²	107.3	81%	0.81	55%	0.551	S	S	*	*	S	Bend	trans	-129.5	2.8	-170.7	-71.3	-58.3	0	0	0	117.2	N345	H343-N345 PolarHBondContact O-N 2.9Å
344	S	39.9	Very low	46.9	Very low	67 Å²	67	107.5 Å²	107.5	47%	0.469	55%	0.549	S	S	.	.			trans	-78.1	89	171.2	55.7	0	0	0	0	110.6	E346	S344-E346 PolarHBondContact O-N 2.94Å
345	N	40.2	Very low	46.6	Very low	167 Å²	167	107.4 Å²	107.4	89%	0.893	56%	0.555	S	S	*	*			trans	-77.7	44.1	-179.5	-162.3	78	0	0	0	112.5	H343	H343-N345 PolarHBondContact O-N 2.9Å
346	E	43.1	Very low	45.8	Very low	166 Å²	166	107.2 Å²	107.2	78%	0.776	55%	0.55	S	S	*	*			trans	-107.5	36.2	-167.9	-159.2	171.5	-138.7	0	0	111.3	S344 D348	S344-E346 PolarHBondContact O-N 2.94Å; E346-D348 PolarHBondContact O-N 3.31Å
347	F	42.7	Very low	45.4	Very low	133 Å²	133	107.7 Å²	107.7	58%	0.583	55%	0.553	S	S	*	*			trans	-89.8	81.2	166.8	-80.2	-86.2	0	0	0	108.8	D349	F347-D349 VanDerWaalsContact C-N 3.33Å; F347-D349 PolarHBondContact O-N 3.38Å
348	D	42.8	Very low	44.9	Very low	93 Å²	93	110.1 Å²	110.1	50%	0.497	56%	0.561	S	S	.	*			trans	-68.9	92	166.2	-89	-22.2	0	0	0	109.4	E346 E350 F351	E346-D348 PolarHBondContact O-N 3.31Å; D348-E350 PolarHBondContact O-N 3.5Å; D348-E350 VanDerWaalsContact O-N 3.13Å; D348-F351 HydrophobicContact CB-CD2 4.31Å; D348-F351 PolarHBondContact O-N 3.48Å
349	D	49.8	Very low	44.6	Very low	95 Å²	95	112.6 Å²	112.6	51%	0.508	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	-176.8	-89.3	-41.5	0	0	0	113.4	F347	F347-D349 VanDerWaalsContact C-N 3.33Å; F347-D349 PolarHBondContact O-N 3.38Å
350	E	47.5	Very low	44.3	Very low	49 Å²	49	108.8 Å²	108.8	23%	0.229	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-95.8	16.2	178.7	-139.2	-168.4	78.2	0	0	115.7	D348 S539 S540 I541	D348-E350 PolarHBondContact O-N 3.5Å; D348-E350 VanDerWaalsContact O-N 3.13Å; E350-S539 PolarHBondContact O-OG 3.31Å; E350-S539 WeakPolarHBondContact OE1-CB 3.35Å; E350-S540 VanDerWaalsContact CD-OG 3.25Å; E350-S540 WeakPolarHBondContact OE1-CB 3.3Å; E350-S540 PolarHBondContact OE1-OG 2.92Å; E350-S540 WeakPolarHBondContact OE2-CB 3.29Å; E350-S540 PolarHBondContact OE2-OG 3.49Å; E350-I541 HydrophobicContact CB-CB 3.87Å; E350-I541 HydrophobicContact CB-CG2 3.74Å; E350-I541 HydrophobicContact CG-CB 4.07Å; E350-I541 HydrophobicContact CG-CD1 4.09Å; E350-I541 HydrophobicContact CG-CG1 4.42Å; E350-I541 HydrophobicContact CG-CG2 4.27Å; E350-I541 WeakPolarHBondContact OE2-CB 3.17Å; E350-I541 WeakPolarHBondContact OE2-CD1 3.48Å; E350-I541 WeakPolarHBondContact OE2-CG1 3.42Å
351	F	42.9	Very low	44	Very low	95 Å²	95	104.4 Å²	104.4	42%	0.417	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-11.6	166.2	-88.7	-71.6	0	0	0	114.1	D348 E538 S539	D348-F351 HydrophobicContact CB-CD2 4.31Å; D348-F351 PolarHBondContact O-N 3.48Å; F351-E538 HydrophobicContact CE2-CB 3.95Å; F351-E538 HydrophobicContact CE2-CG 3.85Å; F351-E538 HydrophobicContact CZ-CB 3.78Å; F351-E538 HydrophobicContact CZ-CG 3.51Å; F351-S539 WeakPolarHBondContact CE2-O 3.49Å; F351-S539 VanDerWaalsContact CE2-OG 3.26Å; F351-S539 WeakPolarHBondContact CE2-OG 3.47Å; F351-S539 WeakPolarHBondContact CZ-OG 3.27Å
352	F	45.8	Very low	43.6	Very low	93 Å²	93	109.8 Å²	109.8	41%	0.408	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135.5	5	-171.5	-58.5	-74.8	0	0	0	114.3	F326	F326-F352 HydrophobicContact CB-CD1 4.3Å; F326-F352 HydrophobicContact CB-CE1 4.16Å; F326-F352 HydrophobicContact CD1-CD1 4.35Å; F326-F352 AromaticContact CD2-CD1 3.52Å; F326-F352 HydrophobicContact CD2-CD1 3.52Å; F326-F352 HydrophobicContact CD2-CD2 4.03Å; F326-F352 AromaticContact CD2-CE1 3.33Å; F326-F352 HydrophobicContact CD2-CE1 3.33Å; F326-F352 AromaticContact CD2-CE2 3.85Å; F326-F352 HydrophobicContact CD2-CE2 3.85Å; F326-F352 AromaticContact CD2-CG 3.87Å; F326-F352 HydrophobicContact CD2-CG 3.87Å; F326-F352 AromaticContact CD2-CZ 3.51Å; F326-F352 HydrophobicContact CD2-CZ 3.51Å; F326-F352 HydrophobicContact CE1-CG 4.42Å; F326-F352 HydrophobicContact CE2-CB 4.49Å; F326-F352 AromaticContact CE2-CD1 3.81Å; F326-F352 HydrophobicContact CE2-CD1 3.81Å; F326-F352 AromaticContact CE2-CD2 3.49Å; F326-F352 HydrophobicContact CE2-CD2 3.49Å; F326-F352 VanDerWaalsContact CE2-CD2 3.49Å; F326-F352 AromaticContact CE2-CE1 3.87Å; F326-F352 HydrophobicContact CE2-CE1 3.87Å; F326-F352 AromaticContact CE2-CE2 3.55Å; F326-F352 HydrophobicContact CE2-CE2 3.55Å; F326-F352 AromaticContact CE2-CG 3.63Å; F326-F352 HydrophobicContact CE2-CG 3.63Å; F326-F352 AromaticContact CE2-CZ 3.74Å; F326-F352 HydrophobicContact CE2-CZ 3.74Å; F326-F352 AromaticContact CG-CD1 3.82Å; F326-F352 HydrophobicContact CG-CD1 3.82Å; F326-F352 AromaticContact CG-CE1 3.89Å; F326-F352 HydrophobicContact CG-CE1 3.89Å; F326-F352 HydrophobicContact CG-CG 4.36Å; F326-F352 HydrophobicContact CG-CZ 4.49Å; F326-F352 HydrophobicContact CZ-CB 4.33Å; F326-F352 HydrophobicContact CZ-CD1 4.35Å; F326-F352 HydrophobicContact CZ-CD2 4.01Å; F326-F352 HydrophobicContact CZ-CE2 4.49Å; F326-F352 AromaticContact CZ-CG 3.94Å; F326-F352 HydrophobicContact CZ-CG 3.94Å
353	S	46.1	Very low	43.6	Very low	48 Å²	48	112.1 Å²	112.1	34%	0.336	58%	0.579	S	S	.	*			trans	-69.4	143.9	163.2	-164.5	0	0	0	0	110.5	D355	S353-D355 PolarHBondContact OG-N 2.93Å
354	L	49.6	Very low	43.5	Very low	65 Å²	65	114 Å²	114	34%	0.34	58%	0.581	S	S	.	*	S	Bend	trans	-106.5	21.8	169.4	-84.9	168.4	0	0	0	111.4
355	D	49.9	Very low	43.5	Very low	84 Å²	84	120.7 Å²	120.7	45%	0.449	60%	0.601	S	S	.	*			trans	-112.9	21.9	-177.6	-86.1	-4.3	0	0	0	112.4	S353 E357 R416	S353-D355 PolarHBondContact OG-N 2.93Å; D355-E357 VanDerWaalsContact C-N 3.28Å; D355-E357 PolarHBondContact O-N 2.95Å; D355-R416 VanDerWaalsContact CG-NH1 3.28Å; D355-R416 IonicContact OD1-NH1 3.86Å; D355-R416 PolarHBondContact OD1-NH1 3.12Å; D355-R416 VanDerWaalsContact OD1-NH1 3.07Å; D355-R416 IonicContact OD2-CZ 2.9Å; D355-R416 IonicContact OD2-NH1 2.78Å; D355-R416 PolarHBondContact OD2-NH1 3.3Å; D355-R416 IonicContact OD2-NH2 3.48Å; D355-R416 PolarHBondContact OD2-NH2 3.11Å
356	D	43	Very low	43.5	Very low	99 Å²	99	124 Å²	124	53%	0.529	60%	0.601	S	S	.	*			trans	-78.9	73.4	174.6	-57.1	-19.9	0	0	0	111.3
357	E	47.3	Very low	43.3	Very low	157 Å²	157	125.7 Å²	125.7	73%	0.734	60%	0.601	S	S	*	*	S	Bend	trans	-160.1	138.8	149.4	-85.2	-52.2	165.9	0	0	108.1	D355 D359	D355-E357 VanDerWaalsContact C-N 3.28Å; D355-E357 PolarHBondContact O-N 2.95Å; E357-D359 PolarHBondContact O-N 3.38Å; E357-D359 VanDerWaalsContact O-N 3.17Å
358	E	39.1	Very low	43	Very low	137 Å²	137	126.6 Å²	126.6	64%	0.64	61%	0.607	S	S	*	*			trans	-76.5	99.2	-179.3	-62.9	-176.7	135.8	0	0	111.4
359	D	44.8	Very low	42.4	Very low	154 Å²	154	128.5 Å²	128.5	82%	0.824	63%	0.627	S	S	*	*			trans	-113.8	95.2	174.5	-157.9	20.6	0	0	0	110.2	E357 G361	E357-D359 PolarHBondContact O-N 3.38Å; E357-D359 VanDerWaalsContact O-N 3.17Å; D359-G361 PolarHBondContact O-N 3.05Å
360	D	41	Very low	41.6	Very low	60 Å²	60	128.7 Å²	128.7	32%	0.321	64%	0.636	S	S	.	*			trans	-62.2	116.5	175.8	-100.2	-50.1	0	0	0	110.4	S131 K135	S131-D360 PolarHBondContact OG-OD2 3.41Å; K135-D360 IonicContact NZ-OD1 2.68Å; K135-D360 PolarHBondContact NZ-OD1 3.05Å; K135-D360 IonicContact NZ-OD2 2.63Å; K135-D360 PolarHBondContact NZ-OD2 2.79Å
361	G	37.9	Very low	41	Very low	58 Å²	58	133.6 Å²	133.6	60%	0.598	66%	0.664	S	S	*	*			trans	-177.6	17.6	-175.4	0	0	0	0	0	120.7	D359 E363	D359-G361 PolarHBondContact O-N 3.05Å; G361-E363 PolarHBondContact O-N 3.37Å
362	D	36.3	Very low	41	Very low	179 Å²	179	137.7 Å²	137.7	96%	0.957	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	36.5	-173.5	-97.9	-6.5	0	0	0	115.9
363	E	44.3	Very low	40.4	Very low	180 Å²	180	140 Å²	140	84%	0.841	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	-15.8	-178.1	-152.4	173.1	-148.2	0	0	115.4	G361	G361-E363 PolarHBondContact O-N 3.37Å
364	Y	40.2	Very low	39.7	Very low	216 Å²	216	149.1 Å²	149.1	85%	0.847	73%	0.73	S	S	*	*	S	Bend	trans	-85.4	-9.6	-172.2	-114	-84.7	0	0	0	116.7	R366	Y364-R366 VanDerWaalsContact C-N 3.28Å; Y364-R366 PolarHBondContact O-N 2.84Å
365	F	38.7	Very low	38.8	Very low	206 Å²	206	150.7 Å²	150.7	90%	0.904	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	25.4	-175.9	-77.3	-76.1	0	0	0	115.2
366	R	40.7	Very low	37.7	Very low	236 Å²	236	152.2 Å²	152.2	89%	0.891	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	29.7	-173.2	-147.1	-176.5	-177.7	171	1.7	116.3	Y364	Y364-R366 VanDerWaalsContact C-N 3.28Å; Y364-R366 PolarHBondContact O-N 2.84Å
367	R	39.8	Very low	37.1	Very low	203 Å²	203	157.5 Å²	157.5	77%	0.766	78%	0.777	S	S	*	*			trans	-129.5	145.8	171.1	-75.4	-165.5	-166.8	-164.3	5.2	111.5
368	E	34.9	Very low	36.2	Very low	152 Å²	152	153.8 Å²	153.8	71%	0.71	77%	0.769	S	S	*	*			trans	41.3	98.5	169.2	-62.2	110.6	-123.7	0	0	116.1
369	S	30.5	Very low	35.7	Very low	132 Å²	132	155.8 Å²	155.8	92%	0.923	78%	0.78	S	S	*	*			cis	57.4	35.4	10.5	-166	0	0	0	0	115.4
370	S	34.3	Very low	35.1	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	77%	0.768	S	S	*	*			trans	-143.4	154.6	161.3	-174.9	0	0	0	0	108.2
371	D	34.2	Very low	34.8	Very low	152 Å²	152	159.5 Å²	159.5	81%	0.813	80%	0.796	S	S	*	*			trans	-62.6	154	172	-58.8	-75.4	0	0	0	112
