A0A087XBU6_POEFO Loading...

Myotubularin related protein 10

AlphaFold DB , UniProt , Accession A0A087XBU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 764 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	35.6	Very low	229 Å²	229	159.9 Å²	159.9	100%	1.128	86%	0.856	S	S	*	*				0	116.6	0	-70.1	-176.5	-163	0	0	106.8
2	F	32.3	Very low	35.5	Very low	193 Å²	193	160.8 Å²	160.8	85%	0.846	85%	0.847	S	S	*	*			cis	-144.3	148.1	2.3	-92.7	-90.5	0	0	0	109.6
3	S	31.1	Very low	35.5	Very low	104 Å²	104	156.2 Å²	156.2	73%	0.727	83%	0.834	S	S	*	*			trans	-45.6	128.1	161.3	150.5	0	0	0	0	114
4	G	34.4	Very low	35.7	Very low	76 Å²	76	159.5 Å²	159.5	78%	0.784	83%	0.831	S	S	*	*			trans	-109.1	108.8	160.9	0	0	0	0	0	111
5	K	34.8	Very low	35.7	Very low	187 Å²	187	158.2 Å²	158.2	81%	0.813	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-64.5	141.6	177.7	-69.6	174.1	177	173.7	0	111.3
6	P	36.4	Very low	35.5	Very low	125 Å²	125	155.4 Å²	155.4	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.3	140.6	171.9	28.1	-31	0	0	0	111.7
7	M	36.8	Very low	35.3	Very low	185 Å²	185	153.6 Å²	153.6	91%	0.911	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62.7	136	178.7	-73.3	172.4	69.6	0	0	111.5
8	K	35.3	Very low	35.2	Very low	194 Å²	194	149.7 Å²	149.7	84%	0.843	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.8	132.8	172.9	-73.2	179.5	176.3	178.9	0	110.1	T10	K8-T10 PolarHBondContact O-N 3.22Å
9	P	41.2	Very low	35.2	Very low	128 Å²	128	151.6 Å²	151.6	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.5	123	170.7	26.7	-29.9	0	0	0	110.9	F11	P9-F11 PolarHBondContact O-N 2.77Å
10	T	40.2	Very low	35.1	Very low	138 Å²	138	150.8 Å²	150.8	85%	0.847	81%	0.81	S	S	*	*			trans	-82.8	84.7	169.6	33.1	0	0	0	0	110.1	K8	K8-T10 PolarHBondContact O-N 3.22Å
11	F	35.7	Very low	35	Very low	200 Å²	200	151.1 Å²	151.1	88%	0.877	81%	0.812	S	S	*	*			trans	-162.3	117.6	151.6	-133.8	-97.6	0	0	0	109.7	P9	P9-F11 PolarHBondContact O-N 2.77Å
12	K	34.8	Very low	35	Very low	170 Å²	170	145.3 Å²	145.3	74%	0.739	79%	0.789	S	S	*	*			trans	-98.6	112.4	172.5	-92	-177	174.1	-178.7	0	108.6	Y14	K12-Y14 HydrophobicContact CB-CE2 4.37Å
13	C	35.6	Very low	35.1	Very low	101 Å²	101	144.9 Å²	144.9	68%	0.682	79%	0.786	S	S	*	*			trans	-78.7	128.5	165.9	-175.7	0	0	0	0	109.1
14	Y	38	Very low	35.3	Very low	203 Å²	203	146.1 Å²	146.1	80%	0.796	79%	0.785	S	S	*	*			trans	-97.2	41.1	-179.7	-75	-82.9	0	0	0	112.8	K12	K12-Y14 HydrophobicContact CB-CE2 4.37Å
15	L	35	Very low	35.1	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	78%	0.784	S	S	*	*	S	Bend	trans	-115.2	130.5	172.8	-68.1	171.1	0	0	0	109.7
16	P	33.8	Very low	35.3	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.5	144.7	-179.9	26.5	-31.6	0	0	0	110.5	A18	P16-A18 PolarHBondContact O-N 2.92Å
17	P	32.1	Very low	35.3	Very low	124 Å²	124	148.9 Å²	148.9	81%	0.805	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70	116.5	-175.7	27	-31.3	0	0	0	110.2	Q19	P17-Q19 PolarHBondContact O-N 3.47Å
18	A	33.6	Very low	35.3	Very low	84 Å²	84	145 Å²	145	69%	0.694	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66.3	118.3	160.3	0	0	0	0	0	107.7	P16 N20	P16-A18 PolarHBondContact O-N 2.92Å; A18-N20 VanDerWaalsContact C-N 3.33Å; A18-N20 PolarHBondContact O-N 3.18Å
19	Q	34.4	Very low	35.8	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	76%	0.763	S	S	*	*			trans	-60.3	96.5	167.9	-80.3	175.1	-29.6	0	0	108.7	P17	P17-Q19 PolarHBondContact O-N 3.47Å
20	N	33.1	Very low	36.2	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	76%	0.756	S	S	*	*			trans	-100.8	94.7	160	-78.7	-15.5	0	0	0	106.8	A18 V22	A18-N20 VanDerWaalsContact C-N 3.33Å; A18-N20 PolarHBondContact O-N 3.18Å; N20-V22 HydrophobicContact CB-CG2 4.25Å; N20-V22 PolarHBondContact O-N 2.94Å
21	D	32.4	Very low	36.9	Very low	158 Å²	158	141.9 Å²	141.9	85%	0.845	75%	0.749	S	S	*	*			trans	-61.8	81.9	158.7	-82.8	-36.1	0	0	0	108.2	K23	D21-K23 PolarHBondContact O-N 3.12Å
22	V	34.5	Very low	38.5	Very low	106 Å²	106	135.4 Å²	135.4	64%	0.642	72%	0.723	S	S	*	*			trans	-75.6	87.3	163.9	-175.4	0	0	0	0	105.9	N20 N24	N20-V22 HydrophobicContact CB-CG2 4.25Å; N20-V22 PolarHBondContact O-N 2.94Å; V22-N24 VanDerWaalsContact C-N 3.28Å; V22-N24 PolarHBondContact O-N 3.34Å
23	K	34.7	Very low	40.3	Very low	184 Å²	184	133.1 Å²	133.1	80%	0.8	72%	0.715	S	S	*	*			trans	-54.5	104.7	151.9	-84.9	-179.2	175.8	176.4	0	106	D21 N25	D21-K23 PolarHBondContact O-N 3.12Å; K23-N25 PolarHBondContact O-N 3.02Å
24	N	33.6	Very low	42.2	Very low	130 Å²	130	130.2 Å²	130.2	70%	0.695	70%	0.695	S	S	*	*			trans	-61.9	82.4	163.3	-79.1	-19.6	0	0	0	107.4	V22 I26	V22-N24 VanDerWaalsContact C-N 3.28Å; V22-N24 PolarHBondContact O-N 3.34Å; N24-I26 HydrophobicContact CB-CG1 4.33Å; N24-I26 PolarHBondContact O-N 3Å
25	N	31.6	Very low	44.4	Very low	142 Å²	142	129.1 Å²	129.1	76%	0.759	70%	0.695	S	S	*	*			trans	-67.4	82.7	155.6	-85.1	-3.8	0	0	0	105.6	K23 E27	K23-N25 PolarHBondContact O-N 3.02Å; N25-E27 PolarHBondContact O-N 2.95Å
26	I	38.1	Very low	47.1	Very low	145 Å²	145	126.2 Å²	126.2	74%	0.744	68%	0.676	S	S	*	*			trans	-65.2	94.6	159.3	-59.5	172.9	0	0	0	103.6	N24	N24-I26 HydrophobicContact CB-CG1 4.33Å; N24-I26 PolarHBondContact O-N 3Å
27	E	36.8	Very low	49.8	Very low	160 Å²	160	122 Å²	122	75%	0.748	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-51.4	129.4	164.2	-80.1	-177	163.8	0	0	106.6	N25	N25-E27 PolarHBondContact O-N 2.95Å
28	P	36.7	Very low	52.5	Low	102 Å²	102	118.3 Å²	118.3	66%	0.662	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-55.2	145.2	178	23.2	-32	0	0	0	109	V30	P28-V30 PolarHBondContact O-N 3.47Å
29	P	44.9	Very low	55.1	Low	123 Å²	123	115.4 Å²	115.4	80%	0.799	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.5	122.3	177.9	20.8	-31.2	0	0	0	108.7	K31	P29-K31 PolarHBondContact O-N 3.39Å
30	V	50.5	Low	57.9	Low	112 Å²	112	107.4 Å²	107.4	68%	0.679	56%	0.564	S	S	*	*			trans	-60.6	105.3	-179.8	178.7	0	0	0	0	107.4	P28 L32	P28-V30 PolarHBondContact O-N 3.47Å; V30-L32 PolarHBondContact O-N 2.65Å; V30-L32 VanDerWaalsContact O-N 3.11Å
31	K	54.3	Low	60.8	Low	160 Å²	160	105.6 Å²	105.6	70%	0.696	55%	0.554	S	S	*	*			trans	-68.3	111.3	175.6	-164.1	178.9	173.4	-146	0	107.5	P29 E33	P29-K31 PolarHBondContact O-N 3.39Å; K31-E33 HydrophobicContact CB-CG 4.5Å; K31-E33 HydrophobicContact CD-CG 4.29Å; K31-E33 WeakPolarHBondContact CD-OE1 3.22Å; K31-E33 WeakPolarHBondContact CE-OE1 3.34Å; K31-E33 HydrophobicContact CG-CG 4.12Å; K31-E33 IonicContact NZ-OE1 2.69Å; K31-E33 PolarHBondContact NZ-OE1 3.49Å; K31-E33 PolarHBondContact O-N 3.35Å
32	L	71	Confident	63.8	Low	64 Å²	64	101.8 Å²	101.8	34%	0.335	53%	0.532	S	S	.	.			trans	-72.7	94.7	176.6	-68	165.2	0	0	0	108.1	V30 I77 P78 P81	V30-L32 PolarHBondContact O-N 2.65Å; V30-L32 VanDerWaalsContact O-N 3.11Å; L32-I77 HydrophobicContact CB-CG2 3.85Å; L32-P78 HydrophobicContact CD1-CG 4.27Å; L32-P78 WeakPolarHBondContact CD1-O 3.38Å; L32-P81 HydrophobicContact CD1-CB 4.49Å
33	E	72.2	Confident	66.7	Low	122 Å²	122	98.7 Å²	98.7	57%	0.57	51%	0.513	S	S	*	.			trans	-92.9	138.8	177.6	-64.8	-162.7	158.8	0	0	111.1	K31	K31-E33 HydrophobicContact CB-CG 4.5Å; K31-E33 HydrophobicContact CD-CG 4.29Å; K31-E33 WeakPolarHBondContact CD-OE1 3.22Å; K31-E33 WeakPolarHBondContact CE-OE1 3.34Å; K31-E33 HydrophobicContact CG-CG 4.12Å; K31-E33 IonicContact NZ-OE1 2.69Å; K31-E33 PolarHBondContact NZ-OE1 3.49Å; K31-E33 PolarHBondContact O-N 3.35Å
34	P	75.9	Confident	69.7	Low	41 Å²	41	91.7 Å²	91.7	27%	0.266	49%	0.485	S	S	.	.			trans	-65.6	135.6	176	28.3	-34.3	0	0	0	110.3	F36 I68 I77	P34-F36 HydrophobicContact CB-CE1 4.02Å; P34-F36 HydrophobicContact CB-CE2 3.85Å; P34-F36 HydrophobicContact CB-CZ 3.49Å; P34-F36 VanDerWaalsContact CB-CZ 3.49Å; P34-F36 HydrophobicContact CG-CE2 3.54Å; P34-F36 HydrophobicContact CG-CZ 3.53Å; P34-I68 HydrophobicContact CB-CD1 4.12Å; P34-I68 HydrophobicContact CG-CD1 4.3Å; P34-I77 HydrophobicContact CB-CD1 4.21Å; P34-I77 HydrophobicContact CB-CG1 4.35Å
35	K	84.3	Confident	72.6	Confident	180 Å²	180	88.9 Å²	88.9	78%	0.783	47%	0.468	S	S	*	.			trans	-94.9	114.8	176	-66.7	-177.7	-179.6	179.8	0	109.7	K73	K35-K73 PolarHBondContact O-NZ 3.11Å
36	F	89.9	Confident	75.7	Confident	79 Å²	79	82.2 Å²	82.2	35%	0.346	43%	0.432	S	S	.	.			trans	-105.8	143	178.8	-59.8	-57.9	0	0	0	111.5	P34 E40 I42 T70	P34-F36 HydrophobicContact CB-CE1 4.02Å; P34-F36 HydrophobicContact CB-CE2 3.85Å; P34-F36 HydrophobicContact CB-CZ 3.49Å; P34-F36 VanDerWaalsContact CB-CZ 3.49Å; P34-F36 HydrophobicContact CG-CE2 3.54Å; P34-F36 HydrophobicContact CG-CZ 3.53Å; F36-E40 WeakPolarHBondContact CA-OE2 3.28Å; F36-E40 HydrophobicContact CB-CB 4.2Å; F36-E40 HydrophobicContact CB-CG 4.48Å; F36-E40 HydrophobicContact CD1-CG 4.04Å; F36-I42 HydrophobicContact CE1-CG1 4.05Å; F36-I42 HydrophobicContact CE2-CD1 4.09Å; F36-I42 HydrophobicContact CE2-CG1 4.29Å; F36-I42 HydrophobicContact CZ-CD1 3.63Å; F36-I42 HydrophobicContact CZ-CG1 3.61Å; F36-T70 HydrophobicContact CD1-CG2 4.17Å; F36-T70 HydrophobicContact CE1-CG2 3.74Å
37	L	90.7	Very high	78.4	Confident	26 Å²	26	78.2 Å²	78.2	14%	0.136	41%	0.412	C	S	.	.			trans	-80.2	156.8	170.2	-65	178.4	0	0	0	110.8	G39 E40 F72 L93 F175 Y179 L485	L37-G39 PolarHBondContact O-N 3.45Å; L37-E40 HydrophobicContact CB-CB 4.33Å; L37-E40 PolarHBondContact N-OE2 2.91Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.37Å; L37-F72 HydrophobicContact CD1-CD1 4.03Å; L37-F72 HydrophobicContact CD1-CE1 3.6Å; L37-F72 HydrophobicContact CD1-CZ 4.19Å; L37-L93 HydrophobicContact CD1-CB 4.27Å; L37-L93 HydrophobicContact CD1-CD2 4.41Å; L37-L93 HydrophobicContact CD2-CD2 4.07Å; L37-F175 HydrophobicContact CB-CE1 4.13Å; L37-F175 HydrophobicContact CB-CZ 3.87Å; L37-F175 HydrophobicContact CD1-CE1 3.84Å; L37-F175 HydrophobicContact CD1-CZ 4.44Å; L37-Y179 HydrophobicContact CB-CD2 4.15Å; L37-Y179 HydrophobicContact CB-CE2 3.97Å; L37-Y179 HydrophobicContact CD1-CE2 4.26Å; L37-Y179 HydrophobicContact CD2-CE2 4.4Å; L37-Y179 HydrophobicContact CG-CE2 4.44Å; L37-L485 HydrophobicContact CD1-CD1 4.04Å
38	P	88.6	Confident	81.1	Confident	45 Å²	45	76.2 Å²	76.2	29%	0.292	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	123.1	170.2	-30	33.7	0	0	0	112.7	E40 Y179	P38-E40 VanDerWaalsContact C-N 3.3Å; P38-Y179 HydrophobicContact CG-CE2 4.5Å
39	G	88.3	Confident	83.8	Confident	24 Å²	24	71.4 Å²	71.4	25%	0.247	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-2.4	-177.7	0	0	0	0	0	115.2	L37 N71 L182	L37-G39 PolarHBondContact O-N 3.45Å; G39-N71 PolarHBondContact O-ND2 3.41Å; G39-L182 VanDerWaalsContact N-CD1 3.34Å
40	E	93.8	Very high	86.1	Confident	16 Å²	16	68 Å²	68	8%	0.075	34%	0.341	C	S	.	.			trans	-77.5	127	174.7	-172.3	175.5	-174.4	0	0	110	F36 L37 P38 T70 N71 F72 K73 F175	F36-E40 WeakPolarHBondContact CA-OE2 3.28Å; F36-E40 HydrophobicContact CB-CB 4.2Å; F36-E40 HydrophobicContact CB-CG 4.48Å; F36-E40 HydrophobicContact CD1-CG 4.04Å; L37-E40 HydrophobicContact CB-CB 4.33Å; L37-E40 PolarHBondContact N-OE2 2.91Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.37Å; P38-E40 VanDerWaalsContact C-N 3.3Å; E40-T70 HydrophobicContact CG-CG2 4.05Å; E40-T70 WeakPolarHBondContact OE1-CB 3.28Å; E40-T70 WeakPolarHBondContact OE1-CG2 3.49Å; E40-T70 PolarHBondContact OE1-OG1 3.13Å; E40-N71 WeakPolarHBondContact CA-OD1 3.45Å; E40-F72 HydrophobicContact CG-CB 4.17Å; E40-K73 WeakPolarHBondContact OE1-CD 3.42Å; E40-K73 WeakPolarHBondContact OE1-CE 3.5Å; E40-K73 VanDerWaalsContact OE1-CG 3.32Å; E40-K73 WeakPolarHBondContact OE1-CG 3.38Å; E40-K73 IonicContact OE2-NZ 3.38Å; E40-F175 HydrophobicContact CB-CE2 3.89Å; E40-F175 HydrophobicContact CB-CZ 3.92Å
41	I	93.8	Very high	88	Confident	99 Å²	99	63.9 Å²	63.9	51%	0.508	31%	0.314	S	S	.	.			trans	-124.2	144.6	-178	63.1	170.4	0	0	0	110.9	V43 T70 N71	I41-V43 PolarHBondContact O-N 3.06Å; I41-T70 CarbonylContact O-C 3.47Å; I41-T70 WeakPolarHBondContact O-CA 3.36Å; I41-T70 WeakPolarHBondContact O-CB 3.42Å; I41-N71 HydrophobicContact CG1-CB 4.18Å; I41-N71 PolarHBondContact N-OD1 3.28Å; I41-N71 PolarHBondContact O-N 3.46Å
42	I	96	Very high	89.4	Confident	77 Å²	77	57.6 Å²	57.6	40%	0.395	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.9	171.8	-59	175.3	0	0	0	108.5	F36 E45 I68	F36-I42 HydrophobicContact CE1-CG1 4.05Å; F36-I42 HydrophobicContact CE2-CD1 4.09Å; F36-I42 HydrophobicContact CE2-CG1 4.29Å; F36-I42 HydrophobicContact CZ-CD1 3.63Å; F36-I42 HydrophobicContact CZ-CG1 3.61Å; I42-E45 HydrophobicContact CG2-CB 4.41Å; I42-I68 HydrophobicContact CB-CG2 4.47Å; I42-I68 HydrophobicContact CD1-CG2 4.39Å; I42-I68 HydrophobicContact CG1-CG2 4.01Å; I42-I68 HydrophobicContact CG2-CG2 3.91Å
43	V	95.4	Very high	89.6	Confident	41 Å²	41	57.4 Å²	57.4	25%	0.248	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-43.8	174.3	174.4	0	0	0	0	110	I41 C69 N71 A161 Y165	I41-V43 PolarHBondContact O-N 3.06Å; V43-C69 WeakPolarHBondContact CB-O 3.35Å; V43-C69 PolarHBondContact N-O 2.93Å; V43-N71 HydrophobicContact CG2-CB 4.42Å; V43-A161 HydrophobicContact CG1-CB 3.9Å; V43-Y165 HydrophobicContact CB-CE2 4.15Å; V43-Y165 HydrophobicContact CG1-CD2 3.79Å; V43-Y165 HydrophobicContact CG1-CE2 3.26Å; V43-Y165 HydrophobicContact CG2-CD1 4.32Å; V43-Y165 HydrophobicContact CG2-CD2 4.22Å; V43-Y165 HydrophobicContact CG2-CE1 3.86Å; V43-Y165 HydrophobicContact CG2-CE2 3.79Å; V43-Y165 HydrophobicContact CG2-CG 4.47Å
44	N	96.7	Very high	88.8	Confident	38 Å²	38	55.5 Å²	55.5	20%	0.203	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.1	178.3	-141.7	-84.5	0	0	0	111	C69 V158 A161	N44-C69 PolarHBondContact N-O 3.41Å; N44-C69 VanDerWaalsContact N-O 3.13Å; N44-C69 PolarHBondContact O-N 3.23Å; N44-V158 HydrophobicContact CB-CB 4.39Å; N44-V158 HydrophobicContact CB-CG2 4.32Å; N44-V158 PolarHBondContact OD1-N 2.97Å; N44-A161 HydrophobicContact CB-CB 3.79Å
45	E	95.9	Very high	87.6	Confident	71 Å²	71	55.6 Å²	55.6	33%	0.332	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.4	173.8	62	169.9	-155.5	0	0	111.4	I42 R66 L67 I68	I42-E45 HydrophobicContact CG2-CB 4.41Å; E45-R66 WeakPolarHBondContact OE2-CD 3.49Å; E45-R66 IonicContact OE2-NH1 3.94Å; E45-R66 PolarHBondContact OE2-NH1 2.86Å; E45-L67 CarbonylContact C-O 3.38Å; E45-L67 VanDerWaalsContact CA-O 3.27Å; E45-L67 WeakPolarHBondContact CA-O 3.46Å; E45-I68 HydrophobicContact CB-CG1 4.16Å
46	V	96.6	Very high	85.7	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.3	174.5	58.3	0	0	0	0	109.5	V49 R66 L67 F147 A150 V158	V46-V49 HydrophobicContact CB-CG2 4.3Å; V46-V49 HydrophobicContact CG1-CG2 3.5Å; V46-V49 HydrophobicContact CG2-CG2 4.06Å; V46-R66 WeakPolarHBondContact O-CA 3.42Å; V46-R66 WeakPolarHBondContact O-CG 3.28Å; V46-L67 HydrophobicContact CG1-CB 3.86Å; V46-L67 HydrophobicContact CG1-CD2 4.46Å; V46-L67 PolarHBondContact N-O 2.69Å; V46-L67 PolarHBondContact O-N 2.8Å; V46-F147 HydrophobicContact CG1-CE1 4.19Å; V46-A150 HydrophobicContact CG2-CB 3.69Å; V46-V158 HydrophobicContact CB-CG1 4.35Å; V46-V158 HydrophobicContact CG1-CB 4.13Å; V46-V158 HydrophobicContact CG1-CG1 3.59Å; V46-V158 HydrophobicContact CG1-CG2 4.36Å
47	N	94.6	Very high	83.4	Confident	61 Å²	61	54.9 Å²	54.9	33%	0.326	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	168.4	177.8	-66	-63	0	0	0	110.7	V49 R66 A150	N47-V49 VanDerWaalsContact C-N 3.27Å; N47-V49 PolarHBondContact O-N 2.99Å; N47-R66 WeakPolarHBondContact OD1-CG 3.43Å; N47-R66 PolarHBondContact OD1-NE 2.91Å; N47-A150 WeakPolarHBondContact O-CB 3.43Å
48	F	93.1	Very high	81.1	Confident	118 Å²	118	56.4 Å²	56.4	52%	0.518	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.2	43.2	177	-47.5	-72.7	0	0	0	111.9	W64 G65 E149	F48-W64 WeakPolarHBondContact O-CZ3 3.14Å; F48-G65 PolarHBondContact N-O 3.43Å; F48-E149 HydrophobicContact CB-CB 4.03Å
49	V	94.1	Very high	79.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.2	174.7	-177.1	0	0	0	0	108.9	V46 N47 W64 G65 L67 F76 F145 F147	V46-V49 HydrophobicContact CB-CG2 4.3Å; V46-V49 HydrophobicContact CG1-CG2 3.5Å; V46-V49 HydrophobicContact CG2-CG2 4.06Å; N47-V49 VanDerWaalsContact C-N 3.27Å; N47-V49 PolarHBondContact O-N 2.99Å; V49-W64 CarbonylContact O-C 3.5Å; V49-W64 WeakPolarHBondContact O-CA 3.14Å; V49-G65 PolarHBondContact N-O 3.01Å; V49-G65 PolarHBondContact O-N 2.77Å; V49-L67 HydrophobicContact CB-CB 4.37Å; V49-L67 HydrophobicContact CG1-CB 4.39Å; V49-L67 HydrophobicContact CG2-CB 3.99Å; V49-F76 HydrophobicContact CB-CE2 4.41Å; V49-F145 HydrophobicContact CG1-CB 3.73Å; V49-F145 HydrophobicContact CG1-CD1 3.78Å; V49-F145 HydrophobicContact CG1-CG 4.12Å; V49-F147 HydrophobicContact CG1-CD1 4.21Å; V49-F147 HydrophobicContact CG1-CE1 4.02Å; V49-F147 HydrophobicContact CG2-CD1 3.98Å; V49-F147 HydrophobicContact CG2-CE1 3.95Å
50	R	92.1	Very high	77.3	Confident	52 Å²	52	66.1 Å²	66.1	20%	0.196	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.7	173.4	-176.6	170.5	59.2	112.8	-3.6	109.5	D62 L63 W64 F145 C146 D148	R50-D62 WeakPolarHBondContact CD-OD2 3.19Å; R50-D62 HydrophobicContact CG-CB 3.69Å; R50-D62 IonicContact CZ-OD2 3.64Å; R50-D62 IonicContact NE-OD2 3.88Å; R50-D62 IonicContact NH1-OD2 2.68Å; R50-D62 PolarHBondContact NH1-OD2 3.13Å; R50-L63 CarbonylContact C-O 3.57Å; R50-W64 HydrophobicContact CB-CD2 4Å; R50-W64 HydrophobicContact CB-CE3 3.91Å; R50-W64 HydrophobicContact CB-CH2 3.87Å; R50-W64 HydrophobicContact CB-CZ2 3.93Å; R50-W64 HydrophobicContact CB-CZ3 3.84Å; R50-W64 HydrophobicContact CG-CD2 4.37Å; R50-W64 HydrophobicContact CG-CZ2 4.14Å; R50-F145 CarbonylContact O-C 3.48Å; R50-F145 VanDerWaalsContact O-CA 3.26Å; R50-F145 WeakPolarHBondContact O-CA 3.43Å; R50-C146 HydrophobicContact CB-CB 4.27Å; R50-C146 PolarHBondContact N-O 2.99Å; R50-C146 PolarHBondContact O-N 3.46Å; R50-D148 IonicContact CZ-OD2 3.32Å; R50-D148 IonicContact NE-OD2 3.03Å; R50-D148 PolarHBondContact NE-OD2 3.14Å; R50-D148 IonicContact NH2-OD2 2.75Å; R50-D148 PolarHBondContact NH2-OD2 2.85Å
51	K	90.6	Very high	75.9	Confident	26 Å²	26	67.1 Å²	67.1	11%	0.113	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.2	168.8	178	176.3	172.9	163.7	0	108.8	L63 F76 I143 F145	K51-L63 HydrophobicContact CB-CB 4.39Å; K51-L63 PolarHBondContact N-O 2.89Å; K51-L63 PolarHBondContact O-N 3.44Å; K51-L63 VanDerWaalsContact O-N 3.1Å; K51-F76 HydrophobicContact CB-CD1 4.24Å; K51-F76 HydrophobicContact CB-CE1 3.79Å; K51-F76 HydrophobicContact CB-CE2 4.1Å; K51-F76 HydrophobicContact CB-CZ 3.71Å; K51-F76 HydrophobicContact CD-CD1 3.86Å; K51-F76 HydrophobicContact CD-CE1 4.1Å; K51-F76 HydrophobicContact CD-CG 4.35Å; K51-I143 HydrophobicContact CD-CG2 4.43Å; K51-I143 HydrophobicContact CG-CG2 4.46Å; K51-F145 HydrophobicContact CB-CD1 3.86Å; K51-F145 HydrophobicContact CB-CE1 3.79Å; K51-F145 HydrophobicContact CD-CE1 4.02Å; K51-F145 HydrophobicContact CG-CD1 4.21Å; K51-F145 HydrophobicContact CG-CE1 3.87Å
52	C	84.3	Confident	75.2	Confident	27 Å²	27	63.6 Å²	63.6	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.5	179.5	-53.9	0	0	0	0	110.7	D62 R144 C146	C52-D62 VanDerWaalsContact CA-OD1 3.29Å; C52-D62 WeakPolarHBondContact CA-OD1 3.32Å; C52-R144 HydrophobicContact CB-CB 4.08Å; C52-R144 PolarHBondContact N-O 3.37Å; C52-C146 PolarHBondContact SG-SG 2.99Å
53	I	73.9	Confident	74.8	Confident	60 Å²	60	61.7 Å²	61.7	31%	0.308	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-94.1	125.6	170.1	-55.7	-166.2	0	0	0	108.6	S55 S61 D62 L63	I53-S55 PolarHBondContact O-N 3.07Å; I53-S61 WeakPolarHBondContact CD1-O 3.41Å; I53-S61 WeakPolarHBondContact CG1-O 3.46Å; I53-D62 PolarHBondContact N-OD1 3.01Å; I53-L63 HydrophobicContact CD1-CD1 4.33Å; I53-L63 HydrophobicContact CD1-CG 4.08Å
54	V	56.9	Low	74.6	Confident	82 Å²	82	63.5 Å²	63.5	50%	0.497	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	9.3	-171.1	-179.1	0	0	0	0	113.8
55	S	50.8	Low	74.5	Confident	44 Å²	44	62.1 Å²	62.1	31%	0.308	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.4	-164.4	70.9	0	0	0	0	118	I53	I53-S55 PolarHBondContact O-N 3.07Å
56	T	43.6	Very low	74.4	Confident	57 Å²	57	63.3 Å²	63.3	35%	0.35	34%	0.335	S	S	.	.			trans	-154.5	134.4	178.4	47.1	0	0	0	0	113.6	S58 S61	T56-S58 WeakPolarHBondContact CB-OG 3.39Å; T56-S58 PolarHBondContact O-N 3.18Å; T56-S58 PolarHBondContact OG1-O 3.19Å; T56-S61 PolarHBondContact OG1-OG 3.43Å
57	D	40.6	Very low	74.4	Confident	187 Å²	187	63.2 Å²	63.2	100%	1	34%	0.335	S	S	*	.	S	Bend	trans	-57.5	-5.2	162.9	-76.3	-24.9	0	0	0	113.7
58	S	44.5	Very low	74.5	Confident	57 Å²	57	60.3 Å²	60.3	40%	0.399	32%	0.319	S	S	.	.	S	Bend	trans	-102.2	122.4	171.7	63.7	0	0	0	0	111	T56 Q60	T56-S58 WeakPolarHBondContact CB-OG 3.39Å; T56-S58 PolarHBondContact O-N 3.18Å; T56-S58 PolarHBondContact OG1-O 3.19Å; S58-Q60 PolarHBondContact O-N 2.96Å
59	S	48.3	Very low	74.7	Confident	94 Å²	94	54.7 Å²	54.7	66%	0.657	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.5	1.7	171	53	0	0	0	0	115.6	S61	S59-S61 VanDerWaalsContact C-N 3.32Å; S59-S61 PolarHBondContact O-N 3.17Å
60	Q	48.2	Very low	74.8	Confident	179 Å²	179	54.7 Å²	54.7	84%	0.836	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-76.4	-11.9	-174.6	-70.5	-89.5	-29.2	0	0	114	S58	S58-Q60 PolarHBondContact O-N 2.96Å
61	S	63.5	Low	74.9	Confident	37 Å²	37	53.6 Å²	53.6	26%	0.259	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-103.1	-3.9	-178.9	64.8	0	0	0	0	114.3	I53 T56 S59	I53-S61 WeakPolarHBondContact CD1-O 3.41Å; I53-S61 WeakPolarHBondContact CG1-O 3.46Å; T56-S61 PolarHBondContact OG1-OG 3.43Å; S59-S61 VanDerWaalsContact C-N 3.32Å; S59-S61 PolarHBondContact O-N 3.17Å
62	D	80.4	Confident	75.1	Confident	26 Å²	26	52.5 Å²	52.5	14%	0.139	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.5	-177.5	-71.6	-17.8	0	0	0	112.6	R50 C52 I53	R50-D62 WeakPolarHBondContact CD-OD2 3.19Å; R50-D62 HydrophobicContact CG-CB 3.69Å; R50-D62 IonicContact CZ-OD2 3.64Å; R50-D62 IonicContact NE-OD2 3.88Å; R50-D62 IonicContact NH1-OD2 2.68Å; R50-D62 PolarHBondContact NH1-OD2 3.13Å; C52-D62 VanDerWaalsContact CA-OD1 3.29Å; C52-D62 WeakPolarHBondContact CA-OD1 3.32Å; I53-D62 PolarHBondContact N-OD1 3.01Å
63	L	87.4	Confident	75.6	Confident	37 Å²	37	51.4 Å²	51.4	19%	0.194	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	179	-59	174.6	0	0	0	110.1	R50 K51 I53 F76	R50-L63 CarbonylContact C-O 3.57Å; K51-L63 HydrophobicContact CB-CB 4.39Å; K51-L63 PolarHBondContact N-O 2.89Å; K51-L63 PolarHBondContact O-N 3.44Å; K51-L63 VanDerWaalsContact O-N 3.1Å; I53-L63 HydrophobicContact CD1-CD1 4.33Å; I53-L63 HydrophobicContact CD1-CG 4.08Å; L63-F76 HydrophobicContact CB-CE1 3.84Å; L63-F76 HydrophobicContact CB-CZ 4.2Å; L63-F76 WeakPolarHBondContact O-CZ 3.46Å
64	W	91.4	Very high	76.7	Confident	79 Å²	79	48.6 Å²	48.6	30%	0.299	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.1	168.6	-71.6	92.2	0	0	0	110.7	F48 V49 R50 P78 Q79 E149	F48-W64 WeakPolarHBondContact O-CZ3 3.14Å; V49-W64 CarbonylContact O-C 3.5Å; V49-W64 WeakPolarHBondContact O-CA 3.14Å; R50-W64 HydrophobicContact CB-CD2 4Å; R50-W64 HydrophobicContact CB-CE3 3.91Å; R50-W64 HydrophobicContact CB-CH2 3.87Å; R50-W64 HydrophobicContact CB-CZ2 3.93Å; R50-W64 HydrophobicContact CB-CZ3 3.84Å; R50-W64 HydrophobicContact CG-CD2 4.37Å; R50-W64 HydrophobicContact CG-CZ2 4.14Å; W64-P78 CarbonylContact O-C 3.58Å; W64-P78 WeakPolarHBondContact O-CA 3.09Å; W64-Q79 WeakPolarHBondContact O-CB 3.49Å; W64-Q79 PolarHBondContact O-N 3.32Å; W64-E149 HydrophobicContact CH2-CB 4.17Å; W64-E149 HydrophobicContact CH2-CG 3.76Å; W64-E149 HydrophobicContact CZ3-CB 3.95Å; W64-E149 HydrophobicContact CZ3-CG 4.03Å
65	G	93.2	Very high	78.6	Confident	8 Å²	8	44.9 Å²	44.9	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-159.8	-178.1	0	0	0	0	0	114.9	F48 V49 I77	F48-G65 PolarHBondContact N-O 3.43Å; V49-G65 PolarHBondContact N-O 3.01Å; V49-G65 PolarHBondContact O-N 2.77Å; G65-I77 CarbonylContact C-O 3.57Å; G65-I77 WeakPolarHBondContact CA-O 3.33Å
66	R	94.1	Very high	80.6	Confident	96 Å²	96	42.9 Å²	42.9	36%	0.362	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.4	177.9	-174.9	-173.9	-60.3	-177.1	7	110.1	E45 V46 N47 I68 F76 I77	E45-R66 WeakPolarHBondContact OE2-CD 3.49Å; E45-R66 IonicContact OE2-NH1 3.94Å; E45-R66 PolarHBondContact OE2-NH1 2.86Å; V46-R66 WeakPolarHBondContact O-CA 3.42Å; V46-R66 WeakPolarHBondContact O-CG 3.28Å; N47-R66 WeakPolarHBondContact OD1-CG 3.43Å; N47-R66 PolarHBondContact OD1-NE 2.91Å; R66-I68 HydrophobicContact CG-CD1 4.44Å; R66-I68 HydrophobicContact CG-CG1 3.94Å; R66-F76 WeakPolarHBondContact O-CA 3.36Å; R66-I77 PolarHBondContact N-O 3.41Å; R66-I77 PolarHBondContact O-N 2.91Å
67	L	96.6	Very high	82.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.2	171.8	-175.6	67	0	0	0	109.6	E45 V46 V49 V74 F76 L133 F145 F147 V158 I162	E45-L67 CarbonylContact C-O 3.38Å; E45-L67 VanDerWaalsContact CA-O 3.27Å; E45-L67 WeakPolarHBondContact CA-O 3.46Å; V46-L67 HydrophobicContact CG1-CB 3.86Å; V46-L67 HydrophobicContact CG1-CD2 4.46Å; V46-L67 PolarHBondContact N-O 2.69Å; V46-L67 PolarHBondContact O-N 2.8Å; V49-L67 HydrophobicContact CB-CB 4.37Å; V49-L67 HydrophobicContact CG1-CB 4.39Å; V49-L67 HydrophobicContact CG2-CB 3.99Å; L67-V74 HydrophobicContact CD1-CG1 3.58Å; L67-V74 HydrophobicContact CG-CG1 4.43Å; L67-F76 HydrophobicContact CD1-CB 4.39Å; L67-L133 HydrophobicContact CD2-CD2 3.93Å; L67-F145 HydrophobicContact CD1-CD1 4.44Å; L67-F145 HydrophobicContact CD1-CD2 4.38Å; L67-F145 HydrophobicContact CD1-CE1 3.96Å; L67-F145 HydrophobicContact CD1-CE2 3.87Å; L67-F145 HydrophobicContact CD1-CZ 3.64Å; L67-F145 HydrophobicContact CD2-CD2 4.23Å; L67-F145 HydrophobicContact CD2-CE2 4.5Å; L67-F145 HydrophobicContact CD2-CG 4.31Å; L67-F147 HydrophobicContact CD2-CE1 4.38Å; L67-F147 HydrophobicContact CD2-CZ 4.48Å; L67-V158 HydrophobicContact CD2-CG1 4.4Å; L67-V158 HydrophobicContact CD2-CG2 4.47Å; L67-I162 HydrophobicContact CD2-CD1 4.31Å
68	I	96.4	Very high	85.2	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130	-176.4	-53.3	176.6	0	0	0	108.6	P34 I42 E45 R66 T70 V74 S75 I77	P34-I68 HydrophobicContact CB-CD1 4.12Å; P34-I68 HydrophobicContact CG-CD1 4.3Å; I42-I68 HydrophobicContact CB-CG2 4.47Å; I42-I68 HydrophobicContact CD1-CG2 4.39Å; I42-I68 HydrophobicContact CG1-CG2 4.01Å; I42-I68 HydrophobicContact CG2-CG2 3.91Å; E45-I68 HydrophobicContact CB-CG1 4.16Å; R66-I68 HydrophobicContact CG-CD1 4.44Å; R66-I68 HydrophobicContact CG-CG1 3.94Å; I68-T70 HydrophobicContact CG2-CG2 4.04Å; I68-V74 CarbonylContact O-C 3.48Å; I68-V74 WeakPolarHBondContact O-CA 3.44Å; I68-S75 PolarHBondContact N-O 2.72Å; I68-S75 PolarHBondContact O-N 3.3Å; I68-I77 HydrophobicContact CD1-CG1 4.14Å
69	C	97.4	Very high	87.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.3	165.9	-174.3	0	0	0	0	108.5	V43 N44 V158 A161 I162	V43-C69 WeakPolarHBondContact CB-O 3.35Å; V43-C69 PolarHBondContact N-O 2.93Å; N44-C69 PolarHBondContact N-O 3.41Å; N44-C69 VanDerWaalsContact N-O 3.13Å; N44-C69 PolarHBondContact O-N 3.23Å; C69-V158 HydrophobicContact CB-CG2 4.15Å; C69-A161 HydrophobicContact CB-CB 4.43Å; C69-I162 HydrophobicContact CB-CG1 3.74Å
70	T	96.3	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-177.2	170	72	0	0	0	0	110.3	F36 E40 I41 I68 F72 K73 L101	F36-T70 HydrophobicContact CD1-CG2 4.17Å; F36-T70 HydrophobicContact CE1-CG2 3.74Å; E40-T70 HydrophobicContact CG-CG2 4.05Å; E40-T70 WeakPolarHBondContact OE1-CB 3.28Å; E40-T70 WeakPolarHBondContact OE1-CG2 3.49Å; E40-T70 PolarHBondContact OE1-OG1 3.13Å; I41-T70 CarbonylContact O-C 3.47Å; I41-T70 WeakPolarHBondContact O-CA 3.36Å; I41-T70 WeakPolarHBondContact O-CB 3.42Å; I68-T70 HydrophobicContact CG2-CG2 4.04Å; T70-F72 PolarHBondContact O-N 3.05Å; T70-F72 PolarHBondContact OG1-N 3.14Å; T70-F72 VanDerWaalsContact OG1-N 3.08Å; T70-K73 PolarHBondContact N-O 3.1Å; T70-K73 PolarHBondContact OG1-N 3.31Å; T70-K73 PolarHBondContact OG1-O 3.09Å; T70-L101 WeakPolarHBondContact O-CD1 3.31Å
71	N	94.1	Very high	89.8	Confident	29 Å²	29	36 Å²	36	16%	0.155	18%	0.18	C	C	.	.	S	Bend	trans	-75.5	-0.5	167.4	62.3	-26.1	0	0	0	113.4	G39 E40 I41 V43 Y165	G39-N71 PolarHBondContact O-ND2 3.41Å; E40-N71 WeakPolarHBondContact CA-OD1 3.45Å; I41-N71 HydrophobicContact CG1-CB 4.18Å; I41-N71 PolarHBondContact N-OD1 3.28Å; I41-N71 PolarHBondContact O-N 3.46Å; V43-N71 HydrophobicContact CG2-CB 4.42Å; N71-Y165 HydrophobicContact CB-CD1 4.3Å; N71-Y165 HydrophobicContact CB-CE1 4.12Å
72	F	95.1	Very high	89.8	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.013	18%	0.181	C	C	.	.	S	Bend	trans	-121.1	-42.7	-178.9	174.1	-134	0	0	0	113.5	L37 E40 T70 L94 L101 F175 I483 L485	L37-F72 HydrophobicContact CD1-CD1 4.03Å; L37-F72 HydrophobicContact CD1-CE1 3.6Å; L37-F72 HydrophobicContact CD1-CZ 4.19Å; E40-F72 HydrophobicContact CG-CB 4.17Å; T70-F72 PolarHBondContact O-N 3.05Å; T70-F72 PolarHBondContact OG1-N 3.14Å; T70-F72 VanDerWaalsContact OG1-N 3.08Å; F72-L94 HydrophobicContact CD1-CD2 4.48Å; F72-L94 HydrophobicContact CE1-CD2 3.56Å; F72-L94 HydrophobicContact CE1-CG 4.46Å; F72-L94 HydrophobicContact CZ-CD2 3.77Å; F72-L94 HydrophobicContact CZ-CG 4.4Å; F72-L101 WeakPolarHBondContact O-CG 3.3Å; F72-L101 PolarHBondContact O-N 3.13Å; F72-F175 HydrophobicContact CB-CB 3.97Å; F72-F175 HydrophobicContact CB-CD1 3.6Å; F72-F175 HydrophobicContact CB-CD2 3.86Å; F72-F175 HydrophobicContact CB-CE1 4.03Å; F72-F175 HydrophobicContact CB-CE2 4.27Å; F72-F175 HydrophobicContact CB-CG 3.51Å; F72-F175 HydrophobicContact CB-CZ 4.35Å; F72-F175 HydrophobicContact CD1-CD1 4.08Å; F72-F175 HydrophobicContact CD1-CE1 4.04Å; F72-F175 HydrophobicContact CD2-CB 3.84Å; F72-F175 AromaticContact CD2-CD1 3.19Å; F72-F175 HydrophobicContact CD2-CD1 3.19Å; F72-F175 AromaticContact CD2-CE1 3.97Å; F72-F175 HydrophobicContact CD2-CE1 3.97Å; F72-F175 AromaticContact CD2-CG 3.72Å; F72-F175 HydrophobicContact CD2-CG 3.72Å; F72-F175 AromaticContact CE2-CD1 3.84Å; F72-F175 HydrophobicContact CE2-CD1 3.84Å; F72-F175 HydrophobicContact CE2-CE1 4.45Å; F72-F175 HydrophobicContact CG-CB 4.27Å; F72-F175 AromaticContact CG-CD1 3.34Å; F72-F175 HydrophobicContact CG-CD1 3.34Å; F72-F175 AromaticContact CG-CE1 3.74Å; F72-F175 HydrophobicContact CG-CE1 3.74Å; F72-F175 AromaticContact CG-CG 3.79Å; F72-F175 HydrophobicContact CG-CG 3.79Å; F72-F175 HydrophobicContact CG-CZ 4.48Å; F72-I483 HydrophobicContact CZ-CG2 4.45Å; F72-L485 HydrophobicContact CE2-CD1 4.06Å; F72-L485 HydrophobicContact CE2-CG 4.17Å; F72-L485 HydrophobicContact CZ-CD1 3.83Å; F72-L485 HydrophobicContact CZ-CG 4.43Å
73	K	95.8	Very high	88.8	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.4	-168.7	69.5	-166.7	-179.3	-178.6	0	112.5	K35 E40 T70 L94 D98 I99	K35-K73 PolarHBondContact O-NZ 3.11Å; E40-K73 WeakPolarHBondContact OE1-CD 3.42Å; E40-K73 WeakPolarHBondContact OE1-CE 3.5Å; E40-K73 VanDerWaalsContact OE1-CG 3.32Å; E40-K73 WeakPolarHBondContact OE1-CG 3.38Å; E40-K73 IonicContact OE2-NZ 3.38Å; T70-K73 PolarHBondContact N-O 3.1Å; T70-K73 PolarHBondContact OG1-N 3.31Å; T70-K73 PolarHBondContact OG1-O 3.09Å; K73-L94 HydrophobicContact CB-CD2 4.28Å; K73-L94 HydrophobicContact CD-CD2 3.87Å; K73-D98 HydrophobicContact CD-CB 4.02Å; K73-D98 WeakPolarHBondContact CD-OD2 3.5Å; K73-D98 VanDerWaalsContact CE-OD2 3.24Å; K73-D98 WeakPolarHBondContact CE-OD2 3.4Å; K73-D98 IonicContact NZ-OD2 2.8Å; K73-D98 PolarHBondContact NZ-OD2 3.3Å; K73-I99 CarbonylContact C-O 3.37Å; K73-I99 WeakPolarHBondContact CA-O 3.49Å; K73-I99 VanDerWaalsContact CB-O 3.25Å; K73-I99 WeakPolarHBondContact CB-O 3.22Å
74	V	96.8	Very high	86.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.9	159.4	-176.3	0	0	0	0	107.4	L67 I68 D98 I99 L101 L104 L135 I162	L67-V74 HydrophobicContact CD1-CG1 3.58Å; L67-V74 HydrophobicContact CG-CG1 4.43Å; I68-V74 CarbonylContact O-C 3.48Å; I68-V74 WeakPolarHBondContact O-CA 3.44Å; V74-D98 CarbonylContact O-C 3.56Å; V74-D98 WeakPolarHBondContact O-CA 3.49Å; V74-I99 HydrophobicContact CB-CB 4.5Å; V74-I99 PolarHBondContact N-O 3.47Å; V74-I99 PolarHBondContact O-N 3.21Å; V74-L101 HydrophobicContact CG2-CD2 3.95Å; V74-L104 HydrophobicContact CG2-CD1 3.92Å; V74-L135 HydrophobicContact CG1-CD1 4.18Å; V74-I162 HydrophobicContact CG1-CD1 4.03Å; V74-I162 HydrophobicContact CG2-CB 4.49Å; V74-I162 HydrophobicContact CG2-CD1 4.03Å; V74-I162 HydrophobicContact CG2-CG1 3.86Å; V74-I162 HydrophobicContact CG2-CG2 3.88Å
75	S	95.2	Very high	85	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.2	-179.9	-170.6	0	0	0	0	110.1	I68 D98	I68-S75 PolarHBondContact N-O 2.72Å; I68-S75 PolarHBondContact O-N 3.3Å; S75-D98 WeakPolarHBondContact CA-OD1 3.43Å; S75-D98 WeakPolarHBondContact CB-OD1 3.42Å; S75-D98 PolarHBondContact OG-OD1 3.18Å
76	F	93.9	Very high	82.8	Confident	3 Å²	3	61.6 Å²	61.6	1%	0.013	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.7	171.8	178.1	-100.6	0	0	0	110.1	V49 K51 L63 R66 L67 P78 Q97 F145	V49-F76 HydrophobicContact CB-CE2 4.41Å; K51-F76 HydrophobicContact CB-CD1 4.24Å; K51-F76 HydrophobicContact CB-CE1 3.79Å; K51-F76 HydrophobicContact CB-CE2 4.1Å; K51-F76 HydrophobicContact CB-CZ 3.71Å; K51-F76 HydrophobicContact CD-CD1 3.86Å; K51-F76 HydrophobicContact CD-CE1 4.1Å; K51-F76 HydrophobicContact CD-CG 4.35Å; L63-F76 HydrophobicContact CB-CE1 3.84Å; L63-F76 HydrophobicContact CB-CZ 4.2Å; L63-F76 WeakPolarHBondContact O-CZ 3.46Å; R66-F76 WeakPolarHBondContact O-CA 3.36Å; L67-F76 HydrophobicContact CD1-CB 4.39Å; F76-P78 HydrophobicContact CE1-CB 4.08Å; F76-Q97 HydrophobicContact CB-CB 4.26Å; F76-Q97 VanDerWaalsContact O-CB 3.25Å; F76-Q97 WeakPolarHBondContact O-CB 3.24Å; F76-F145 HydrophobicContact CB-CE1 3.99Å; F76-F145 HydrophobicContact CB-CZ 4.17Å; F76-F145 HydrophobicContact CD2-CD1 4.19Å; F76-F145 AromaticContact CD2-CE1 3.58Å; F76-F145 HydrophobicContact CD2-CE1 3.58Å; F76-F145 HydrophobicContact CE2-CD1 4.47Å; F76-F145 HydrophobicContact CE2-CE1 4.21Å; F76-F145 AromaticContact CG-CE1 3.81Å; F76-F145 HydrophobicContact CG-CE1 3.81Å; F76-F145 HydrophobicContact CG-CZ 4.48Å
77	I	91.8	Very high	80.8	Confident	33 Å²	33	59.8 Å²	59.8	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	108.5	179.5	-51.8	-57.4	0	0	0	108	L32 P34 G65 R66 I68	L32-I77 HydrophobicContact CB-CG2 3.85Å; P34-I77 HydrophobicContact CB-CD1 4.21Å; P34-I77 HydrophobicContact CB-CG1 4.35Å; G65-I77 CarbonylContact C-O 3.57Å; G65-I77 WeakPolarHBondContact CA-O 3.33Å; R66-I77 PolarHBondContact N-O 3.41Å; R66-I77 PolarHBondContact O-N 2.91Å; I68-I77 HydrophobicContact CD1-CG1 4.14Å
78	P	89.6	Confident	78.9	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.084	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	150.7	178.6	30.1	-33.9	0	0	0	110.4	L32 W64 F76 E80	L32-P78 HydrophobicContact CD1-CG 4.27Å; L32-P78 WeakPolarHBondContact CD1-O 3.38Å; W64-P78 CarbonylContact O-C 3.58Å; W64-P78 WeakPolarHBondContact O-CA 3.09Å; F76-P78 HydrophobicContact CE1-CB 4.08Å; P78-E80 WeakPolarHBondContact CB-O 3.35Å
79	Q	86.3	Confident	77.5	Confident	142 Å²	142	70.2 Å²	70.2	66%	0.664	35%	0.352	S	S	*	.	S	Bend	trans	-70.3	-35.8	178.3	-178.3	172.6	-9.3	0	0	111.6	W64	W64-Q79 WeakPolarHBondContact O-CB 3.49Å; W64-Q79 PolarHBondContact O-N 3.32Å
80	E	81.4	Confident	76.4	Confident	150 Å²	150	73 Å²	73	70%	0.701	37%	0.371	S	S	*	.	S	Bend	trans	-108.3	144.5	173.5	-64.3	-173.4	175	0	0	110	P78	P78-E80 WeakPolarHBondContact CB-O 3.35Å
81	P	68.9	Low	75.9	Confident	90 Å²	90	75.1 Å²	75.1	58%	0.584	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-59.6	129.1	174.5	25	-32	0	0	0	108.7	L32	L32-P81 HydrophobicContact CD1-CB 4.49Å
82	P	64.1	Low	75.7	Confident	45 Å²	45	78.3 Å²	78.3	29%	0.292	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-58	148.4	177.3	24.8	-32.1	0	0	0	109	K84	P82-K84 PolarHBondContact O-N 2.98Å
83	P	59	Low	75.4	Confident	111 Å²	111	78.9 Å²	78.9	72%	0.721	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-50.2	138	173.5	21	-31.5	0	0	0	108.5	Q85	P83-Q85 PolarHBondContact O-N 2.87Å
84	K	48.1	Very low	75	Confident	215 Å²	215	79.8 Å²	79.8	94%	0.935	41%	0.405	S	S	*	.			trans	-62.4	68.9	-175	-69.8	-178.8	179.8	174.9	0	111.9	P82 K86	P82-K84 PolarHBondContact O-N 2.98Å; K84-K86 PolarHBondContact O-N 2.92Å
85	Q	51.3	Low	74.5	Confident	158 Å²	158	81.5 Å²	81.5	74%	0.738	42%	0.424	S	S	*	.			trans	-75	106	158.3	-94.8	-179	-5.6	0	0	105.8	P83 S87	P83-Q85 PolarHBondContact O-N 2.87Å; Q85-S87 VanDerWaalsContact C-N 3.35Å; Q85-S87 PolarHBondContact O-N 3.17Å
86	K	46.7	Very low	73.8	Confident	197 Å²	197	86.8 Å²	86.8	86%	0.857	45%	0.448	S	S	*	.			trans	-63.2	101.5	167.8	-71.9	178.9	178.9	174.2	0	106.8	K84 Q88	K84-K86 PolarHBondContact O-N 2.92Å; K86-Q88 PolarHBondContact O-N 2.73Å
87	S	53.2	Low	73.5	Confident	58 Å²	58	88.5 Å²	88.5	41%	0.406	46%	0.456	S	S	.	.			trans	-57.5	129.1	164.1	62.7	0	0	0	0	106.9	Q85 F89	Q85-S87 VanDerWaalsContact C-N 3.35Å; Q85-S87 PolarHBondContact O-N 3.17Å; S87-F89 WeakPolarHBondContact CB-O 3.31Å; S87-F89 PolarHBondContact O-N 3.21Å; S87-F89 PolarHBondContact OG-O 3.29Å
88	Q	56.3	Low	73.5	Confident	168 Å²	168	87.5 Å²	87.5	79%	0.785	45%	0.451	S	S	*	.	S	Bend	trans	-65	-21.4	-179.7	-75.5	-178.8	-2	0	0	111.8	K86 L537	K86-Q88 PolarHBondContact O-N 2.73Å; Q88-L537 WeakPolarHBondContact O-CD1 3.49Å
89	F	66.7	Low	73.7	Confident	52 Å²	52	87 Å²	87	23%	0.228	45%	0.448	C	S	.	.			trans	-125.1	134.1	175.3	-98.5	-88.7	0	0	0	110.4	S87 A472 V476 F530 D534 L537 F538	S87-F89 WeakPolarHBondContact CB-O 3.31Å; S87-F89 PolarHBondContact O-N 3.21Å; S87-F89 PolarHBondContact OG-O 3.29Å; F89-A472 HydrophobicContact CE2-CB 3.9Å; F89-A472 HydrophobicContact CZ-CB 4.41Å; F89-V476 HydrophobicContact CD1-CG2 4.42Å; F89-V476 HydrophobicContact CE1-CG2 4.25Å; F89-F530 AromaticContact CD1-CD1 3.74Å; F89-F530 HydrophobicContact CD1-CD1 3.74Å; F89-F530 AromaticContact CD1-CE1 3.68Å; F89-F530 HydrophobicContact CD1-CE1 3.68Å; F89-F530 HydrophobicContact CE1-CD1 4.14Å; F89-F530 HydrophobicContact CE1-CE1 4.23Å; F89-D534 HydrophobicContact CD1-CB 4.07Å; F89-D534 HydrophobicContact CE1-CB 4.16Å; F89-D534 WeakPolarHBondContact CE1-O 3.27Å; F89-L537 HydrophobicContact CD2-CB 4.45Å; F89-L537 HydrophobicContact CD2-CD1 3.49Å; F89-L537 VanDerWaalsContact CD2-CD1 3.49Å; F89-L537 HydrophobicContact CE1-CB 4.45Å; F89-L537 HydrophobicContact CE1-CD1 4.41Å; F89-L537 HydrophobicContact CE2-CB 3.38Å; F89-L537 HydrophobicContact CE2-CD1 3.25Å; F89-L537 HydrophobicContact CE2-CG 3.94Å; F89-L537 HydrophobicContact CG-CD1 4.21Å; F89-L537 HydrophobicContact CZ-CB 3.39Å; F89-L537 HydrophobicContact CZ-CD1 3.77Å; F89-L537 HydrophobicContact CZ-CG 4.19Å; F89-F538 HydrophobicContact CE1-CD1 4.14Å; F89-F538 AromaticContact CE1-CE1 3.48Å; F89-F538 HydrophobicContact CE1-CE1 3.48Å; F89-F538 VanDerWaalsContact CE1-CE1 3.48Å; F89-F538 HydrophobicContact CE1-CZ 4.22Å; F89-F538 AromaticContact CZ-CD1 3.81Å; F89-F538 HydrophobicContact CZ-CD1 3.81Å; F89-F538 AromaticContact CZ-CE1 3.58Å; F89-F538 HydrophobicContact CZ-CE1 3.58Å
90	S	74.9	Confident	74.1	Confident	57 Å²	57	80.3 Å²	80.3	40%	0.399	42%	0.417	S	S	.	.			trans	-121.6	122.8	173.3	70.3	0	0	0	0	110.4	F530 D534	S90-F530 WeakPolarHBondContact O-CD1 3.12Å; S90-D534 PolarHBondContact N-OD2 2.81Å; S90-D534 PolarHBondContact OG-OD2 3.34Å
91	H	85.9	Confident	74.8	Confident	46 Å²	46	73.6 Å²	73.6	21%	0.213	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-86.1	135.6	178.7	-162.7	-88.7	0	0	0	110.1	L93 L94 Q529 F530	H91-L93 VanDerWaalsContact CE1-CB 3.49Å; H91-L93 WeakPolarHBondContact CE1-CB 3.32Å; H91-L93 PolarHBondContact ND1-N 3.49Å; H91-L93 VanDerWaalsContact ND1-N 3.12Å; H91-L94 HydrophobicContact CB-CB 4.46Å; H91-L94 WeakPolarHBondContact CB-O 3.5Å; H91-L94 PolarHBondContact ND1-N 2.73Å; H91-L94 VanDerWaalsContact ND1-N 3.18Å; H91-L94 VanDerWaalsContact O-O 3.06Å; H91-Q529 CarbonylContact C-O 3.51Å; H91-Q529 WeakPolarHBondContact CA-O 3.08Å; H91-F530 HydrophobicContact CB-CE1 4.3Å; H91-F530 AromaticContact CD2-CE1 3.7Å; H91-F530 AromaticContact CD2-CZ 3.45Å; H91-F530 VanDerWaalsContact CD2-CZ 3.45Å; H91-F530 WeakPolarHBondContact CD2-CZ 3.37Å
92	L	88.5	Confident	76	Confident	96 Å²	96	69.7 Å²	69.7	50%	0.503	36%	0.36	S	S	.	.	S	Bend	trans	-77.7	-26.1	-177.5	-64.8	178.6	0	0	0	112.7	Q529	L92-Q529 PolarHBondContact N-O 3.22Å
93	L	88.4	Confident	77.5	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.079	35%	0.347	C	S	.	.	S	Bend	trans	-97.6	-19.8	-177.6	-46.9	172	0	0	0	113.7	L37 H91 L485 F486 Q528 Q529	L37-L93 HydrophobicContact CD1-CB 4.27Å; L37-L93 HydrophobicContact CD1-CD2 4.41Å; L37-L93 HydrophobicContact CD2-CD2 4.07Å; H91-L93 VanDerWaalsContact CE1-CB 3.49Å; H91-L93 WeakPolarHBondContact CE1-CB 3.32Å; H91-L93 PolarHBondContact ND1-N 3.49Å; H91-L93 VanDerWaalsContact ND1-N 3.12Å; L93-L485 HydrophobicContact CD1-CD1 3.83Å; L93-F486 HydrophobicContact CD1-CE2 4.07Å; L93-F486 HydrophobicContact CD1-CZ 3.76Å; L93-Q528 WeakPolarHBondContact CD2-O 3.29Å; L93-Q528 WeakPolarHBondContact CG-O 3.03Å; L93-Q529 HydrophobicContact CD1-CG 4.25Å
94	L	88.7	Confident	79.2	Confident	21 Å²	21	62.5 Å²	62.5	11%	0.11	31%	0.313	C	S	.	.	S	Bend	trans	-134.1	126.3	-174	-69	174.9	0	0	0	108.4	F72 K73 H91 D98 I483	F72-L94 HydrophobicContact CD1-CD2 4.48Å; F72-L94 HydrophobicContact CE1-CD2 3.56Å; F72-L94 HydrophobicContact CE1-CG 4.46Å; F72-L94 HydrophobicContact CZ-CD2 3.77Å; F72-L94 HydrophobicContact CZ-CG 4.4Å; K73-L94 HydrophobicContact CB-CD2 4.28Å; K73-L94 HydrophobicContact CD-CD2 3.87Å; H91-L94 HydrophobicContact CB-CB 4.46Å; H91-L94 WeakPolarHBondContact CB-O 3.5Å; H91-L94 PolarHBondContact ND1-N 2.73Å; H91-L94 VanDerWaalsContact ND1-N 3.18Å; H91-L94 VanDerWaalsContact O-O 3.06Å; L94-D98 HydrophobicContact CB-CB 4.17Å; L94-D98 HydrophobicContact CD2-CB 4.01Å; L94-I483 HydrophobicContact CD1-CD1 3.95Å; L94-I483 HydrophobicContact CD1-CG1 4.15Å
95	G	85.4	Confident	81.3	Confident	39 Å²	39	53 Å²	53	40%	0.402	27%	0.273	S	S	.	.			trans	-68.1	166.9	171.6	0	0	0	0	0	112.2	Q97 D98	G95-Q97 PolarHBondContact O-N 3.34Å; G95-Q97 VanDerWaalsContact O-N 3.12Å; G95-D98 VanDerWaalsContact N-CG 3.33Å; G95-D98 PolarHBondContact N-OD2 3.43Å; G95-D98 WeakPolarHBondContact O-CB 3.4Å; G95-D98 PolarHBondContact O-N 2.79Å
96	Q	81.6	Confident	83.2	Confident	114 Å²	114	49.2 Å²	49.2	53%	0.533	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30	-178.5	-172.4	179.6	8.2	0	0	113.6
97	Q	86.9	Confident	85.6	Confident	38 Å²	38	39.9 Å²	39.9	18%	0.178	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	8.3	-179	-54	-61.5	-15.9	0	0	112.7	F76 G95	F76-Q97 HydrophobicContact CB-CB 4.26Å; F76-Q97 VanDerWaalsContact O-CB 3.25Å; F76-Q97 WeakPolarHBondContact O-CB 3.24Å; G95-Q97 PolarHBondContact O-N 3.34Å; G95-Q97 VanDerWaalsContact O-N 3.12Å