372	E	41.7	Very low	34.5	Very low	181 Å²	181	164.9 Å²	164.9	85%	0.846	81%	0.806	S	S	*	*			trans	179.7	98.6	139.7	-86.3	-103.4	-178.8	0	0	109	Y374	E372-Y374 PolarHBondContact O-N 3Å
373	D	34.1	Very low	34.2	Very low	143 Å²	143	164.3 Å²	164.3	77%	0.765	80%	0.803	S	S	*	*			trans	32.8	76.6	156.1	-70.1	6.3	0	0	0	120.6	S375	D373-S375 PolarHBondContact O-N 2.68Å
374	Y	31.4	Very low	33.6	Very low	238 Å²	238	159.6 Å²	159.6	93%	0.933	80%	0.802	S	S	*	*			trans	-69.3	77.9	145.9	-99.5	-89.4	0	0	0	110	E372 T376	E372-Y374 PolarHBondContact O-N 3Å; Y374-T376 PolarHBondContact O-N 2.91Å
375	S	31.1	Very low	33.3	Very low	98 Å²	98	157.7 Å²	157.7	69%	0.685	79%	0.794	S	S	*	*			trans	-59.9	125.9	-171.5	-161.6	0	0	0	0	112.8	D373 F377	D373-S375 PolarHBondContact O-N 2.68Å; S375-F377 PolarHBondContact O-N 2.85Å
376	T	27.3	Very low	33.1	Very low	116 Å²	116	150.9 Å²	150.9	71%	0.712	78%	0.782	S	S	*	*			trans	-61.6	100.8	-175.9	-58.6	0	0	0	0	112.2	Y374 S378	Y374-T376 PolarHBondContact O-N 2.91Å; T376-S378 VanDerWaalsContact C-N 3.27Å; T376-S378 PolarHBondContact O-N 3.22Å
377	F	28.8	Very low	33	Very low	210 Å²	210	149.5 Å²	149.5	92%	0.921	78%	0.782	S	S	*	*			trans	-73.1	85.5	163.4	-106.9	-76.5	0	0	0	110.2	S375 M379	S375-F377 PolarHBondContact O-N 2.85Å; F377-M379 PolarHBondContact O-N 3.31Å
378	S	29.8	Very low	32.8	Very low	80 Å²	80	144.9 Å²	144.9	56%	0.559	78%	0.781	S	S	*	*			trans	-49.4	131.2	-174.8	-63.3	0	0	0	0	113.9	T376 S380	T376-S378 VanDerWaalsContact C-N 3.27Å; T376-S378 PolarHBondContact O-N 3.22Å; S378-S380 PolarHBondContact O-N 2.64Å
379	M	28.5	Very low	32.9	Very low	179 Å²	179	142.2 Å²	142.2	88%	0.882	79%	0.785	S	S	*	*			trans	-73.1	65.3	170.5	-80.1	-72.7	-164.4	0	0	111.6	F377 K381	F377-M379 PolarHBondContact O-N 3.31Å; M379-K381 PolarHBondContact O-N 3.22Å
380	S	32.7	Very low	33.3	Very low	81 Å²	81	140.3 Å²	140.3	57%	0.566	76%	0.764	S	S	*	*			trans	-68.7	110.3	164.5	49.3	0	0	0	0	109.7	S378 E382 R385	S378-S380 PolarHBondContact O-N 2.64Å; S380-E382 PolarHBondContact O-N 2.81Å; S380-R385 PolarHBondContact O-NH2 3.31Å; S380-R385 PolarHBondContact OG-NH2 2.98Å
381	K	32.9	Very low	33.8	Very low	210 Å²	210	140.6 Å²	140.6	91%	0.913	76%	0.761	S	S	*	*			trans	-68.9	106.3	170.9	-73.8	179.9	176.2	178.7	0	109.8	M379	M379-K381 PolarHBondContact O-N 3.22Å
382	E	32.4	Very low	34	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	75%	0.748	S	S	*	*			trans	-148.6	153.3	148.1	-149.9	158	-166.3	0	0	110.5	S380	S380-E382 PolarHBondContact O-N 2.81Å
383	N	30.6	Very low	34	Very low	168 Å²	168	134.4 Å²	134.4	90%	0.898	73%	0.734	S	S	*	*	S	Bend	trans	-79.4	149.8	-160.9	-62.4	-42.8	0	0	0	112.6
384	G	31.5	Very low	34.4	Very low	80 Å²	80	132.3 Å²	132.3	83%	0.825	72%	0.723	S	S	*	*			trans	98.9	20.5	169.3	0	0	0	0	0	116.9
385	R	33.9	Very low	35.2	Very low	176 Å²	176	123.3 Å²	123.3	66%	0.664	69%	0.69	S	S	*	*			trans	-66.4	137.8	168.1	-61.8	-174.1	-174.1	-163.4	2.4	110.3	S380	S380-R385 PolarHBondContact O-NH2 3.31Å; S380-R385 PolarHBondContact OG-NH2 2.98Å
386	G	33.2	Very low	35.8	Very low	64 Å²	64	126.7 Å²	126.7	66%	0.66	69%	0.693	S	S	*	*			cis	149.1	84.2	-5.8	0	0	0	0	0	112.9
387	K	38.7	Very low	37.2	Very low	206 Å²	206	129.6 Å²	129.6	90%	0.896	70%	0.698	S	S	*	*			trans	56.8	98	171.1	-58.3	176.9	-176.6	177	0	115.1	A389	K387-A389 PolarHBondContact O-N 3.34Å
388	S	36.2	Very low	38.4	Very low	107 Å²	107	123.1 Å²	123.1	75%	0.748	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55.4	118.2	156.4	39.3	0	0	0	0	109.7	L390	S388-L390 PolarHBondContact O-N 2.92Å
389	A	37	Very low	40.2	Very low	95 Å²	95	123.1 Å²	123.1	79%	0.785	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-63.9	119.9	169.5	0	0	0	0	0	108.2	K387 V391	K387-A389 PolarHBondContact O-N 3.34Å; A389-V391 PolarHBondContact O-N 2.65Å
390	L	39.9	Very low	41.6	Very low	92 Å²	92	117 Å²	117	48%	0.482	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-59.6	120.3	-176.6	-99.5	62.8	0	0	0	110.2	S388 N392 N393	S388-L390 PolarHBondContact O-N 2.92Å; L390-N392 HydrophobicContact CB-CB 4.29Å; L390-N392 HydrophobicContact CD2-CB 4.3Å; L390-N392 HydrophobicContact CG-CB 4.47Å; L390-N392 PolarHBondContact O-N 3.42Å; L390-N393 HydrophobicContact CB-CB 4.21Å; L390-N393 VanDerWaalsContact CB-OD1 3.25Å; L390-N393 WeakPolarHBondContact CB-OD1 3.47Å; L390-N393 WeakPolarHBondContact CD2-OD1 3.26Å; L390-N393 WeakPolarHBondContact O-CB 3.48Å; L390-N393 PolarHBondContact O-N 2.89Å
391	V	43.1	Very low	43.1	Very low	105 Å²	105	115.2 Å²	115.2	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-55.7	-32.8	164.9	178.4	0	0	0	0	110	A389 N393 L394 L395	A389-V391 PolarHBondContact O-N 2.65Å; V391-N393 PolarHBondContact O-N 3.47Å; V391-L394 PolarHBondContact O-N 2.95Å; V391-L395 PolarHBondContact O-N 2.83Å
392	N	40.1	Very low	44.8	Very low	101 Å²	101	108.6 Å²	108.6	54%	0.54	61%	0.606	S	S	.	*	H	α-helix	trans	-59.3	-24.4	172.7	-62.5	-2	0	0	0	114	L390 F396	L390-N392 HydrophobicContact CB-CB 4.29Å; L390-N392 HydrophobicContact CD2-CB 4.3Å; L390-N392 HydrophobicContact CG-CB 4.47Å; L390-N392 PolarHBondContact O-N 3.42Å; N392-F396 VanDerWaalsContact O-CD2 3.28Å; N392-F396 WeakPolarHBondContact O-CD2 3.46Å
393	N	40.1	Very low	46.4	Very low	103 Å²	103	102 Å²	102	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-79.6	-32.6	177.6	-70.2	22.7	0	0	0	111.8	L390 V391 L395	L390-N393 HydrophobicContact CB-CB 4.21Å; L390-N393 VanDerWaalsContact CB-OD1 3.25Å; L390-N393 WeakPolarHBondContact CB-OD1 3.47Å; L390-N393 WeakPolarHBondContact CD2-OD1 3.26Å; L390-N393 WeakPolarHBondContact O-CB 3.48Å; L390-N393 PolarHBondContact O-N 2.89Å; V391-N393 PolarHBondContact O-N 3.47Å; N393-L395 PolarHBondContact O-N 3.09Å
394	L	43.9	Very low	48.3	Very low	99 Å²	99	98.5 Å²	98.5	52%	0.518	55%	0.55	S	S	.	*	H	α-helix	trans	-67.6	-21.4	174.8	-81.7	149	0	0	0	112.8	V391 L398 I403	V391-L394 PolarHBondContact O-N 2.95Å; L394-L398 HydrophobicContact CD2-CD1 4.06Å; L394-I403 WeakPolarHBondContact O-CD1 3.18Å
395	L	47.5	Very low	50.2	Low	48 Å²	48	97.4 Å²	97.4	25%	0.251	53%	0.525	S	S	.	.	H	α-helix	trans	-82.1	-5.2	-177.2	-80.4	162.1	0	0	0	115.1	L309 V391 N393	L309-L395 HydrophobicContact CD1-CD2 3.81Å; V391-L395 PolarHBondContact O-N 2.83Å; N393-L395 PolarHBondContact O-N 3.09Å
396	F	44.5	Very low	52.1	Low	170 Å²	170	91.8 Å²	91.8	75%	0.746	51%	0.508	S	S	*	.	H	α-helix	trans	-116.7	-18.1	-177.1	-76	-70.3	0	0	0	115.9	N392	N392-F396 VanDerWaalsContact O-CD2 3.28Å; N392-F396 WeakPolarHBondContact O-CD2 3.46Å
397	E	54.9	Low	54	Low	177 Å²	177	91.2 Å²	91.2	83%	0.827	49%	0.49	S	S	*	.	H	α-helix	trans	-106.9	-14.8	-175.4	-67.7	-170.1	131.5	0	0	115.1
398	L	55.5	Low	55.7	Low	74 Å²	74	82.8 Å²	82.8	39%	0.387	46%	0.456	S	S	.	.	S	Bend	trans	-112.5	135.2	-175.4	-69.4	172.1	0	0	0	111.8	L394 V402 I403	L394-L398 HydrophobicContact CD2-CD1 4.06Å; L398-V402 HydrophobicContact CD2-CG1 4.34Å; L398-I403 HydrophobicContact CB-CD1 4.04Å; L398-I403 HydrophobicContact CB-CG1 3.68Å; L398-I403 HydrophobicContact CD1-CG1 4.48Å; L398-I403 WeakPolarHBondContact O-CD1 3.24Å
399	P	66.9	Low	57.4	Low	80 Å²	80	85.3 Å²	85.3	52%	0.519	45%	0.449	S	S	.	.			trans	-58.7	142.2	173.3	-23.2	33.1	0	0	0	111.7	A401 V402 I403	P399-A401 PolarHBondContact O-N 3.2Å; P399-V402 HydrophobicContact CB-CG2 4.38Å; P399-V402 HydrophobicContact CG-CG2 4.43Å; P399-V402 WeakPolarHBondContact O-CB 3.32Å; P399-V402 PolarHBondContact O-N 3.47Å; P399-I403 PolarHBondContact O-N 2.85Å
400	Y	58.5	Low	59.2	Low	49 Å²	49	87.7 Å²	87.7	19%	0.192	44%	0.437	C	S	.	.	H	α-helix	trans	-39.7	-48.9	179.7	165.7	-105.6	0	0	0	114.3	E305 E308 L309 V402 I403 R404	E305-Y400 HydrophobicContact CB-CD2 4.02Å; E305-Y400 HydrophobicContact CB-CG 4.15Å; E305-Y400 HydrophobicContact CG-CD2 4.32Å; E305-Y400 HydrophobicContact CG-CG 3.95Å; E308-Y400 HydrophobicContact CB-CE2 3.74Å; E308-Y400 WeakPolarHBondContact CB-OH 3.47Å; L309-Y400 HydrophobicContact CD1-CD2 4.23Å; L309-Y400 HydrophobicContact CD2-CD2 3.87Å; L309-Y400 HydrophobicContact CD2-CE2 3.73Å; L309-Y400 HydrophobicContact CG-CD2 3.68Å; L309-Y400 HydrophobicContact CG-CE2 3.7Å; Y400-V402 VanDerWaalsContact C-N 3.31Å; Y400-V402 PolarHBondContact O-N 2.97Å; Y400-I403 PolarHBondContact O-N 2.71Å; Y400-R404 VanDerWaalsContact O-CB 3.25Å; Y400-R404 WeakPolarHBondContact O-CB 3.43Å; Y400-R404 PolarHBondContact O-N 2.87Å
401	A	63.5	Low	60.8	Low	45 Å²	45	84.5 Å²	84.5	37%	0.372	42%	0.422	S	S	.	.	H	α-helix	trans	-58.3	-38.3	179.7	0	0	0	0	0	113.3	P399 D405	P399-A401 PolarHBondContact O-N 3.2Å; A401-D405 VanDerWaalsContact O-CB 3.24Å; A401-D405 WeakPolarHBondContact O-CB 3.41Å; A401-D405 PolarHBondContact O-N 3.49Å
402	V	68.4	Low	62.1	Low	71 Å²	71	85.3 Å²	85.3	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-44.4	179.6	-175	0	0	0	0	110.7	L398 P399 Y400 D405 D406	L398-V402 HydrophobicContact CD2-CG1 4.34Å; P399-V402 HydrophobicContact CB-CG2 4.38Å; P399-V402 HydrophobicContact CG-CG2 4.43Å; P399-V402 WeakPolarHBondContact O-CB 3.32Å; P399-V402 PolarHBondContact O-N 3.47Å; Y400-V402 VanDerWaalsContact C-N 3.31Å; Y400-V402 PolarHBondContact O-N 2.97Å; V402-D405 PolarHBondContact O-N 3.43Å; V402-D406 VanDerWaalsContact O-CB 3.32Å; V402-D406 WeakPolarHBondContact O-CB 3.22Å; V402-D406 PolarHBondContact O-N 3.35Å