98	D	91.8	Very high	87.5	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.064	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.3	-177.7	-68.4	-8.5	0	0	0	111.5	K73 V74 S75 L94 G95 R141	K73-D98 HydrophobicContact CD-CB 4.02Å; K73-D98 WeakPolarHBondContact CD-OD2 3.5Å; K73-D98 VanDerWaalsContact CE-OD2 3.24Å; K73-D98 WeakPolarHBondContact CE-OD2 3.4Å; K73-D98 IonicContact NZ-OD2 2.8Å; K73-D98 PolarHBondContact NZ-OD2 3.3Å; V74-D98 CarbonylContact O-C 3.56Å; V74-D98 WeakPolarHBondContact O-CA 3.49Å; S75-D98 WeakPolarHBondContact CA-OD1 3.43Å; S75-D98 WeakPolarHBondContact CB-OD1 3.42Å; S75-D98 PolarHBondContact OG-OD1 3.18Å; L94-D98 HydrophobicContact CB-CB 4.17Å; L94-D98 HydrophobicContact CD2-CB 4.01Å; G95-D98 VanDerWaalsContact N-CG 3.33Å; G95-D98 PolarHBondContact N-OD2 3.43Å; G95-D98 WeakPolarHBondContact O-CB 3.4Å; G95-D98 PolarHBondContact O-N 2.79Å; D98-R141 PolarHBondContact O-NH1 3.27Å
99	I	94.3	Very high	89.3	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116	175.9	-47.7	162.5	0	0	0	107.4	K73 V74 L101 C103 L104 L135 I143	K73-I99 CarbonylContact C-O 3.37Å; K73-I99 WeakPolarHBondContact CA-O 3.49Å; K73-I99 VanDerWaalsContact CB-O 3.25Å; K73-I99 WeakPolarHBondContact CB-O 3.22Å; V74-I99 HydrophobicContact CB-CB 4.5Å; V74-I99 PolarHBondContact N-O 3.47Å; V74-I99 PolarHBondContact O-N 3.21Å; I99-L101 PolarHBondContact O-N 3.16Å; I99-C103 HydrophobicContact CG2-CB 4.18Å; I99-L104 HydrophobicContact CG2-CD2 3.79Å; I99-L104 HydrophobicContact CG2-CG 4.2Å; I99-L135 HydrophobicContact CD1-CD1 3.85Å; I99-I143 HydrophobicContact CD1-CD1 3.38Å; I99-I143 HydrophobicContact CG1-CD1 3.9Å
100	S	95.1	Very high	90.4	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	137.5	170.5	176	0	0	0	0	110	T102 C103 W482	S100-T102 PolarHBondContact O-N 2.82Å; S100-T102 PolarHBondContact OG-OG1 3.03Å; S100-C103 WeakPolarHBondContact O-CA 3.43Å; S100-C103 WeakPolarHBondContact O-CB 3.38Å; S100-C103 PolarHBondContact O-N 2.87Å; S100-W482 VanDerWaalsContact CB-O 3.3Å; S100-W482 WeakPolarHBondContact CB-O 3.44Å; S100-W482 PolarHBondContact OG-O 3.44Å
101	L	95.2	Very high	90.9	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.042	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60	-34.9	-178.2	-74.5	167.4	0	0	0	112.7	T70 F72 V74 I99 C103 L104	T70-L101 WeakPolarHBondContact O-CD1 3.31Å; F72-L101 WeakPolarHBondContact O-CG 3.3Å; F72-L101 PolarHBondContact O-N 3.13Å; V74-L101 HydrophobicContact CG2-CD2 3.95Å; I99-L101 PolarHBondContact O-N 3.16Å; L101-C103 PolarHBondContact O-N 2.89Å; L101-L104 HydrophobicContact CD2-CD1 4.07Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.12Å; L101-L104 VanDerWaalsContact O-N 3.13Å
102	T	93.9	Very high	90	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.055	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72.2	-11.9	176.1	46.9	0	0	0	0	113.6	S100 L174 H437 W482 P484	S100-T102 PolarHBondContact O-N 2.82Å; S100-T102 PolarHBondContact OG-OG1 3.03Å; T102-L174 HydrophobicContact CG2-CD2 3.63Å; T102-H437 HydrophobicContact CG2-CB 4.49Å; T102-W482 PolarHBondContact OG1-O 3.09Å; T102-P484 HydrophobicContact CG2-CB 4.15Å; T102-P484 HydrophobicContact CG2-CG 3.89Å; T102-P484 VanDerWaalsContact OG1-CD 3.32Å; T102-P484 WeakPolarHBondContact OG1-CD 3.13Å
103	C	94.9	Very high	88.7	Confident	3 Å²	3	31 Å²	31	2%	0.02	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-82.2	-18.4	171.5	-167.2	0	0	0	0	111.8	I99 S100 L101 D105 C137 K138 D139 W482	I99-C103 HydrophobicContact CG2-CB 4.18Å; S100-C103 WeakPolarHBondContact O-CA 3.43Å; S100-C103 WeakPolarHBondContact O-CB 3.38Å; S100-C103 PolarHBondContact O-N 2.87Å; L101-C103 PolarHBondContact O-N 2.89Å; C103-D105 PolarHBondContact O-N 3.34Å; C103-C137 CarbonylContact O-C 3.58Å; C103-C137 VanDerWaalsContact O-CA 3.32Å; C103-C137 WeakPolarHBondContact O-CA 3.36Å; C103-K138 PolarHBondContact O-N 3.3Å; C103-D139 VanDerWaalsContact SG-CB 3.55Å; C103-W482 HydrophobicContact CB-CB 3.73Å; C103-W482 HydrophobicContact CB-CG 4.34Å
104	L	95.1	Very high	87.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	125	178.7	-65.9	174.4	0	0	0	110.3	V74 I99 L101 V107 L135 I162	V74-L104 HydrophobicContact CG2-CD1 3.92Å; I99-L104 HydrophobicContact CG2-CD2 3.79Å; I99-L104 HydrophobicContact CG2-CG 4.2Å; L101-L104 HydrophobicContact CD2-CD1 4.07Å; L101-L104 WeakPolarHBondContact O-CB 3.29Å; L101-L104 PolarHBondContact O-N 3.12Å; L101-L104 VanDerWaalsContact O-N 3.13Å; L104-V107 HydrophobicContact CD1-CG2 4.48Å; L104-L135 HydrophobicContact CD2-CB 3.92Å; L104-L135 HydrophobicContact CD2-CD1 4.05Å; L104-L135 HydrophobicContact CD2-CD2 4.26Å; L104-L135 HydrophobicContact CD2-CG 4.3Å; L104-I162 HydrophobicContact CD1-CG2 3.61Å
105	D	92.1	Very high	86.4	Confident	15 Å²	15	40.6 Å²	40.6	8%	0.08	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-49.9	177	-166.7	33.2	0	0	0	111.7	C103 Y136 K138 R335 K439	C103-D105 PolarHBondContact O-N 3.34Å; D105-Y136 WeakPolarHBondContact CA-O 3.4Å; D105-Y136 WeakPolarHBondContact CB-O 3.45Å; D105-Y136 PolarHBondContact N-O 3.09Å; D105-K138 HydrophobicContact CB-CG 3.87Å; D105-R335 IonicContact OD2-CZ 3.19Å; D105-R335 IonicContact OD2-NH1 2.75Å; D105-R335 PolarHBondContact OD2-NH1 2.63Å; D105-R335 IonicContact OD2-NH2 2.72Å; D105-R335 PolarHBondContact OD2-NH2 2.97Å; D105-K439 PolarHBondContact O-NZ 3.44Å; D105-K439 IonicContact OD1-NZ 3.73Å; D105-K439 PolarHBondContact OD1-NZ 2.83Å
106	Q	92.6	Very high	86.2	Confident	80 Å²	80	44.9 Å²	44.9	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.4	177	-56.2	-177.1	20.9	0	0	111.1	V108 Y136	Q106-V108 HydrophobicContact CB-CG2 4.23Å; Q106-Y136 HydrophobicContact CB-CD2 4.1Å; Q106-Y136 HydrophobicContact CB-CG 4.49Å; Q106-Y136 PolarHBondContact N-O 3.41Å; Q106-Y136 VanDerWaalsContact N-O 3.12Å; Q106-Y136 PolarHBondContact O-N 3.16Å
107	V	95.1	Very high	86.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110	174.5	-175.9	0	0	0	0	107.2	L104 L120 L133 L135 I162 A163	L104-V107 HydrophobicContact CD1-CG2 4.48Å; V107-L120 HydrophobicContact CB-CB 4.39Å; V107-L120 HydrophobicContact CG1-CB 4.36Å; V107-L120 HydrophobicContact CG1-CD1 4.36Å; V107-L120 PolarHBondContact O-N 3.33Å; V107-L133 HydrophobicContact CG1-CD1 3.69Å; V107-L135 HydrophobicContact CB-CD2 4.4Å; V107-L135 HydrophobicContact CG1-CD2 3.99Å; V107-L135 HydrophobicContact CG2-CD2 4.22Å; V107-I162 HydrophobicContact CG1-CG2 4.17Å; V107-I162 HydrophobicContact CG2-CG2 3.95Å; V107-A163 HydrophobicContact CB-CB 4.38Å; V107-A163 HydrophobicContact CG1-CB 4.25Å
108	V	93.9	Very high	86.7	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132	-172.9	-177.9	0	0	0	0	110	Q106 K117 K118 V119 L133 I134 Y136	Q106-V108 HydrophobicContact CB-CG2 4.23Å; V108-K117 HydrophobicContact CG1-CB 3.9Å; V108-K117 HydrophobicContact CG1-CG 4.44Å; V108-K118 WeakPolarHBondContact CA-O 3.45Å; V108-V119 HydrophobicContact CG2-CG2 4.08Å; V108-L133 CarbonylContact O-C 3.56Å; V108-L133 WeakPolarHBondContact O-CA 3.38Å; V108-I134 HydrophobicContact CB-CB 4.21Å; V108-I134 PolarHBondContact N-O 3.15Å; V108-I134 PolarHBondContact O-N 2.87Å; V108-Y136 HydrophobicContact CB-CE2 4.3Å; V108-Y136 HydrophobicContact CG2-CD2 3.91Å; V108-Y136 HydrophobicContact CG2-CE2 3.76Å
109	T	93.8	Very high	86.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	145.8	174.8	50	0	0	0	0	111	K117 K118 L120 L126 P130 E132 L133 C159	T109-K117 CarbonylContact O-C 3.57Å; T109-K117 WeakPolarHBondContact O-CA 3.33Å; T109-K118 PolarHBondContact N-O 2.85Å; T109-K118 PolarHBondContact O-N 3.22Å; T109-K118 PolarHBondContact OG1-O 3.27Å; T109-L120 HydrophobicContact CG2-CD1 3.5Å; T109-L120 VanDerWaalsContact CG2-CD1 3.5Å; T109-L120 HydrophobicContact CG2-CG 4.07Å; T109-L126 HydrophobicContact CG2-CD2 4.41Å; T109-P130 HydrophobicContact CG2-CB 3.99Å; T109-E132 WeakPolarHBondContact CA-O 3.44Å; T109-L133 HydrophobicContact CG2-CD1 4.31Å; T109-C159 HydrophobicContact CG2-CB 3.97Å
110	V	90.1	Very high	86.5	Confident	13 Å²	13	50.3 Å²	50.3	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.1	178.6	-164.2	0	0	0	0	110.1	K117 M131 E132 I134	V110-K117 HydrophobicContact CG2-CG 4.15Å; V110-M131 PolarHBondContact O-N 3.06Å; V110-E132 HydrophobicContact CB-CB 3.84Å; V110-E132 HydrophobicContact CG2-CB 3.95Å; V110-E132 HydrophobicContact CG2-CG 4.44Å; V110-E132 PolarHBondContact N-O 3.05Å; V110-E132 PolarHBondContact O-N 3.45Å; V110-I134 HydrophobicContact CG2-CD1 3.98Å; V110-I134 HydrophobicContact CG2-CG1 4.41Å
111	N	85.1	Confident	86	Confident	42 Å²	42	51 Å²	51	23%	0.225	26%	0.263	C	S	.	.			trans	-104.2	140.6	176.1	-172	2.4	0	0	0	111.1	T113 G115 K116 F128	N111-T113 PolarHBondContact O-N 3.45Å; N111-G115 PolarHBondContact O-N 3.13Å; N111-G115 VanDerWaalsContact O-N 3.16Å; N111-K116 PolarHBondContact N-O 2.73Å; N111-F128 HydrophobicContact CB-CD2 3.59Å; N111-F128 HydrophobicContact CB-CE2 3.69Å; N111-F128 HydrophobicContact CB-CG 4.06Å; N111-F128 HydrophobicContact CB-CZ 4.21Å
112	D	67.4	Low	85.3	Confident	122 Å²	122	52.7 Å²	52.7	65%	0.652	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-52.6	179.8	-163.3	4.5	0	0	0	113.4	R114 M131	D112-R114 VanDerWaalsContact C-N 3.27Å; D112-R114 PolarHBondContact O-N 3.41Å; D112-M131 HydrophobicContact CB-CG 3.64Å; D112-M131 HydrophobicContact CB-SD 4.49Å
113	T	60.4	Low	84.6	Confident	108 Å²	108	58.7 Å²	58.7	66%	0.663	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.4	-162.8	54.1	0	0	0	0	116.3	N111	N111-T113 PolarHBondContact O-N 3.45Å
114	R	59.6	Low	84.1	Confident	192 Å²	192	62.3 Å²	62.3	73%	0.725	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-152.6	5.1	-176	-60.7	-171.9	-163.3	-162.2	5.3	115.2	D112 K116	D112-R114 VanDerWaalsContact C-N 3.27Å; D112-R114 PolarHBondContact O-N 3.41Å; R114-K116 HydrophobicContact CB-CD 4.36Å; R114-K116 HydrophobicContact CB-CG 3.96Å; R114-K116 PolarHBondContact O-N 3.37Å; R114-K116 VanDerWaalsContact O-N 3.11Å
115	G	69.9	Low	83.5	Confident	46 Å²	46	71 Å²	71	47%	0.474	36%	0.362	S	S	.	.			trans	60.6	19.5	-172.6	0	0	0	0	0	114.3	N111 K117	N111-G115 PolarHBondContact O-N 3.13Å; N111-G115 VanDerWaalsContact O-N 3.16Å; G115-K117 PolarHBondContact O-N 3.18Å; G115-K117 VanDerWaalsContact O-N 3.16Å
116	K	80.8	Confident	83.2	Confident	130 Å²	130	70.6 Å²	70.6	57%	0.565	36%	0.359	S	S	*	.			trans	-68.2	115	-177.5	-79.7	-176.3	176.3	-174.2	0	109.9	N111 R114	N111-K116 PolarHBondContact N-O 2.73Å; R114-K116 HydrophobicContact CB-CD 4.36Å; R114-K116 HydrophobicContact CB-CG 3.96Å; R114-K116 PolarHBondContact O-N 3.37Å; R114-K116 VanDerWaalsContact O-N 3.11Å
117	K	88.4	Confident	82.9	Confident	135 Å²	135	76.3 Å²	76.3	59%	0.587	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.4	173.3	-60.3	-174	178.6	-178.8	0	110.3	V108 T109 V110 G115	V108-K117 HydrophobicContact CG1-CB 3.9Å; V108-K117 HydrophobicContact CG1-CG 4.44Å; T109-K117 CarbonylContact O-C 3.57Å; T109-K117 WeakPolarHBondContact O-CA 3.33Å; V110-K117 HydrophobicContact CG2-CG 4.15Å; G115-K117 PolarHBondContact O-N 3.18Å; G115-K117 VanDerWaalsContact O-N 3.16Å
118	K	90.8	Very high	82.5	Confident	63 Å²	63	78.1 Å²	78.1	27%	0.274	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.9	172.5	-176.2	-178.6	177.8	-173.2	0	110	V108 T109 L120 K125 L126 F128	V108-K118 WeakPolarHBondContact CA-O 3.45Å; T109-K118 PolarHBondContact N-O 2.85Å; T109-K118 PolarHBondContact O-N 3.22Å; T109-K118 PolarHBondContact OG1-O 3.27Å; K118-L120 HydrophobicContact CD-CD2 4.33Å; K118-L120 HydrophobicContact CG-CD2 4.48Å; K118-K125 PolarHBondContact NZ-O 2.98Å; K118-L126 HydrophobicContact CD-CD1 3.94Å; K118-F128 HydrophobicContact CB-CE1 4.26Å; K118-F128 HydrophobicContact CB-CZ 4.21Å; K118-F128 HydrophobicContact CD-CE1 4.07Å
119	V	91.8	Very high	82.3	Confident	80 Å²	80	81.5 Å²	81.5	49%	0.485	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128.9	169.4	-172.3	0	0	0	0	108.9	V108 Q124	V108-V119 HydrophobicContact CG2-CG2 4.08Å; V119-Q124 PolarHBondContact O-OE1 2.98Å
120	L	90.3	Very high	82.2	Confident	1 Å²	1	81.5 Å²	81.5	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127	175.8	-60.7	-175.1	0	0	0	109.9	V107 T109 K118 L126 C159 A163	V107-L120 HydrophobicContact CB-CB 4.39Å; V107-L120 HydrophobicContact CG1-CB 4.36Å; V107-L120 HydrophobicContact CG1-CD1 4.36Å; V107-L120 PolarHBondContact O-N 3.33Å; T109-L120 HydrophobicContact CG2-CD1 3.5Å; T109-L120 VanDerWaalsContact CG2-CD1 3.5Å; T109-L120 HydrophobicContact CG2-CG 4.07Å; K118-L120 HydrophobicContact CD-CD2 4.33Å; K118-L120 HydrophobicContact CG-CD2 4.48Å; L120-L126 HydrophobicContact CD2-CD1 3.9Å; L120-C159 HydrophobicContact CD1-CB 4Å; L120-A163 HydrophobicContact CB-CB 3.62Å; L120-A163 HydrophobicContact CD1-CB 4.35Å
121	G	84.3	Confident	82.2	Confident	18 Å²	18	83.6 Å²	83.6	19%	0.186	42%	0.418	C	S	.	.			trans	-108.6	-179.5	167.4	0	0	0	0	0	111.9	Q124	G121-Q124 VanDerWaalsContact N-CD 3.33Å
122	S	81.6	Confident	82.6	Confident	44 Å²	44	83.4 Å²	83.4	31%	0.308	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.1	176	-164.4	0	0	0	0	111.8	Q124	S122-Q124 PolarHBondContact O-N 3.19Å
123	N	79.1	Confident	83.9	Confident	134 Å²	134	77.6 Å²	77.6	72%	0.717	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	15	174.7	-55.5	-34	0	0	0	116.1	H164	N123-H164 PolarHBondContact OD1-ND1 2.67Å
124	Q	83.3	Confident	85.4	Confident	80 Å²	80	72.5 Å²	72.5	37%	0.374	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-76.8	145.4	175.6	-68	-169.2	5	0	0	112.1	V119 G121 S122 L160	V119-Q124 PolarHBondContact O-OE1 2.98Å; G121-Q124 VanDerWaalsContact N-CD 3.33Å; S122-Q124 PolarHBondContact O-N 3.19Å; Q124-L160 WeakPolarHBondContact O-CD2 3.35Å
125	K	83.6	Confident	87.1	Confident	183 Å²	183	63.4 Å²	63.4	80%	0.796	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-91.1	136	170	-64.3	-176.6	-178.6	-179.9	0	110.7	K118	K118-K125 PolarHBondContact NZ-O 2.98Å
126	L	85.6	Confident	88.2	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.031	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-94.8	120.2	171.6	-163.3	59.6	0	0	0	110	T109 K118 L120 F128 P130 K156 L160	T109-L126 HydrophobicContact CG2-CD2 4.41Å; K118-L126 HydrophobicContact CD-CD1 3.94Å; L120-L126 HydrophobicContact CD2-CD1 3.9Å; L126-F128 HydrophobicContact CD1-CD1 3.91Å; L126-F128 HydrophobicContact CD1-CE1 3.43Å; L126-F128 VanDerWaalsContact CD1-CE1 3.43Å; L126-F128 HydrophobicContact CD1-CE2 4.11Å; L126-F128 HydrophobicContact CD1-CG 4.43Å; L126-F128 HydrophobicContact CD1-CZ 3.55Å; L126-F128 HydrophobicContact CD2-CE2 4.4Å; L126-F128 HydrophobicContact CG-CD1 4.39Å; L126-F128 HydrophobicContact CG-CE1 4.32Å; L126-F128 HydrophobicContact CG-CE2 4.46Å; L126-F128 HydrophobicContact CG-CG 4.5Å; L126-F128 HydrophobicContact CG-CZ 4.36Å; L126-F128 WeakPolarHBondContact CG-O 3.36Å; L126-P130 HydrophobicContact CD2-CB 4.18Å; L126-P130 HydrophobicContact CD2-CG 3.98Å; L126-K156 HydrophobicContact CB-CG 4.39Å; L126-K156 HydrophobicContact CD2-CG 4.3Å; L126-K156 WeakPolarHBondContact O-CE 3.44Å; L126-K156 PolarHBondContact O-NZ 3.45Å; L126-L160 HydrophobicContact CB-CD2 4.21Å
127	K	85.3	Confident	88.7	Confident	201 Å²	201	58.2 Å²	58.2	87%	0.874	28%	0.283	S	S	*	.			trans	-87.3	-6.9	-176.4	-65.2	-174.3	179.6	-178	0	113.7
128	F	88.1	Confident	88.9	Confident	39 Å²	39	52 Å²	52	17%	0.171	26%	0.256	C	S	.	.	S	Bend	trans	-130.3	170	-179.5	62.6	-93.3	0	0	0	110.1	N111 K118 L126 P130	N111-F128 HydrophobicContact CB-CD2 3.59Å; N111-F128 HydrophobicContact CB-CE2 3.69Å; N111-F128 HydrophobicContact CB-CG 4.06Å; N111-F128 HydrophobicContact CB-CZ 4.21Å; K118-F128 HydrophobicContact CB-CE1 4.26Å; K118-F128 HydrophobicContact CB-CZ 4.21Å; K118-F128 HydrophobicContact CD-CE1 4.07Å; L126-F128 HydrophobicContact CD1-CD1 3.91Å; L126-F128 HydrophobicContact CD1-CE1 3.43Å; L126-F128 VanDerWaalsContact CD1-CE1 3.43Å; L126-F128 HydrophobicContact CD1-CE2 4.11Å; L126-F128 HydrophobicContact CD1-CG 4.43Å; L126-F128 HydrophobicContact CD1-CZ 3.55Å; L126-F128 HydrophobicContact CD2-CE2 4.4Å; L126-F128 HydrophobicContact CG-CD1 4.39Å; L126-F128 HydrophobicContact CG-CE1 4.32Å; L126-F128 HydrophobicContact CG-CE2 4.46Å; L126-F128 HydrophobicContact CG-CG 4.5Å; L126-F128 HydrophobicContact CG-CZ 4.36Å; L126-F128 WeakPolarHBondContact CG-O 3.36Å; F128-P130 HydrophobicContact CE2-CB 4.43Å
129	N	88.8	Confident	88.9	Confident	75 Å²	75	49.3 Å²	49.3	40%	0.401	25%	0.245	S	C	.	.			trans	-91.4	121.5	172.2	-64.5	-25.3	0	0	0	108.5	P152	N129-P152 HydrophobicContact CB-CB 3.96Å
130	P	91.5	Very high	88.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.			trans	-70.5	134.1	-177.1	29.9	-31.8	0	0	0	109.9	T109 L126 F128 F147 A155	T109-P130 HydrophobicContact CG2-CB 3.99Å; L126-P130 HydrophobicContact CD2-CB 4.18Å; L126-P130 HydrophobicContact CD2-CG 3.98Å; F128-P130 HydrophobicContact CE2-CB 4.43Å; P130-F147 HydrophobicContact CB-CD2 4.35Å; P130-F147 HydrophobicContact CB-CE2 4.38Å; P130-F147 HydrophobicContact CG-CD2 4.38Å; P130-F147 HydrophobicContact CG-CE2 4.38Å; P130-F147 WeakPolarHBondContact O-CD2 3.44Å; P130-A155 HydrophobicContact CG-CB 4.22Å
131	M	90.9	Very high	88.6	Confident	56 Å²	56	47.2 Å²	47.2	28%	0.276	23%	0.228	S	C	.	.	S	Bend	trans	-93.6	-28.6	168.6	-66.8	-67	84.3	0	0	111.8	V110 D112 C146 F147	V110-M131 PolarHBondContact O-N 3.06Å; D112-M131 HydrophobicContact CB-CG 3.64Å; D112-M131 HydrophobicContact CB-SD 4.49Å; M131-C146 CarbonylContact O-C 3.57Å; M131-C146 WeakPolarHBondContact O-CA 3.25Å; M131-F147 PolarHBondContact O-N 3.47Å
132	E	92.6	Very high	88.7	Confident	39 Å²	39	48 Å²	48	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.8	178.9	-163.5	-172.1	167.3	0	0	110.2	T109 V110 I134 R144 F145	T109-E132 WeakPolarHBondContact CA-O 3.44Å; V110-E132 HydrophobicContact CB-CB 3.84Å; V110-E132 HydrophobicContact CG2-CB 3.95Å; V110-E132 HydrophobicContact CG2-CG 4.44Å; V110-E132 PolarHBondContact N-O 3.05Å; V110-E132 PolarHBondContact O-N 3.45Å; E132-I134 HydrophobicContact CG-CG1 4.16Å; E132-I134 WeakPolarHBondContact OE1-CG1 3.37Å; E132-R144 WeakPolarHBondContact OE1-CD 3.49Å; E132-F145 CarbonylContact C-O 3.57Å; E132-F145 VanDerWaalsContact CA-O 3.23Å; E132-F145 WeakPolarHBondContact CA-O 3.24Å; E132-F145 WeakPolarHBondContact CG-O 3.5Å
133	L	94.8	Very high	89.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	167.4	171	66.9	0	0	0	108.7	L67 V107 V108 T109 L135 R144 F145 F147 I162	L67-L133 HydrophobicContact CD2-CD2 3.93Å; V107-L133 HydrophobicContact CG1-CD1 3.69Å; V108-L133 CarbonylContact O-C 3.56Å; V108-L133 WeakPolarHBondContact O-CA 3.38Å; T109-L133 HydrophobicContact CG2-CD1 4.31Å; L133-L135 HydrophobicContact CD1-CD2 3.78Å; L133-L135 HydrophobicContact CD2-CD2 4.13Å; L133-L135 HydrophobicContact CD2-CG 4.38Å; L133-L135 HydrophobicContact CG-CD2 3.94Å; L133-L135 HydrophobicContact CG-CG 4.22Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.3Å; L133-F145 HydrophobicContact CB-CB 4.31Å; L133-F145 HydrophobicContact CD2-CD2 4.18Å; L133-F145 HydrophobicContact CG-CD2 4.45Å; L133-F145 PolarHBondContact N-O 3.36Å; L133-F145 PolarHBondContact O-N 3.03Å; L133-F147 HydrophobicContact CB-CE2 3.59Å; L133-F147 HydrophobicContact CB-CZ 3.7Å; L133-F147 HydrophobicContact CD2-CZ 4.19Å; L133-I162 HydrophobicContact CD2-CD1 3.85Å
134	I	93.3	Very high	89.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	175.1	-49	175.2	0	0	0	107.9	V108 V110 E132 Y136 V142 I143 R144	V108-I134 HydrophobicContact CB-CB 4.21Å; V108-I134 PolarHBondContact N-O 3.15Å; V108-I134 PolarHBondContact O-N 2.87Å; V110-I134 HydrophobicContact CG2-CD1 3.98Å; V110-I134 HydrophobicContact CG2-CG1 4.41Å; E132-I134 HydrophobicContact CG-CG1 4.16Å; E132-I134 WeakPolarHBondContact OE1-CG1 3.37Å; I134-Y136 HydrophobicContact CB-CE2 4.21Å; I134-Y136 HydrophobicContact CG2-CD2 4.05Å; I134-Y136 HydrophobicContact CG2-CE2 3.48Å; I134-Y136 VanDerWaalsContact CG2-CE2 3.48Å; I134-V142 HydrophobicContact CG2-CG1 3.89Å; I134-I143 CarbonylContact C-O 3.53Å; I134-I143 WeakPolarHBondContact CA-O 3.44Å; I134-R144 HydrophobicContact CG1-CG 4.17Å; I134-R144 HydrophobicContact CG2-CG 4.16Å
135	L	94.3	Very high	90.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.6	175.7	-59	-176.1	0	0	0	109	V74 I99 L104 V107 L133 V142 I143 F145 I162	V74-L135 HydrophobicContact CG1-CD1 4.18Å; I99-L135 HydrophobicContact CD1-CD1 3.85Å; L104-L135 HydrophobicContact CD2-CB 3.92Å; L104-L135 HydrophobicContact CD2-CD1 4.05Å; L104-L135 HydrophobicContact CD2-CD2 4.26Å; L104-L135 HydrophobicContact CD2-CG 4.3Å; V107-L135 HydrophobicContact CB-CD2 4.4Å; V107-L135 HydrophobicContact CG1-CD2 3.99Å; V107-L135 HydrophobicContact CG2-CD2 4.22Å; L133-L135 HydrophobicContact CD1-CD2 3.78Å; L133-L135 HydrophobicContact CD2-CD2 4.13Å; L133-L135 HydrophobicContact CD2-CG 4.38Å; L133-L135 HydrophobicContact CG-CD2 3.94Å; L133-L135 HydrophobicContact CG-CG 4.22Å; L135-V142 WeakPolarHBondContact O-CA 3.3Å; L135-I143 PolarHBondContact N-O 3.12Å; L135-I143 PolarHBondContact O-N 3.14Å; L135-F145 HydrophobicContact CD1-CD2 4.48Å; L135-F145 HydrophobicContact CD1-CE2 3.89Å; L135-F145 HydrophobicContact CG-CE2 4.46Å; L135-I162 HydrophobicContact CD2-CG2 4.16Å
136	Y	92.6	Very high	90.6	Very high	65 Å²	65	31.8 Å²	31.8	26%	0.255	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.7	169.4	-65.2	-90	0	0	0	108.3	D105 Q106 V108 I134 V142	D105-Y136 WeakPolarHBondContact CA-O 3.4Å; D105-Y136 WeakPolarHBondContact CB-O 3.45Å; D105-Y136 PolarHBondContact N-O 3.09Å; Q106-Y136 HydrophobicContact CB-CD2 4.1Å; Q106-Y136 HydrophobicContact CB-CG 4.49Å; Q106-Y136 PolarHBondContact N-O 3.41Å; Q106-Y136 VanDerWaalsContact N-O 3.12Å; Q106-Y136 PolarHBondContact O-N 3.16Å; V108-Y136 HydrophobicContact CB-CE2 4.3Å; V108-Y136 HydrophobicContact CG2-CD2 3.91Å; V108-Y136 HydrophobicContact CG2-CE2 3.76Å; I134-Y136 HydrophobicContact CB-CE2 4.21Å; I134-Y136 HydrophobicContact CG2-CD2 4.05Å; I134-Y136 HydrophobicContact CG2-CE2 3.48Å; I134-Y136 VanDerWaalsContact CG2-CE2 3.48Å; Y136-V142 HydrophobicContact CD1-CG1 4.15Å; Y136-V142 HydrophobicContact CD1-CG2 3.79Å; Y136-V142 HydrophobicContact CE1-CG1 3.91Å; Y136-V142 HydrophobicContact CE1-CG2 4.03Å