403	I	66.9	Low	63.7	Low	32 Å²	32	87.2 Å²	87.2	16%	0.164	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-47	177	-56.5	178.1	0	0	0	110.1	L309 L394 L398 P399 Y400 D405 L407	L309-I403 HydrophobicContact CD1-CG2 4.24Å; L309-I403 HydrophobicContact CD2-CB 4.49Å; L309-I403 HydrophobicContact CD2-CG2 4.09Å; L394-I403 WeakPolarHBondContact O-CD1 3.18Å; L398-I403 HydrophobicContact CB-CD1 4.04Å; L398-I403 HydrophobicContact CB-CG1 3.68Å; L398-I403 HydrophobicContact CD1-CG1 4.48Å; L398-I403 WeakPolarHBondContact O-CD1 3.24Å; P399-I403 PolarHBondContact O-N 2.85Å; Y400-I403 PolarHBondContact O-N 2.71Å; I403-D405 PolarHBondContact O-N 3.21Å; I403-L407 WeakPolarHBondContact O-CB 3.22Å; I403-L407 PolarHBondContact O-N 3.48Å
404	R	70.5	Confident	65.2	Low	95 Å²	95	87.3 Å²	87.3	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-56.9	-48.4	177.6	-171.1	-162.7	67.6	179.2	-2.9	111.8	L309 L312 Y400 T408	L309-R404 HydrophobicContact CD2-CB 4.5Å; L312-R404 HydrophobicContact CD2-CG 3.57Å; Y400-R404 VanDerWaalsContact O-CB 3.25Å; Y400-R404 WeakPolarHBondContact O-CB 3.43Å; Y400-R404 PolarHBondContact O-N 2.87Å; R404-T408 VanDerWaalsContact O-CB 3.29Å; R404-T408 WeakPolarHBondContact O-CB 3.38Å; R404-T408 PolarHBondContact O-N 3.2Å; R404-T408 PolarHBondContact O-OG1 2.99Å
405	D	71.8	Confident	66.5	Low	57 Å²	57	83.5 Å²	83.5	31%	0.305	40%	0.399	S	S	.	.	H	α-helix	trans	-79.1	-29.1	-172.9	-63.8	-4.1	0	0	0	112.5	A401 V402 I403 R409	A401-D405 VanDerWaalsContact O-CB 3.24Å; A401-D405 WeakPolarHBondContact O-CB 3.41Å; A401-D405 PolarHBondContact O-N 3.49Å; V402-D405 PolarHBondContact O-N 3.43Å; I403-D405 PolarHBondContact O-N 3.21Å; D405-R409 WeakPolarHBondContact O-CB 3.47Å; D405-R409 WeakPolarHBondContact O-CG 3.24Å; D405-R409 PolarHBondContact O-N 3.07Å; D405-R409 PolarHBondContact O-NE 3.44Å
406	D	72.7	Confident	67.6	Low	57 Å²	57	88 Å²	88	31%	0.305	41%	0.413	S	S	.	.	H	α-helix	trans	-71.9	-49.1	169.9	-180	32.1	0	0	0	111.2	V402 T408 R409 R410	V402-D406 VanDerWaalsContact O-CB 3.32Å; V402-D406 WeakPolarHBondContact O-CB 3.22Å; V402-D406 PolarHBondContact O-N 3.35Å; D406-T408 VanDerWaalsContact C-N 3.32Å; D406-T408 PolarHBondContact O-N 2.85Å; D406-R409 PolarHBondContact O-N 3.31Å; D406-R409 VanDerWaalsContact O-N 3.16Å; D406-R410 WeakPolarHBondContact O-CG 3.34Å; D406-R410 PolarHBondContact O-N 3.12Å; D406-R410 IonicContact OD1-CZ 2.64Å; D406-R410 IonicContact OD1-NE 3.57Å; D406-R410 PolarHBondContact OD1-NE 3.01Å; D406-R410 IonicContact OD1-NH2 3.66Å; D406-R410 IonicContact OD2-CZ 3Å; D406-R410 IonicContact OD2-NE 2.85Å; D406-R410 PolarHBondContact OD2-NE 3.2Å; D406-R410 IonicContact OD2-NH2 3.19Å; D406-R410 PolarHBondContact OD2-NH2 2.91Å
407	L	74.1	Confident	68.8	Low	53 Å²	53	82.1 Å²	82.1	28%	0.277	39%	0.392	S	S	.	.	H	α-helix	trans	-56.1	-46.3	176.4	179.6	65.1	0	0	0	111.7	V313 L316 I403 R410 V411	V313-L407 HydrophobicContact CG2-CD2 3.73Å; L316-L407 HydrophobicContact CD1-CD2 4.11Å; L316-L407 HydrophobicContact CD1-CG 4.18Å; I403-L407 WeakPolarHBondContact O-CB 3.22Å; I403-L407 PolarHBondContact O-N 3.48Å; L407-R410 PolarHBondContact O-N 3.46Å; L407-V411 HydrophobicContact CD1-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CG2 3.44Å; L407-V411 PolarHBondContact O-N 3.4Å
408	T	73.4	Confident	69.6	Low	28 Å²	28	77.5 Å²	77.5	17%	0.172	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-41.4	178.7	-55.2	0	0	0	0	111.5	R404 D406 V411 R412	R404-T408 VanDerWaalsContact O-CB 3.29Å; R404-T408 WeakPolarHBondContact O-CB 3.38Å; R404-T408 PolarHBondContact O-N 3.2Å; R404-T408 PolarHBondContact O-OG1 2.99Å; D406-T408 VanDerWaalsContact C-N 3.32Å; D406-T408 PolarHBondContact O-N 2.85Å; T408-V411 PolarHBondContact O-N 3.41Å; T408-R412 WeakPolarHBondContact O-CB 3.37Å; T408-R412 WeakPolarHBondContact O-CG 3.35Å; T408-R412 PolarHBondContact O-N 3.09Å
409	R	72.9	Confident	70.5	Confident	160 Å²	160	77.4 Å²	77.4	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-42.7	173.8	-84.8	178.3	-79.1	-163.8	-6.1	112.5	D405 D406 R412 F413	D405-R409 WeakPolarHBondContact O-CB 3.47Å; D405-R409 WeakPolarHBondContact O-CG 3.24Å; D405-R409 PolarHBondContact O-N 3.07Å; D405-R409 PolarHBondContact O-NE 3.44Å; D406-R409 PolarHBondContact O-N 3.31Å; D406-R409 VanDerWaalsContact O-N 3.16Å; R409-R412 PolarHBondContact O-N 3.02Å; R409-F413 WeakPolarHBondContact O-CB 3.5Å; R409-F413 PolarHBondContact O-N 2.9Å
410	R	74.1	Confident	70.5	Confident	145 Å²	145	77.1 Å²	77.1	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176.9	-69.8	176.3	-168.1	-144.4	11.7	112	D406 L407 F413 L414	D406-R410 WeakPolarHBondContact O-CG 3.34Å; D406-R410 PolarHBondContact O-N 3.12Å; D406-R410 IonicContact OD1-CZ 2.64Å; D406-R410 IonicContact OD1-NE 3.57Å; D406-R410 PolarHBondContact OD1-NE 3.01Å; D406-R410 IonicContact OD1-NH2 3.66Å; D406-R410 IonicContact OD2-CZ 3Å; D406-R410 IonicContact OD2-NE 2.85Å; D406-R410 PolarHBondContact OD2-NE 3.2Å; D406-R410 IonicContact OD2-NH2 3.19Å; D406-R410 PolarHBondContact OD2-NH2 2.91Å; L407-R410 PolarHBondContact O-N 3.46Å; R410-F413 PolarHBondContact O-N 3.17Å; R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 VanDerWaalsContact O-CG 3.28Å; R410-L414 WeakPolarHBondContact O-CG 3.42Å; R410-L414 PolarHBondContact O-N 2.95Å
411	V	72.7	Confident	71	Confident	26 Å²	26	81.6 Å²	81.6	16%	0.158	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-42.6	177.5	177.8	0	0	0	0	111.5	L316 I320 L407 T408 F413 L414 S415	L316-V411 HydrophobicContact CD1-CG2 4.36Å; L316-V411 HydrophobicContact CD2-CB 4.3Å; L316-V411 HydrophobicContact CD2-CG1 4.02Å; I320-V411 HydrophobicContact CD1-CG1 4.11Å; L407-V411 HydrophobicContact CD1-CG2 4.49Å; L407-V411 WeakPolarHBondContact O-CG2 3.44Å; L407-V411 PolarHBondContact O-N 3.4Å; T408-V411 PolarHBondContact O-N 3.41Å; V411-F413 VanDerWaalsContact C-N 3.34Å; V411-F413 PolarHBondContact O-N 3.21Å; V411-L414 PolarHBondContact O-N 3.01Å; V411-S415 PolarHBondContact O-N 3.44Å; V411-S415 PolarHBondContact O-OG 3.18Å
412	R	71.7	Confident	71.3	Confident	122 Å²	122	82 Å²	82	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-59.7	-41.2	172.9	-77	177.2	172.6	155.9	-4.1	112.5	T408 R409 S415 R416	T408-R412 WeakPolarHBondContact O-CB 3.37Å; T408-R412 WeakPolarHBondContact O-CG 3.35Å; T408-R412 PolarHBondContact O-N 3.09Å; R409-R412 PolarHBondContact O-N 3.02Å; R412-S415 PolarHBondContact O-OG 3.04Å; R412-S415 VanDerWaalsContact O-OG 3.09Å; R412-R416 VanDerWaalsContact O-CB 3.28Å; R412-R416 WeakPolarHBondContact O-CB 3.43Å; R412-R416 PolarHBondContact O-N 3.28Å
413	F	73.3	Confident	71.4	Confident	141 Å²	141	83.5 Å²	83.5	62%	0.618	38%	0.383	S	S	*	.	H	α-helix	trans	-63.5	-48.3	175.4	177.8	-98.1	0	0	0	111.5	R409 R410 V411 R416 C417	R409-F413 WeakPolarHBondContact O-CB 3.5Å; R409-F413 PolarHBondContact O-N 2.9Å; R410-F413 PolarHBondContact O-N 3.17Å; V411-F413 VanDerWaalsContact C-N 3.34Å; V411-F413 PolarHBondContact O-N 3.21Å; F413-R416 PolarHBondContact O-N 3.41Å; F413-C417 WeakPolarHBondContact O-CB 3.43Å; F413-C417 PolarHBondContact O-N 2.94Å; F413-C417 PolarHBondContact O-SG 3.49Å; F413-C417 VanDerWaalsContact O-SG 3.39Å
414	L	72.2	Confident	71.3	Confident	104 Å²	104	86.1 Å²	86.1	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-62.9	-43.6	179.3	-72.2	168.6	0	0	0	112.2	R410 V411 C417 L418	R410-L414 WeakPolarHBondContact O-CB 3.47Å; R410-L414 VanDerWaalsContact O-CG 3.28Å; R410-L414 WeakPolarHBondContact O-CG 3.42Å; R410-L414 PolarHBondContact O-N 2.95Å; V411-L414 PolarHBondContact O-N 3.01Å; L414-C417 PolarHBondContact O-N 2.87Å; L414-L418 WeakPolarHBondContact O-CB 3.49Å; L414-L418 VanDerWaalsContact O-CG 3.3Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 2.71Å
415	S	70.1	Confident	71	Confident	20 Å²	20	87.1 Å²	87.1	14%	0.14	42%	0.415	C	S	.	.	H	α-helix	trans	-65.4	-44.2	177	66.9	0	0	0	0	111.9	V411 R412 C417 L418 W419	V411-S415 PolarHBondContact O-N 3.44Å; V411-S415 PolarHBondContact O-OG 3.18Å; R412-S415 PolarHBondContact O-OG 3.04Å; R412-S415 VanDerWaalsContact O-OG 3.09Å; S415-C417 VanDerWaalsContact C-N 3.35Å; S415-C417 PolarHBondContact O-N 2.88Å; S415-L418 PolarHBondContact O-N 3.33Å; S415-W419 WeakPolarHBondContact O-CB 3.34Å; S415-W419 PolarHBondContact O-N 3Å
416	R	70.9	Confident	70.7	Confident	143 Å²	143	86.1 Å²	86.1	54%	0.54	41%	0.414	S	S	.	.	H	α-helix	trans	-63.9	-38.8	176.4	-154.1	177	-163	89	-5.5	111.4	D355 R412 F413 W419 C420	D355-R416 VanDerWaalsContact CG-NH1 3.28Å; D355-R416 IonicContact OD1-NH1 3.86Å; D355-R416 PolarHBondContact OD1-NH1 3.12Å; D355-R416 VanDerWaalsContact OD1-NH1 3.07Å; D355-R416 IonicContact OD2-CZ 2.9Å; D355-R416 IonicContact OD2-NH1 2.78Å; D355-R416 PolarHBondContact OD2-NH1 3.3Å; D355-R416 IonicContact OD2-NH2 3.48Å; D355-R416 PolarHBondContact OD2-NH2 3.11Å; R412-R416 VanDerWaalsContact O-CB 3.28Å; R412-R416 WeakPolarHBondContact O-CB 3.43Å; R412-R416 PolarHBondContact O-N 3.28Å; F413-R416 PolarHBondContact O-N 3.41Å; R416-W419 PolarHBondContact O-N 2.98Å; R416-C420 WeakPolarHBondContact O-CB 3.4Å; R416-C420 PolarHBondContact O-N 3.49Å; R416-C420 PolarHBondContact O-SG 2.95Å
417	C	70.8	Confident	70.4	Confident	45 Å²	45	91 Å²	91	30%	0.304	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-40.7	172.8	-78.5	0	0	0	0	113.3	F413 L414 S415 K421	F413-C417 WeakPolarHBondContact O-CB 3.43Å; F413-C417 PolarHBondContact O-N 2.94Å; F413-C417 PolarHBondContact O-SG 3.49Å; F413-C417 VanDerWaalsContact O-SG 3.39Å; L414-C417 PolarHBondContact O-N 2.87Å; S415-C417 VanDerWaalsContact C-N 3.35Å; S415-C417 PolarHBondContact O-N 2.88Å; C417-K421 WeakPolarHBondContact O-CG 3.46Å; C417-K421 PolarHBondContact O-N 2.94Å; C417-K421 VanDerWaalsContact O-N 3.09Å
418	L	71.5	Confident	69.8	Low	80 Å²	80	95.2 Å²	95.2	42%	0.419	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-46.3	174.6	-74.7	166.3	0	0	0	111.1	L414 S415 C420 K421 L422	L414-L418 WeakPolarHBondContact O-CB 3.49Å; L414-L418 VanDerWaalsContact O-CG 3.3Å; L414-L418 WeakPolarHBondContact O-CG 3.37Å; L414-L418 PolarHBondContact O-N 2.71Å; S415-L418 PolarHBondContact O-N 3.33Å; L418-C420 PolarHBondContact O-N 3.37Å; L418-K421 PolarHBondContact O-N 2.99Å; L418-L422 WeakPolarHBondContact O-CB 3.21Å; L418-L422 PolarHBondContact O-N 2.9Å
419	W	73.1	Confident	69.1	Low	73 Å²	73	98.8 Å²	98.8	28%	0.277	46%	0.462	S	S	.	.	H	α-helix	trans	-61.8	-42.5	178.3	-169.5	-135.3	0	0	0	112.6	F323 S415 R416 L422 K423	F323-W419 HydrophobicContact CE2-CE3 4.1Å; F323-W419 HydrophobicContact CE2-CZ3 4.32Å; F323-W419 HydrophobicContact CZ-CE3 4.09Å; S415-W419 WeakPolarHBondContact O-CB 3.34Å; S415-W419 PolarHBondContact O-N 3Å; R416-W419 PolarHBondContact O-N 2.98Å; W419-L422 HydrophobicContact CE3-CD2 3.97Å; W419-L422 HydrophobicContact CZ3-CD2 3.84Å; W419-L422 PolarHBondContact O-N 3.39Å; W419-K423 VanDerWaalsContact CE2-CE 3.42Å; W419-K423 VanDerWaalsContact CZ2-CE 3.5Å; W419-K423 WeakPolarHBondContact O-CB 3.42Å; W419-K423 PolarHBondContact O-N 3.29Å
420	C	67	Low	68.4	Low	73 Å²	73	95.9 Å²	95.9	49%	0.493	46%	0.456	S	S	.	.	H	α-helix	trans	-62.3	-45.1	173.3	-75	0	0	0	0	112.2	R416 L418 L422 K423 C424	R416-C420 WeakPolarHBondContact O-CB 3.4Å; R416-C420 PolarHBondContact O-N 3.49Å; R416-C420 PolarHBondContact O-SG 2.95Å; L418-C420 PolarHBondContact O-N 3.37Å; C420-L422 VanDerWaalsContact C-N 3.34Å; C420-L422 PolarHBondContact O-N 3.45Å; C420-K423 PolarHBondContact O-N 2.9Å; C420-C424 WeakPolarHBondContact O-CB 3.41Å; C420-C424 PolarHBondContact O-N 2.79Å; C420-C424 PolarHBondContact O-SG 3.46Å; C420-C424 VanDerWaalsContact O-SG 3.36Å
421	K	70.2	Confident	67.5	Low	144 Å²	144	91.4 Å²	91.4	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-60.5	-42.3	175	-74.5	172.5	-179.5	177.8	0	111.8	C417 L418 C424 L425	C417-K421 WeakPolarHBondContact O-CG 3.46Å; C417-K421 PolarHBondContact O-N 2.94Å; C417-K421 VanDerWaalsContact O-N 3.09Å; L418-K421 PolarHBondContact O-N 2.99Å; K421-C424 WeakPolarHBondContact O-CB 3.46Å; K421-C424 PolarHBondContact O-N 3.49Å; K421-L425 WeakPolarHBondContact O-CG 3.37Å; K421-L425 PolarHBondContact O-N 3.04Å
422	L	68.6	Low	66.9	Low	52 Å²	52	95.8 Å²	95.8	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-46.9	177.7	-163	98.2	0	0	0	111.9	L327 L418 W419 C420 C424 L425 A426	L327-L422 HydrophobicContact CD1-CD1 4.2Å; L327-L422 HydrophobicContact CD2-CD1 3.84Å; L327-L422 HydrophobicContact CD2-CD2 3.45Å; L327-L422 VanDerWaalsContact CD2-CD2 3.45Å; L327-L422 HydrophobicContact CD2-CG 4.28Å; L418-L422 WeakPolarHBondContact O-CB 3.21Å; L418-L422 PolarHBondContact O-N 2.9Å; W419-L422 HydrophobicContact CE3-CD2 3.97Å; W419-L422 HydrophobicContact CZ3-CD2 3.84Å; W419-L422 PolarHBondContact O-N 3.39Å; C420-L422 VanDerWaalsContact C-N 3.34Å; C420-L422 PolarHBondContact O-N 3.45Å; L422-C424 VanDerWaalsContact C-N 3.27Å; L422-C424 PolarHBondContact O-N 3.11Å; L422-L425 PolarHBondContact O-N 3.45Å; L422-L425 VanDerWaalsContact O-N 3.12Å; L422-A426 PolarHBondContact O-N 3.32Å
423	K	70.2	Confident	66.1	Low	104 Å²	104	92.4 Å²	92.4	45%	0.452	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-33.5	175.4	-78.8	-175	169.5	177.5	0	112	W419 C420 K427	W419-K423 VanDerWaalsContact CE2-CE 3.42Å; W419-K423 VanDerWaalsContact CZ2-CE 3.5Å; W419-K423 WeakPolarHBondContact O-CB 3.42Å; W419-K423 PolarHBondContact O-N 3.29Å; C420-K423 PolarHBondContact O-N 2.9Å; K423-K427 WeakPolarHBondContact O-CB 3.35Å; K423-K427 VanDerWaalsContact O-CG 3.3Å; K423-K427 WeakPolarHBondContact O-CG 3.21Å; K423-K427 PolarHBondContact O-N 3.36Å; K423-K427 VanDerWaalsContact O-N 3.09Å
424	C	64.6	Low	64.7	Low	87 Å²	87	94.1 Å²	94.1	59%	0.588	46%	0.462	S	S	*	.	H	α-helix	trans	-66.4	-45.2	170.6	-74.3	0	0	0	0	112.6	C420 K421 L422 K427 H428	C420-C424 WeakPolarHBondContact O-CB 3.41Å; C420-C424 PolarHBondContact O-N 2.79Å; C420-C424 PolarHBondContact O-SG 3.46Å; C420-C424 VanDerWaalsContact O-SG 3.36Å; K421-C424 WeakPolarHBondContact O-CB 3.46Å; K421-C424 PolarHBondContact O-N 3.49Å; L422-C424 VanDerWaalsContact C-N 3.27Å; L422-C424 PolarHBondContact O-N 3.11Å; C424-K427 PolarHBondContact O-N 3.27Å; C424-H428 WeakPolarHBondContact O-CB 3.42Å; C424-H428 PolarHBondContact O-N 3.28Å
425	L	66	Low	63.6	Low	116 Å²	116	93.4 Å²	93.4	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-46.1	176.6	-73.7	168.6	0	0	0	112.1	K421 L422 K427 H428 Y429	K421-L425 WeakPolarHBondContact O-CG 3.37Å; K421-L425 PolarHBondContact O-N 3.04Å; L422-L425 PolarHBondContact O-N 3.45Å; L422-L425 VanDerWaalsContact O-N 3.12Å; L425-K427 PolarHBondContact O-N 2.91Å; L425-H428 PolarHBondContact O-N 3.05Å; L425-H428 VanDerWaalsContact O-N 3.15Å; L425-Y429 PolarHBondContact O-N 3.35Å
426	A	64.5	Low	62.6	Low	35 Å²	35	95.6 Å²	95.6	29%	0.289	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-44.5	177.5	0	0	0	0	0	112.1	W334 L422 H428 Y429 M430	W334-A426 HydrophobicContact CH2-CB 4.33Å; L422-A426 PolarHBondContact O-N 3.32Å; A426-H428 VanDerWaalsContact C-N 3.34Å; A426-H428 PolarHBondContact O-N 2.67Å; A426-Y429 PolarHBondContact O-N 2.83Å; A426-M430 WeakPolarHBondContact O-CB 3.48Å; A426-M430 PolarHBondContact O-N 2.66Å
427	K	66	Low	61.3	Low	161 Å²	161	92.8 Å²	92.8	70%	0.7	47%	0.47	S	S	*	.	H	α-helix	trans	-60.7	-41	172.5	-77.5	179.5	177.4	-175.1	0	112.2	K423 C424 L425 Y429 M430 A431	K423-K427 WeakPolarHBondContact O-CB 3.35Å; K423-K427 VanDerWaalsContact O-CG 3.3Å; K423-K427 WeakPolarHBondContact O-CG 3.21Å; K423-K427 PolarHBondContact O-N 3.36Å; K423-K427 VanDerWaalsContact O-N 3.09Å; C424-K427 PolarHBondContact O-N 3.27Å; L425-K427 PolarHBondContact O-N 2.91Å; K427-Y429 VanDerWaalsContact C-N 3.34Å; K427-M430 PolarHBondContact O-N 3.13Å; K427-A431 WeakPolarHBondContact O-CB 3.46Å; K427-A431 PolarHBondContact O-N 3.38Å
428	H	61.3	Low	60	Low	140 Å²	140	96 Å²	96	65%	0.648	48%	0.48	S	S	*	.	H	α-helix	trans	-70.8	-30.2	-179.6	-156	-38	0	0	0	112.5	C424 L425 A426 K432	C424-H428 WeakPolarHBondContact O-CB 3.42Å; C424-H428 PolarHBondContact O-N 3.28Å; L425-H428 PolarHBondContact O-N 3.05Å; L425-H428 VanDerWaalsContact O-N 3.15Å; A426-H428 VanDerWaalsContact C-N 3.34Å; A426-H428 PolarHBondContact O-N 2.67Å; H428-K432 WeakPolarHBondContact O-CB 3.39Å; H428-K432 PolarHBondContact O-N 3.01Å
429	Y	59.3	Low	58.6	Low	104 Å²	104	101.1 Å²	101.1	41%	0.408	49%	0.494	S	S	.	.	H	α-helix	trans	-68.6	-51.3	170.9	-165.1	-92.8	0	0	0	111	W334 L425 A426 K427 A431 K432 T433	W334-Y429 HydrophobicContact CE3-CD1 4.24Å; W334-Y429 HydrophobicContact CZ3-CD1 4.07Å; L425-Y429 PolarHBondContact O-N 3.35Å; A426-Y429 PolarHBondContact O-N 2.83Å; K427-Y429 VanDerWaalsContact C-N 3.34Å; Y429-A431 VanDerWaalsContact C-N 3.33Å; Y429-A431 PolarHBondContact O-N 3.1Å; Y429-K432 WeakPolarHBondContact O-CA 3.45Å; Y429-K432 WeakPolarHBondContact O-CB 3.23Å; Y429-K432 PolarHBondContact O-N 3.41Å; Y429-T433 HydrophobicContact CD1-CG2 4.15Å; Y429-T433 HydrophobicContact CE1-CG2 3.88Å; Y429-T433 PolarHBondContact O-N 3.08Å; Y429-T433 PolarHBondContact O-OG1 3.32Å
430	M	58.1	Low	57.3	Low	99 Å²	99	103.6 Å²	103.6	49%	0.488	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-35.9	178.1	-78.2	-70.5	174.5	0	0	113.6	W334 A426 K427 K432 T433 R434	W334-M430 HydrophobicContact CH2-CE 3.46Å; W334-M430 VanDerWaalsContact CH2-CE 3.46Å; W334-M430 HydrophobicContact CH2-CG 4.13Å; W334-M430 HydrophobicContact CZ2-CE 4.23Å; W334-M430 HydrophobicContact CZ3-CE 3.69Å; W334-M430 HydrophobicContact CZ3-CG 4.29Å; A426-M430 WeakPolarHBondContact O-CB 3.48Å; A426-M430 PolarHBondContact O-N 2.66Å; K427-M430 PolarHBondContact O-N 3.13Å; M430-K432 VanDerWaalsContact C-N 3.34Å; M430-T433 WeakPolarHBondContact CA-OG1 3.46Å; M430-T433 PolarHBondContact O-OG1 3.49Å; M430-T433 VanDerWaalsContact O-OG1 3.07Å; M430-R434 WeakPolarHBondContact O-CB 3.48Å; M430-R434 PolarHBondContact O-N 2.86Å
431	A	56	Low	56.2	Low	50 Å²	50	105.1 Å²	105.1	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-37.3	172.2	0	0	0	0	0	112.1	K427 Y429 I435	K427-A431 WeakPolarHBondContact O-CB 3.46Å; K427-A431 PolarHBondContact O-N 3.38Å; Y429-A431 VanDerWaalsContact C-N 3.33Å; Y429-A431 PolarHBondContact O-N 3.1Å; A431-I435 WeakPolarHBondContact O-CD1 3.43Å; A431-I435 VanDerWaalsContact O-CG1 3.25Å; A431-I435 WeakPolarHBondContact O-CG1 3.37Å; A431-I435 PolarHBondContact O-N 3.07Å