137	C	92.6	Very high	91	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.02	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.9	-176.7	-52.9	0	0	0	0	110.9	C103 D139 L140 R141	C103-C137 CarbonylContact O-C 3.58Å; C103-C137 VanDerWaalsContact O-CA 3.32Å; C103-C137 WeakPolarHBondContact O-CA 3.36Å; C137-D139 WeakPolarHBondContact CB-OD1 3.42Å; C137-D139 PolarHBondContact O-N 2.93Å; C137-L140 PolarHBondContact O-N 3.29Å; C137-R141 HydrophobicContact CB-CB 3.9Å; C137-R141 WeakPolarHBondContact CB-O 3.37Å; C137-R141 PolarHBondContact N-O 2.9Å
138	K	92.2	Very high	91.1	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.022	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.6	175.3	-65.1	-168.4	177.9	-135.4	0	112.5	C103 D105 L140 C435 E445 W482	C103-K138 PolarHBondContact O-N 3.3Å; D105-K138 HydrophobicContact CB-CG 3.87Å; K138-L140 PolarHBondContact O-N 3.02Å; K138-C435 PolarHBondContact NZ-O 2.81Å; K138-E445 IonicContact NZ-OE1 3.44Å; K138-E445 PolarHBondContact NZ-OE1 3.38Å; K138-E445 IonicContact NZ-OE2 3.59Å; K138-W482 HydrophobicContact CB-CD2 3.98Å; K138-W482 HydrophobicContact CB-CE3 4.09Å; K138-W482 HydrophobicContact CB-CH2 4Å; K138-W482 HydrophobicContact CB-CZ2 3.87Å; K138-W482 HydrophobicContact CB-CZ3 4.11Å; K138-W482 HydrophobicContact CD-CD2 4.34Å; K138-W482 HydrophobicContact CD-CE3 3.6Å; K138-W482 HydrophobicContact CD-CH2 3.69Å; K138-W482 HydrophobicContact CD-CZ2 4.4Å; K138-W482 HydrophobicContact CD-CZ3 3.22Å; K138-W482 HydrophobicContact CG-CE3 4.45Å; K138-W482 HydrophobicContact CG-CH2 4.45Å; K138-W482 HydrophobicContact CG-CZ3 4.29Å
139	D	90.1	Very high	91.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	17.2	179.6	82.7	-15.9	0	0	0	113.2	C103 C137 R141 R645 W646	C103-D139 VanDerWaalsContact SG-CB 3.55Å; C137-D139 WeakPolarHBondContact CB-OD1 3.42Å; C137-D139 PolarHBondContact O-N 2.93Å; D139-R141 VanDerWaalsContact C-N 3.31Å; D139-R141 VanDerWaalsContact CG-NE 3.33Å; D139-R141 PolarHBondContact O-N 3.26Å; D139-R141 WeakPolarHBondContact OD1-CB 3.38Å; D139-R141 WeakPolarHBondContact OD1-CG 3.45Å; D139-R141 PolarHBondContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.63Å; D139-R141 PolarHBondContact OD1-NE 2.78Å; D139-R141 VanDerWaalsContact OD1-NE 3.14Å; D139-R141 IonicContact OD2-CZ 3.03Å; D139-R141 IonicContact OD2-NE 3.99Å; D139-R141 PolarHBondContact OD2-NE 3.34Å; D139-R141 IonicContact OD2-NH2 3.89Å; D139-R141 PolarHBondContact OD2-NH2 3.43Å; D139-R645 PolarHBondContact O-NE 3.32Å; D139-R645 PolarHBondContact O-NH2 2.87Å; D139-R645 IonicContact OD2-NH2 3.02Å; D139-W646 PolarHBondContact O-NE1 2.9Å
140	L	88.8	Confident	91.2	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	75.6	3.5	176.6	-48.9	163.4	0	0	0	115.5	C137 K138 R335 T339 F642 F643	C137-L140 PolarHBondContact O-N 3.29Å; K138-L140 PolarHBondContact O-N 3.02Å; L140-R335 HydrophobicContact CD2-CB 3.76Å; L140-R335 HydrophobicContact CD2-CG 3.37Å; L140-T339 HydrophobicContact CB-CG2 4.35Å; L140-T339 WeakPolarHBondContact O-CG2 3.17Å; L140-F642 HydrophobicContact CD1-CD1 3.86Å; L140-F642 HydrophobicContact CD1-CE1 3.78Å; L140-F642 HydrophobicContact CD1-CG 4.49Å; L140-F642 HydrophobicContact CD1-CZ 4.35Å; L140-F642 WeakPolarHBondContact CD1-O 3.28Å; L140-F643 HydrophobicContact CD1-CD1 4.33Å
141	R	86.9	Confident	91.2	Very high	30 Å²	30	29 Å²	29	11%	0.113	15%	0.148	C	C	.	.			trans	-71.2	135.9	171.6	-67.4	-178.2	-74.6	179.1	-7.3	111.2	D98 C137 D139 I143 W646	D98-R141 PolarHBondContact O-NH1 3.27Å; C137-R141 HydrophobicContact CB-CB 3.9Å; C137-R141 WeakPolarHBondContact CB-O 3.37Å; C137-R141 PolarHBondContact N-O 2.9Å; D139-R141 VanDerWaalsContact C-N 3.31Å; D139-R141 VanDerWaalsContact CG-NE 3.33Å; D139-R141 PolarHBondContact O-N 3.26Å; D139-R141 WeakPolarHBondContact OD1-CB 3.38Å; D139-R141 WeakPolarHBondContact OD1-CG 3.45Å; D139-R141 PolarHBondContact OD1-N 3.17Å; D139-R141 IonicContact OD1-NE 2.63Å; D139-R141 PolarHBondContact OD1-NE 2.78Å; D139-R141 VanDerWaalsContact OD1-NE 3.14Å; D139-R141 IonicContact OD2-CZ 3.03Å; D139-R141 IonicContact OD2-NE 3.99Å; D139-R141 PolarHBondContact OD2-NE 3.34Å; D139-R141 IonicContact OD2-NH2 3.89Å; D139-R141 PolarHBondContact OD2-NH2 3.43Å; R141-I143 HydrophobicContact CB-CD1 4.18Å; R141-I143 HydrophobicContact CB-CG1 4.29Å; R141-W646 HydrophobicContact CG-CD2 3.5Å; R141-W646 VanDerWaalsContact CG-CD2 3.5Å; R141-W646 HydrophobicContact CG-CE3 4.16Å; R141-W646 HydrophobicContact CG-CG 3.7Å; R141-W646 HydrophobicContact CG-CH2 4.38Å; R141-W646 HydrophobicContact CG-CZ2 3.74Å; R141-W646 VanDerWaalsContact CG-NE1 3.27Å
142	V	87.4	Confident	91.1	Very high	35 Å²	35	29.4 Å²	29.4	21%	0.212	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.2	163.8	-176	0	0	0	0	107.3	I134 L135 Y136 T339	I134-V142 HydrophobicContact CG2-CG1 3.89Å; L135-V142 WeakPolarHBondContact O-CA 3.3Å; Y136-V142 HydrophobicContact CD1-CG1 4.15Å; Y136-V142 HydrophobicContact CD1-CG2 3.79Å; Y136-V142 HydrophobicContact CE1-CG1 3.91Å; Y136-V142 HydrophobicContact CE1-CG2 4.03Å; V142-T339 HydrophobicContact CG2-CG2 4.26Å
143	I	88.9	Confident	91.1	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.077	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.5	-175.1	-62.2	167.9	0	0	0	108.7	K51 I99 I134 L135 R141 F145	K51-I143 HydrophobicContact CD-CG2 4.43Å; K51-I143 HydrophobicContact CG-CG2 4.46Å; I99-I143 HydrophobicContact CD1-CD1 3.38Å; I99-I143 HydrophobicContact CG1-CD1 3.9Å; I134-I143 CarbonylContact C-O 3.53Å; I134-I143 WeakPolarHBondContact CA-O 3.44Å; L135-I143 PolarHBondContact N-O 3.12Å; L135-I143 PolarHBondContact O-N 3.14Å; R141-I143 HydrophobicContact CB-CD1 4.18Å; R141-I143 HydrophobicContact CB-CG1 4.29Å; I143-F145 HydrophobicContact CB-CE2 4.4Å; I143-F145 HydrophobicContact CG2-CD2 4.09Å; I143-F145 HydrophobicContact CG2-CE1 4.13Å; I143-F145 HydrophobicContact CG2-CE2 3.4Å; I143-F145 VanDerWaalsContact CG2-CE2 3.4Å; I143-F145 HydrophobicContact CG2-CZ 3.43Å; I143-F145 VanDerWaalsContact CG2-CZ 3.43Å
144	R	91.2	Very high	91	Very high	68 Å²	68	35.9 Å²	35.9	26%	0.257	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.2	-179.3	-56.8	-174.5	-173.6	-175.4	17.7	110.1	C52 E132 L133 I134 D341	C52-R144 HydrophobicContact CB-CB 4.08Å; C52-R144 PolarHBondContact N-O 3.37Å; E132-R144 WeakPolarHBondContact OE1-CD 3.49Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.3Å; I134-R144 HydrophobicContact CG1-CG 4.17Å; I134-R144 HydrophobicContact CG2-CG 4.16Å; R144-D341 IonicContact CZ-OD2 3.73Å; R144-D341 IonicContact NH2-OD2 2.95Å; R144-D341 PolarHBondContact NH2-OD2 3.34Å
145	F	93.6	Very high	91.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130	176	-62.8	-75.3	0	0	0	109.2	V49 R50 K51 L67 F76 E132 L133 L135 I143	V49-F145 HydrophobicContact CG1-CB 3.73Å; V49-F145 HydrophobicContact CG1-CD1 3.78Å; V49-F145 HydrophobicContact CG1-CG 4.12Å; R50-F145 CarbonylContact O-C 3.48Å; R50-F145 VanDerWaalsContact O-CA 3.26Å; R50-F145 WeakPolarHBondContact O-CA 3.43Å; K51-F145 HydrophobicContact CB-CD1 3.86Å; K51-F145 HydrophobicContact CB-CE1 3.79Å; K51-F145 HydrophobicContact CD-CE1 4.02Å; K51-F145 HydrophobicContact CG-CD1 4.21Å; K51-F145 HydrophobicContact CG-CE1 3.87Å; L67-F145 HydrophobicContact CD1-CD1 4.44Å; L67-F145 HydrophobicContact CD1-CD2 4.38Å; L67-F145 HydrophobicContact CD1-CE1 3.96Å; L67-F145 HydrophobicContact CD1-CE2 3.87Å; L67-F145 HydrophobicContact CD1-CZ 3.64Å; L67-F145 HydrophobicContact CD2-CD2 4.23Å; L67-F145 HydrophobicContact CD2-CE2 4.5Å; L67-F145 HydrophobicContact CD2-CG 4.31Å; F76-F145 HydrophobicContact CB-CE1 3.99Å; F76-F145 HydrophobicContact CB-CZ 4.17Å; F76-F145 HydrophobicContact CD2-CD1 4.19Å; F76-F145 AromaticContact CD2-CE1 3.58Å; F76-F145 HydrophobicContact CD2-CE1 3.58Å; F76-F145 HydrophobicContact CE2-CD1 4.47Å; F76-F145 HydrophobicContact CE2-CE1 4.21Å; F76-F145 AromaticContact CG-CE1 3.81Å; F76-F145 HydrophobicContact CG-CE1 3.81Å; F76-F145 HydrophobicContact CG-CZ 4.48Å; E132-F145 CarbonylContact C-O 3.57Å; E132-F145 VanDerWaalsContact CA-O 3.23Å; E132-F145 WeakPolarHBondContact CA-O 3.24Å; E132-F145 WeakPolarHBondContact CG-O 3.5Å; L133-F145 HydrophobicContact CB-CB 4.31Å; L133-F145 HydrophobicContact CD2-CD2 4.18Å; L133-F145 HydrophobicContact CG-CD2 4.45Å; L133-F145 PolarHBondContact N-O 3.36Å; L133-F145 PolarHBondContact O-N 3.03Å; L135-F145 HydrophobicContact CD1-CD2 4.48Å; L135-F145 HydrophobicContact CD1-CE2 3.89Å; L135-F145 HydrophobicContact CG-CE2 4.46Å; I143-F145 HydrophobicContact CB-CE2 4.4Å; I143-F145 HydrophobicContact CG2-CD2 4.09Å; I143-F145 HydrophobicContact CG2-CE1 4.13Å; I143-F145 HydrophobicContact CG2-CE2 3.4Å; I143-F145 VanDerWaalsContact CG2-CE2 3.4Å; I143-F145 HydrophobicContact CG2-CZ 3.43Å; I143-F145 VanDerWaalsContact CG2-CZ 3.43Å
146	C	93.6	Very high	91.1	Very high	13 Å²	13	38.8 Å²	38.8	9%	0.088	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144	172.1	-62.8	0	0	0	0	110.4	R50 C52 M131 D148	R50-C146 HydrophobicContact CB-CB 4.27Å; R50-C146 PolarHBondContact N-O 2.99Å; R50-C146 PolarHBondContact O-N 3.46Å; C52-C146 PolarHBondContact SG-SG 2.99Å; M131-C146 CarbonylContact O-C 3.57Å; M131-C146 WeakPolarHBondContact O-CA 3.25Å; C146-D148 WeakPolarHBondContact CB-OD2 3.44Å
147	F	93.8	Very high	91.2	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	21%	0.213	C	C	.	.			trans	-110	27	-176.1	-61.2	-58.9	0	0	0	112.2	V46 V49 L67 P130 M131 L133 E149 A150 A155 V158	V46-F147 HydrophobicContact CG1-CE1 4.19Å; V49-F147 HydrophobicContact CG1-CD1 4.21Å; V49-F147 HydrophobicContact CG1-CE1 4.02Å; V49-F147 HydrophobicContact CG2-CD1 3.98Å; V49-F147 HydrophobicContact CG2-CE1 3.95Å; L67-F147 HydrophobicContact CD2-CE1 4.38Å; L67-F147 HydrophobicContact CD2-CZ 4.48Å; P130-F147 HydrophobicContact CB-CD2 4.35Å; P130-F147 HydrophobicContact CB-CE2 4.38Å; P130-F147 HydrophobicContact CG-CD2 4.38Å; P130-F147 HydrophobicContact CG-CE2 4.38Å; P130-F147 WeakPolarHBondContact O-CD2 3.44Å; M131-F147 PolarHBondContact O-N 3.47Å; L133-F147 HydrophobicContact CB-CE2 3.59Å; L133-F147 HydrophobicContact CB-CZ 3.7Å; L133-F147 HydrophobicContact CD2-CZ 4.19Å; F147-E149 PolarHBondContact O-N 3.4Å; F147-E149 VanDerWaalsContact O-N 3.15Å; F147-A150 HydrophobicContact CB-CB 3.96Å; F147-A150 HydrophobicContact CD1-CB 3.99Å; F147-A150 HydrophobicContact CG-CB 4.44Å; F147-A150 PolarHBondContact O-N 2.84Å; F147-A155 HydrophobicContact CB-CB 3.97Å; F147-A155 HydrophobicContact CD1-CB 3.76Å; F147-A155 HydrophobicContact CD2-CB 3.87Å; F147-A155 HydrophobicContact CE1-CB 4.19Å; F147-A155 HydrophobicContact CE2-CB 4.26Å; F147-A155 HydrophobicContact CG-CB 3.59Å; F147-A155 HydrophobicContact CZ-CB 4.42Å; F147-V158 HydrophobicContact CE1-CG1 4.45Å; F147-V158 HydrophobicContact CZ-CG1 4.36Å
148	D	87.4	Confident	91.4	Very high	88 Å²	88	41 Å²	41	47%	0.471	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.2	-172.9	-50.4	-45.3	0	0	0	112.7	R50 C146	R50-D148 IonicContact CZ-OD2 3.32Å; R50-D148 IonicContact NE-OD2 3.03Å; R50-D148 PolarHBondContact NE-OD2 3.14Å; R50-D148 IonicContact NH2-OD2 2.75Å; R50-D148 PolarHBondContact NH2-OD2 2.85Å; C146-D148 WeakPolarHBondContact CB-OD2 3.44Å
149	E	88.2	Confident	91.6	Very high	127 Å²	127	40.7 Å²	40.7	59%	0.593	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	2.6	179.1	-62.3	-174.7	-165.9	0	0	113.3	F48 W64 F147	F48-E149 HydrophobicContact CB-CB 4.03Å; W64-E149 HydrophobicContact CH2-CB 4.17Å; W64-E149 HydrophobicContact CH2-CG 3.76Å; W64-E149 HydrophobicContact CZ3-CB 3.95Å; W64-E149 HydrophobicContact CZ3-CG 4.03Å; F147-E149 PolarHBondContact O-N 3.4Å; F147-E149 VanDerWaalsContact O-N 3.15Å
150	A	90.9	Very high	91.8	Very high	11 Å²	11	42.9 Å²	42.9	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	-85.6	148.1	-178.9	0	0	0	0	0	111.2	V46 N47 F147	V46-A150 HydrophobicContact CG2-CB 3.69Å; N47-A150 WeakPolarHBondContact O-CB 3.43Å; F147-A150 HydrophobicContact CB-CB 3.96Å; F147-A150 HydrophobicContact CD1-CB 3.99Å; F147-A150 HydrophobicContact CG-CB 4.44Å; F147-A150 PolarHBondContact O-N 2.84Å
151	G	90.6	Very high	92.1	Very high	35 Å²	35	43.1 Å²	43.1	36%	0.361	23%	0.225	S	C	.	.			trans	-59	126.8	173.6	0	0	0	0	0	111	E153 S154 A155	G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.2Å; G151-S154 WeakPolarHBondContact CA-OG 3.33Å; G151-S154 PolarHBondContact O-N 3.41Å; G151-S154 VanDerWaalsContact O-N 3.12Å; G151-S154 PolarHBondContact O-OG 3.17Å; G151-A155 PolarHBondContact O-N 3.13Å
152	P	90.4	Very high	92.6	Very high	63 Å²	63	41.7 Å²	41.7	41%	0.409	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-33.8	-172.7	21.6	-32.7	0	0	0	112.9	N129 K156	N129-P152 HydrophobicContact CB-CB 3.96Å; P152-K156 WeakPolarHBondContact O-CB 3.37Å; P152-K156 PolarHBondContact O-N 3.21Å
153	E	91.9	Very high	92.9	Very high	139 Å²	139	40 Å²	40	65%	0.65	21%	0.21	S	C	*	.	H	α-helix	trans	-69.5	-41.7	175.3	-65.2	-167.7	174.2	0	0	112.6	G151 K156 K157	G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.2Å; E153-K156 PolarHBondContact O-N 3.33Å; E153-K157 WeakPolarHBondContact O-CB 3.34Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 3.37Å
154	S	93.3	Very high	93.1	Very high	37 Å²	37	43.1 Å²	43.1	26%	0.259	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-43.3	175.9	36.9	0	0	0	0	111.7	G151 K156 K157 V158	G151-S154 WeakPolarHBondContact CA-OG 3.33Å; G151-S154 PolarHBondContact O-N 3.41Å; G151-S154 VanDerWaalsContact O-N 3.12Å; G151-S154 PolarHBondContact O-OG 3.17Å; S154-K156 VanDerWaalsContact C-N 3.3Å; S154-K156 PolarHBondContact O-N 3.45Å; S154-K157 PolarHBondContact O-N 3.41Å; S154-V158 PolarHBondContact O-N 3.15Å
155	A	94.3	Very high	93.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-58.7	-43.4	175	0	0	0	0	0	111.3	P130 F147 G151 V158 C159	P130-A155 HydrophobicContact CG-CB 4.22Å; F147-A155 HydrophobicContact CB-CB 3.97Å; F147-A155 HydrophobicContact CD1-CB 3.76Å; F147-A155 HydrophobicContact CD2-CB 3.87Å; F147-A155 HydrophobicContact CE1-CB 4.19Å; F147-A155 HydrophobicContact CE2-CB 4.26Å; F147-A155 HydrophobicContact CG-CB 3.59Å; F147-A155 HydrophobicContact CZ-CB 4.42Å; G151-A155 PolarHBondContact O-N 3.13Å; A155-V158 VanDerWaalsContact O-CG1 3.31Å; A155-V158 WeakPolarHBondContact O-CG1 3.27Å; A155-C159 WeakPolarHBondContact O-CB 3.42Å; A155-C159 PolarHBondContact O-N 2.9Å; A155-C159 VanDerWaalsContact O-N 3.13Å; A155-C159 PolarHBondContact O-SG 3.21Å
156	K	94.4	Very high	93.2	Very high	60 Å²	60	44 Å²	44	26%	0.261	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-45.1	174.5	-178.1	172.5	-179	173.5	0	112.6	L126 P152 E153 S154 L160	L126-K156 HydrophobicContact CB-CG 4.39Å; L126-K156 HydrophobicContact CD2-CG 4.3Å; L126-K156 WeakPolarHBondContact O-CE 3.44Å; L126-K156 PolarHBondContact O-NZ 3.45Å; P152-K156 WeakPolarHBondContact O-CB 3.37Å; P152-K156 PolarHBondContact O-N 3.21Å; E153-K156 PolarHBondContact O-N 3.33Å; S154-K156 VanDerWaalsContact C-N 3.3Å; S154-K156 PolarHBondContact O-N 3.45Å; K156-L160 HydrophobicContact CG-CD1 4.17Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.43Å; K156-L160 VanDerWaalsContact O-N 3.12Å
157	K	95	Very high	93	Very high	114 Å²	114	45.1 Å²	45.1	50%	0.496	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-45	179.7	-75	172	-175.1	171.6	0	111.9	E153 S154 L160 A161	E153-K157 WeakPolarHBondContact O-CB 3.34Å; E153-K157 VanDerWaalsContact O-CG 3.28Å; E153-K157 WeakPolarHBondContact O-CG 3.23Å; E153-K157 PolarHBondContact O-N 3.37Å; S154-K157 PolarHBondContact O-N 3.41Å; K157-L160 PolarHBondContact O-N 3.24Å; K157-A161 WeakPolarHBondContact O-CB 3.38Å; K157-A161 PolarHBondContact O-N 2.95Å
158	V	96.3	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-41.9	178.6	77.5	0	0	0	0	111.6	N44 V46 L67 C69 F147 S154 A155 L160 A161 I162	N44-V158 HydrophobicContact CB-CB 4.39Å; N44-V158 HydrophobicContact CB-CG2 4.32Å; N44-V158 PolarHBondContact OD1-N 2.97Å; V46-V158 HydrophobicContact CB-CG1 4.35Å; V46-V158 HydrophobicContact CG1-CB 4.13Å; V46-V158 HydrophobicContact CG1-CG1 3.59Å; V46-V158 HydrophobicContact CG1-CG2 4.36Å; L67-V158 HydrophobicContact CD2-CG1 4.4Å; L67-V158 HydrophobicContact CD2-CG2 4.47Å; C69-V158 HydrophobicContact CB-CG2 4.15Å; F147-V158 HydrophobicContact CE1-CG1 4.45Å; F147-V158 HydrophobicContact CZ-CG1 4.36Å; S154-V158 PolarHBondContact O-N 3.15Å; A155-V158 VanDerWaalsContact O-CG1 3.31Å; A155-V158 WeakPolarHBondContact O-CG1 3.27Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.16Å; V158-A161 PolarHBondContact O-N 3.14Å; V158-I162 HydrophobicContact CG2-CD1 4.05Å; V158-I162 HydrophobicContact CG2-CG1 4.38Å; V158-I162 VanDerWaalsContact O-CG1 3.28Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 3.12Å
159	C	96.2	Very high	92.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-42.3	177.7	-73	0	0	0	0	111.9	T109 L120 A155 A163	T109-C159 HydrophobicContact CG2-CB 3.97Å; L120-C159 HydrophobicContact CD1-CB 4Å; A155-C159 WeakPolarHBondContact O-CB 3.42Å; A155-C159 PolarHBondContact O-N 2.9Å; A155-C159 VanDerWaalsContact O-N 3.13Å; A155-C159 PolarHBondContact O-SG 3.21Å; C159-A163 WeakPolarHBondContact O-CB 3.42Å; C159-A163 PolarHBondContact O-N 2.74Å; C159-A163 VanDerWaalsContact O-N 3.1Å
160	L	95.4	Very high	92.7	Very high	51 Å²	51	42 Å²	42	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-38.3	176.2	-69.4	175.3	0	0	0	112.2	Q124 L126 K156 K157 V158 A163 H164	Q124-L160 WeakPolarHBondContact O-CD2 3.35Å; L126-L160 HydrophobicContact CB-CD2 4.21Å; K156-L160 HydrophobicContact CG-CD1 4.17Å; K156-L160 VanDerWaalsContact O-CG 3.29Å; K156-L160 WeakPolarHBondContact O-CG 3.36Å; K156-L160 PolarHBondContact O-N 3.43Å; K156-L160 VanDerWaalsContact O-N 3.12Å; K157-L160 PolarHBondContact O-N 3.24Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.16Å; L160-A163 PolarHBondContact O-N 3.25Å; L160-H164 WeakPolarHBondContact O-CB 3.31Å; L160-H164 PolarHBondContact O-N 2.62Å
161	A	95.4	Very high	92.5	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-49.2	175.9	0	0	0	0	0	111.4	V43 N44 C69 K157 V158 A163 H164 Y165	V43-A161 HydrophobicContact CG1-CB 3.9Å; N44-A161 HydrophobicContact CB-CB 3.79Å; C69-A161 HydrophobicContact CB-CB 4.43Å; K157-A161 WeakPolarHBondContact O-CB 3.38Å; K157-A161 PolarHBondContact O-N 2.95Å; V158-A161 PolarHBondContact O-N 3.14Å; A161-A163 VanDerWaalsContact C-N 3.32Å; A161-A163 PolarHBondContact O-N 3.23Å; A161-H164 PolarHBondContact O-N 3.15Å; A161-H164 VanDerWaalsContact O-N 3.16Å; A161-Y165 WeakPolarHBondContact O-CD2 3.33Å; A161-Y165 PolarHBondContact O-N 3.4Å
162	I	96.6	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-48.3	177	-66.5	170.4	0	0	0	110	L67 C69 V74 L104 V107 L133 L135 V158 H164 Y165 S166	L67-I162 HydrophobicContact CD2-CD1 4.31Å; C69-I162 HydrophobicContact CB-CG1 3.74Å; V74-I162 HydrophobicContact CG1-CD1 4.03Å; V74-I162 HydrophobicContact CG2-CB 4.49Å; V74-I162 HydrophobicContact CG2-CD1 4.03Å; V74-I162 HydrophobicContact CG2-CG1 3.86Å; V74-I162 HydrophobicContact CG2-CG2 3.88Å; L104-I162 HydrophobicContact CD1-CG2 3.61Å; V107-I162 HydrophobicContact CG1-CG2 4.17Å; V107-I162 HydrophobicContact CG2-CG2 3.95Å; L133-I162 HydrophobicContact CD2-CD1 3.85Å; L135-I162 HydrophobicContact CD2-CG2 4.16Å; V158-I162 HydrophobicContact CG2-CD1 4.05Å; V158-I162 HydrophobicContact CG2-CG1 4.38Å; V158-I162 VanDerWaalsContact O-CG1 3.28Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 3.12Å; I162-H164 VanDerWaalsContact C-N 3.34Å; I162-H164 PolarHBondContact O-N 2.97Å; I162-Y165 PolarHBondContact O-N 3.48Å; I162-S166 VanDerWaalsContact O-CB 3.26Å; I162-S166 WeakPolarHBondContact O-CB 3.28Å; I162-S166 PolarHBondContact O-N 2.9Å; I162-S166 PolarHBondContact O-OG 2.85Å; I162-S166 VanDerWaalsContact O-OG 3.12Å
163	A	94.5	Very high	92.3	Very high	1 Å²	1	46 Å²	46	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-36.1	179.1	0	0	0	0	0	113.4	V107 L120 C159 L160 A161 S166 H167	V107-A163 HydrophobicContact CB-CB 4.38Å; V107-A163 HydrophobicContact CG1-CB 4.25Å; L120-A163 HydrophobicContact CB-CB 3.62Å; L120-A163 HydrophobicContact CD1-CB 4.35Å; C159-A163 WeakPolarHBondContact O-CB 3.42Å; C159-A163 PolarHBondContact O-N 2.74Å; C159-A163 VanDerWaalsContact O-N 3.1Å; L160-A163 PolarHBondContact O-N 3.25Å; A161-A163 VanDerWaalsContact C-N 3.32Å; A161-A163 PolarHBondContact O-N 3.23Å; A163-S166 PolarHBondContact O-OG 2.9Å; A163-H167 PolarHBondContact O-ND1 2.72Å
164	H	93.2	Very high	92.2	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.366	21%	0.207	S	C	.	.	H	α-helix	trans	-70.5	-50.1	177.7	179.6	81.6	0	0	0	111.6	N123 L160 A161 I162 S166 H167	N123-H164 PolarHBondContact OD1-ND1 2.67Å; L160-H164 WeakPolarHBondContact O-CB 3.31Å; L160-H164 PolarHBondContact O-N 2.62Å; A161-H164 PolarHBondContact O-N 3.15Å; A161-H164 VanDerWaalsContact O-N 3.16Å; I162-H164 VanDerWaalsContact C-N 3.34Å; I162-H164 PolarHBondContact O-N 2.97Å; H164-S166 PolarHBondContact O-N 3.18Å; H164-H167 CarbonylContact O-C 3.6Å; H164-H167 PolarHBondContact O-N 3.21Å