432	K	59.6	Low	54.8	Low	119 Å²	119	103.4 Å²	103.4	52%	0.517	52%	0.521	S	S	.	.	H	α-helix	trans	-73.1	-38.9	-179.2	-167.8	179.9	178.9	-172.6	0	112.3	H428 Y429 M430 T436	H428-K432 WeakPolarHBondContact O-CB 3.39Å; H428-K432 PolarHBondContact O-N 3.01Å; Y429-K432 WeakPolarHBondContact O-CA 3.45Å; Y429-K432 WeakPolarHBondContact O-CB 3.23Å; Y429-K432 PolarHBondContact O-N 3.41Å; M430-K432 VanDerWaalsContact C-N 3.34Å; K432-T436 PolarHBondContact O-N 3.46Å; K432-T436 PolarHBondContact O-OG1 2.77Å; K432-T436 VanDerWaalsContact O-OG1 3.04Å
433	T	54	Low	53.5	Low	51 Å²	51	109.6 Å²	109.6	31%	0.313	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-45	174.2	50.3	0	0	0	0	111.3	Y429 M430 I435 T436 T437	Y429-T433 HydrophobicContact CD1-CG2 4.15Å; Y429-T433 HydrophobicContact CE1-CG2 3.88Å; Y429-T433 PolarHBondContact O-N 3.08Å; Y429-T433 PolarHBondContact O-OG1 3.32Å; M430-T433 WeakPolarHBondContact CA-OG1 3.46Å; M430-T433 PolarHBondContact O-OG1 3.49Å; M430-T433 VanDerWaalsContact O-OG1 3.07Å; T433-I435 VanDerWaalsContact C-N 3.33Å; T433-I435 PolarHBondContact O-N 3.4Å; T433-T436 WeakPolarHBondContact CA-OG1 3.44Å; T433-T436 PolarHBondContact O-N 2.73Å; T433-T436 PolarHBondContact O-OG1 3.42Å; T433-T437 PolarHBondContact O-N 3.18Å; T433-T437 PolarHBondContact O-OG1 3.14Å
434	R	45.4	Very low	52	Low	176 Å²	176	112 Å²	112	66%	0.664	56%	0.564	S	S	*	*	H	α-helix	trans	-58.1	-42.9	178.4	-148.1	-177.7	-157.5	179	6.9	113.1	M430 T436 T437 E438	M430-R434 WeakPolarHBondContact O-CB 3.48Å; M430-R434 PolarHBondContact O-N 2.86Å; R434-T436 VanDerWaalsContact C-N 3.29Å; R434-T436 PolarHBondContact O-N 2.81Å; R434-T437 PolarHBondContact O-N 2.85Å; R434-E438 IonicContact NE-OE1 2.63Å; R434-E438 WeakPolarHBondContact O-CG 3.41Å; R434-E438 PolarHBondContact O-N 3.21Å
435	I	49.5	Very low	50.4	Low	89 Å²	89	112.1 Å²	112.1	46%	0.456	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-28.1	177.9	-68.7	166.8	0	0	0	112.7	A431 T433 R439	A431-I435 WeakPolarHBondContact O-CD1 3.43Å; A431-I435 VanDerWaalsContact O-CG1 3.25Å; A431-I435 WeakPolarHBondContact O-CG1 3.37Å; A431-I435 PolarHBondContact O-N 3.07Å; T433-I435 VanDerWaalsContact C-N 3.33Å; T433-I435 PolarHBondContact O-N 3.4Å; I435-R439 PolarHBondContact O-N 3.17Å
436	T	48.1	Very low	49	Very low	66 Å²	66	112.6 Å²	112.6	41%	0.405	58%	0.578	S	S	.	*	H	α-helix	trans	-80.1	-37	175.4	36.8	0	0	0	0	112	K432 T433 R434 N440	K432-T436 PolarHBondContact O-N 3.46Å; K432-T436 PolarHBondContact O-OG1 2.77Å; K432-T436 VanDerWaalsContact O-OG1 3.04Å; T433-T436 WeakPolarHBondContact CA-OG1 3.44Å; T433-T436 PolarHBondContact O-N 2.73Å; T433-T436 PolarHBondContact O-OG1 3.42Å; R434-T436 VanDerWaalsContact C-N 3.29Å; R434-T436 PolarHBondContact O-N 2.81Å; T436-N440 PolarHBondContact O-N 3.35Å; T436-N440 PolarHBondContact O-ND2 3.08Å
437	T	44.2	Very low	47.6	Very low	85 Å²	85	118.3 Å²	118.3	52%	0.521	60%	0.604	S	S	.	*	H	α-helix	trans	-63.8	-49.6	173.7	-46.8	0	0	0	0	111.8	T433 R434 R439 N440 V441	T433-T437 PolarHBondContact O-N 3.18Å; T433-T437 PolarHBondContact O-OG1 3.14Å; R434-T437 PolarHBondContact O-N 2.85Å; T437-R439 VanDerWaalsContact C-N 3.31Å; T437-R439 PolarHBondContact O-N 2.95Å; T437-N440 PolarHBondContact O-N 3.21Å; T437-N440 VanDerWaalsContact O-N 3.1Å; T437-V441 HydrophobicContact CG2-CG2 4.39Å; T437-V441 WeakPolarHBondContact O-CG2 3.27Å; T437-V441 PolarHBondContact O-N 3.02Å; T437-V441 VanDerWaalsContact O-N 3.09Å
438	E	42.6	Very low	46	Very low	113 Å²	113	115.8 Å²	115.8	53%	0.528	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-30.1	-177	-70.6	171.2	-170.7	0	0	113.2	R434 T442	R434-E438 IonicContact NE-OE1 2.63Å; R434-E438 WeakPolarHBondContact O-CG 3.41Å; R434-E438 PolarHBondContact O-N 3.21Å; E438-T442 PolarHBondContact O-OG1 2.89Å
439	R	43	Very low	44.6	Very low	186 Å²	186	117.6 Å²	117.6	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-75.7	-21.1	173.6	-90.6	-167.8	167.7	105	-1.2	114.9	I435 T437 T442	I435-R439 PolarHBondContact O-N 3.17Å; T437-R439 VanDerWaalsContact C-N 3.31Å; T437-R439 PolarHBondContact O-N 2.95Å; R439-T442 PolarHBondContact O-OG1 3.46Å
440	N	44.3	Very low	43	Very low	126 Å²	126	118.2 Å²	118.2	67%	0.674	63%	0.63	S	S	*	*	H	α-helix	trans	-92.5	-32.1	179.2	-72.8	-15.9	0	0	0	112.2	T436 T437 T442	T436-N440 PolarHBondContact O-N 3.35Å; T436-N440 PolarHBondContact O-ND2 3.08Å; T437-N440 PolarHBondContact O-N 3.21Å; T437-N440 VanDerWaalsContact O-N 3.1Å; N440-T442 VanDerWaalsContact C-N 3.26Å; N440-T442 PolarHBondContact O-N 3.26Å
441	V	44	Very low	41.7	Very low	104 Å²	104	122.9 Å²	122.9	63%	0.63	65%	0.648	S	S	*	*	H	α-helix	trans	-65.6	-28	176.1	171.2	0	0	0	0	112.4	T437 K443	T437-V441 HydrophobicContact CG2-CG2 4.39Å; T437-V441 WeakPolarHBondContact O-CG2 3.27Å; T437-V441 PolarHBondContact O-N 3.02Å; T437-V441 VanDerWaalsContact O-N 3.09Å; V441-K443 VanDerWaalsContact C-N 3.28Å; V441-K443 PolarHBondContact O-N 3.49Å
442	T	42	Very low	40.4	Very low	109 Å²	109	126.7 Å²	126.7	67%	0.669	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	16.7	-172.8	39.3	0	0	0	0	115.7	E438 R439 N440	E438-T442 PolarHBondContact O-OG1 2.89Å; R439-T442 PolarHBondContact O-OG1 3.46Å; N440-T442 VanDerWaalsContact C-N 3.26Å; N440-T442 PolarHBondContact O-N 3.26Å
443	K	41.4	Very low	39	Very low	182 Å²	182	128.4 Å²	128.4	79%	0.791	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	-13.4	179	-85.8	-169.2	172.2	-174.6	0	118.2	V441	V441-K443 VanDerWaalsContact C-N 3.28Å; V441-K443 PolarHBondContact O-N 3.49Å
444	N	37.4	Very low	37.8	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	70%	0.701	S	S	*	*			trans	-110.6	22.7	-177.4	-74.1	5.8	0	0	0	113.8	V446	N444-V446 PolarHBondContact O-N 3.42Å
445	A	30.8	Very low	37.1	Very low	90 Å²	90	131.6 Å²	131.6	74%	0.744	71%	0.708	S	S	*	*			trans	-91.9	83.9	175.5	0	0	0	0	0	111.4
446	V	37.5	Very low	36.4	Very low	125 Å²	125	133.2 Å²	133.2	76%	0.758	72%	0.724	S	S	*	*			trans	177.7	103.2	151.5	146.6	0	0	0	0	107	N444	N444-V446 PolarHBondContact O-N 3.42Å
447	N	35.9	Very low	35.5	Very low	155 Å²	155	136.2 Å²	136.2	83%	0.829	74%	0.742	S	S	*	*			trans	172.6	109.9	138.3	-90.4	-18.2	0	0	0	110.6
448	S	31.7	Very low	35	Very low	109 Å²	109	137.9 Å²	137.9	76%	0.762	76%	0.757	S	S	*	*			trans	-26.8	155.9	164.5	-44.9	0	0	0	0	118.8
449	Q	31.2	Very low	34.6	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	77%	0.767	S	S	*	*			trans	103.9	112.7	132.9	-149.1	150	1.1	0	0	118.1
450	T	26.2	Very low	33.9	Very low	117 Å²	117	130.1 Å²	130.1	72%	0.718	77%	0.765	S	S	*	*			trans	-36.1	135.6	164.4	-37.7	0	0	0	0	114.6
451	F	31.7	Very low	33.6	Very low	198 Å²	198	131.4 Å²	131.4	87%	0.868	77%	0.772	S	S	*	*				-160.7	142.5	125.2	-97.3	-65.1	0	0	0	110.8
452	V	27.2	Very low	33.3	Very low	129 Å²	129	132.8 Å²	132.8	78%	0.782	78%	0.776	S	S	*	*			trans	-102.8	134	167.1	173.3	0	0	0	0	107.2
453	L	30.9	Very low	33	Very low	155 Å²	155	134.9 Å²	134.9	81%	0.812	78%	0.778	S	S	*	*			trans	-163.8	162.1	160.1	-111.8	157.2	0	0	0	110.7
454	D	29.6	Very low	32.7	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	77%	0.774	S	S	*	*			trans	-82.3	168.3	-154.4	-63.7	-82.1	0	0	0	117.1
455	L	29.7	Very low	32.6	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	77%	0.774	S	S	*	*			trans	-59.8	154.1	170.3	-154.2	79.1	0	0	0	111.9
456	P	35.3	Very low	32.7	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	78%	0.782	S	S	*	*				-131.5	147.8	128.9	36.6	-29.7	0	0	0	114.2
457	T	29.1	Very low	32.6	Very low	130 Å²	130	137.9 Å²	137.9	80%	0.798	79%	0.785	S	S	*	*			trans	-77.8	144	173	-37.8	0	0	0	0	111.4
458	S	34.4	Very low	32.8	Very low	120 Å²	120	140.1 Å²	140.1	84%	0.839	79%	0.787	S	S	*	*			trans	162.1	146.9	135.6	-172.5	0	0	0	0	112.9
459	G	32.8	Very low	33	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	78%	0.784	S	S	*	*			trans	88.5	119.7	150	0	0	0	0	0	118.7
460	G	29.8	Very low	33.7	Very low	65 Å²	65	135 Å²	135	67%	0.67	76%	0.76	S	S	*	*			trans	-76	171	147.7	0	0	0	0	0	110.2
461	D	37.3	Very low	34.8	Very low	153 Å²	153	138.8 Å²	138.8	82%	0.818	77%	0.766	S	S	*	*				-161	170.9	50.9	-78.9	-28.3	0	0	0	113.1
462	N	37	Very low	35.4	Very low	134 Å²	134	133 Å²	133	72%	0.717	75%	0.75	S	S	*	*			trans	60.3	105	153.1	-71.2	-2.3	0	0	0	121.8
463	E	37	Very low	36.1	Very low	152 Å²	152	131 Å²	131	71%	0.71	73%	0.733	S	S	*	*				85.2	137.4	117	-73.9	-163.2	-171.8	0	0	123.1
464	N	34.7	Very low	36.8	Very low	130 Å²	130	128.4 Å²	128.4	70%	0.695	72%	0.719	S	S	*	*			trans	60.8	86.7	145.9	-56.1	-23.2	0	0	0	119.4
465	N	34.5	Very low	37.9	Very low	157 Å²	157	124.4 Å²	124.4	84%	0.84	71%	0.705	S	S	*	*			trans	-140.9	112.1	144.2	-98.2	-71.1	0	0	0	111.2	V467	N465-V467 PolarHBondContact O-N 2.64Å; N465-V467 VanDerWaalsContact O-N 3.09Å
466	E	33.4	Very low	38.7	Very low	196 Å²	196	122.7 Å²	122.7	92%	0.916	69%	0.693	S	S	*	*			trans	-71.5	97.7	175	-70.9	-169.9	118.1	0	0	111.5	K468	E466-K468 PolarHBondContact O-N 2.77Å; E466-K468 VanDerWaalsContact O-N 3.12Å
467	V	35.9	Very low	39	Very low	132 Å²	132	121.1 Å²	121.1	80%	0.8	68%	0.681	S	S	*	*			trans	-74.7	104.9	172.8	-178.2	0	0	0	0	109.9	N465 L469	N465-V467 PolarHBondContact O-N 2.64Å; N465-V467 VanDerWaalsContact O-N 3.09Å; V467-L469 PolarHBondContact O-N 2.79Å
468	K	39.1	Very low	40	Very low	201 Å²	201	121.8 Å²	121.8	87%	0.874	67%	0.673	S	S	*	*			trans	-56.5	101.2	175.8	-72.5	169.6	178.9	163.6	0	111.6	E466 S470	E466-K468 PolarHBondContact O-N 2.77Å; E466-K468 VanDerWaalsContact O-N 3.12Å; K468-S470 PolarHBondContact O-N 3.16Å