165	Y	92.8	Very high	92	Very high	89 Å²	89	38.4 Å²	38.4	35%	0.349	20%	0.196	S	C	.	.	H	α-helix	trans	-77.1	-19.8	-174.5	-80.5	-94.3	0	0	0	113.6	V43 N71 A161 I162 H167	V43-Y165 HydrophobicContact CB-CE2 4.15Å; V43-Y165 HydrophobicContact CG1-CD2 3.79Å; V43-Y165 HydrophobicContact CG1-CE2 3.26Å; V43-Y165 HydrophobicContact CG2-CD1 4.32Å; V43-Y165 HydrophobicContact CG2-CD2 4.22Å; V43-Y165 HydrophobicContact CG2-CE1 3.86Å; V43-Y165 HydrophobicContact CG2-CE2 3.79Å; V43-Y165 HydrophobicContact CG2-CG 4.47Å; N71-Y165 HydrophobicContact CB-CD1 4.3Å; N71-Y165 HydrophobicContact CB-CE1 4.12Å; A161-Y165 WeakPolarHBondContact O-CD2 3.33Å; A161-Y165 PolarHBondContact O-N 3.4Å; I162-Y165 PolarHBondContact O-N 3.48Å; Y165-H167 PolarHBondContact O-N 3.44Å
166	S	93	Very high	91.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.021	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.3	170.7	75.6	0	0	0	0	114.1	I162 A163 H164 P168	I162-S166 VanDerWaalsContact O-CB 3.26Å; I162-S166 WeakPolarHBondContact O-CB 3.28Å; I162-S166 PolarHBondContact O-N 2.9Å; I162-S166 PolarHBondContact O-OG 2.85Å; I162-S166 VanDerWaalsContact O-OG 3.12Å; A163-S166 PolarHBondContact O-OG 2.9Å; H164-S166 PolarHBondContact O-N 3.18Å; S166-P168 VanDerWaalsContact C-CD 3.48Å
167	H	90.1	Very high	91.3	Very high	35 Å²	35	35.7 Å²	35.7	16%	0.162	18%	0.184	C	C	.	.	S	Bend	trans	-128.8	65.4	-179.4	-61.3	87.1	0	0	0	110.5	A163 H164 Y165 A169 K439	A163-H167 PolarHBondContact O-ND1 2.72Å; H164-H167 CarbonylContact O-C 3.6Å; H164-H167 PolarHBondContact O-N 3.21Å; Y165-H167 PolarHBondContact O-N 3.44Å; H167-A169 PolarHBondContact O-N 3.34Å; H167-K439 VanDerWaalsContact CD2-CB 3.4Å; H167-K439 WeakPolarHBondContact CD2-CB 3.38Å; H167-K439 VanDerWaalsContact CD2-CG 3.45Å; H167-K439 WeakPolarHBondContact CD2-CG 2.89Å
168	P	89.3	Confident	90.9	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.071	18%	0.176	C	C	.	.			trans	-63.6	132.8	-177.7	27.4	-34.4	0	0	0	111.1	S166 D170 L173 L174 L438	S166-P168 VanDerWaalsContact C-CD 3.48Å; P168-D170 VanDerWaalsContact C-N 3.27Å; P168-D170 PolarHBondContact O-N 3.26Å; P168-L173 HydrophobicContact CB-CB 4.11Å; P168-L174 HydrophobicContact CB-CD2 4.39Å; P168-L174 HydrophobicContact CG-CD2 3.69Å; P168-L438 HydrophobicContact CG-CD2 4.03Å
169	A	86.9	Confident	90.3	Very high	73 Å²	73	33.9 Å²	33.9	60%	0.603	18%	0.177	S	C	*	.	S	Bend	trans	-68.4	-27.9	-179.1	0	0	0	0	0	113.1	H167 L173 K440	H167-A169 PolarHBondContact O-N 3.34Å; A169-L173 HydrophobicContact CB-CD1 4.22Å; A169-K440 WeakPolarHBondContact O-CE 3.41Å; A169-K440 PolarHBondContact O-NZ 3.32Å
170	D	87.2	Confident	89.5	Confident	69 Å²	69	35.1 Å²	35.1	37%	0.369	18%	0.183	S	C	.	.	S	Bend	trans	-141.2	155.5	-176.9	-165.3	-87.5	0	0	0	111.4	P168 H172 L173	P168-D170 VanDerWaalsContact C-N 3.27Å; P168-D170 PolarHBondContact O-N 3.26Å; D170-H172 VanDerWaalsContact C-N 3.29Å; D170-H172 PolarHBondContact O-N 2.73Å; D170-H172 IonicContact OD1-CD2 3.61Å; D170-H172 PolarHBondContact OD1-CD2 2.89Å; D170-H172 VanDerWaalsContact OD1-CD2 3.25Å; D170-H172 IonicContact OD1-CG 2.79Å; D170-H172 PolarHBondContact OD1-N 3.32Å; D170-L173 HydrophobicContact CB-CD1 4.47Å; D170-L173 HydrophobicContact CB-CG 4.43Å; D170-L173 WeakPolarHBondContact O-CB 3.35Å; D170-L173 PolarHBondContact O-N 3.42Å
171	L	86.6	Confident	88.4	Confident	6 Å²	6	33 Å²	33	3%	0.031	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.6	-34	178.8	-159.2	83.1	0	0	0	112.4	L173 L174 F177 L432 L438 L490 F491 L500	L171-L173 PolarHBondContact O-N 3.03Å; L171-L173 VanDerWaalsContact O-N 3.12Å; L171-L174 HydrophobicContact CD1-CD1 3.44Å; L171-L174 VanDerWaalsContact CD1-CD1 3.44Å; L171-L174 HydrophobicContact CD1-CG 4.47Å; L171-L174 HydrophobicContact CG-CD1 3.95Å; L171-L174 VanDerWaalsContact O-CB 3.28Å; L171-L174 WeakPolarHBondContact O-CB 3.35Å; L171-L174 WeakPolarHBondContact O-CG 3.23Å; L171-L174 PolarHBondContact O-N 3.11Å; L171-F177 HydrophobicContact CD2-CE2 3.92Å; L171-F177 HydrophobicContact CD2-CZ 3.99Å; L171-F177 HydrophobicContact CG-CE2 3.92Å; L171-F177 HydrophobicContact CG-CZ 4.45Å; L171-F177 VanDerWaalsContact O-CD2 3.29Å; L171-F177 WeakPolarHBondContact O-CD2 3.39Å; L171-F177 VanDerWaalsContact O-CE2 3.26Å; L171-F177 WeakPolarHBondContact O-CE2 3.45Å; L171-L432 HydrophobicContact CD1-CD1 3.36Å; L171-L432 HydrophobicContact CD1-CD2 3.83Å; L171-L432 HydrophobicContact CD1-CG 4.23Å; L171-L438 HydrophobicContact CD1-CD2 4.15Å; L171-L490 HydrophobicContact CD1-CD1 4.39Å; L171-F491 HydrophobicContact CD2-CD1 3.82Å; L171-F491 HydrophobicContact CD2-CE1 3.47Å; L171-F491 VanDerWaalsContact CD2-CE1 3.47Å; L171-L500 HydrophobicContact CD2-CD1 3.42Å; L171-L500 VanDerWaalsContact CD2-CD1 3.42Å
172	H	86.6	Confident	87.3	Confident	71 Å²	71	34.8 Å²	34.8	33%	0.329	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.4	-17.5	177.9	-71.1	-67	0	0	0	113.5	D170 L174 F177	D170-H172 VanDerWaalsContact C-N 3.29Å; D170-H172 PolarHBondContact O-N 2.73Å; D170-H172 IonicContact OD1-CD2 3.61Å; D170-H172 PolarHBondContact OD1-CD2 2.89Å; D170-H172 VanDerWaalsContact OD1-CD2 3.25Å; D170-H172 IonicContact OD1-CG 2.79Å; D170-H172 PolarHBondContact OD1-N 3.32Å; H172-L174 VanDerWaalsContact C-N 3.3Å; H172-F177 AromaticContact ND1-CE1 3.97Å
173	L	88.6	Confident	86.1	Confident	116 Å²	116	39.5 Å²	39.5	61%	0.607	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-82.7	-7.2	175.5	-59.7	176.5	0	0	0	112.9	P168 A169 D170 L171	P168-L173 HydrophobicContact CB-CB 4.11Å; A169-L173 HydrophobicContact CB-CD1 4.22Å; D170-L173 HydrophobicContact CB-CD1 4.47Å; D170-L173 HydrophobicContact CB-CG 4.43Å; D170-L173 WeakPolarHBondContact O-CB 3.35Å; D170-L173 PolarHBondContact O-N 3.42Å; L171-L173 PolarHBondContact O-N 3.03Å; L171-L173 VanDerWaalsContact O-N 3.12Å
174	L	90.1	Very high	84.6	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-69	137	173	-66.7	178.4	0	0	0	110.5	T102 P168 L171 H172 G176 F177 P484 L490	T102-L174 HydrophobicContact CG2-CD2 3.63Å; P168-L174 HydrophobicContact CB-CD2 4.39Å; P168-L174 HydrophobicContact CG-CD2 3.69Å; L171-L174 HydrophobicContact CD1-CD1 3.44Å; L171-L174 VanDerWaalsContact CD1-CD1 3.44Å; L171-L174 HydrophobicContact CD1-CG 4.47Å; L171-L174 HydrophobicContact CG-CD1 3.95Å; L171-L174 VanDerWaalsContact O-CB 3.28Å; L171-L174 WeakPolarHBondContact O-CB 3.35Å; L171-L174 WeakPolarHBondContact O-CG 3.23Å; L171-L174 PolarHBondContact O-N 3.11Å; H172-L174 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 2.9Å; L174-F177 HydrophobicContact CB-CD2 4.48Å; L174-F177 PolarHBondContact O-N 2.82Å; L174-F177 VanDerWaalsContact O-N 3.14Å; L174-P484 HydrophobicContact CB-CB 4.41Å; L174-P484 HydrophobicContact CD1-CB 4.22Å; L174-P484 HydrophobicContact CD2-CB 4.43Å; L174-L490 HydrophobicContact CD1-CD1 3.66Å
175	F	90.3	Very high	83	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-51.8	-32.3	-176.9	177.5	-112.4	0	0	0	114.3	L37 E40 F72 F177 E178 Y179 L485	L37-F175 HydrophobicContact CB-CE1 4.13Å; L37-F175 HydrophobicContact CB-CZ 3.87Å; L37-F175 HydrophobicContact CD1-CE1 3.84Å; L37-F175 HydrophobicContact CD1-CZ 4.44Å; E40-F175 HydrophobicContact CB-CE2 3.89Å; E40-F175 HydrophobicContact CB-CZ 3.92Å; F72-F175 HydrophobicContact CB-CB 3.97Å; F72-F175 HydrophobicContact CB-CD1 3.6Å; F72-F175 HydrophobicContact CB-CD2 3.86Å; F72-F175 HydrophobicContact CB-CE1 4.03Å; F72-F175 HydrophobicContact CB-CE2 4.27Å; F72-F175 HydrophobicContact CB-CG 3.51Å; F72-F175 HydrophobicContact CB-CZ 4.35Å; F72-F175 HydrophobicContact CD1-CD1 4.08Å; F72-F175 HydrophobicContact CD1-CE1 4.04Å; F72-F175 HydrophobicContact CD2-CB 3.84Å; F72-F175 AromaticContact CD2-CD1 3.19Å; F72-F175 HydrophobicContact CD2-CD1 3.19Å; F72-F175 AromaticContact CD2-CE1 3.97Å; F72-F175 HydrophobicContact CD2-CE1 3.97Å; F72-F175 AromaticContact CD2-CG 3.72Å; F72-F175 HydrophobicContact CD2-CG 3.72Å; F72-F175 AromaticContact CE2-CD1 3.84Å; F72-F175 HydrophobicContact CE2-CD1 3.84Å; F72-F175 HydrophobicContact CE2-CE1 4.45Å; F72-F175 HydrophobicContact CG-CB 4.27Å; F72-F175 AromaticContact CG-CD1 3.34Å; F72-F175 HydrophobicContact CG-CD1 3.34Å; F72-F175 AromaticContact CG-CE1 3.74Å; F72-F175 HydrophobicContact CG-CE1 3.74Å; F72-F175 AromaticContact CG-CG 3.79Å; F72-F175 HydrophobicContact CG-CG 3.79Å; F72-F175 HydrophobicContact CG-CZ 4.48Å; F175-F177 PolarHBondContact O-N 2.71Å; F175-E178 PolarHBondContact O-N 2.47Å; F175-E178 VanDerWaalsContact O-N 3.12Å; F175-Y179 AromaticContact CE1-CD2 3.95Å; F175-Y179 HydrophobicContact CE1-CD2 3.95Å; F175-Y179 HydrophobicContact CE1-CG 4.09Å; F175-Y179 AromaticContact CZ-CD2 3.96Å; F175-Y179 HydrophobicContact CZ-CD2 3.96Å; F175-Y179 HydrophobicContact CZ-CG 4.35Å; F175-Y179 WeakPolarHBondContact O-CB 3.09Å; F175-Y179 PolarHBondContact O-N 2.79Å; F175-L485 HydrophobicContact CD1-CD2 3.57Å; F175-L485 HydrophobicContact CE1-CD2 3.89Å
176	G	87.6	Confident	81.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-57	-32	-179.4	0	0	0	0	0	115.1	L174 Q180 P484 F520	L174-G176 PolarHBondContact O-N 2.9Å; G176-Q180 VanDerWaalsContact O-CB 3.23Å; G176-Q180 WeakPolarHBondContact O-CB 3.34Å; G176-Q180 PolarHBondContact O-N 2.84Å; G176-P484 WeakPolarHBondContact CA-O 3.32Å; G176-P484 PolarHBondContact N-O 3.39Å; G176-F520 VanDerWaalsContact C-CZ 3.48Å
177	F	86.8	Confident	79.5	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-45.6	176.5	-76.2	-83.4	0	0	0	111.5	L171 H172 L174 F175 Q180 G181 F491 L501 F504 F520	L171-F177 HydrophobicContact CD2-CE2 3.92Å; L171-F177 HydrophobicContact CD2-CZ 3.99Å; L171-F177 HydrophobicContact CG-CE2 3.92Å; L171-F177 HydrophobicContact CG-CZ 4.45Å; L171-F177 VanDerWaalsContact O-CD2 3.29Å; L171-F177 WeakPolarHBondContact O-CD2 3.39Å; L171-F177 VanDerWaalsContact O-CE2 3.26Å; L171-F177 WeakPolarHBondContact O-CE2 3.45Å; H172-F177 AromaticContact ND1-CE1 3.97Å; L174-F177 HydrophobicContact CB-CD2 4.48Å; L174-F177 PolarHBondContact O-N 2.82Å; L174-F177 VanDerWaalsContact O-N 3.14Å; F175-F177 PolarHBondContact O-N 2.71Å; F177-Q180 PolarHBondContact O-N 3.12Å; F177-G181 PolarHBondContact O-N 3.27Å; F177-F491 HydrophobicContact CZ-CE1 4.39Å; F177-F491 HydrophobicContact CZ-CZ 4.49Å; F177-L501 HydrophobicContact CE1-CD2 4.47Å; F177-F504 HydrophobicContact CB-CD2 4.08Å; F177-F504 HydrophobicContact CB-CE2 3.8Å; F177-F504 HydrophobicContact CB-CZ 4.4Å; F177-F504 HydrophobicContact CD1-CB 3.99Å; F177-F504 HydrophobicContact CD1-CD1 4.32Å; F177-F504 AromaticContact CD1-CD2 3.56Å; F177-F504 HydrophobicContact CD1-CD2 3.56Å; F177-F504 HydrophobicContact CD1-CE2 4.08Å; F177-F504 AromaticContact CD1-CG 3.69Å; F177-F504 HydrophobicContact CD1-CG 3.69Å; F177-F504 HydrophobicContact CE1-CB 4.12Å; F177-F504 HydrophobicContact CE1-CD2 4.48Å; F177-F504 HydrophobicContact CE1-CG 4.29Å; F177-F504 HydrophobicContact CG-CD2 4.25Å; F177-F504 HydrophobicContact CG-CE2 4.43Å; F177-F504 WeakPolarHBondContact O-CZ 3.47Å; F177-F520 HydrophobicContact CB-CZ 4.46Å; F177-F520 AromaticContact CD1-CE2 3.85Å; F177-F520 HydrophobicContact CD1-CE2 3.85Å; F177-F520 AromaticContact CD1-CZ 3.85Å; F177-F520 HydrophobicContact CD1-CZ 3.85Å; F177-F520 AromaticContact CD2-CZ 3.86Å; F177-F520 HydrophobicContact CD2-CZ 3.86Å; F177-F520 AromaticContact CE1-CE2 3.81Å; F177-F520 HydrophobicContact CE1-CE2 3.81Å; F177-F520 AromaticContact CE1-CZ 3.98Å; F177-F520 HydrophobicContact CE1-CZ 3.98Å; F177-F520 AromaticContact CE2-CZ 3.95Å; F177-F520 HydrophobicContact CE2-CZ 3.95Å; F177-F520 HydrophobicContact CG-CE2 4.28Å; F177-F520 AromaticContact CG-CZ 3.81Å; F177-F520 HydrophobicContact CG-CZ 3.81Å; F177-F520 HydrophobicContact CZ-CE2 4.17Å; F177-F520 HydrophobicContact CZ-CZ 4.02Å
178	E	85.5	Confident	77.5	Confident	69 Å²	69	50.9 Å²	50.9	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-44.8	177.4	-170	58.4	-152	0	0	111.2	F175 Q180 G181 L182 K508	F175-E178 PolarHBondContact O-N 2.47Å; F175-E178 VanDerWaalsContact O-N 3.12Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.34Å; E178-G181 PolarHBondContact O-N 3.41Å; E178-L182 HydrophobicContact CG-CD1 4.42Å; E178-L182 PolarHBondContact O-N 3.01Å; E178-L182 VanDerWaalsContact O-N 3.12Å; E178-K508 IonicContact OE1-NZ 2.75Å; E178-K508 IonicContact OE2-NZ 2.92Å; E178-K508 PolarHBondContact OE2-NZ 3.09Å
179	Y	84.6	Confident	75.3	Confident	7 Å²	7	53.2 Å²	53.2	3%	0.027	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-45.4	176.7	-178.3	-107.5	0	0	0	112.4	L37 P38 F175 R183 L485	L37-Y179 HydrophobicContact CB-CD2 4.15Å; L37-Y179 HydrophobicContact CB-CE2 3.97Å; L37-Y179 HydrophobicContact CD1-CE2 4.26Å; L37-Y179 HydrophobicContact CD2-CE2 4.4Å; L37-Y179 HydrophobicContact CG-CE2 4.44Å; P38-Y179 HydrophobicContact CG-CE2 4.5Å; F175-Y179 AromaticContact CE1-CD2 3.95Å; F175-Y179 HydrophobicContact CE1-CD2 3.95Å; F175-Y179 HydrophobicContact CE1-CG 4.09Å; F175-Y179 AromaticContact CZ-CD2 3.96Å; F175-Y179 HydrophobicContact CZ-CD2 3.96Å; F175-Y179 HydrophobicContact CZ-CG 4.35Å; F175-Y179 WeakPolarHBondContact O-CB 3.09Å; F175-Y179 PolarHBondContact O-N 2.79Å; Y179-R183 PolarHBondContact O-N 3.48Å; Y179-R183 PolarHBondContact OH-NE 3.43Å; Y179-R183 PolarHBondContact OH-NH1 3.41Å; Y179-R183 PolarHBondContact OH-NH2 3.41Å; Y179-R183 VanDerWaalsContact OH-NH2 3.15Å; Y179-L485 HydrophobicContact CD1-CD2 3.78Å; Y179-L485 HydrophobicContact CE1-CD2 4.47Å; Y179-L485 HydrophobicContact CG-CD2 3.96Å
180	Q	78.4	Confident	73	Confident	27 Å²	27	56.9 Å²	56.9	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-72.6	-36.9	-179.1	-171.8	55.4	50.6	0	0	112.5	G176 F177 E178 R183 Y184 A518 I519 F520	G176-Q180 VanDerWaalsContact O-CB 3.23Å; G176-Q180 WeakPolarHBondContact O-CB 3.34Å; G176-Q180 PolarHBondContact O-N 2.84Å; F177-Q180 PolarHBondContact O-N 3.12Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.34Å; Q180-R183 PolarHBondContact O-N 3.2Å; Q180-Y184 PolarHBondContact O-N 3.17Å; Q180-Y184 VanDerWaalsContact O-N 3.17Å; Q180-A518 HydrophobicContact CG-CB 4.27Å; Q180-I519 PolarHBondContact NE2-O 3.41Å; Q180-I519 PolarHBondContact OE1-O 3.08Å; Q180-F520 HydrophobicContact CB-CE2 4.48Å; Q180-F520 HydrophobicContact CG-CD2 4.44Å
181	G	72.6	Confident	71.1	Confident	5 Å²	5	59.2 Å²	59.2	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-46.1	174.9	0	0	0	0	0	112.2	F177 E178 Y184 H185	F177-G181 PolarHBondContact O-N 3.27Å; E178-G181 PolarHBondContact O-N 3.41Å; G181-Y184 PolarHBondContact O-N 3.25Å; G181-H185 PolarHBondContact O-CD2 3.32Å; G181-H185 PolarHBondContact O-N 3.14Å
182	L	73.3	Confident	68.7	Low	50 Å²	50	65 Å²	65	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-68	-39.4	-179.9	-71.2	168.9	0	0	0	113	G39 E178 Y184 H185 Q186	G39-L182 VanDerWaalsContact N-CD1 3.34Å; E178-L182 HydrophobicContact CG-CD1 4.42Å; E178-L182 PolarHBondContact O-N 3.01Å; E178-L182 VanDerWaalsContact O-N 3.12Å; L182-Y184 VanDerWaalsContact C-N 3.3Å; L182-Y184 PolarHBondContact O-N 3.45Å; L182-H185 PolarHBondContact O-N 3.39Å; L182-Q186 WeakPolarHBondContact O-CG 3.45Å; L182-Q186 PolarHBondContact O-N 3.4Å
183	R	70.7	Confident	66.2	Low	99 Å²	99	67.7 Å²	67.7	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-35.9	176.9	-79.3	-163.1	157.8	-164.5	-4.3	113.1	Y179 Q180 H185 Q186 S187	Y179-R183 PolarHBondContact O-N 3.48Å; Y179-R183 PolarHBondContact OH-NE 3.43Å; Y179-R183 PolarHBondContact OH-NH1 3.41Å; Y179-R183 PolarHBondContact OH-NH2 3.41Å; Y179-R183 VanDerWaalsContact OH-NH2 3.15Å; Q180-R183 PolarHBondContact O-N 3.2Å; R183-H185 VanDerWaalsContact C-N 3.34Å; R183-H185 PolarHBondContact O-N 2.98Å; R183-Q186 PolarHBondContact O-N 2.93Å; R183-S187 PolarHBondContact O-N 2.97Å; R183-S187 VanDerWaalsContact O-N 3.09Å; R183-S187 PolarHBondContact O-OG 2.84Å
184	Y	63.6	Low	63.7	Low	23 Å²	23	66.7 Å²	66.7	9%	0.09	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-43.4	173.7	172.7	-94.2	0	0	0	112.2	Q180 G181 L182 S187 I510 H516	Q180-Y184 PolarHBondContact O-N 3.17Å; Q180-Y184 VanDerWaalsContact O-N 3.17Å; G181-Y184 PolarHBondContact O-N 3.25Å; L182-Y184 VanDerWaalsContact C-N 3.3Å; L182-Y184 PolarHBondContact O-N 3.45Å; Y184-S187 PolarHBondContact O-OG 3.15Å; Y184-I510 HydrophobicContact CD1-CD1 4.05Å; Y184-I510 HydrophobicContact CD1-CG1 3.97Å; Y184-I510 HydrophobicContact CD1-CG2 4.09Å; Y184-I510 HydrophobicContact CD2-CG2 4.37Å; Y184-I510 HydrophobicContact CE1-CB 4.27Å; Y184-I510 HydrophobicContact CE1-CG1 4.01Å; Y184-I510 HydrophobicContact CE1-CG2 3.61Å; Y184-I510 HydrophobicContact CE2-CG2 3.9Å; Y184-I510 HydrophobicContact CG-CD1 4.34Å; Y184-I510 HydrophobicContact CG-CG2 4.45Å; Y184-H516 HydrophobicContact CD2-CB 4.46Å; Y184-H516 HydrophobicContact CE2-CB 3.76Å; Y184-H516 WeakPolarHBondContact CE2-O 3.44Å
185	H	58.9	Low	60.9	Low	97 Å²	97	70.4 Å²	70.4	45%	0.449	40%	0.401	S	S	.	.	H	α-helix	trans	-73.8	-32.5	-179.9	-69.9	-67.7	0	0	0	113	G181 L182 R183	G181-H185 PolarHBondContact O-CD2 3.32Å; G181-H185 PolarHBondContact O-N 3.14Å; L182-H185 PolarHBondContact O-N 3.39Å; R183-H185 VanDerWaalsContact C-N 3.34Å; R183-H185 PolarHBondContact O-N 2.98Å
186	Q	58.1	Low	58.2	Low	114 Å²	114	76.1 Å²	76.1	53%	0.533	43%	0.433	S	S	.	.	H	α-helix	trans	-73.6	-32.4	178.9	-70.9	172.2	1.4	0	0	112.9	L182 R183 K188	L182-Q186 WeakPolarHBondContact O-CG 3.45Å; L182-Q186 PolarHBondContact O-N 3.4Å; R183-Q186 PolarHBondContact O-N 2.93Å; Q186-K188 PolarHBondContact O-N 2.83Å
187	S	53.8	Low	55.8	Low	56 Å²	56	81.8 Å²	81.8	39%	0.392	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-75.8	-0.1	-179.3	67.5	0	0	0	0	114.9	R183 Y184 G189	R183-S187 PolarHBondContact O-N 2.97Å; R183-S187 VanDerWaalsContact O-N 3.09Å; R183-S187 PolarHBondContact O-OG 2.84Å; Y184-S187 PolarHBondContact O-OG 3.15Å; S187-G189 PolarHBondContact O-N 2.84Å
188	K	48	Very low	53.7	Low	156 Å²	156	86 Å²	86	68%	0.678	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-68.4	-11.6	173.6	-96.5	-172.9	174	-176.1	0	114.1	Q186	Q186-K188 PolarHBondContact O-N 2.83Å
189	G	42.5	Very low	51.3	Low	60 Å²	60	86.9 Å²	86.9	62%	0.619	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-95.7	-20.1	-176	0	0	0	0	0	117.1	S187	S187-G189 PolarHBondContact O-N 2.84Å
190	D	40	Very low	49.1	Very low	149 Å²	149	89.7 Å²	89.7	80%	0.797	55%	0.55	S	S	*	*			trans	-114	16.6	-162	-74.9	-25.4	0	0	0	115.6	V192	D190-V192 PolarHBondContact O-N 3.39Å
191	L	45.8	Very low	47.7	Very low	118 Å²	118	92.2 Å²	92.2	62%	0.618	56%	0.564	S	S	*	*			trans	-97.1	54.9	178.8	-70	167.8	0	0	0	112.6
192	V	36.9	Very low	47.5	Very low	129 Å²	129	99.4 Å²	99.4	78%	0.782	60%	0.596	S	S	*	*	S	Bend	trans	-100.3	71.8	160.8	-171.5	0	0	0	0	107.8	D190	D190-V192 PolarHBondContact O-N 3.39Å
193	N	33.9	Very low	48.1	Very low	127 Å²	127	97.5 Å²	97.5	68%	0.679	59%	0.586	S	S	*	*	S	Bend	trans	160.6	114.2	154.3	-82.9	-26	0	0	0	107.7	S195	N193-S195 PolarHBondContact O-N 2.82Å
194	G	36.7	Very low	49	Very low	94 Å²	94	94.4 Å²	94.4	97%	0.969	58%	0.579	S	S	*	*			trans	-67.1	33.4	-178.6	0	0	0	0	0	115.7
195	S	31.1	Very low	50.4	Low	87 Å²	87	95.5 Å²	95.5	61%	0.608	59%	0.586	S	S	*	*			trans	-86.2	108	164.8	54	0	0	0	0	108.5	N193 P197	N193-S195 PolarHBondContact O-N 2.82Å; S195-P197 WeakPolarHBondContact O-CD 3.28Å; S195-P197 VanDerWaalsContact O-N 3.07Å
196	N	33.6	Very low	52	Low	128 Å²	128	91 Å²	91	68%	0.684	57%	0.565	S	S	*	*			trans	-46.9	117.2	161	-101.9	-21.4	0	0	0	108.2	N198	N196-N198 HydrophobicContact CB-CB 4.19Å; N196-N198 PolarHBondContact O-N 2.94Å
197	P	37.3	Very low	53.5	Low	120 Å²	120	89 Å²	89	78%	0.779	56%	0.558	S	S	*	*	S	Bend	trans	-66	-5.7	170.5	-11.5	26.7	0	0	0	111.3	S195 G199	S195-P197 WeakPolarHBondContact O-CD 3.28Å; S195-P197 VanDerWaalsContact O-N 3.07Å; P197-G199 PolarHBondContact O-N 3.23Å
198	N	41.8	Very low	55.3	Low	92 Å²	92	93.6 Å²	93.6	49%	0.492	57%	0.567	S	S	.	*			trans	-71.3	19.7	-175.5	-66.9	-18.4	0	0	0	115.2	N196 G200	N196-N198 HydrophobicContact CB-CB 4.19Å; N196-N198 PolarHBondContact O-N 2.94Å; N198-G200 PolarHBondContact O-N 2.78Å
199	G	34.8	Very low	57.6	Low	86 Å²	86	88.5 Å²	88.5	89%	0.887	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	9.4	176.6	0	0	0	0	0	115.7	P197	P197-G199 PolarHBondContact O-N 3.23Å
200	G	39.4	Very low	60.1	Low	67 Å²	67	88 Å²	88	69%	0.691	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	1.9	-169.6	0	0	0	0	0	117.6	N198 Q202	N198-G200 PolarHBondContact O-N 2.78Å; G200-Q202 PolarHBondContact O-N 3.49Å
201	I	49.5	Very low	62.7	Low	79 Å²	79	81.4 Å²	81.4	41%	0.405	50%	0.501	S	S	.	.			trans	-95.5	102	178	-51	170.8	0	0	0	108.8	K525	I201-K525 HydrophobicContact CD1-CD 4.35Å; I201-K525 HydrophobicContact CD1-CG 4.26Å
202	Q	68.4	Low	65.2	Low	156 Å²	156	76.6 Å²	76.6	73%	0.729	48%	0.475	S	S	*	.			trans	-105.5	18.1	-176.2	-139.3	177.7	22.1	0	0	113.4	G200 P204	G200-Q202 PolarHBondContact O-N 3.49Å; Q202-P204 WeakPolarHBondContact O-CD 3.5Å
203	T	84.6	Confident	68	Low	10 Å²	10	73.7 Å²	73.7	6%	0.061	46%	0.455	C	S	.	.	S	Bend	trans	-102.5	112.7	178.2	-55.5	0	0	0	0	110.4	M205 Q417 W524	T203-M205 PolarHBondContact O-N 3.33Å; T203-Q417 HydrophobicContact CG2-CB 3.57Å; T203-Q417 PolarHBondContact OG1-OE1 2.71Å; T203-W524 HydrophobicContact CG2-CG 4.29Å