469	L	36.9	Very low	41	Very low	133 Å²	133	118.8 Å²	118.8	70%	0.696	65%	0.652	S	S	*	*			trans	-52.9	131.4	172.3	-87.2	150	0	0	0	111.2	V467 Q473	V467-L469 PolarHBondContact O-N 2.79Å; L469-Q473 HydrophobicContact CD2-CB 3.92Å; L469-Q473 HydrophobicContact CD2-CG 4.42Å
470	S	45.1	Very low	41.5	Very low	47 Å²	47	120.5 Å²	120.5	33%	0.329	64%	0.644	S	S	.	*			trans	-68.3	153	-174.4	65.6	0	0	0	0	112.2	K468 S472 Q473 L474	K468-S470 PolarHBondContact O-N 3.16Å; S470-S472 PolarHBondContact O-N 2.84Å; S470-S472 VanDerWaalsContact O-N 3.09Å; S470-S472 PolarHBondContact OG-OG 3.49Å; S470-Q473 VanDerWaalsContact N-OE1 3.12Å; S470-Q473 PolarHBondContact O-N 3.45Å; S470-Q473 WeakPolarHBondContact OG-CG 3.38Å; S470-Q473 PolarHBondContact OG-OE1 3.45Å; S470-L474 PolarHBondContact O-N 2.88Å
471	K	49.2	Very low	42.6	Very low	195 Å²	195	121.2 Å²	121.2	85%	0.848	64%	0.636	S	S	*	*	H	α-helix	trans	-57.5	-26.9	179.5	-77.4	-176.5	176.3	177.5	0	113.3	A475	K471-A475 PolarHBondContact O-N 2.93Å; K471-A475 VanDerWaalsContact O-N 3.16Å
472	S	44.6	Very low	43.1	Very low	77 Å²	77	115.3 Å²	115.3	54%	0.538	61%	0.611	S	S	.	*	H	α-helix	trans	-66.6	-49.2	171.9	30.8	0	0	0	0	112.4	S470 L474 A475 E476	S470-S472 PolarHBondContact O-N 2.84Å; S470-S472 VanDerWaalsContact O-N 3.09Å; S470-S472 PolarHBondContact OG-OG 3.49Å; S472-L474 VanDerWaalsContact C-N 3.3Å; S472-L474 PolarHBondContact O-N 3.38Å; S472-A475 WeakPolarHBondContact O-CA 3.48Å; S472-A475 WeakPolarHBondContact O-CB 3.29Å; S472-A475 PolarHBondContact O-N 3.42Å; S472-E476 PolarHBondContact O-N 3.39Å
473	Q	42.8	Very low	43.3	Very low	88 Å²	88	111.9 Å²	111.9	41%	0.411	60%	0.596	S	S	.	*	H	α-helix	trans	-64.8	-36.3	178.4	-69.2	163.6	-57.6	0	0	111.4	L469 S470 A475 E476 V477	L469-Q473 HydrophobicContact CD2-CB 3.92Å; L469-Q473 HydrophobicContact CD2-CG 4.42Å; S470-Q473 VanDerWaalsContact N-OE1 3.12Å; S470-Q473 PolarHBondContact O-N 3.45Å; S470-Q473 WeakPolarHBondContact OG-CG 3.38Å; S470-Q473 PolarHBondContact OG-OE1 3.45Å; Q473-A475 VanDerWaalsContact C-N 3.26Å; Q473-A475 PolarHBondContact O-N 3.04Å; Q473-E476 PolarHBondContact O-N 3.38Å; Q473-V477 WeakPolarHBondContact O-CG2 3.37Å; Q473-V477 PolarHBondContact O-N 3.19Å
474	L	45.3	Very low	44	Very low	100 Å²	100	111.6 Å²	111.6	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-65.8	-27.6	172.3	-167.2	68.5	0	0	0	112.7	S470 S472 K478	S470-L474 PolarHBondContact O-N 2.88Å; S472-L474 VanDerWaalsContact C-N 3.3Å; S472-L474 PolarHBondContact O-N 3.38Å; L474-K478 WeakPolarHBondContact O-CG 3.38Å; L474-K478 PolarHBondContact O-N 3.03Å
475	A	52.3	Low	45.1	Very low	57 Å²	57	108.8 Å²	108.8	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-76.6	-36.8	172.4	0	0	0	0	0	112.2	K471 S472 Q473 K478 S479	K471-A475 PolarHBondContact O-N 2.93Å; K471-A475 VanDerWaalsContact O-N 3.16Å; S472-A475 WeakPolarHBondContact O-CA 3.48Å; S472-A475 WeakPolarHBondContact O-CB 3.29Å; S472-A475 PolarHBondContact O-N 3.42Å; Q473-A475 VanDerWaalsContact C-N 3.26Å; Q473-A475 PolarHBondContact O-N 3.04Å; A475-K478 PolarHBondContact O-N 3.38Å; A475-S479 PolarHBondContact O-N 3.42Å
476	E	46.4	Very low	45.9	Very low	118 Å²	118	105.8 Å²	105.8	55%	0.551	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-46	173.9	-71.3	179.1	120.3	0	0	111.6	S472 Q473 K478 S479 L480	S472-E476 PolarHBondContact O-N 3.39Å; Q473-E476 PolarHBondContact O-N 3.38Å; E476-K478 VanDerWaalsContact C-N 3.27Å; E476-K478 PolarHBondContact O-N 2.96Å; E476-S479 WeakPolarHBondContact O-CA 3.14Å; E476-S479 WeakPolarHBondContact O-CB 3.41Å; E476-S479 PolarHBondContact O-N 3.08Å; E476-S479 PolarHBondContact O-OG 3.31Å; E476-L480 PolarHBondContact O-N 3.43Å
477	V	41.4	Very low	46.8	Very low	89 Å²	89	102.1 Å²	102.1	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-60.3	-35.9	174	172.9	0	0	0	0	111.9	Q473 L480 T481	Q473-V477 WeakPolarHBondContact O-CG2 3.37Å; Q473-V477 PolarHBondContact O-N 3.19Å; V477-L480 PolarHBondContact O-N 3.47Å; V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 2.73Å
478	K	50.1	Low	48.2	Very low	143 Å²	143	102.3 Å²	102.3	62%	0.622	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-37.1	171.5	-78.4	179.3	177.4	-173	0	113	L474 A475 E476 L480 T481 G482	L474-K478 WeakPolarHBondContact O-CG 3.38Å; L474-K478 PolarHBondContact O-N 3.03Å; A475-K478 PolarHBondContact O-N 3.38Å; E476-K478 VanDerWaalsContact C-N 3.27Å; E476-K478 PolarHBondContact O-N 2.96Å; K478-L480 VanDerWaalsContact C-N 3.34Å; K478-T481 WeakPolarHBondContact CA-OG1 3.49Å; K478-T481 PolarHBondContact O-OG1 3.45Å; K478-T481 VanDerWaalsContact O-OG1 3.1Å; K478-G482 PolarHBondContact O-N 2.96Å
479	S	55.7	Low	49	Very low	57 Å²	57	97 Å²	97	40%	0.399	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-37.6	173.7	83.3	0	0	0	0	112	A475 E476 G482 C483	A475-S479 PolarHBondContact O-N 3.42Å; E476-S479 WeakPolarHBondContact O-CA 3.14Å; E476-S479 WeakPolarHBondContact O-CB 3.41Å; E476-S479 PolarHBondContact O-N 3.08Å; E476-S479 PolarHBondContact O-OG 3.31Å; S479-G482 PolarHBondContact O-N 2.77Å; S479-C483 PolarHBondContact O-N 2.7Å
480	L	43.7	Very low	49.8	Very low	107 Å²	107	95.6 Å²	95.6	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-71.9	-35.7	180	-163.4	70.6	0	0	0	112.2	E476 V477 K478 C483 K484	E476-L480 PolarHBondContact O-N 3.43Å; V477-L480 PolarHBondContact O-N 3.47Å; K478-L480 VanDerWaalsContact C-N 3.34Å; L480-C483 PolarHBondContact O-N 2.85Å; L480-K484 PolarHBondContact O-N 2.84Å
481	T	52.2	Low	50.2	Low	80 Å²	80	98.7 Å²	98.7	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-68.2	-35.3	170	33.7	0	0	0	0	112.1	V477 K478 C483 K484 S485	V477-T481 PolarHBondContact O-N 3.42Å; V477-T481 PolarHBondContact O-OG1 2.73Å; K478-T481 WeakPolarHBondContact CA-OG1 3.49Å; K478-T481 PolarHBondContact O-OG1 3.45Å; K478-T481 VanDerWaalsContact O-OG1 3.1Å; T481-C483 VanDerWaalsContact C-N 3.34Å; T481-C483 PolarHBondContact O-N 2.86Å; T481-K484 PolarHBondContact O-N 2.95Å; T481-K484 VanDerWaalsContact O-N 3.16Å; T481-S485 PolarHBondContact O-N 3.31Å; T481-S485 PolarHBondContact O-OG 3.15Å
482	G	47.1	Very low	50.6	Low	29 Å²	29	93.8 Å²	93.8	30%	0.299	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-38.4	169.5	0	0	0	0	0	113.7	K478 S479 S485 L486	K478-G482 PolarHBondContact O-N 2.96Å; S479-G482 PolarHBondContact O-N 2.77Å; G482-S485 WeakPolarHBondContact CA-OG 3.39Å; G482-S485 PolarHBondContact O-N 3.49Å; G482-S485 PolarHBondContact O-OG 3.16Å; G482-L486 WeakPolarHBondContact O-CB 3.22Å; G482-L486 PolarHBondContact O-N 3.35Å
483	C	42.1	Very low	51	Low	61 Å²	61	93.6 Å²	93.6	41%	0.412	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-38	171.8	-69.1	0	0	0	0	112.5	S479 L480 T481 L487	S479-C483 PolarHBondContact O-N 2.7Å; L480-C483 PolarHBondContact O-N 2.85Å; T481-C483 VanDerWaalsContact C-N 3.34Å; T481-C483 PolarHBondContact O-N 2.86Å; C483-L487 WeakPolarHBondContact O-CB 3.45Å; C483-L487 PolarHBondContact O-N 3.22Å
484	K	51.4	Low	51.2	Low	146 Å²	146	93.6 Å²	93.6	64%	0.635	50%	0.496	S	S	*	.	H	α-helix	trans	-66.5	-39.1	173.8	-77	-171.8	173.9	-175.9	0	112.7	L480 T481 L487 K488	L480-K484 PolarHBondContact O-N 2.84Å; T481-K484 PolarHBondContact O-N 2.95Å; T481-K484 VanDerWaalsContact O-N 3.16Å; K484-L487 PolarHBondContact O-N 3.42Å; K484-K488 WeakPolarHBondContact O-CB 3.3Å; K484-K488 PolarHBondContact O-N 2.94Å
485	S	58.3	Low	51.4	Low	72 Å²	72	93.9 Å²	93.9	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-40.5	175.5	58.1	0	0	0	0	111.9	T481 G482 K488 E489	T481-S485 PolarHBondContact O-N 3.31Å; T481-S485 PolarHBondContact O-OG 3.15Å; G482-S485 WeakPolarHBondContact CA-OG 3.39Å; G482-S485 PolarHBondContact O-N 3.49Å; G482-S485 PolarHBondContact O-OG 3.16Å; S485-K488 PolarHBondContact O-N 2.91Å; S485-E489 VanDerWaalsContact O-CB 3.26Å; S485-E489 WeakPolarHBondContact O-CB 3.42Å; S485-E489 PolarHBondContact O-N 3.1Å
486	L	50.2	Low	51.1	Low	94 Å²	94	95.8 Å²	95.8	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-39.4	174.1	-84.5	165.7	0	0	0	112.6	G482 K490	G482-L486 WeakPolarHBondContact O-CB 3.22Å; G482-L486 PolarHBondContact O-N 3.35Å; L486-K490 WeakPolarHBondContact O-CB 3.4Å; L486-K490 VanDerWaalsContact O-CG 3.25Å; L486-K490 WeakPolarHBondContact O-CG 3.29Å; L486-K490 PolarHBondContact O-N 3.44Å
487	L	53	Low	50.9	Low	118 Å²	118	95.1 Å²	95.1	62%	0.618	50%	0.501	S	S	*	.	H	α-helix	trans	-61	-49.7	171.6	-91.6	163.6	0	0	0	110.7	C483 K484 E489 K490 E491	C483-L487 WeakPolarHBondContact O-CB 3.45Å; C483-L487 PolarHBondContact O-N 3.22Å; K484-L487 PolarHBondContact O-N 3.42Å; L487-E489 VanDerWaalsContact C-N 3.32Å; L487-E489 PolarHBondContact O-N 2.81Å; L487-K490 CarbonylContact O-C 3.54Å; L487-K490 PolarHBondContact O-N 3.39Å; L487-K490 VanDerWaalsContact O-N 3.11Å; L487-E491 VanDerWaalsContact O-CB 3.26Å; L487-E491 WeakPolarHBondContact O-CB 3.26Å; L487-E491 PolarHBondContact O-N 3.08Å
488	K	65.9	Low	50.9	Low	136 Å²	136	94 Å²	94	59%	0.591	50%	0.497	S	S	*	.	H	α-helix	trans	-67.2	-30.4	-178.6	-159	169.1	-168.8	-179.8	0	113.7	K484 S485 L492	K484-K488 WeakPolarHBondContact O-CB 3.3Å; K484-K488 PolarHBondContact O-N 2.94Å; S485-K488 PolarHBondContact O-N 2.91Å; K488-L492 WeakPolarHBondContact O-CB 3.37Å; K488-L492 WeakPolarHBondContact O-CG 3.45Å; K488-L492 PolarHBondContact O-N 2.87Å