204	P	90.6	Very high	71	Confident	35 Å²	35	73.7 Å²	73.7	23%	0.227	45%	0.446	C	S	.	.			trans	-49.6	131	168.7	-29.3	31.5	0	0	0	113.2	Q202 F206 S418	Q202-P204 WeakPolarHBondContact O-CD 3.5Å; P204-F206 HydrophobicContact CB-CD2 4.05Å; P204-F206 HydrophobicContact CB-CE2 3.68Å; P204-F206 HydrophobicContact CB-CZ 4.04Å; P204-S418 WeakPolarHBondContact CD-OG 3.43Å
205	M	91.6	Very high	73.8	Confident	46 Å²	46	69.8 Å²	69.8	23%	0.227	40%	0.402	C	S	.	.			trans	-91.8	-18.1	-179.9	-66.8	-55.6	-59.1	0	0	112.7	T203 D207 D211 Q421 M426 P522	T203-M205 PolarHBondContact O-N 3.33Å; M205-D207 PolarHBondContact O-N 3.13Å; M205-D211 PolarHBondContact N-OD2 2.92Å; M205-D211 VanDerWaalsContact N-OD2 3.16Å; M205-Q421 VanDerWaalsContact CE-CD 3.49Å; M205-Q421 HydrophobicContact CE-CG 4.26Å; M205-Q421 WeakPolarHBondContact O-CG 3.32Å; M205-Q421 PolarHBondContact O-NE2 2.94Å; M205-Q421 HydrophobicContact SD-CG 4.4Å; M205-M426 WeakPolarHBondContact O-CG 3.5Å; M205-P522 HydrophobicContact CE-CB 3.95Å; M205-P522 HydrophobicContact CE-CG 4.42Å; M205-P522 HydrophobicContact SD-CB 4.32Å; M205-P522 HydrophobicContact SD-CG 4.38Å
206	F	93.9	Very high	77	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.009	38%	0.376	C	S	.	.	S	Bend	trans	60.9	20.3	-179.9	-65.7	-83.9	0	0	0	113.9	P204 D211 W212 E215 S418 Q421 K422 M426	P204-F206 HydrophobicContact CB-CD2 4.05Å; P204-F206 HydrophobicContact CB-CE2 3.68Å; P204-F206 HydrophobicContact CB-CZ 4.04Å; F206-D211 HydrophobicContact CD1-CB 4.18Å; F206-D211 HydrophobicContact CG-CB 4.49Å; F206-D211 PolarHBondContact N-OD2 2.89Å; F206-W212 HydrophobicContact CB-CZ2 3.94Å; F206-W212 AromaticContact CD1-CD2 3.84Å; F206-W212 HydrophobicContact CD1-CD2 3.84Å; F206-W212 AromaticContact CD1-CE2 3.92Å; F206-W212 AromaticContact CD1-CE3 3.99Å; F206-W212 HydrophobicContact CD1-CE3 3.99Å; F206-W212 HydrophobicContact CD1-CG 4.34Å; F206-W212 HydrophobicContact CD1-CH2 4.35Å; F206-W212 HydrophobicContact CD1-CZ2 4.18Å; F206-W212 HydrophobicContact CD1-CZ3 4.25Å; F206-W212 HydrophobicContact CE1-CE3 4.39Å; F206-W212 HydrophobicContact CG-CZ2 4.44Å; F206-W212 PolarHBondContact O-NE1 2.74Å; F206-E215 HydrophobicContact CE1-CB 3.91Å; F206-E215 HydrophobicContact CE1-CG 4.08Å; F206-E215 HydrophobicContact CZ-CB 4.43Å; F206-E215 HydrophobicContact CZ-CG 4.31Å; F206-S418 WeakPolarHBondContact CE2-O 3.36Å; F206-Q421 HydrophobicContact CD2-CG 4.4Å; F206-K422 HydrophobicContact CD1-CD 4.39Å; F206-K422 HydrophobicContact CD1-CG 4.21Å; F206-K422 HydrophobicContact CD2-CB 3.78Å; F206-K422 HydrophobicContact CD2-CG 4.31Å; F206-K422 HydrophobicContact CE1-CD 3.91Å; F206-K422 HydrophobicContact CE1-CG 4.2Å; F206-K422 HydrophobicContact CE2-CB 3.72Å; F206-K422 HydrophobicContact CE2-CD 4.42Å; F206-K422 HydrophobicContact CE2-CG 4.29Å; F206-K422 HydrophobicContact CG-CB 4.2Å; F206-K422 HydrophobicContact CG-CG 4.27Å; F206-K422 HydrophobicContact CZ-CB 4.11Å; F206-K422 HydrophobicContact CZ-CD 3.93Å; F206-K422 HydrophobicContact CZ-CG 4.23Å; F206-M426 HydrophobicContact CB-CB 4.44Å; F206-M426 HydrophobicContact CB-CG 3.69Å; F206-M426 WeakPolarHBondContact O-CE 3.5Å
207	D	89.5	Confident	80	Confident	73 Å²	73	68 Å²	68	39%	0.39	38%	0.378	S	S	.	.			trans	-89.4	-8.4	172.7	62	-10.8	0	0	0	112.8	M205 M426	M205-D207 PolarHBondContact O-N 3.13Å; D207-M426 HydrophobicContact CB-CE 4.37Å
208	R	92	Very high	82.8	Confident	152 Å²	152	66.3 Å²	66.3	57%	0.574	36%	0.356	S	S	*	.	S	Bend	trans	-120.3	147.9	-180	-67.5	179.9	179.8	123.9	-1.3	112.2	S210 D211	R208-S210 PolarHBondContact O-N 3.03Å; R208-D211 WeakPolarHBondContact O-CB 3.49Å; R208-D211 PolarHBondContact O-N 3.19Å
209	P	95.3	Very high	85.4	Confident	48 Å²	48	62.6 Å²	62.6	31%	0.312	34%	0.336	S	S	.	.	H	α-helix	trans	-55.5	-38.4	175.5	-24.4	34	0	0	0	112.8	D211 W212 D213 V226 Y242	P209-D211 PolarHBondContact O-N 3.03Å; P209-W212 WeakPolarHBondContact O-CB 3.23Å; P209-W212 PolarHBondContact O-N 3.36Å; P209-W212 VanDerWaalsContact O-N 3.17Å; P209-D213 PolarHBondContact O-N 3.34Å; P209-V226 HydrophobicContact CB-CG1 4.1Å; P209-Y242 HydrophobicContact CG-CD1 3.77Å; P209-Y242 HydrophobicContact CG-CD2 4.03Å; P209-Y242 HydrophobicContact CG-CE1 3.59Å; P209-Y242 HydrophobicContact CG-CE2 3.86Å; P209-Y242 HydrophobicContact CG-CG 3.98Å
210	S	95.5	Very high	88.3	Confident	50 Å²	50	61 Å²	61	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-61.5	-27	-179.2	62.2	0	0	0	0	114.1	R208 R214	R208-S210 PolarHBondContact O-N 3.03Å; S210-R214 WeakPolarHBondContact O-CG 3.26Å; S210-R214 PolarHBondContact O-N 3.38Å; S210-R214 VanDerWaalsContact O-N 3.13Å; S210-R214 PolarHBondContact O-NH1 3.44Å; S210-R214 VanDerWaalsContact O-NH1 3.11Å; S210-R214 PolarHBondContact OG-NH1 3.5Å
211	D	95.1	Very high	91	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.059	29%	0.287	C	S	.	.	H	α-helix	trans	-72.3	-44.5	179.2	-70.1	9.1	0	0	0	109.6	M205 F206 R208 P209 R214 E215	M205-D211 PolarHBondContact N-OD2 2.92Å; M205-D211 VanDerWaalsContact N-OD2 3.16Å; F206-D211 HydrophobicContact CD1-CB 4.18Å; F206-D211 HydrophobicContact CG-CB 4.49Å; F206-D211 PolarHBondContact N-OD2 2.89Å; R208-D211 WeakPolarHBondContact O-CB 3.49Å; R208-D211 PolarHBondContact O-N 3.19Å; P209-D211 PolarHBondContact O-N 3.03Å; D211-R214 PolarHBondContact O-N 3.47Å; D211-R214 IonicContact OD1-CZ 3.36Å; D211-R214 IonicContact OD1-NH1 3.35Å; D211-R214 PolarHBondContact OD1-NH1 3.43Å; D211-R214 IonicContact OD1-NH2 2.65Å; D211-R214 PolarHBondContact OD1-NH2 2.84Å; D211-E215 PolarHBondContact O-N 3.46Å; D211-E215 VanDerWaalsContact O-N 3.13Å
212	W	96.9	Very high	93.1	Very high	16 Å²	16	58.5 Å²	58.5	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-43	173.5	-64.3	101.7	0	0	0	112.2	F206 P209 R214 E215 I216 V226 Y242 V244 K422	F206-W212 HydrophobicContact CB-CZ2 3.94Å; F206-W212 AromaticContact CD1-CD2 3.84Å; F206-W212 HydrophobicContact CD1-CD2 3.84Å; F206-W212 AromaticContact CD1-CE2 3.92Å; F206-W212 AromaticContact CD1-CE3 3.99Å; F206-W212 HydrophobicContact CD1-CE3 3.99Å; F206-W212 HydrophobicContact CD1-CG 4.34Å; F206-W212 HydrophobicContact CD1-CH2 4.35Å; F206-W212 HydrophobicContact CD1-CZ2 4.18Å; F206-W212 HydrophobicContact CD1-CZ3 4.25Å; F206-W212 HydrophobicContact CE1-CE3 4.39Å; F206-W212 HydrophobicContact CG-CZ2 4.44Å; F206-W212 PolarHBondContact O-NE1 2.74Å; P209-W212 WeakPolarHBondContact O-CB 3.23Å; P209-W212 PolarHBondContact O-N 3.36Å; P209-W212 VanDerWaalsContact O-N 3.17Å; W212-R214 VanDerWaalsContact C-N 3.34Å; W212-R214 PolarHBondContact O-N 3.25Å; W212-E215 PolarHBondContact O-N 3.48Å; W212-E215 VanDerWaalsContact O-N 3.12Å; W212-I216 WeakPolarHBondContact O-CG1 3.46Å; W212-I216 PolarHBondContact O-N 3.33Å; W212-V226 HydrophobicContact CB-CG1 4.36Å; W212-V226 HydrophobicContact CB-CG2 3.62Å; W212-Y242 PolarHBondContact NE1-O 3.02Å; W212-V244 HydrophobicContact CB-CG2 3.89Å; W212-V244 HydrophobicContact CD2-CG2 3.94Å; W212-V244 HydrophobicContact CE3-CG2 3.5Å; W212-V244 HydrophobicContact CG-CG2 4.14Å; W212-V244 HydrophobicContact CZ3-CG2 4.29Å; W212-K422 HydrophobicContact CH2-CD 4.37Å; W212-K422 HydrophobicContact CH2-CG 3.76Å; W212-K422 HydrophobicContact CZ3-CD 3.97Å; W212-K422 HydrophobicContact CZ3-CG 3.88Å
213	D	96.9	Very high	94.5	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-41.3	175.9	-80.3	-37.3	0	0	0	112.9	P209 E215 K217 V226	P209-D213 PolarHBondContact O-N 3.34Å; D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.1Å; D213-K217 WeakPolarHBondContact O-CB 3.43Å; D213-K217 VanDerWaalsContact O-CG 3.28Å; D213-K217 WeakPolarHBondContact O-CG 3.37Å; D213-K217 PolarHBondContact O-N 2.68Å; D213-V226 VanDerWaalsContact OD1-CG2 3.28Å; D213-V226 WeakPolarHBondContact OD1-CG2 3.26Å
214	R	96.1	Very high	95.1	Very high	127 Å²	127	55.4 Å²	55.4	48%	0.479	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-38.4	175.8	-76.2	-168.3	-53.1	-85.4	8.3	110.9	S210 D211 W212 K217 R218	S210-R214 WeakPolarHBondContact O-CG 3.26Å; S210-R214 PolarHBondContact O-N 3.38Å; S210-R214 VanDerWaalsContact O-N 3.13Å; S210-R214 PolarHBondContact O-NH1 3.44Å; S210-R214 VanDerWaalsContact O-NH1 3.11Å; S210-R214 PolarHBondContact OG-NH1 3.5Å; D211-R214 PolarHBondContact O-N 3.47Å; D211-R214 IonicContact OD1-CZ 3.36Å; D211-R214 IonicContact OD1-NH1 3.35Å; D211-R214 PolarHBondContact OD1-NH1 3.43Å; D211-R214 IonicContact OD1-NH2 2.65Å; D211-R214 PolarHBondContact OD1-NH2 2.84Å; W212-R214 VanDerWaalsContact C-N 3.34Å; W212-R214 PolarHBondContact O-N 3.25Å; R214-K217 PolarHBondContact O-N 2.97Å; R214-R218 WeakPolarHBondContact O-CB 3.38Å; R214-R218 PolarHBondContact O-N 3.4Å
215	E	96.5	Very high	95.5	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-72.8	-40	-179.2	-171.2	60.6	-176.9	0	0	113.2	F206 D211 W212 D213 K217 R218 T219 W269 Y410 K422	F206-E215 HydrophobicContact CE1-CB 3.91Å; F206-E215 HydrophobicContact CE1-CG 4.08Å; F206-E215 HydrophobicContact CZ-CB 4.43Å; F206-E215 HydrophobicContact CZ-CG 4.31Å; D211-E215 PolarHBondContact O-N 3.46Å; D211-E215 VanDerWaalsContact O-N 3.13Å; W212-E215 PolarHBondContact O-N 3.48Å; W212-E215 VanDerWaalsContact O-N 3.12Å; D213-E215 VanDerWaalsContact C-N 3.27Å; D213-E215 PolarHBondContact O-N 3.1Å; E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 2.91Å; E215-R218 PolarHBondContact O-N 3.12Å; E215-R218 IonicContact OE1-CZ 3.26Å; E215-R218 IonicContact OE1-NE 3.43Å; E215-R218 PolarHBondContact OE1-NE 3.34Å; E215-R218 IonicContact OE1-NH2 2.79Å; E215-R218 PolarHBondContact OE1-NH2 3.27Å; E215-R218 IonicContact OE2-CZ 3.43Å; E215-R218 IonicContact OE2-NE 3.34Å; E215-R218 PolarHBondContact OE2-NE 2.96Å; E215-R218 IonicContact OE2-NH2 2.85Å; E215-T219 WeakPolarHBondContact O-CG2 3.5Å; E215-T219 PolarHBondContact O-N 2.94Å; E215-T219 PolarHBondContact O-OG1 3.48Å; E215-W269 HydrophobicContact CG-CH2 4.02Å; E215-W269 HydrophobicContact CG-CZ3 4.11Å; E215-Y410 PolarHBondContact OE1-OH 3.48Å; E215-K422 IonicContact OE1-NZ 3.26Å
216	I	97.4	Very high	95.8	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-48.1	170.2	-73.1	168.4	0	0	0	110.1	W212 T219 G220 A221 V226 V244 W269	W212-I216 WeakPolarHBondContact O-CG1 3.46Å; W212-I216 PolarHBondContact O-N 3.33Å; I216-T219 PolarHBondContact O-N 2.9Å; I216-T219 PolarHBondContact O-OG1 3.37Å; I216-G220 PolarHBondContact O-N 2.79Å; I216-A221 HydrophobicContact CG2-CB 4.15Å; I216-A221 WeakPolarHBondContact CG2-O 3.5Å; I216-A221 PolarHBondContact O-N 3.36Å; I216-V226 HydrophobicContact CD1-CG2 3.85Å; I216-V244 HydrophobicContact CD1-CG1 3.74Å; I216-V244 HydrophobicContact CD1-CG2 3.92Å; I216-V244 HydrophobicContact CG1-CG1 4.07Å; I216-V244 HydrophobicContact CG1-CG2 4.41Å; I216-W269 HydrophobicContact CG1-CH2 4.31Å; I216-W269 HydrophobicContact CG1-CZ3 4.21Å
217	K	97.1	Very high	95.9	Very high	164 Å²	164	55.9 Å²	55.9	71%	0.713	28%	0.282	S	S	*	.	H	α-helix	trans	-64.5	-40.8	178.4	-72.7	170.7	-175.5	172.2	0	112.2	D213 R214 E215 T219 G220	D213-K217 WeakPolarHBondContact O-CB 3.43Å; D213-K217 VanDerWaalsContact O-CG 3.28Å; D213-K217 WeakPolarHBondContact O-CG 3.37Å; D213-K217 PolarHBondContact O-N 2.68Å; R214-K217 PolarHBondContact O-N 2.97Å; E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 2.91Å; K217-T219 VanDerWaalsContact C-N 3.33Å; K217-T219 PolarHBondContact O-N 3.28Å; K217-G220 PolarHBondContact O-N 3.19Å
218	R	96.1	Very high	96.3	Very high	85 Å²	85	54.8 Å²	54.8	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-39.8	179.5	-169.9	-168.9	68.7	74.7	-1	112.1	R214 E215 D407 H409 Y410	R214-R218 WeakPolarHBondContact O-CB 3.38Å; R214-R218 PolarHBondContact O-N 3.4Å; E215-R218 PolarHBondContact O-N 3.12Å; E215-R218 IonicContact OE1-CZ 3.26Å; E215-R218 IonicContact OE1-NE 3.43Å; E215-R218 PolarHBondContact OE1-NE 3.34Å; E215-R218 IonicContact OE1-NH2 2.79Å; E215-R218 PolarHBondContact OE1-NH2 3.27Å; E215-R218 IonicContact OE2-CZ 3.43Å; E215-R218 IonicContact OE2-NE 3.34Å; E215-R218 PolarHBondContact OE2-NE 2.96Å; E215-R218 IonicContact OE2-NH2 2.85Å; R218-D407 IonicContact CZ-OD2 3.21Å; R218-D407 VanDerWaalsContact CZ-OD2 3.26Å; R218-D407 IonicContact NH1-OD1 2.73Å; R218-D407 PolarHBondContact NH1-OD1 3.41Å; R218-D407 IonicContact NH1-OD2 3.67Å; R218-D407 PolarHBondContact NH1-OD2 3.01Å; R218-D407 IonicContact NH2-OD2 3.82Å; R218-D407 PolarHBondContact NH2-OD2 2.89Å; R218-H409 VanDerWaalsContact CZ-CD2 3.45Å; R218-Y410 PolarHBondContact NH2-OH 2.93Å
219	T	96.1	Very high	96.4	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.086	25%	0.254	C	S	.	.	H	α-helix	trans	-89.4	-7.3	-178.2	55.7	0	0	0	0	113.6	E215 I216 K217 A221 W269	E215-T219 WeakPolarHBondContact O-CG2 3.5Å; E215-T219 PolarHBondContact O-N 2.94Å; E215-T219 PolarHBondContact O-OG1 3.48Å; I216-T219 PolarHBondContact O-N 2.9Å; I216-T219 PolarHBondContact O-OG1 3.37Å; K217-T219 VanDerWaalsContact C-N 3.33Å; K217-T219 PolarHBondContact O-N 3.28Å; T219-A221 VanDerWaalsContact C-N 3.35Å; T219-W269 HydrophobicContact CG2-CH2 4.35Å; T219-W269 HydrophobicContact CG2-CZ2 4.43Å; T219-W269 WeakPolarHBondContact OG1-CH2 3.33Å; T219-W269 VanDerWaalsContact OG1-CZ2 3.28Å; T219-W269 WeakPolarHBondContact OG1-CZ2 3.38Å
220	G	95.6	Very high	96.5	Very high	52 Å²	52	45.7 Å²	45.7	54%	0.536	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	26.1	-179.5	0	0	0	0	0	113.7	I216 K217 S222	I216-G220 PolarHBondContact O-N 2.79Å; K217-G220 PolarHBondContact O-N 3.19Å; G220-S222 PolarHBondContact O-N 3.23Å
221	A	96.3	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.			trans	-80.9	55.4	-176.3	0	0	0	0	0	112.9	I216 T219 E223 W224 W269 N272	I216-A221 HydrophobicContact CG2-CB 4.15Å; I216-A221 WeakPolarHBondContact CG2-O 3.5Å; I216-A221 PolarHBondContact O-N 3.36Å; T219-A221 VanDerWaalsContact C-N 3.35Å; A221-E223 PolarHBondContact O-N 2.85Å; A221-E223 VanDerWaalsContact O-N 3.13Å; A221-W224 HydrophobicContact CB-CB 4.14Å; A221-W224 HydrophobicContact CB-CG 4.18Å; A221-W224 WeakPolarHBondContact O-CB 3.35Å; A221-W224 PolarHBondContact O-N 2.94Å; A221-W269 HydrophobicContact CB-CZ2 3.72Å; A221-N272 HydrophobicContact CB-CB 3.83Å
222	S	94.1	Very high	96.4	Very high	95 Å²	95	54.9 Å²	54.9	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.4	-171.4	60.3	0	0	0	0	115.3	G220 W224	G220-S222 PolarHBondContact O-N 3.23Å; S222-W224 PolarHBondContact O-N 2.98Å
223	E	97.3	Very high	96.3	Very high	91 Å²	91	55.1 Å²	55.1	43%	0.425	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	14.4	178.3	-60.5	-56.5	125.5	0	0	113.3	A221 V247	A221-E223 PolarHBondContact O-N 2.85Å; A221-E223 VanDerWaalsContact O-N 3.13Å; E223-V247 VanDerWaalsContact C-CG2 3.43Å; E223-V247 WeakPolarHBondContact O-CG2 3.44Å; E223-V247 PolarHBondContact O-N 2.93Å
224	W	98.3	Very high	96.1	Very high	10 Å²	10	56.9 Å²	56.9	4%	0.038	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.4	177.5	-61.8	81.9	0	0	0	110.2	A221 S222 V244 V245 P246 W269 N272 A278 V280 I302 S305	A221-W224 HydrophobicContact CB-CB 4.14Å; A221-W224 HydrophobicContact CB-CG 4.18Å; A221-W224 WeakPolarHBondContact O-CB 3.35Å; A221-W224 PolarHBondContact O-N 2.94Å; S222-W224 PolarHBondContact O-N 2.98Å; W224-V244 HydrophobicContact CB-CG1 3.89Å; W224-V244 HydrophobicContact CE3-CG1 4.42Å; W224-V245 WeakPolarHBondContact CA-O 3.13Å; W224-P246 HydrophobicContact CE3-CG 4.05Å; W224-P246 HydrophobicContact CH2-CG 3.78Å; W224-P246 HydrophobicContact CZ2-CG 4.45Å; W224-P246 HydrophobicContact CZ3-CG 3.56Å; W224-W269 HydrophobicContact CD2-CB 4.24Å; W224-W269 AromaticContact CD2-CD1 3.39Å; W224-W269 AromaticContact CD2-CG 3.94Å; W224-W269 HydrophobicContact CD2-CG 3.94Å; W224-W269 AromaticContact CE2-CD1 3.61Å; W224-W269 HydrophobicContact CE3-CB 3.48Å; W224-W269 VanDerWaalsContact CE3-CB 3.48Å; W224-W269 AromaticContact CE3-CD1 3.51Å; W224-W269 AromaticContact CE3-CG 3.68Å; W224-W269 HydrophobicContact CE3-CG 3.68Å; W224-W269 AromaticContact CG-CD1 3.9Å; W224-W269 HydrophobicContact CG-CG 4.4Å; W224-W269 HydrophobicContact CH2-CB 4.45Å; W224-W269 AromaticContact CZ2-CD1 3.97Å; W224-W269 HydrophobicContact CZ3-CB 3.59Å; W224-W269 AromaticContact CZ3-CD1 3.83Å; W224-W269 HydrophobicContact CZ3-CG 4.07Å; W224-N272 PolarHBondContact NE1-OD1 3.31Å; W224-A278 HydrophobicContact CH2-CB 4.31Å; W224-A278 HydrophobicContact CZ2-CB 3.39Å; W224-V280 HydrophobicContact CH2-CG2 3.47Å; W224-V280 VanDerWaalsContact CH2-CG2 3.47Å; W224-V280 HydrophobicContact CZ2-CG2 4.13Å; W224-V280 HydrophobicContact CZ3-CG2 4.31Å; W224-I302 HydrophobicContact CH2-CG1 4.13Å; W224-S305 WeakPolarHBondContact CZ2-OG 3.13Å; W224-S305 PolarHBondContact NE1-OG 2.99Å
225	R	97.9	Very high	96	Very high	60 Å²	60	52.2 Å²	52.2	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.9	-176.6	65.8	176.7	-174.7	89.4	0.4	112.1	V244 V245 V247 L249 D251	R225-V244 WeakPolarHBondContact O-CA 3.37Å; R225-V245 HydrophobicContact CG-CG2 4Å; R225-V245 PolarHBondContact N-O 3.46Å; R225-V245 PolarHBondContact O-N 3.16Å; R225-V247 HydrophobicContact CB-CG2 4.01Å; R225-V247 HydrophobicContact CG-CG2 4.31Å; R225-L249 PolarHBondContact NE-O 2.84Å; R225-L249 PolarHBondContact NH2-O 2.89Å; R225-D251 IonicContact CZ-OD1 3.28Å; R225-D251 VanDerWaalsContact CZ-OD1 3.28Å; R225-D251 IonicContact NH1-OD1 2.93Å; R225-D251 PolarHBondContact NH1-OD1 3.08Å; R225-D251 IonicContact NH2-OD1 2.69Å; R225-D251 PolarHBondContact NH2-OD1 2.71Å
226	V	98.1	Very high	96	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.1	165.8	-172	0	0	0	0	109	P209 W212 D213 I216 V244	P209-V226 HydrophobicContact CB-CG1 4.1Å; W212-V226 HydrophobicContact CB-CG1 4.36Å; W212-V226 HydrophobicContact CB-CG2 3.62Å; D213-V226 VanDerWaalsContact OD1-CG2 3.28Å; D213-V226 WeakPolarHBondContact OD1-CG2 3.26Å; I216-V226 HydrophobicContact CD1-CG2 3.85Å; V226-V244 HydrophobicContact CG2-CG2 4.42Å
227	C	96.8	Very high	95.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.8	-177.8	178.8	0	0	0	0	109	I229 Y242 V243 V245 D251	C227-I229 WeakPolarHBondContact SG-CB 3.44Å; C227-I229 WeakPolarHBondContact SG-CG2 3.35Å; C227-Y242 WeakPolarHBondContact O-CA 3.46Å; C227-V243 HydrophobicContact CB-CG2 4.17Å; C227-V243 PolarHBondContact N-O 2.99Å; C227-V243 PolarHBondContact O-N 3.14Å; C227-V245 HydrophobicContact CB-CG1 4.3Å; C227-V245 HydrophobicContact CB-CG2 3.67Å; C227-D251 PolarHBondContact SG-OD1 3.33Å
228	S	96.1	Very high	95.8	Very high	50 Å²	50	48.8 Å²	48.8	35%	0.35	26%	0.261	S	S	.	.			trans	-100.2	20.1	179.8	53	0	0	0	0	112.5	N230 E231	S228-N230 PolarHBondContact O-N 2.82Å; S228-N230 VanDerWaalsContact O-N 3.1Å; S228-E231 WeakPolarHBondContact CB-OE1 3.28Å; S228-E231 WeakPolarHBondContact O-CG 3.32Å; S228-E231 PolarHBondContact O-N 3.37Å; S228-E231 VanDerWaalsContact O-N 3.09Å
229	I	95.6	Very high	95.8	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.041	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.7	-179.1	-167.6	178.9	0	0	0	112.9	C227 V234 V235 V243 L254 K255	C227-I229 WeakPolarHBondContact SG-CB 3.44Å; C227-I229 WeakPolarHBondContact SG-CG2 3.35Å; I229-V234 VanDerWaalsContact O-CG2 3.3Å; I229-V234 WeakPolarHBondContact O-CG2 3.49Å; I229-V235 HydrophobicContact CD1-CG2 4.12Å; I229-V235 HydrophobicContact CG1-CG2 3.82Å; I229-V243 HydrophobicContact CG2-CG2 4.34Å; I229-L254 HydrophobicContact CD1-CB 3.39Å; I229-K255 HydrophobicContact CD1-CB 4.29Å; I229-K255 HydrophobicContact CD1-CG 3.53Å; I229-K255 HydrophobicContact CG1-CG 3.8Å
230	N	96.4	Very high	95.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	18.1	-177.9	-160.5	42.9	0	0	0	113.4	S228 K232 Y233 V234 V235 S236 L239 P240 E241	S228-N230 PolarHBondContact O-N 2.82Å; S228-N230 VanDerWaalsContact O-N 3.1Å; N230-K232 PolarHBondContact O-N 2.89Å; N230-Y233 VanDerWaalsContact O-CA 3.29Å; N230-Y233 WeakPolarHBondContact O-CA 3.24Å; N230-Y233 PolarHBondContact O-N 3.2Å; N230-Y233 WeakPolarHBondContact OD1-CA 3.48Å; N230-V234 PolarHBondContact OD1-N 3.1Å; N230-V235 HydrophobicContact CB-CB 4.44Å; N230-V235 WeakPolarHBondContact OD1-CA 3.3Å; N230-V235 WeakPolarHBondContact OD1-CB 3.47Å; N230-V235 PolarHBondContact OD1-N 3.31Å; N230-S236 PolarHBondContact ND2-O 3.18Å; N230-S236 PolarHBondContact OD1-N 2.98Å; N230-S236 PolarHBondContact OD1-O 3.13Å; N230-L239 WeakPolarHBondContact ND2-CB 3.46Å; N230-L239 PolarHBondContact ND2-O 2.87Å; N230-P240 PolarHBondContact ND2-O 2.97Å; N230-E241 CarbonylContact C-O 3.41Å; N230-E241 WeakPolarHBondContact O-CA 3.38Å
231	E	95	Very high	95.7	Very high	83 Å²	83	44.6 Å²	44.6	39%	0.388	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-52.6	136.9	170.1	-83.9	-178.8	-179.9	0	0	110.7	S228 Y233 V234 E241 Y242	S228-E231 WeakPolarHBondContact CB-OE1 3.28Å; S228-E231 WeakPolarHBondContact O-CG 3.32Å; S228-E231 PolarHBondContact O-N 3.37Å; S228-E231 VanDerWaalsContact O-N 3.09Å; E231-Y233 PolarHBondContact O-N 3.45Å; E231-Y233 VanDerWaalsContact O-N 3.14Å; E231-V234 WeakPolarHBondContact O-CG2 3.31Å; E231-E241 PolarHBondContact N-O 3.4Å; E231-Y242 HydrophobicContact CG-CE1 3.92Å; E231-Y242 WeakPolarHBondContact OE1-CE1 3.17Å
232	K	93.3	Very high	95.7	Very high	171 Å²	171	46.5 Å²	46.5	74%	0.743	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	58.1	19.2	-172.5	-51.2	174.8	-177.3	174.8	0	113.9	N230 V234 E241	N230-K232 PolarHBondContact O-N 2.89Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 HydrophobicContact CB-CG1 4.36Å; K232-V234 PolarHBondContact O-N 2.71Å; K232-E241 PolarHBondContact N-OE1 3.31Å