489	E	55	Low	50.4	Low	91 Å²	91	93 Å²	93	43%	0.425	49%	0.493	S	S	.	.	H	α-helix	trans	-68.3	-39.7	171.2	-171.1	-155.3	124.5	0	0	111.3	S485 L487 I493	S485-E489 VanDerWaalsContact O-CB 3.26Å; S485-E489 WeakPolarHBondContact O-CB 3.42Å; S485-E489 PolarHBondContact O-N 3.1Å; L487-E489 VanDerWaalsContact C-N 3.32Å; L487-E489 PolarHBondContact O-N 2.81Å; E489-I493 HydrophobicContact CG-CD1 4.21Å; E489-I493 WeakPolarHBondContact O-CB 3.39Å; E489-I493 WeakPolarHBondContact O-CD1 3.39Å; E489-I493 VanDerWaalsContact O-CG1 3.23Å; E489-I493 WeakPolarHBondContact O-CG1 3.31Å; E489-I493 PolarHBondContact O-N 3.31Å
490	K	54.1	Low	49.7	Very low	103 Å²	103	94.9 Å²	94.9	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-79.3	-25	177	-62.4	-63.9	171.1	-117.9	0	113.2	L486 L487 I493 L494	L486-K490 WeakPolarHBondContact O-CB 3.4Å; L486-K490 VanDerWaalsContact O-CG 3.25Å; L486-K490 WeakPolarHBondContact O-CG 3.29Å; L486-K490 PolarHBondContact O-N 3.44Å; L487-K490 CarbonylContact O-C 3.54Å; L487-K490 PolarHBondContact O-N 3.39Å; L487-K490 VanDerWaalsContact O-N 3.11Å; K490-I493 HydrophobicContact CD-CD1 4.12Å; K490-L494 WeakPolarHBondContact O-CB 3.49Å; K490-L494 WeakPolarHBondContact O-CG 3.44Å; K490-L494 PolarHBondContact O-N 3.45Å
491	E	53.4	Low	49.2	Very low	112 Å²	112	94.4 Å²	94.4	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-51.6	167	-172.6	170.9	-132.5	0	0	109.7	L487 I493 L494 E495	L487-E491 VanDerWaalsContact O-CB 3.26Å; L487-E491 WeakPolarHBondContact O-CB 3.26Å; L487-E491 PolarHBondContact O-N 3.08Å; E491-I493 PolarHBondContact O-N 3.47Å; E491-L494 CarbonylContact O-C 3.5Å; E491-L494 WeakPolarHBondContact O-CA 3.36Å; E491-L494 WeakPolarHBondContact O-CB 3.48Å; E491-L494 PolarHBondContact O-N 2.94Å; E491-E495 PolarHBondContact O-N 3.43Å
492	L	57.3	Low	48.4	Very low	91 Å²	91	93.6 Å²	93.6	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-57.4	-43.7	171.2	-84.5	162.4	0	0	0	112.8	K488 L494 E495 D496	K488-L492 WeakPolarHBondContact O-CB 3.37Å; K488-L492 WeakPolarHBondContact O-CG 3.45Å; K488-L492 PolarHBondContact O-N 2.87Å; L492-L494 VanDerWaalsContact C-N 3.27Å; L492-L494 PolarHBondContact O-N 2.9Å; L492-E495 PolarHBondContact O-N 2.81Å; L492-D496 WeakPolarHBondContact O-CB 3.24Å; L492-D496 PolarHBondContact O-N 3.1Å
493	I	53.1	Low	47.7	Very low	73 Å²	73	97.1 Å²	97.1	37%	0.374	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-30.3	175.6	-71.6	162.3	0	0	0	111.6	E489 K490 E491 T497	E489-I493 HydrophobicContact CG-CD1 4.21Å; E489-I493 WeakPolarHBondContact O-CB 3.39Å; E489-I493 WeakPolarHBondContact O-CD1 3.39Å; E489-I493 VanDerWaalsContact O-CG1 3.23Å; E489-I493 WeakPolarHBondContact O-CG1 3.31Å; E489-I493 PolarHBondContact O-N 3.31Å; K490-I493 HydrophobicContact CD-CD1 4.12Å; E491-I493 PolarHBondContact O-N 3.47Å; I493-T497 WeakPolarHBondContact O-CB 3.41Å; I493-T497 VanDerWaalsContact O-CG2 3.32Å; I493-T497 WeakPolarHBondContact O-CG2 3.49Å; I493-T497 PolarHBondContact O-N 3.2Å; I493-T497 PolarHBondContact O-OG1 3.42Å
494	L	46.8	Very low	47.4	Very low	89 Å²	89	98.9 Å²	98.9	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-74.6	-38.5	172.3	-86.9	164	0	0	0	112	K490 E491 L492 S498	K490-L494 WeakPolarHBondContact O-CB 3.49Å; K490-L494 WeakPolarHBondContact O-CG 3.44Å; K490-L494 PolarHBondContact O-N 3.45Å; E491-L494 CarbonylContact O-C 3.5Å; E491-L494 WeakPolarHBondContact O-CA 3.36Å; E491-L494 WeakPolarHBondContact O-CB 3.48Å; E491-L494 PolarHBondContact O-N 2.94Å; L492-L494 VanDerWaalsContact C-N 3.27Å; L492-L494 PolarHBondContact O-N 2.9Å; L494-S498 WeakPolarHBondContact O-CB 3.33Å; L494-S498 PolarHBondContact O-N 2.9Å; L494-S498 PolarHBondContact O-OG 2.97Å
495	E	50.3	Low	46.8	Very low	105 Å²	105	97.5 Å²	97.5	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-47	173.3	-71.5	-172.3	131.8	0	0	110.8	E491 L492 S498 F499	E491-E495 PolarHBondContact O-N 3.43Å; L492-E495 PolarHBondContact O-N 2.81Å; E495-S498 PolarHBondContact O-N 2.7Å; E495-F499 HydrophobicContact CB-CD2 4.43Å; E495-F499 WeakPolarHBondContact O-CA 3.48Å; E495-F499 WeakPolarHBondContact O-CB 3.24Å; E495-F499 PolarHBondContact O-N 2.98Å
496	D	44.8	Very low	45.8	Very low	98 Å²	98	100.9 Å²	100.9	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-48.7	173.6	-80.7	-32.1	0	0	0	111.4	L492 S498 S500	L492-D496 WeakPolarHBondContact O-CB 3.24Å; L492-D496 PolarHBondContact O-N 3.1Å; D496-S498 VanDerWaalsContact C-N 3.32Å; D496-S498 PolarHBondContact O-N 3.34Å; D496-S500 WeakPolarHBondContact O-CA 3.43Å; D496-S500 WeakPolarHBondContact O-CB 3.31Å; D496-S500 PolarHBondContact O-N 3.03Å
497	T	43.5	Very low	45	Very low	104 Å²	104	102.2 Å²	102.2	64%	0.638	54%	0.538	S	S	*	.	H	α-helix	trans	-73.3	-19.6	-179.1	53.5	0	0	0	0	114.4	I493	I493-T497 WeakPolarHBondContact O-CB 3.41Å; I493-T497 VanDerWaalsContact O-CG2 3.32Å; I493-T497 WeakPolarHBondContact O-CG2 3.49Å; I493-T497 PolarHBondContact O-N 3.2Å; I493-T497 PolarHBondContact O-OG1 3.42Å
498	S	41.4	Very low	44.3	Very low	65 Å²	65	103.8 Å²	103.8	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-97.1	-30.8	178.5	-51.7	0	0	0	0	113.7	L494 E495 D496	L494-S498 WeakPolarHBondContact O-CB 3.33Å; L494-S498 PolarHBondContact O-N 2.9Å; L494-S498 PolarHBondContact O-OG 2.97Å; E495-S498 PolarHBondContact O-N 2.7Å; D496-S498 VanDerWaalsContact C-N 3.32Å; D496-S498 PolarHBondContact O-N 3.34Å
499	F	39.5	Very low	42.9	Very low	123 Å²	123	103.1 Å²	103.1	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-118.1	-15.9	-173.2	-62.2	-82	0	0	0	114.9	E495 S501 C502	E495-F499 HydrophobicContact CB-CD2 4.43Å; E495-F499 WeakPolarHBondContact O-CA 3.48Å; E495-F499 WeakPolarHBondContact O-CB 3.24Å; E495-F499 PolarHBondContact O-N 2.98Å; F499-S501 PolarHBondContact O-N 3.49Å; F499-S501 VanDerWaalsContact O-N 3.09Å; F499-C502 PolarHBondContact O-N 2.91Å
500	S	40.2	Very low	41.8	Very low	95 Å²	95	105.2 Å²	105.2	66%	0.664	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-15.7	176.1	-165.4	0	0	0	0	113.3	D496	D496-S500 WeakPolarHBondContact O-CA 3.43Å; D496-S500 WeakPolarHBondContact O-CB 3.31Å; D496-S500 PolarHBondContact O-N 3.03Å
501	S	34.6	Very low	40.6	Very low	98 Å²	98	107.1 Å²	107.1	69%	0.685	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-13	169.6	61.5	0	0	0	0	114.3	F499	F499-S501 PolarHBondContact O-N 3.49Å; F499-S501 VanDerWaalsContact O-N 3.09Å
502	C	34.4	Very low	39.6	Very low	63 Å²	63	109.9 Å²	109.9	43%	0.426	58%	0.58	S	S	.	*			trans	-115.2	103.6	-170.1	-69.9	0	0	0	0	112.2	F499 L504	F499-C502 PolarHBondContact O-N 2.91Å; C502-L504 HydrophobicContact CB-CD1 4.2Å; C502-L504 PolarHBondContact O-N 2.92Å
503	N	32	Very low	38.4	Very low	102 Å²	102	110.9 Å²	110.9	55%	0.545	59%	0.59	S	S	.	*			trans	-71.2	64.7	168.9	-90.1	-129.4	0	0	0	111.1	D505 K506	N503-D505 PolarHBondContact O-N 3.1Å; N503-K506 HydrophobicContact CB-CD 4.18Å; N503-K506 HydrophobicContact CB-CG 4.43Å; N503-K506 PolarHBondContact O-N 3.45Å; N503-K506 WeakPolarHBondContact OD1-CE 3.13Å; N503-K506 PolarHBondContact OD1-NZ 3.16Å
504	L	37.1	Very low	37.1	Very low	98 Å²	98	113.4 Å²	113.4	51%	0.513	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-63.1	-28.5	-172.8	-133.9	74.9	0	0	0	113.1	C502 K506 L507	C502-L504 HydrophobicContact CB-CD1 4.2Å; C502-L504 PolarHBondContact O-N 2.92Å; L504-K506 PolarHBondContact O-N 3.29Å; L504-L507 PolarHBondContact O-N 3.14Å; L504-L507 VanDerWaalsContact O-N 3.13Å
505	D	37.2	Very low	36.6	Very low	117 Å²	117	113.7 Å²	113.7	63%	0.626	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-71.6	-11.6	176.5	-66.3	-47	0	0	0	114.4	N503 K508	N503-D505 PolarHBondContact O-N 3.1Å; D505-K508 IonicContact OD1-NZ 2.66Å; D505-K508 PolarHBondContact OD1-NZ 2.95Å
506	K	38.7	Very low	35.7	Very low	143 Å²	143	116.2 Å²	116.2	62%	0.622	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-84	-15.5	170.1	-69.1	-179.1	179.8	154.7	0	113.2	N503 L504	N503-K506 HydrophobicContact CB-CD 4.18Å; N503-K506 HydrophobicContact CB-CG 4.43Å; N503-K506 PolarHBondContact O-N 3.45Å; N503-K506 WeakPolarHBondContact OD1-CE 3.13Å; N503-K506 PolarHBondContact OD1-NZ 3.16Å; L504-K506 PolarHBondContact O-N 3.29Å
507	L	33.3	Very low	35.3	Very low	122 Å²	122	116.4 Å²	116.4	64%	0.639	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-83.7	-17.1	177.1	-88.9	160.2	0	0	0	113.7	L504 I509	L504-L507 PolarHBondContact O-N 3.14Å; L504-L507 VanDerWaalsContact O-N 3.13Å; L507-I509 PolarHBondContact O-N 3.24Å
508	K	38.2	Very low	35	Very low	151 Å²	151	120.5 Å²	120.5	66%	0.657	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-74.3	-2.1	174.1	-68.3	173	-173.1	152	0	114.3	D505	D505-K508 IonicContact OD1-NZ 2.66Å; D505-K508 PolarHBondContact OD1-NZ 2.95Å
509	I	36.4	Very low	34.8	Very low	123 Å²	123	125.9 Å²	125.9	63%	0.631	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-99.9	-11	-175.4	-61.8	177.9	0	0	0	112.3	L507 N511	L507-I509 PolarHBondContact O-N 3.24Å; I509-N511 PolarHBondContact O-N 3.5Å
510	L	30.9	Very low	34.4	Very low	135 Å²	135	124.1 Å²	124.1	71%	0.707	70%	0.699	S	S	*	*			trans	-81.5	51.1	175.9	-75.7	171.5	0	0	0	113.3