233	Y	95	Very high	95.8	Very high	22 Å²	22	42.1 Å²	42.1	9%	0.086	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	59.1	35.9	177	-44.5	-81	0	0	0	113.6	N230 E231 L239 E241 S494 K495 T498	N230-Y233 VanDerWaalsContact O-CA 3.29Å; N230-Y233 WeakPolarHBondContact O-CA 3.24Å; N230-Y233 PolarHBondContact O-N 3.2Å; N230-Y233 WeakPolarHBondContact OD1-CA 3.48Å; E231-Y233 PolarHBondContact O-N 3.45Å; E231-Y233 VanDerWaalsContact O-N 3.14Å; Y233-L239 WeakPolarHBondContact CD1-O 3.45Å; Y233-E241 HydrophobicContact CD1-CG 4.23Å; Y233-E241 HydrophobicContact CE1-CG 3.77Å; Y233-E241 HydrophobicContact CE2-CG 4.19Å; Y233-S494 PolarHBondContact OH-O 3.34Å; Y233-S494 PolarHBondContact OH-OG 2.95Å; Y233-K495 HydrophobicContact CD1-CB 3.7Å; Y233-K495 HydrophobicContact CD1-CG 4.33Å; Y233-K495 HydrophobicContact CD2-CB 3.74Å; Y233-K495 HydrophobicContact CD2-CD 4.1Å; Y233-K495 HydrophobicContact CD2-CG 3.54Å; Y233-K495 HydrophobicContact CE1-CB 3.78Å; Y233-K495 HydrophobicContact CE2-CB 3.82Å; Y233-K495 HydrophobicContact CE2-CG 3.91Å; Y233-K495 HydrophobicContact CG-CB 3.65Å; Y233-K495 HydrophobicContact CG-CD 3.97Å; Y233-K495 HydrophobicContact CG-CG 3.75Å; Y233-K495 VanDerWaalsContact CZ-CA 3.45Å; Y233-K495 PolarHBondContact OH-N 3.42Å; Y233-T498 PolarHBondContact OH-OG1 3.49Å
234	V	93.9	Very high	95.9	Very high	105 Å²	105	37.8 Å²	37.8	64%	0.636	19%	0.187	S	C	*	.	S	Bend	trans	-72.5	-24.7	-175.8	-67.2	0	0	0	0	114.1	I229 N230 E231 K232	I229-V234 VanDerWaalsContact O-CG2 3.3Å; I229-V234 WeakPolarHBondContact O-CG2 3.49Å; N230-V234 PolarHBondContact OD1-N 3.1Å; E231-V234 WeakPolarHBondContact O-CG2 3.31Å; K232-V234 VanDerWaalsContact C-N 3.29Å; K232-V234 HydrophobicContact CB-CG1 4.36Å; K232-V234 PolarHBondContact O-N 2.71Å
235	V	93.9	Very high	95.9	Very high	29 Å²	29	37.3 Å²	37.3	18%	0.176	19%	0.185	C	C	.	.	S	Bend	trans	-96.3	-44.4	-179.7	166.8	0	0	0	0	111.4	I229 N230 G264	I229-V235 HydrophobicContact CD1-CG2 4.12Å; I229-V235 HydrophobicContact CG1-CG2 3.82Å; N230-V235 HydrophobicContact CB-CB 4.44Å; N230-V235 WeakPolarHBondContact OD1-CA 3.3Å; N230-V235 WeakPolarHBondContact OD1-CB 3.47Å; N230-V235 PolarHBondContact OD1-N 3.31Å; V235-G264 WeakPolarHBondContact CG1-O 3.43Å
236	S	95.8	Very high	95.9	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.021	18%	0.176	C	C	.	.			trans	-148.6	130.9	-178.4	176.6	0	0	0	0	110.5	N230 S238 L239 D263	N230-S236 PolarHBondContact ND2-O 3.18Å; N230-S236 PolarHBondContact OD1-N 2.98Å; N230-S236 PolarHBondContact OD1-O 3.13Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.28Å; S236-S238 PolarHBondContact OG-N 3.15Å; S236-S238 PolarHBondContact OG-OG 3.42Å; S236-L239 PolarHBondContact OG-N 2.75Å; S236-D263 WeakPolarHBondContact CB-O 3.15Å; S236-D263 PolarHBondContact OG-O 3.26Å
237	E	95.5	Very high	95.8	Very high	112 Å²	112	36.7 Å²	36.7	52%	0.523	19%	0.188	S	C	.	.	S	Bend	trans	-77	-16.5	179.3	-57	-160.3	168.2	0	0	113.3	S493 K495	E237-S493 PolarHBondContact O-OG 3.21Å; E237-K495 HydrophobicContact CB-CD 3.73Å; E237-K495 HydrophobicContact CG-CD 3.94Å; E237-K495 WeakPolarHBondContact O-CB 3.41Å; E237-K495 IonicContact OE1-NZ 3.97Å; E237-K495 PolarHBondContact OE1-NZ 2.9Å; E237-K495 IonicContact OE2-NZ 3.34Å; E237-K495 PolarHBondContact OE2-NZ 3.19Å
238	S	95.6	Very high	95.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	20%	0.203	C	C	.	.	S	Bend	trans	-98.7	-16.9	179.7	66.8	0	0	0	0	114	S236 D263 R265 R392	S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 3.28Å; S236-S238 PolarHBondContact OG-N 3.15Å; S236-S238 PolarHBondContact OG-OG 3.42Å; S238-D263 WeakPolarHBondContact CB-OD2 3.24Å; S238-D263 PolarHBondContact OG-OD2 2.74Å; S238-R265 PolarHBondContact O-NH1 3.5Å; S238-R265 WeakPolarHBondContact OG-CD 3.38Å; S238-R265 PolarHBondContact OG-NH1 2.96Å; S238-R392 VanDerWaalsContact CB-CZ 3.48Å
239	L	95.6	Very high	95.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-80.9	158.2	173.5	-75	-177.1	0	0	0	112.3	N230 Y233 S236 V243 R265 V266 L268	N230-L239 WeakPolarHBondContact ND2-CB 3.46Å; N230-L239 PolarHBondContact ND2-O 2.87Å; Y233-L239 WeakPolarHBondContact CD1-O 3.45Å; S236-L239 PolarHBondContact OG-N 2.75Å; L239-V243 HydrophobicContact CD1-CG1 4.46Å; L239-R265 HydrophobicContact CD1-CB 4.42Å; L239-R265 HydrophobicContact CD2-CG 4.42Å; L239-R265 HydrophobicContact CG-CB 4.48Å; L239-R265 HydrophobicContact CG-CG 4.13Å; L239-V266 HydrophobicContact CD1-CG2 4.25Å; L239-L268 HydrophobicContact CD1-CD2 4.45Å; L239-L268 HydrophobicContact CD2-CD1 3.61Å; L239-L268 HydrophobicContact CD2-CD2 3.92Å; L239-L268 HydrophobicContact CD2-CG 4.17Å
240	P	94.9	Very high	95.9	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.026	21%	0.207	C	C	.	.			trans	-71.9	165.6	168.5	33	-32	0	0	0	110.2	N230 Y242 V243 M426	N230-P240 PolarHBondContact ND2-O 2.97Å; P240-Y242 WeakPolarHBondContact CG-O 3.4Å; P240-Y242 PolarHBondContact O-N 3.04Å; P240-V243 HydrophobicContact CG-CG1 3.92Å; P240-M426 HydrophobicContact CB-CB 4.42Å; P240-M426 HydrophobicContact CB-CE 3.63Å; P240-M426 WeakPolarHBondContact CD-O 3.3Å; P240-M426 WeakPolarHBondContact CG-O 3.4Å
241	E	94.9	Very high	95.9	Very high	57 Å²	57	42.5 Å²	42.5	27%	0.266	22%	0.221	S	C	.	.	S	Bend	trans	-64.4	-30.3	177.9	-67.2	-168.6	92.1	0	0	112.7	N230 E231 K232 Y233	N230-E241 CarbonylContact C-O 3.41Å; N230-E241 WeakPolarHBondContact O-CA 3.38Å; E231-E241 PolarHBondContact N-O 3.4Å; K232-E241 PolarHBondContact N-OE1 3.31Å; Y233-E241 HydrophobicContact CD1-CG 4.23Å; Y233-E241 HydrophobicContact CE1-CG 3.77Å; Y233-E241 HydrophobicContact CE2-CG 4.19Å
242	Y	96.3	Very high	95.9	Very high	41 Å²	41	45.1 Å²	45.1	16%	0.161	23%	0.233	C	C	.	.			trans	-118.3	125.8	-178.8	-53.6	-66.2	0	0	0	110.5	P209 W212 C227 E231 P240	P209-Y242 HydrophobicContact CG-CD1 3.77Å; P209-Y242 HydrophobicContact CG-CD2 4.03Å; P209-Y242 HydrophobicContact CG-CE1 3.59Å; P209-Y242 HydrophobicContact CG-CE2 3.86Å; P209-Y242 HydrophobicContact CG-CG 3.98Å; W212-Y242 PolarHBondContact NE1-O 3.02Å; C227-Y242 WeakPolarHBondContact O-CA 3.46Å; E231-Y242 HydrophobicContact CG-CE1 3.92Å; E231-Y242 WeakPolarHBondContact OE1-CE1 3.17Å; P240-Y242 WeakPolarHBondContact CG-O 3.4Å; P240-Y242 PolarHBondContact O-N 3.04Å
243	V	96.1	Very high	95.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164.1	177.4	-63.9	0	0	0	0	110	C227 I229 L239 P240 V245 L268	C227-V243 HydrophobicContact CB-CG2 4.17Å; C227-V243 PolarHBondContact N-O 2.99Å; C227-V243 PolarHBondContact O-N 3.14Å; I229-V243 HydrophobicContact CG2-CG2 4.34Å; L239-V243 HydrophobicContact CD1-CG1 4.46Å; P240-V243 HydrophobicContact CG-CG1 3.92Å; V243-V245 HydrophobicContact CG2-CG1 4.22Å; V243-L268 HydrophobicContact CB-CD2 3.68Å; V243-L268 HydrophobicContact CG1-CD2 3.49Å; V243-L268 VanDerWaalsContact CG1-CD2 3.49Å; V243-L268 HydrophobicContact CG2-CD2 4.5Å
244	V	98.3	Very high	96	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	178.1	177.7	0	0	0	0	110.2	W212 I216 W224 R225 V226 W269	W212-V244 HydrophobicContact CB-CG2 3.89Å; W212-V244 HydrophobicContact CD2-CG2 3.94Å; W212-V244 HydrophobicContact CE3-CG2 3.5Å; W212-V244 HydrophobicContact CG-CG2 4.14Å; W212-V244 HydrophobicContact CZ3-CG2 4.29Å; I216-V244 HydrophobicContact CD1-CG1 3.74Å; I216-V244 HydrophobicContact CD1-CG2 3.92Å; I216-V244 HydrophobicContact CG1-CG1 4.07Å; I216-V244 HydrophobicContact CG1-CG2 4.41Å; W224-V244 HydrophobicContact CB-CG1 3.89Å; W224-V244 HydrophobicContact CE3-CG1 4.42Å; R225-V244 WeakPolarHBondContact O-CA 3.37Å; V226-V244 HydrophobicContact CG2-CG2 4.42Å; V244-W269 HydrophobicContact CB-CB 3.85Å; V244-W269 HydrophobicContact CB-CD2 4.28Å; V244-W269 HydrophobicContact CB-CE3 3.78Å; V244-W269 HydrophobicContact CB-CG 4.36Å; V244-W269 HydrophobicContact CG1-CB 3.67Å; V244-W269 HydrophobicContact CG1-CD2 3.78Å; V244-W269 HydrophobicContact CG1-CE3 3.64Å; V244-W269 HydrophobicContact CG1-CG 3.83Å; V244-W269 HydrophobicContact CG1-CZ3 4.49Å; V244-W269 HydrophobicContact CG2-CE3 4.12Å; V244-W269 VanDerWaalsContact O-CB 3.31Å; V244-W269 WeakPolarHBondContact O-CB 3.46Å; V244-W269 PolarHBondContact O-N 2.89Å
245	V	98.1	Very high	96	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.8	-172.3	-59.6	0	0	0	0	110.9	W224 R225 C227 V243 L254	W224-V245 WeakPolarHBondContact CA-O 3.13Å; R225-V245 HydrophobicContact CG-CG2 4Å; R225-V245 PolarHBondContact N-O 3.46Å; R225-V245 PolarHBondContact O-N 3.16Å; C227-V245 HydrophobicContact CB-CG1 4.3Å; C227-V245 HydrophobicContact CB-CG2 3.67Å; V243-V245 HydrophobicContact CG2-CG1 4.22Å; V245-L254 HydrophobicContact CB-CD1 4.18Å; V245-L254 HydrophobicContact CG1-CD1 4Å; V245-L254 HydrophobicContact CG2-CD1 3.87Å
246	P	98.1	Very high	96	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	139.7	174.3	-23	33.2	0	0	0	111.7	W224 S248 L249 A301 I302	W224-P246 HydrophobicContact CE3-CG 4.05Å; W224-P246 HydrophobicContact CH2-CG 3.78Å; W224-P246 HydrophobicContact CZ2-CG 4.45Å; W224-P246 HydrophobicContact CZ3-CG 3.56Å; P246-S248 PolarHBondContact O-N 3.08Å; P246-S248 VanDerWaalsContact O-N 3.14Å; P246-L249 HydrophobicContact CB-CG 4.49Å; P246-L249 HydrophobicContact CG-CD1 4.21Å; P246-L249 PolarHBondContact O-N 2.84Å; P246-A301 HydrophobicContact CB-CB 4.06Å; P246-A301 HydrophobicContact CG-CB 4.1Å; P246-I302 HydrophobicContact CG-CG1 4.37Å
247	V	97.5	Very high	95.8	Very high	71 Å²	71	44.2 Å²	44.2	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.2	177.2	168.4	0	0	0	0	111.8	E223 R225 L249	E223-V247 VanDerWaalsContact C-CG2 3.43Å; E223-V247 WeakPolarHBondContact O-CG2 3.44Å; E223-V247 PolarHBondContact O-N 2.93Å; R225-V247 HydrophobicContact CB-CG2 4.01Å; R225-V247 HydrophobicContact CG-CG2 4.31Å; V247-L249 VanDerWaalsContact C-N 3.26Å; V247-L249 PolarHBondContact O-N 3.14Å
248	S	96.9	Very high	95.8	Very high	47 Å²	47	39.4 Å²	39.4	33%	0.329	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.7	-179.3	65.9	0	0	0	0	115.2	P246 A301	P246-S248 PolarHBondContact O-N 3.08Å; P246-S248 VanDerWaalsContact O-N 3.14Å; S248-A301 WeakPolarHBondContact OG-CB 3.5Å
249	L	96.6	Very high	95.7	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	23%	0.226	C	C	.	.	S	Bend	trans	-95.6	122.7	173.7	-68.2	-179.7	0	0	0	109.2	R225 P246 V247 L254 A301	R225-L249 PolarHBondContact NE-O 2.84Å; R225-L249 PolarHBondContact NH2-O 2.89Å; P246-L249 HydrophobicContact CB-CG 4.49Å; P246-L249 HydrophobicContact CG-CD1 4.21Å; P246-L249 PolarHBondContact O-N 2.84Å; V247-L249 VanDerWaalsContact C-N 3.26Å; V247-L249 PolarHBondContact O-N 3.14Å; L249-L254 HydrophobicContact CB-CD1 4.43Å; L249-L254 HydrophobicContact CB-CD2 4.37Å; L249-L254 HydrophobicContact CB-CG 4.26Å; L249-L254 HydrophobicContact CD1-CD2 4.02Å; L249-A301 HydrophobicContact CD1-CB 3.96Å; L249-A301 HydrophobicContact CD2-CB 3.78Å; L249-A301 HydrophobicContact CG-CB 3.6Å
250	T	95.9	Very high	95.6	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.423	24%	0.236	S	C	.	.			trans	-83.4	157	176.4	64	0	0	0	0	111.6	Q252 E253 L254	T250-Q252 PolarHBondContact O-N 2.94Å; T250-E253 PolarHBondContact N-OE2 3.37Å; T250-E253 PolarHBondContact O-N 2.85Å; T250-E253 WeakPolarHBondContact OG1-CG 3.48Å; T250-E253 PolarHBondContact OG1-N 2.8Å; T250-E253 PolarHBondContact OG1-OE2 2.85Å; T250-L254 WeakPolarHBondContact O-CG 3.16Å; T250-L254 PolarHBondContact O-N 2.77Å
251	D	95.6	Very high	95.5	Very high	56 Å²	56	45.3 Å²	45.3	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-33	177.5	-66.4	-7.1	0	0	0	112	R225 C227 L254 K255	R225-D251 IonicContact CZ-OD1 3.28Å; R225-D251 VanDerWaalsContact CZ-OD1 3.28Å; R225-D251 IonicContact NH1-OD1 2.93Å; R225-D251 PolarHBondContact NH1-OD1 3.08Å; R225-D251 IonicContact NH2-OD1 2.69Å; R225-D251 PolarHBondContact NH2-OD1 2.71Å; C227-D251 PolarHBondContact SG-OD1 3.33Å; D251-L254 PolarHBondContact O-N 3.01Å; D251-K255 WeakPolarHBondContact O-CG 3.48Å; D251-K255 PolarHBondContact O-N 2.82Å
252	Q	95.3	Very high	95.5	Very high	139 Å²	139	44.2 Å²	44.2	65%	0.65	23%	0.232	S	C	*	.	H	α-helix	trans	-65	-42.5	175.8	-175.1	179	0.5	0	0	111.7	T250 K255 Q256	T250-Q252 PolarHBondContact O-N 2.94Å; Q252-K255 PolarHBondContact O-N 3.49Å; Q252-Q256 WeakPolarHBondContact O-CG 3.29Å; Q252-Q256 PolarHBondContact O-N 3.23Å
253	E	94.9	Very high	95.4	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-42	175.8	-69.3	171.4	119.5	0	0	111.4	T250 K255 Q256 L257 K297	T250-E253 PolarHBondContact N-OE2 3.37Å; T250-E253 PolarHBondContact O-N 2.85Å; T250-E253 WeakPolarHBondContact OG1-CG 3.48Å; T250-E253 PolarHBondContact OG1-N 2.8Å; T250-E253 PolarHBondContact OG1-OE2 2.85Å; E253-K255 VanDerWaalsContact C-N 3.32Å; E253-K255 PolarHBondContact O-N 2.99Å; E253-Q256 WeakPolarHBondContact O-CB 3.5Å; E253-Q256 PolarHBondContact O-N 3.36Å; E253-Q256 VanDerWaalsContact O-N 3.15Å; E253-L257 WeakPolarHBondContact O-CB 3.45Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.36Å; E253-L257 PolarHBondContact O-N 2.93Å; E253-K297 WeakPolarHBondContact OE1-CE 3.45Å; E253-K297 IonicContact OE1-NZ 3.26Å; E253-K297 PolarHBondContact OE1-NZ 3.04Å
254	L	95.6	Very high	95.3	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-37.8	176.6	-71.9	168.6	0	0	0	111.8	I229 V245 L249 T250 D251 Q256 L257 S258 V266	I229-L254 HydrophobicContact CD1-CB 3.39Å; V245-L254 HydrophobicContact CB-CD1 4.18Å; V245-L254 HydrophobicContact CG1-CD1 4Å; V245-L254 HydrophobicContact CG2-CD1 3.87Å; L249-L254 HydrophobicContact CB-CD1 4.43Å; L249-L254 HydrophobicContact CB-CD2 4.37Å; L249-L254 HydrophobicContact CB-CG 4.26Å; L249-L254 HydrophobicContact CD1-CD2 4.02Å; T250-L254 WeakPolarHBondContact O-CG 3.16Å; T250-L254 PolarHBondContact O-N 2.77Å; D251-L254 PolarHBondContact O-N 3.01Å; L254-Q256 VanDerWaalsContact C-N 3.29Å; L254-Q256 PolarHBondContact O-N 3.14Å; L254-L257 PolarHBondContact O-N 3.13Å; L254-S258 WeakPolarHBondContact O-CB 3.26Å; L254-S258 PolarHBondContact O-N 3.06Å; L254-V266 HydrophobicContact CD2-CB 4.41Å; L254-V266 HydrophobicContact CD2-CG1 4.41Å
255	K	94.7	Very high	95.2	Very high	126 Å²	126	46.6 Å²	46.6	55%	0.548	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-39.2	172.9	-76.3	-179.9	-176.9	179.8	0	111.8	I229 D251 Q252 E253 S258 P259	I229-K255 HydrophobicContact CD1-CB 4.29Å; I229-K255 HydrophobicContact CD1-CG 3.53Å; I229-K255 HydrophobicContact CG1-CG 3.8Å; D251-K255 WeakPolarHBondContact O-CG 3.48Å; D251-K255 PolarHBondContact O-N 2.82Å; Q252-K255 PolarHBondContact O-N 3.49Å; E253-K255 VanDerWaalsContact C-N 3.32Å; E253-K255 PolarHBondContact O-N 2.99Å; K255-S258 PolarHBondContact O-OG 3.45Å; K255-S258 VanDerWaalsContact O-OG 3.13Å; K255-P259 WeakPolarHBondContact O-CD 3.38Å
256	Q	93.1	Very high	95	Very high	122 Å²	122	46.7 Å²	46.7	57%	0.57	25%	0.25	S	C	*	.	H	α-helix	trans	-71.4	-33.3	176	-68.2	171.5	-2.5	0	0	112.8	Q252 E253 L254 P259	Q252-Q256 WeakPolarHBondContact O-CG 3.29Å; Q252-Q256 PolarHBondContact O-N 3.23Å; E253-Q256 WeakPolarHBondContact O-CB 3.5Å; E253-Q256 PolarHBondContact O-N 3.36Å; E253-Q256 VanDerWaalsContact O-N 3.15Å; L254-Q256 VanDerWaalsContact C-N 3.29Å; L254-Q256 PolarHBondContact O-N 3.14Å; Q256-P259 WeakPolarHBondContact O-CD 3.43Å
257	L	93	Very high	94.9	Very high	13 Å²	13	47 Å²	47	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-79.4	-35.3	-179.4	-70.9	176.5	0	0	0	112.7	E253 L254 L260 F261 T294 K297	E253-L257 WeakPolarHBondContact O-CB 3.45Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.36Å; E253-L257 PolarHBondContact O-N 2.93Å; L254-L257 PolarHBondContact O-N 3.13Å; L257-L260 HydrophobicContact CD2-CD1 4.26Å; L257-L260 VanDerWaalsContact O-CB 3.26Å; L257-L260 WeakPolarHBondContact O-CB 3.2Å; L257-L260 PolarHBondContact O-N 3.29Å; L257-F261 HydrophobicContact CB-CE2 4.39Å; L257-F261 WeakPolarHBondContact O-CD2 3.44Å; L257-T294 HydrophobicContact CD2-CG2 4.03Å; L257-K297 HydrophobicContact CD1-CD 4.34Å; L257-K297 HydrophobicContact CD2-CD 4.5Å
258	S	94.3	Very high	94.7	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.07	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-52.5	-41.7	-172.4	64.4	0	0	0	0	115.5	L254 K255 L260 F261 G264	L254-S258 WeakPolarHBondContact O-CB 3.26Å; L254-S258 PolarHBondContact O-N 3.06Å; K255-S258 PolarHBondContact O-OG 3.45Å; K255-S258 VanDerWaalsContact O-OG 3.13Å; S258-L260 PolarHBondContact O-N 2.81Å; S258-L260 VanDerWaalsContact O-N 3.09Å; S258-F261 PolarHBondContact O-N 2.85Å; S258-G264 WeakPolarHBondContact O-CA 3.34Å
259	P	93.7	Very high	94.8	Very high	87 Å²	87	42.4 Å²	42.4	57%	0.565	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68	-13.6	-179.1	-17.5	34.1	0	0	0	113.7	K255 Q256 F261 T286	K255-P259 WeakPolarHBondContact O-CD 3.38Å; Q256-P259 WeakPolarHBondContact O-CD 3.43Å; P259-F261 VanDerWaalsContact C-N 3.3Å; P259-T286 PolarHBondContact O-OG1 3.18Å
260	L	93.4	Very high	94.9	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-82.7	-9.4	177.2	-51.2	177	0	0	0	112.4	L257 S258 Q285 T286 A290 T294	L257-L260 HydrophobicContact CD2-CD1 4.26Å; L257-L260 VanDerWaalsContact O-CB 3.26Å; L257-L260 WeakPolarHBondContact O-CB 3.2Å; L257-L260 PolarHBondContact O-N 3.29Å; S258-L260 PolarHBondContact O-N 2.81Å; S258-L260 VanDerWaalsContact O-N 3.09Å; L260-Q285 CarbonylContact O-C 3.53Å; L260-Q285 WeakPolarHBondContact O-CA 3.34Å; L260-Q285 WeakPolarHBondContact O-CB 3.42Å; L260-T286 PolarHBondContact O-N 3.21Å; L260-T286 PolarHBondContact O-OG1 2.94Å; L260-A290 HydrophobicContact CD1-CB 4.43Å; L260-A290 HydrophobicContact CD2-CB 4.41Å; L260-T294 VanDerWaalsContact CD1-OG1 3.26Å; L260-T294 WeakPolarHBondContact CD1-OG1 3.24Å
261	F	94.1	Very high	95	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-102.2	147.3	177	-71.2	-80.6	0	0	0	111.1	L257 S258 P259 D263 G264 R265 P267 M282 A283 Q285 T294 I298	L257-F261 HydrophobicContact CB-CE2 4.39Å; L257-F261 WeakPolarHBondContact O-CD2 3.44Å; S258-F261 PolarHBondContact O-N 2.85Å; P259-F261 VanDerWaalsContact C-N 3.3Å; F261-D263 PolarHBondContact O-N 2.97Å; F261-G264 PolarHBondContact O-N 2.89Å; F261-R265 WeakPolarHBondContact CB-O 3.24Å; F261-R265 WeakPolarHBondContact CG-O 3.4Å; F261-P267 HydrophobicContact CZ-CG 4.24Å; F261-M282 HydrophobicContact CD1-CG 4.35Å; F261-M282 HydrophobicContact CE1-CG 3.7Å; F261-M282 HydrophobicContact CE1-SD 3.94Å; F261-M282 HydrophobicContact CZ-SD 4.38Å; F261-A283 HydrophobicContact CD1-CB 4.49Å; F261-A283 WeakPolarHBondContact CD1-O 3.24Å; F261-Q285 HydrophobicContact CD1-CG 3.86Å; F261-Q285 HydrophobicContact CE1-CG 3.58Å; F261-Q285 HydrophobicContact CZ-CG 4.11Å; F261-T294 HydrophobicContact CE2-CG2 3.77Å; F261-T294 HydrophobicContact CZ-CG2 3.58Å; F261-I298 HydrophobicContact CE1-CD1 4.3Å; F261-I298 HydrophobicContact CE2-CD1 3.91Å; F261-I298 HydrophobicContact CZ-CD1 3.3Å
262	N	94.3	Very high	95.1	Very high	35 Å²	35	37 Å²	37	19%	0.187	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.3	128.2	171.5	-75.7	-17	0	0	0	110.2	G264 R265 A283 G284 T286 E389	N262-G264 PolarHBondContact O-N 3.15Å; N262-G264 VanDerWaalsContact O-N 3.11Å; N262-R265 WeakPolarHBondContact O-CB 3.17Å; N262-R265 WeakPolarHBondContact O-CG 3.26Å; N262-R265 PolarHBondContact O-N 3.29Å; N262-R265 VanDerWaalsContact O-N 3.11Å; N262-A283 HydrophobicContact CB-CB 4.46Å; N262-G284 PolarHBondContact N-O 3.43Å; N262-T286 WeakPolarHBondContact OD1-CG2 3.48Å; N262-E389 WeakPolarHBondContact CB-O 3.39Å; N262-E389 WeakPolarHBondContact ND2-CG 3.48Å; N262-E389 PolarHBondContact ND2-O 3.13Å
263	D	94.3	Very high	95.2	Very high	84 Å²	84	31.5 Å²	31.5	45%	0.449	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	53.6	27.4	-177.5	-168	36.5	0	0	0	114.4	S236 S238 F261 R265	S236-D263 WeakPolarHBondContact CB-O 3.15Å; S236-D263 PolarHBondContact OG-O 3.26Å; S238-D263 WeakPolarHBondContact CB-OD2 3.24Å; S238-D263 PolarHBondContact OG-OD2 2.74Å; F261-D263 PolarHBondContact O-N 2.97Å; D263-R265 HydrophobicContact CB-CG 4.16Å; D263-R265 PolarHBondContact O-N 2.84Å
264	G	94.4	Very high	95.1	Very high	9 Å²	9	40.4 Å²	40.4	9%	0.093	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	70.3	11	179.5	0	0	0	0	0	114.4	V235 S258 F261 N262 V266	V235-G264 WeakPolarHBondContact CG1-O 3.43Å; S258-G264 WeakPolarHBondContact O-CA 3.34Å; F261-G264 PolarHBondContact O-N 2.89Å; N262-G264 PolarHBondContact O-N 3.15Å; N262-G264 VanDerWaalsContact O-N 3.11Å; G264-V266 PolarHBondContact O-N 3.39Å
265	R	95.4	Very high	95.1	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	20%	0.203	C	C	.	.			trans	-78.1	88.6	-169.6	-63.5	-176.3	65.5	89.9	-1	112.1	S238 L239 F261 N262 D263 A283 E390 D391 A427	S238-R265 PolarHBondContact O-NH1 3.5Å; S238-R265 WeakPolarHBondContact OG-CD 3.38Å; S238-R265 PolarHBondContact OG-NH1 2.96Å; L239-R265 HydrophobicContact CD1-CB 4.42Å; L239-R265 HydrophobicContact CD2-CG 4.42Å; L239-R265 HydrophobicContact CG-CB 4.48Å; L239-R265 HydrophobicContact CG-CG 4.13Å; F261-R265 WeakPolarHBondContact CB-O 3.24Å; F261-R265 WeakPolarHBondContact CG-O 3.4Å; N262-R265 WeakPolarHBondContact O-CB 3.17Å; N262-R265 WeakPolarHBondContact O-CG 3.26Å; N262-R265 PolarHBondContact O-N 3.29Å; N262-R265 VanDerWaalsContact O-N 3.11Å; D263-R265 HydrophobicContact CB-CG 4.16Å; D263-R265 PolarHBondContact O-N 2.84Å; R265-A283 HydrophobicContact CB-CB 3.76Å; R265-E390 WeakPolarHBondContact CD-O 3.23Å; R265-E390 PolarHBondContact NE-O 3.42Å; R265-D391 IonicContact CZ-OD2 2.89Å; R265-D391 IonicContact NE-OD2 3.15Å; R265-D391 PolarHBondContact NE-OD2 3.1Å; R265-D391 PolarHBondContact NH2-O 2.91Å; R265-D391 IonicContact NH2-OD2 2.71Å; R265-D391 PolarHBondContact NH2-OD2 3.45Å; R265-A427 PolarHBondContact NH1-O 3.39Å; R265-A427 PolarHBondContact NH2-O 3.21Å