511	N	29	Very low	34.1	Very low	142 Å²	142	123.4 Å²	123.4	76%	0.759	71%	0.706	S	S	*	*			trans	-93.2	84.8	164.1	-94.1	-30.4	0	0	0	109.4	I509	I509-N511 PolarHBondContact O-N 3.5Å
512	F	33.5	Very low	34.1	Very low	170 Å²	170	128.5 Å²	128.5	75%	0.746	72%	0.716	S	S	*	*			trans	-125.8	76.9	171.5	-79.6	-74	0	0	0	111.8
513	T	30.9	Very low	34.2	Very low	112 Å²	112	133.4 Å²	133.4	69%	0.687	74%	0.738	S	S	*	*			trans	24.2	115.6	139	53.2	0	0	0	0	118.5	S515	T513-S515 PolarHBondContact O-N 2.87Å
514	S	26.6	Very low	34.2	Very low	127 Å²	127	137 Å²	137	89%	0.888	75%	0.752	S	S	*	*			trans	-66.6	110.7	163.3	54.2	0	0	0	0	112.6
515	S	35.4	Very low	34	Very low	95 Å²	95	140.4 Å²	140.4	66%	0.664	77%	0.768	S	S	*	*			trans	-172.1	137	170.2	53.4	0	0	0	0	109.8	T513	T513-S515 PolarHBondContact O-N 2.87Å
516	N	32	Very low	33.8	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	77%	0.768	S	S	*	*			cis	-148.5	-163.3	-7	-135.8	-1.1	0	0	0	109.1
517	P	37.6	Very low	33.3	Very low	103 Å²	103	142.4 Å²	142.4	67%	0.669	77%	0.774	S	S	*	*			trans	-104.2	167.9	-147.5	43	-37.1	0	0	0	114.9
518	E	35.9	Very low	33.3	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	78%	0.779	S	S	*	*			trans	-163.6	159.2	132.6	-115.8	169.3	-147.8	0	0	112.4
519	L	38.3	Very low	33	Very low	177 Å²	177	144.9 Å²	144.9	93%	0.927	79%	0.786	S	S	*	*			trans	87.8	106.7	-175	-58.6	173	0	0	0	116.3
520	G	31.2	Very low	33	Very low	87 Å²	87	147.2 Å²	147.2	90%	0.897	79%	0.794	S	S	*	*			trans	-96	135.1	-177	0	0	0	0	0	114
521	G	33.8	Very low	33.1	Very low	79 Å²	79	147.6 Å²	147.6	81%	0.814	80%	0.797	S	S	*	*			trans	-137.3	100.4	166.9	0	0	0	0	0	109.6	N523	G521-N523 PolarHBondContact O-N 2.94Å
522	K	34.8	Very low	33.1	Very low	206 Å²	206	147.6 Å²	147.6	90%	0.896	80%	0.801	S	S	*	*			trans	-72.8	125.2	177.6	-64.1	179.1	-179.5	-179.3	0	109.7
523	N	35.2	Very low	33.2	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	80%	0.797	S	S	*	*			trans	-158.8	118.1	146.3	-96.2	-28.5	0	0	0	108.8	G521	G521-N523 PolarHBondContact O-N 2.94Å
524	E	31.8	Very low	33.3	Very low	178 Å²	178	146 Å²	146	83%	0.832	80%	0.801	S	S	*	*			trans	-115	115	-175.8	179.6	174.6	-153.2	0	0	107.4
525	I	34.4	Very low	33.7	Very low	168 Å²	168	146.4 Å²	146.4	86%	0.862	79%	0.793	S	S	*	*			trans	-131.4	132.4	173.8	-60.7	-178.1	0	0	0	107
526	H	32	Very low	33.6	Very low	132 Å²	132	148.9 Å²	148.9	61%	0.611	80%	0.798	S	S	*	*			trans	-129	143.3	-161.9	-155.4	-45.3	0	0	0	110.2
527	F	28.5	Very low	33.7	Very low	170 Å²	170	149 Å²	149	75%	0.746	79%	0.791	S	S	*	*			trans	68.7	160	178.2	-61.8	-63.8	0	0	0	114.8
528	D	32.4	Very low	33.6	Very low	142 Å²	142	150.1 Å²	150.1	76%	0.759	79%	0.787	S	S	*	*			cis	-140.2	166.5	14.8	-145.2	-15.1	0	0	0	115.2
529	K	32.2	Very low	33.4	Very low	183 Å²	183	142.8 Å²	142.8	80%	0.796	76%	0.757	S	S	*	*			trans	-96.1	131.6	173.2	-67.6	174.1	177.5	174.3	0	110.1
530	H	36.3	Very low	33.3	Very low	172 Å²	172	137.8 Å²	137.8	80%	0.796	74%	0.737	S	S	*	*			trans	-157.4	150.1	151.2	-111.5	-77.1	0	0	0	113.9
531	N	33.4	Very low	33.5	Very low	144 Å²	144	138.1 Å²	138.1	77%	0.77	72%	0.717	S	S	*	*			trans	73.8	111.3	159.8	-59.6	-4.1	0	0	0	120.4
532	V	29.9	Very low	33.7	Very low	141 Å²	141	139.4 Å²	139.4	86%	0.855	70%	0.697	S	S	*	*			trans	-135.4	156.6	164.3	163.7	0	0	0	0	104.2
533	P	35.4	Very low	33.7	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	69%	0.691	S	S	*	*			cis	-122.2	-172.1	-1.9	31.5	-11.2	0	0	0	113.3
534	L	32.2	Very low	33.7	Very low	147 Å²	147	133.7 Å²	133.7	77%	0.77	68%	0.683	S	S	*	*				173.6	146.7	112.3	-94.3	173.9	0	0	0	115.9
535	L	34.5	Very low	33.9	Very low	137 Å²	137	134.4 Å²	134.4	72%	0.717	69%	0.686	S	S	*	*			trans	75.9	121.2	154.8	-63.7	161	0	0	0	122.5
536	L	34	Very low	34.1	Very low	146 Å²	146	135.9 Å²	135.9	76%	0.764	69%	0.687	S	S	*	*			trans	66.3	128.3	132	-62.4	-179.8	0	0	0	119.7
537	K	33.2	Very low	34.4	Very low	160 Å²	160	136.6 Å²	136.6	70%	0.696	70%	0.695	S	S	*	*			cis	58.7	122.1	14.8	-93.9	-179	161	-93.8	0	113.9
538	E	35.5	Very low	34.9	Very low	126 Å²	126	136.6 Å²	136.6	59%	0.589	70%	0.695	S	S	*	*			cis	-149.3	169.8	11.6	-88.7	114.1	171.3	0	0	111.8	F351	F351-E538 HydrophobicContact CE2-CB 3.95Å; F351-E538 HydrophobicContact CE2-CG 3.85Å; F351-E538 HydrophobicContact CZ-CB 3.78Å; F351-E538 HydrophobicContact CZ-CG 3.51Å
539	S	32.3	Very low	35.3	Very low	36 Å²	36	134.5 Å²	134.5	25%	0.252	69%	0.687	S	S	.	*			trans	-83.4	174.1	159.5	34.1	0	0	0	0	111.5	E350 F351	E350-S539 PolarHBondContact O-OG 3.31Å; E350-S539 WeakPolarHBondContact OE1-CB 3.35Å; F351-S539 WeakPolarHBondContact CE2-O 3.49Å; F351-S539 VanDerWaalsContact CE2-OG 3.26Å; F351-S539 WeakPolarHBondContact CE2-OG 3.47Å; F351-S539 WeakPolarHBondContact CZ-OG 3.27Å
540	S	35.5	Very low	35.6	Very low	73 Å²	73	132.8 Å²	132.8	51%	0.51	69%	0.686	S	S	.	*			cis	-172.8	-139.9	-26	-77.7	0	0	0	0	105.2	E350	E350-S540 VanDerWaalsContact CD-OG 3.25Å; E350-S540 WeakPolarHBondContact OE1-CB 3.3Å; E350-S540 PolarHBondContact OE1-OG 2.92Å; E350-S540 WeakPolarHBondContact OE2-CB 3.29Å; E350-S540 PolarHBondContact OE2-OG 3.49Å
541	I	35.6	Very low	35.8	Very low	93 Å²	93	131 Å²	131	48%	0.477	69%	0.693	S	S	.	*			cis	-134.5	-108.2	-19.6	-173	-173.4	0	0	0	110.1	E350	E350-I541 HydrophobicContact CB-CB 3.87Å; E350-I541 HydrophobicContact CB-CG2 3.74Å; E350-I541 HydrophobicContact CG-CB 4.07Å; E350-I541 HydrophobicContact CG-CD1 4.09Å; E350-I541 HydrophobicContact CG-CG1 4.42Å; E350-I541 HydrophobicContact CG-CG2 4.27Å; E350-I541 WeakPolarHBondContact OE2-CB 3.17Å; E350-I541 WeakPolarHBondContact OE2-CD1 3.48Å; E350-I541 WeakPolarHBondContact OE2-CG1 3.42Å
542	R	37.8	Very low	36	Very low	107 Å²	107	129.5 Å²	129.5	40%	0.404	69%	0.694	S	S	.	*			trans	-157.1	167.5	-168.4	-62.1	-177	165.3	150.9	-8.5	105.8	N123 T127	N123-R542 PolarHBondContact O-NH2 3.38Å; T127-R542 PolarHBondContact OG1-NH1 3.16Å; T127-R542 PolarHBondContact OG1-NH2 2.98Å
543	I	35.5	Very low	36.5	Very low	147 Å²	147	128.2 Å²	128.2	75%	0.754	69%	0.691	S	S	*	*				-162.1	143.7	86.8	-87.5	159.2	0	0	0	107.4
544	S	34.5	Very low	36.7	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	70%	0.699	S	S	*	*			trans	-85.2	156.1	-177.5	59.6	0	0	0	0	113.6
545	Q	37.2	Very low	37.2	Very low	194 Å²	194	128.9 Å²	128.9	91%	0.907	70%	0.699	S	S	*	*			trans	-123.2	105.3	155.2	-81.3	-156.8	-12.2	0	0	114.5
546	K	38.3	Very low	37.6	Very low	199 Å²	199	126.6 Å²	126.6	87%	0.865	70%	0.695	S	S	*	*			trans	-25.7	130.1	156.4	-167.1	174.6	-168.9	169.4	0	117
547	N	38.9	Very low	38.1	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	70%	0.696	S	S	*	*			trans	-163.4	150.9	160.4	-94.6	-42.5	0	0	0	108
548	K	39.2	Very low	38.6	Very low	171 Å²	171	127.1 Å²	127.1	74%	0.743	70%	0.7	S	S	*	*			cis	-166.7	141.6	-23.6	-152.5	-171.4	174.1	-174.8	0	109.3
549	T	40.1	Very low	39	Very low	98 Å²	98	125.3 Å²	125.3	60%	0.601	70%	0.701	S	S	*	*			trans	31.4	116.6	155.4	53.2	0	0	0	0	121.5
550	D	38.4	Very low	39.6	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	73%	0.73	S	S	*	*				42.4	126	116.3	-36.6	-44.4	0	0	0	121.5
551	S	41	Very low	40.1	Very low	134 Å²	134	138.4 Å²	138.4	94%	0.937	75%	0.747	S	S	*	*				-166.6	153.7	125.7	15	0	0	0	0	112
552	S	36.5	Very low	40.5	Very low	113 Å²	113	139 Å²	139	79%	0.79	76%	0.759	S	S	*	*			trans	-131.3	135.5	-173	58.1	0	0	0	0	112.2
553	S	41.7	Very low	41.2	Very low	114 Å²	114	138 Å²	138	80%	0.797	77%	0.767	S	S	*	*			trans	-171.9	112.3	149.6	52.6	0	0	0	0	114.1
554	N	39.6	Very low	42	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	77%	0.771	S	S	*	*			trans	24.3	152.3	137.2	-58	-4.5	0	0	0	123.6
555	S	42	Very low	42.6	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	80%	0.797	S	S	*	*			trans	70.4	148.2	148.6	57.6	0	0	0	0	119.4
556	S	43.6	Very low	42.9	Very low	89 Å²	89	145.3 Å²	145.3	62%	0.622	79%	0.792	S	S	*	*			cis	-170	143.9	-25.1	50.1	0	0	0	0	108.7
557	D	43.5	Very low	43.2	Very low	148 Å²	148	142.5 Å²	142.5	79%	0.791	79%	0.788	S	S	*	*			trans	60.8	172.3	167.5	-44.2	-49	0	0	0	114.6
558	E	45	Very low	43.4	Very low	168 Å²	168	142.3 Å²	142.3	79%	0.785	79%	0.788	S	S	*	*			cis	-147.4	162.9	-4.7	-151.4	175.6	174.8	0	0	110.6
559	S	44	Very low	43.7	Very low	88 Å²	88	140.6 Å²	140.6	62%	0.615	79%	0.791	S	S	*	*			trans	45.9	113.5	152.3	62.4	0	0	0	0	121.6
560	L	44.6	Very low	43.9	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	80%	0.803	S	S	*	*				35.2	114.7	119.3	-57.8	167.8	0	0	0	119
561	Y	46.4	Very low	44.2	Very low	224 Å²	224	143.1 Å²	143.1	88%	0.878	80%	0.804	S	S	*	*				-166.6	143	107.4	-121	-88.8	0	0	0	112.3
562	S	43.3	Very low	44.5	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	80%	0.795	S	S	*	*			trans	-138.2	142.8	160	-175.6	0	0	0	0	105.7
563	P	53	Low	45.1	Very low	88 Å²	88	146.1 Å²	146.1	57%	0.571	80%	0.795	S	S	*	*				-155.2	175.1	102.8	41.3	-23.7	0	0	0	116.3
564	Y	51	Low	45.4	Very low	214 Å²	214	148.8 Å²	148.8	84%	0.839	80%	0.795	S	S	*	*			trans	60.6	94	159.8	-63.4	-62.5	0	0	0	119.5
565	N	48.5	Very low	45.9	Very low	238 Å²	238	148.5 Å²	148.5	100%	1.273	79%	0.794	S	S	*	*				-144	0	94.5	-109.3	-15.9	0	0	0	110.1

Retrieved 565 of 565 residues in 461.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).