266	V	94.2	Very high	95.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.182	C	C	.	.			trans	-59.7	152.7	173.5	-63.1	0	0	0	0	111.5	L239 L254 G264 L268	L239-V266 HydrophobicContact CD1-CG2 4.25Å; L254-V266 HydrophobicContact CD2-CB 4.41Å; L254-V266 HydrophobicContact CD2-CG1 4.41Å; G264-V266 PolarHBondContact O-N 3.39Å; V266-L268 PolarHBondContact O-N 3.44Å
267	P	95.1	Very high	95.3	Very high	13 Å²	13	30.7 Å²	30.7	8%	0.084	16%	0.155	C	C	.	.			trans	-55.5	134	179.4	-21.9	28.7	0	0	0	112.7	F261 V280 R281 M282 I298	F261-P267 HydrophobicContact CZ-CG 4.24Å; P267-V280 HydrophobicContact CB-CG1 4Å; P267-R281 CarbonylContact C-O 3.59Å; P267-R281 VanDerWaalsContact CA-O 3.3Å; P267-R281 WeakPolarHBondContact CA-O 3.44Å; P267-M282 HydrophobicContact CB-CB 4.46Å; P267-M282 HydrophobicContact CB-CG 4.37Å; P267-M282 HydrophobicContact CG-CG 4Å; P267-M282 HydrophobicContact CG-SD 4.01Å; P267-I298 HydrophobicContact CB-CG2 4.36Å; P267-I298 HydrophobicContact CG-CD1 3.57Å; P267-I298 HydrophobicContact CG-CG1 4.04Å; P267-I298 HydrophobicContact CG-CG2 3.89Å
268	L	94.9	Very high	95.5	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.2	-176	-58.3	178.6	0	0	0	110.8	L239 V243 V266 V280 R281	L239-L268 HydrophobicContact CD1-CD2 4.45Å; L239-L268 HydrophobicContact CD2-CD1 3.61Å; L239-L268 HydrophobicContact CD2-CD2 3.92Å; L239-L268 HydrophobicContact CD2-CG 4.17Å; V243-L268 HydrophobicContact CB-CD2 3.68Å; V243-L268 HydrophobicContact CG1-CD2 3.49Å; V243-L268 VanDerWaalsContact CG1-CD2 3.49Å; V243-L268 HydrophobicContact CG2-CD2 4.5Å; V266-L268 PolarHBondContact O-N 3.44Å; L268-V280 CarbonylContact O-C 3.54Å; L268-V280 VanDerWaalsContact O-CA 3.31Å; L268-V280 WeakPolarHBondContact O-CA 3.01Å; L268-V280 WeakPolarHBondContact O-CG1 3.45Å; L268-R281 PolarHBondContact N-O 2.84Å; L268-R281 PolarHBondContact O-N 3.25Å
269	W	98.3	Very high	95.8	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.6	165.1	177.1	78.7	0	0	0	111.5	E215 I216 T219 A221 W224 V244 W271 N272	E215-W269 HydrophobicContact CG-CH2 4.02Å; E215-W269 HydrophobicContact CG-CZ3 4.11Å; I216-W269 HydrophobicContact CG1-CH2 4.31Å; I216-W269 HydrophobicContact CG1-CZ3 4.21Å; T219-W269 HydrophobicContact CG2-CH2 4.35Å; T219-W269 HydrophobicContact CG2-CZ2 4.43Å; T219-W269 WeakPolarHBondContact OG1-CH2 3.33Å; T219-W269 VanDerWaalsContact OG1-CZ2 3.28Å; T219-W269 WeakPolarHBondContact OG1-CZ2 3.38Å; A221-W269 HydrophobicContact CB-CZ2 3.72Å; W224-W269 HydrophobicContact CD2-CB 4.24Å; W224-W269 AromaticContact CD2-CD1 3.39Å; W224-W269 AromaticContact CD2-CG 3.94Å; W224-W269 HydrophobicContact CD2-CG 3.94Å; W224-W269 AromaticContact CE2-CD1 3.61Å; W224-W269 HydrophobicContact CE3-CB 3.48Å; W224-W269 VanDerWaalsContact CE3-CB 3.48Å; W224-W269 AromaticContact CE3-CD1 3.51Å; W224-W269 AromaticContact CE3-CG 3.68Å; W224-W269 HydrophobicContact CE3-CG 3.68Å; W224-W269 AromaticContact CG-CD1 3.9Å; W224-W269 HydrophobicContact CG-CG 4.4Å; W224-W269 HydrophobicContact CH2-CB 4.45Å; W224-W269 AromaticContact CZ2-CD1 3.97Å; W224-W269 HydrophobicContact CZ3-CB 3.59Å; W224-W269 AromaticContact CZ3-CD1 3.83Å; W224-W269 HydrophobicContact CZ3-CG 4.07Å; V244-W269 HydrophobicContact CB-CB 3.85Å; V244-W269 HydrophobicContact CB-CD2 4.28Å; V244-W269 HydrophobicContact CB-CE3 3.78Å; V244-W269 HydrophobicContact CB-CG 4.36Å; V244-W269 HydrophobicContact CG1-CB 3.67Å; V244-W269 HydrophobicContact CG1-CD2 3.78Å; V244-W269 HydrophobicContact CG1-CE3 3.64Å; V244-W269 HydrophobicContact CG1-CG 3.83Å; V244-W269 HydrophobicContact CG1-CZ3 4.49Å; V244-W269 HydrophobicContact CG2-CE3 4.12Å; V244-W269 VanDerWaalsContact O-CB 3.31Å; V244-W269 WeakPolarHBondContact O-CB 3.46Å; V244-W269 PolarHBondContact O-N 2.89Å; W269-W271 PolarHBondContact NE1-O 2.99Å; W269-N272 HydrophobicContact CZ2-CB 4.36Å; W269-N272 PolarHBondContact NE1-OD1 3.03Å
270	C	98	Very high	96	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-51.2	173.6	-67.4	0	0	0	0	111.6	L279 R281 K422 E423	C270-L279 HydrophobicContact CB-CB 4.34Å; C270-L279 HydrophobicContact CB-CD2 4.12Å; C270-L279 HydrophobicContact CB-CG 4.08Å; C270-L279 WeakPolarHBondContact CB-O 3.06Å; C270-L279 PolarHBondContact N-O 2.87Å; C270-R281 WeakPolarHBondContact SG-CD 3.22Å; C270-R281 WeakPolarHBondContact SG-CG 3.16Å; C270-K422 PolarHBondContact O-NZ 2.7Å; C270-E423 WeakPolarHBondContact CB-OE1 3.47Å; C270-E423 PolarHBondContact SG-OE1 3.34Å; C270-E423 PolarHBondContact SG-OE2 3.16Å
271	W	98.4	Very high	96.2	Very high	11 Å²	11	23.6 Å²	23.6	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	156.1	-167.7	-174.5	85	0	0	0	112.4	W269 H273 L279 Q403 L406 D407 Y410	W269-W271 PolarHBondContact NE1-O 2.99Å; W271-H273 HydrophobicContact CE3-CB 4.4Å; W271-H273 HydrophobicContact CH2-CB 3.72Å; W271-H273 AromaticContact CH2-CD2 3.45Å; W271-H273 VanDerWaalsContact CH2-CD2 3.45Å; W271-H273 WeakPolarHBondContact CH2-CD2 3.43Å; W271-H273 AromaticContact CH2-CG 3.92Å; W271-H273 HydrophobicContact CZ3-CB 3.43Å; W271-H273 VanDerWaalsContact CZ3-CB 3.43Å; W271-H273 AromaticContact CZ3-CD2 3.76Å; W271-L279 HydrophobicContact CB-CB 4.44Å; W271-L279 PolarHBondContact N-O 3.17Å; W271-L279 PolarHBondContact O-N 3.39Å; W271-Q403 HydrophobicContact CB-CG 3.73Å; W271-Q403 HydrophobicContact CG-CG 3.88Å; W271-L406 HydrophobicContact CE3-CD1 4.31Å; W271-L406 HydrophobicContact CH2-CB 3.68Å; W271-L406 HydrophobicContact CH2-CD1 4.03Å; W271-L406 HydrophobicContact CH2-CG 4.38Å; W271-L406 HydrophobicContact CZ2-CB 4.18Å; W271-L406 HydrophobicContact CZ3-CB 4.07Å; W271-L406 HydrophobicContact CZ3-CD1 3.57Å; W271-L406 HydrophobicContact CZ3-CG 4.4Å; W271-D407 HydrophobicContact CZ2-CB 3.96Å; W271-D407 PolarHBondContact NE1-OD2 3.4Å; W271-Y410 AromaticContact CD1-CE2 3.77Å
272	N	97.4	Very high	96.3	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.032	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.7	173.6	-98.9	44.8	0	0	0	112.2	A221 W224 W269 A278	A221-N272 HydrophobicContact CB-CB 3.83Å; W224-N272 PolarHBondContact NE1-OD1 3.31Å; W269-N272 HydrophobicContact CZ2-CB 4.36Å; W269-N272 PolarHBondContact NE1-OD1 3.03Å; N272-A278 VanDerWaalsContact OD1-CB 3.31Å; N272-A278 WeakPolarHBondContact OD1-CB 3.3Å
273	H	96.9	Very high	96.4	Very high	25 Å²	25	21.9 Å²	21.9	12%	0.116	10%	0.102	C	C	.	.			trans	-78.8	156	169.3	-165.2	-95.5	0	0	0	111.1	W271 N275 G276 S277 D378	W271-H273 HydrophobicContact CE3-CB 4.4Å; W271-H273 HydrophobicContact CH2-CB 3.72Å; W271-H273 AromaticContact CH2-CD2 3.45Å; W271-H273 VanDerWaalsContact CH2-CD2 3.45Å; W271-H273 WeakPolarHBondContact CH2-CD2 3.43Å; W271-H273 AromaticContact CH2-CG 3.92Å; W271-H273 HydrophobicContact CZ3-CB 3.43Å; W271-H273 VanDerWaalsContact CZ3-CB 3.43Å; W271-H273 AromaticContact CZ3-CD2 3.76Å; H273-N275 VanDerWaalsContact CB-OD1 3.25Å; H273-N275 WeakPolarHBondContact CB-OD1 3.34Å; H273-N275 PolarHBondContact ND1-N 3.33Å; H273-N275 PolarHBondContact ND1-ND2 3.26Å; H273-N275 VanDerWaalsContact ND1-ND2 3.11Å; H273-N275 PolarHBondContact ND1-OD1 2.97Å; H273-N275 PolarHBondContact O-N 3.39Å; H273-G276 WeakPolarHBondContact O-CA 3.21Å; H273-G276 PolarHBondContact O-N 3.3Å; H273-S277 WeakPolarHBondContact CB-O 3.44Å; H273-S277 PolarHBondContact N-O 3.13Å; H273-D378 IonicContact CE1-OD1 3.72Å; H273-D378 PolarHBondContact CE1-OD1 3.46Å; H273-D378 IonicContact NE2-OD1 2.72Å; H273-D378 PolarHBondContact NE2-OD1 2.95Å
274	R	93.4	Very high	96.3	Very high	234 Å²	234	18.4 Å²	18.4	88%	0.883	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.6	-179.1	-60.2	-175.5	-176	-155.8	4.6	113.7
275	N	94.8	Very high	96.1	Very high	38 Å²	38	19.3 Å²	19.3	20%	0.203	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.2	172.8	65.5	5.9	0	0	0	112.8	H273 S277 L377 N381	H273-N275 VanDerWaalsContact CB-OD1 3.25Å; H273-N275 WeakPolarHBondContact CB-OD1 3.34Å; H273-N275 PolarHBondContact ND1-N 3.33Å; H273-N275 PolarHBondContact ND1-ND2 3.26Å; H273-N275 VanDerWaalsContact ND1-ND2 3.11Å; H273-N275 PolarHBondContact ND1-OD1 2.97Å; H273-N275 PolarHBondContact O-N 3.39Å; N275-S277 VanDerWaalsContact OD1-CB 3.24Å; N275-S277 WeakPolarHBondContact OD1-CB 3.38Å; N275-S277 PolarHBondContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 3.49Å; N275-S277 VanDerWaalsContact OD1-OG 3.12Å; N275-L377 PolarHBondContact ND2-O 3.01Å; N275-N381 PolarHBondContact ND2-OD1 3.36Å
276	G	95.1	Very high	95.3	Very high	9 Å²	9	22.4 Å²	22.4	9%	0.093	11%	0.107	C	C	.	.	S	Bend	trans	91.7	-0.4	-177.3	0	0	0	0	0	115.6	H273	H273-G276 WeakPolarHBondContact O-CA 3.21Å; H273-G276 PolarHBondContact O-N 3.3Å
277	S	97.7	Very high	94.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.			trans	-67.8	134.5	171.1	-58.3	0	0	0	0	111.1	H273 N275 H306 N381 V382	H273-S277 WeakPolarHBondContact CB-O 3.44Å; H273-S277 PolarHBondContact N-O 3.13Å; N275-S277 VanDerWaalsContact OD1-CB 3.24Å; N275-S277 WeakPolarHBondContact OD1-CB 3.38Å; N275-S277 PolarHBondContact OD1-N 3.14Å; N275-S277 PolarHBondContact OD1-OG 3.49Å; N275-S277 VanDerWaalsContact OD1-OG 3.12Å; S277-H306 PolarHBondContact OG-NE2 2.86Å; S277-H306 VanDerWaalsContact OG-NE2 3.08Å; S277-N381 PolarHBondContact OG-O 2.89Å; S277-V382 WeakPolarHBondContact CB-O 3.27Å; S277-V382 PolarHBondContact OG-N 3.45Å
278	A	98.4	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.9	-177.2	0	0	0	0	0	111.4	W224 N272 V280 S383 V384	W224-A278 HydrophobicContact CH2-CB 4.31Å; W224-A278 HydrophobicContact CZ2-CB 3.39Å; N272-A278 VanDerWaalsContact OD1-CB 3.31Å; N272-A278 WeakPolarHBondContact OD1-CB 3.3Å; A278-V280 HydrophobicContact CB-CG2 4.36Å; A278-S383 PolarHBondContact N-OG 3.05Å; A278-S383 CarbonylContact O-C 3.49Å; A278-S383 VanDerWaalsContact O-CA 3.23Å; A278-S383 WeakPolarHBondContact O-CA 3.43Å; A278-S383 WeakPolarHBondContact O-CB 3.44Å; A278-V384 PolarHBondContact O-N 3.23Å
279	L	98.8	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.2	166.8	-179.1	65.6	0	0	0	108.8	C270 W271 T373 L377 V384 L386 V402 Q403	C270-L279 HydrophobicContact CB-CB 4.34Å; C270-L279 HydrophobicContact CB-CD2 4.12Å; C270-L279 HydrophobicContact CB-CG 4.08Å; C270-L279 WeakPolarHBondContact CB-O 3.06Å; C270-L279 PolarHBondContact N-O 2.87Å; W271-L279 HydrophobicContact CB-CB 4.44Å; W271-L279 PolarHBondContact N-O 3.17Å; W271-L279 PolarHBondContact O-N 3.39Å; L279-T373 HydrophobicContact CD1-CG2 3.99Å; L279-L377 HydrophobicContact CB-CD1 4.32Å; L279-L377 HydrophobicContact CD1-CD1 4.36Å; L279-V384 HydrophobicContact CD1-CB 4.39Å; L279-L386 HydrophobicContact CD1-CD1 3.93Å; L279-L386 HydrophobicContact CD1-CD2 4.49Å; L279-L386 HydrophobicContact CD1-CG 3.93Å; L279-V402 HydrophobicContact CD2-CB 4.08Å; L279-V402 HydrophobicContact CD2-CG1 3.8Å; L279-Q403 HydrophobicContact CD2-CG 4.33Å
280	V	98.7	Very high	91.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.1	-174.9	-177.2	0	0	0	0	109	W224 P267 L268 A278 I302 V384 V385 L386	W224-V280 HydrophobicContact CH2-CG2 3.47Å; W224-V280 VanDerWaalsContact CH2-CG2 3.47Å; W224-V280 HydrophobicContact CZ2-CG2 4.13Å; W224-V280 HydrophobicContact CZ3-CG2 4.31Å; P267-V280 HydrophobicContact CB-CG1 4Å; L268-V280 CarbonylContact O-C 3.54Å; L268-V280 VanDerWaalsContact O-CA 3.31Å; L268-V280 WeakPolarHBondContact O-CA 3.01Å; L268-V280 WeakPolarHBondContact O-CG1 3.45Å; A278-V280 HydrophobicContact CB-CG2 4.36Å; V280-I302 HydrophobicContact CB-CD1 4.39Å; V280-I302 HydrophobicContact CG1-CD1 4.2Å; V280-I302 HydrophobicContact CG2-CD1 4.05Å; V280-I302 HydrophobicContact CG2-CG1 4.44Å; V280-V384 PolarHBondContact N-O 2.88Å; V280-V385 HydrophobicContact CB-CG2 4.13Å; V280-V385 HydrophobicContact CG1-CG2 4.47Å; V280-V385 CarbonylContact O-C 3.54Å; V280-V385 WeakPolarHBondContact O-CA 3.47Å; V280-L386 PolarHBondContact O-N 3.07Å
281	R	97.7	Very high	90.8	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144	170.3	-73.9	168.3	61.8	157.8	10.6	110.3	P267 L268 C270 L386 D391 N395 C396 E423	P267-R281 CarbonylContact C-O 3.59Å; P267-R281 VanDerWaalsContact CA-O 3.3Å; P267-R281 WeakPolarHBondContact CA-O 3.44Å; L268-R281 PolarHBondContact N-O 2.84Å; L268-R281 PolarHBondContact O-N 3.25Å; C270-R281 WeakPolarHBondContact SG-CD 3.22Å; C270-R281 WeakPolarHBondContact SG-CG 3.16Å; R281-L386 CarbonylContact C-O 3.57Å; R281-D391 WeakPolarHBondContact CB-OD1 3.21Å; R281-D391 IonicContact CZ-OD1 3.88Å; R281-D391 IonicContact NE-OD1 3.27Å; R281-D391 PolarHBondContact NE-OD1 3.27Å; R281-D391 PolarHBondContact NH2-O 3.19Å; R281-D391 VanDerWaalsContact NH2-O 3.13Å; R281-D391 IonicContact NH2-OD1 3.87Å; R281-D391 PolarHBondContact NH2-OD1 3.43Å; R281-N395 HydrophobicContact CG-CB 3.97Å; R281-N395 VanDerWaalsContact NE-CB 3.33Å; R281-C396 PolarHBondContact NH1-SG 2.88Å; R281-C396 PolarHBondContact NH2-SG 2.88Å; R281-E423 WeakPolarHBondContact CD-OE2 3.02Å; R281-E423 PolarHBondContact NH1-O 3.02Å; R281-E423 IonicContact NH1-OE2 3.86Å; R281-E423 PolarHBondContact NH1-OE2 3.42Å; R281-E423 VanDerWaalsContact NH1-OE2 3.15Å
282	M	96.7	Very high	90.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.2	-178.3	-172.6	169	77.4	0	0	110.2	F261 P267 I298 F299 V385 L386 L387 E388	F261-M282 HydrophobicContact CD1-CG 4.35Å; F261-M282 HydrophobicContact CE1-CG 3.7Å; F261-M282 HydrophobicContact CE1-SD 3.94Å; F261-M282 HydrophobicContact CZ-SD 4.38Å; P267-M282 HydrophobicContact CB-CB 4.46Å; P267-M282 HydrophobicContact CB-CG 4.37Å; P267-M282 HydrophobicContact CG-CG 4Å; P267-M282 HydrophobicContact CG-SD 4.01Å; M282-I298 HydrophobicContact SD-CD1 4.24Å; M282-I298 HydrophobicContact SD-CG2 4.45Å; M282-F299 HydrophobicContact CE-CE1 4.48Å; M282-V385 HydrophobicContact CB-CG1 3.68Å; M282-V385 HydrophobicContact CE-CG1 4.04Å; M282-V385 HydrophobicContact SD-CG1 4.22Å; M282-L386 PolarHBondContact N-O 2.62Å; M282-L387 HydrophobicContact CB-CD1 4.46Å; M282-L387 HydrophobicContact CE-CD1 3.83Å; M282-L387 HydrophobicContact CG-CD1 4.41Å; M282-L387 WeakPolarHBondContact O-CA 3.21Å; M282-E388 PolarHBondContact O-N 2.83Å
283	A	96.2	Very high	89.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	161.1	171.4	0	0	0	0	0	111.4	F261 N262 R265 L387 E388 D391	F261-A283 HydrophobicContact CD1-CB 4.49Å; F261-A283 WeakPolarHBondContact CD1-O 3.24Å; N262-A283 HydrophobicContact CB-CB 4.46Å; R265-A283 HydrophobicContact CB-CB 3.76Å; A283-L387 WeakPolarHBondContact O-CD1 3.5Å; A283-E388 CarbonylContact C-O 3.49Å; A283-E388 VanDerWaalsContact CA-O 3.24Å; A283-E388 WeakPolarHBondContact CA-O 3.35Å; A283-D391 HydrophobicContact CB-CB 3.86Å
284	G	92.6	Very high	89.3	Confident	12 Å²	12	59.4 Å²	59.4	12%	0.124	29%	0.286	C	S	.	.			trans	-58.4	158.2	168.5	0	0	0	0	0	112.2	N262 E388 E389	N262-G284 PolarHBondContact N-O 3.43Å; G284-E388 PolarHBondContact N-O 3.37Å; G284-E389 PolarHBondContact N-O 3.37Å
285	Q	89.3	Confident	89.2	Confident	28 Å²	28	50 Å²	50	13%	0.131	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-105.5	139.1	178.9	-71.3	170.4	68	0	0	110.8	L260 F261 Q291 T294 E295	L260-Q285 CarbonylContact O-C 3.53Å; L260-Q285 WeakPolarHBondContact O-CA 3.34Å; L260-Q285 WeakPolarHBondContact O-CB 3.42Å; F261-Q285 HydrophobicContact CD1-CG 3.86Å; F261-Q285 HydrophobicContact CE1-CG 3.58Å; F261-Q285 HydrophobicContact CZ-CG 4.11Å; Q285-Q291 HydrophobicContact CB-CG 4.46Å; Q285-Q291 VanDerWaalsContact OE1-CA 3.27Å; Q285-Q291 PolarHBondContact OE1-O 3.17Å; Q285-T294 VanDerWaalsContact OE1-CB 3.26Å; Q285-T294 VanDerWaalsContact OE1-CG2 3.32Å; Q285-E295 PolarHBondContact NE2-OE1 3.15Å
286	T	79.4	Confident	89.1	Confident	65 Å²	65	53.7 Å²	53.7	40%	0.399	27%	0.271	S	S	.	.	S	Bend	trans	-79.2	-25.2	-174.7	47.9	0	0	0	0	113.2	P259 L260 N262	P259-T286 PolarHBondContact O-OG1 3.18Å; L260-T286 PolarHBondContact O-N 3.21Å; L260-T286 PolarHBondContact O-OG1 2.94Å; N262-T286 WeakPolarHBondContact OD1-CG2 3.48Å
287	E	77.1	Confident	89.1	Confident	103 Å²	103	56.5 Å²	56.5	48%	0.481	28%	0.281	S	S	.	.			trans	-119.4	100.3	-171	-74	-68.5	165.1	0	0	111.9	L289 A290 Q291	E287-L289 PolarHBondContact O-N 3.48Å; E287-L289 VanDerWaalsContact O-N 3.14Å; E287-A290 HydrophobicContact CB-CB 4.19Å; E287-A290 PolarHBondContact O-N 2.9Å; E287-A290 VanDerWaalsContact O-N 3.15Å; E287-Q291 PolarHBondContact O-N 3.31Å; E287-Q291 VanDerWaalsContact O-N 3.12Å
288	P	74.8	Confident	88.9	Confident	98 Å²	98	56.7 Å²	56.7	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-59.2	-30.4	-176.5	-25.7	34.1	0	0	0	114.2	Q291	P288-Q291 WeakPolarHBondContact O-CB 3.42Å; P288-Q291 PolarHBondContact O-N 2.98Å
289	L	73.3	Confident	88.8	Confident	172 Å²	172	58.5 Å²	58.5	90%	0.901	29%	0.289	S	S	*	.	H	α-helix	trans	-73.2	-32.4	-178.9	-68	170.7	0	0	0	112.6	E287	E287-L289 PolarHBondContact O-N 3.48Å; E287-L289 VanDerWaalsContact O-N 3.14Å
290	A	76.9	Confident	88.8	Confident	30 Å²	30	61 Å²	61	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-87.3	-16	176.9	0	0	0	0	0	112.4	L260 E287 R292 K293 T294	L260-A290 HydrophobicContact CD1-CB 4.43Å; L260-A290 HydrophobicContact CD2-CB 4.41Å; E287-A290 HydrophobicContact CB-CB 4.19Å; E287-A290 PolarHBondContact O-N 2.9Å; E287-A290 VanDerWaalsContact O-N 3.15Å; A290-R292 PolarHBondContact O-N 2.99Å; A290-K293 PolarHBondContact O-N 3.12Å; A290-K293 VanDerWaalsContact O-N 3.07Å; A290-T294 PolarHBondContact O-N 2.84Å; A290-T294 PolarHBondContact O-OG1 3.47Å
291	Q	83.2	Confident	88.7	Confident	67 Å²	67	61.1 Å²	61.1	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-50.6	-54.4	-170.4	-175.5	176.7	1.1	0	0	113.2	Q285 E287 P288 K293 T294 E295	Q285-Q291 HydrophobicContact CB-CG 4.46Å; Q285-Q291 VanDerWaalsContact OE1-CA 3.27Å; Q285-Q291 PolarHBondContact OE1-O 3.17Å; E287-Q291 PolarHBondContact O-N 3.31Å; E287-Q291 VanDerWaalsContact O-N 3.12Å; P288-Q291 WeakPolarHBondContact O-CB 3.42Å; P288-Q291 PolarHBondContact O-N 2.98Å; Q291-K293 VanDerWaalsContact C-N 3.29Å; Q291-K293 PolarHBondContact O-N 3.16Å; Q291-T294 PolarHBondContact O-N 3.3Å; Q291-E295 HydrophobicContact CG-CG 4.28Å; Q291-E295 VanDerWaalsContact CG-OE1 3.22Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.44Å; Q291-E295 PolarHBondContact NE2-OE1 2.88Å; Q291-E295 WeakPolarHBondContact O-CB 3.4Å; Q291-E295 VanDerWaalsContact O-CG 3.32Å; Q291-E295 WeakPolarHBondContact O-CG 3.32Å; Q291-E295 PolarHBondContact O-N 2.79Å
292	R	84.6	Confident	88.7	Confident	212 Å²	212	61.1 Å²	61.1	80%	0.8	31%	0.306	S	S	*	.	H	α-helix	trans	-60.2	-37.9	-178	-69.5	-177.2	179	174.4	0.3	113.1	A290 L296	A290-R292 PolarHBondContact O-N 2.99Å; R292-L296 VanDerWaalsContact O-CB 3.23Å; R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 3.41Å
293	K	88.7	Confident	88.8	Confident	172 Å²	172	62.8 Å²	62.8	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-70.9	-42.2	-179.4	-175.9	-178.1	177.8	-176.9	0	110.7	A290 Q291 K297	A290-K293 PolarHBondContact O-N 3.12Å; A290-K293 VanDerWaalsContact O-N 3.07Å; Q291-K293 VanDerWaalsContact C-N 3.29Å; Q291-K293 PolarHBondContact O-N 3.16Å; K293-K297 WeakPolarHBondContact O-CB 3.48Å; K293-K297 PolarHBondContact O-N 3.01Å; K293-K297 VanDerWaalsContact O-N 3.08Å
294	T	88.8	Confident	88.8	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-48.8	177.5	-64.2	0	0	0	0	111.4	L257 L260 F261 Q285 A290 Q291 L296 K297 I298	L257-T294 HydrophobicContact CD2-CG2 4.03Å; L260-T294 VanDerWaalsContact CD1-OG1 3.26Å; L260-T294 WeakPolarHBondContact CD1-OG1 3.24Å; F261-T294 HydrophobicContact CE2-CG2 3.77Å; F261-T294 HydrophobicContact CZ-CG2 3.58Å; Q285-T294 VanDerWaalsContact OE1-CB 3.26Å; Q285-T294 VanDerWaalsContact OE1-CG2 3.32Å; A290-T294 PolarHBondContact O-N 2.84Å; A290-T294 PolarHBondContact O-OG1 3.47Å; Q291-T294 PolarHBondContact O-N 3.3Å; T294-L296 PolarHBondContact O-N 2.8Å; T294-K297 WeakPolarHBondContact O-CB 3.47Å; T294-K297 PolarHBondContact O-N 3.17Å; T294-K297 VanDerWaalsContact O-N 3.16Å; T294-I298 HydrophobicContact CG2-CD1 3.79Å; T294-I298 PolarHBondContact O-N 3.32Å
295	E	90.5	Very high	89.1	Confident	35 Å²	35	68.6 Å²	68.6	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-48.6	175.4	-72.4	175.2	177.1	0	0	111.4	Q285 Q291 K297 I298 F299	Q285-E295 PolarHBondContact NE2-OE1 3.15Å; Q291-E295 HydrophobicContact CG-CG 4.28Å; Q291-E295 VanDerWaalsContact CG-OE1 3.22Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.44Å; Q291-E295 PolarHBondContact NE2-OE1 2.88Å; Q291-E295 WeakPolarHBondContact O-CB 3.4Å; Q291-E295 VanDerWaalsContact O-CG 3.32Å; Q291-E295 WeakPolarHBondContact O-CG 3.32Å; Q291-E295 PolarHBondContact O-N 2.79Å; E295-K297 VanDerWaalsContact C-N 3.26Å; E295-K297 PolarHBondContact O-N 2.85Å; E295-I298 PolarHBondContact O-N 2.78Å; E295-F299 HydrophobicContact CB-CD2 4.46Å; E295-F299 HydrophobicContact CB-CE2 4.13Å; E295-F299 HydrophobicContact CB-CZ 4.35Å; E295-F299 WeakPolarHBondContact O-CB 3.38Å; E295-F299 VanDerWaalsContact O-CG 3.23Å; E295-F299 WeakPolarHBondContact O-CG 3.47Å; E295-F299 PolarHBondContact O-N 3.11Å
296	L	92.4	Very high	89.4	Confident	116 Å²	116	67.4 Å²	67.4	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-57.7	-41.2	178	-179	62.9	0	0	0	111.6	R292 T294 T300	R292-L296 VanDerWaalsContact O-CB 3.23Å; R292-L296 WeakPolarHBondContact O-CB 3.42Å; R292-L296 PolarHBondContact O-N 3.41Å; T294-L296 PolarHBondContact O-N 2.8Å; L296-T300 VanDerWaalsContact O-CB 3.22Å; L296-T300 WeakPolarHBondContact O-CB 3.34Å; L296-T300 PolarHBondContact O-N 3.25Å; L296-T300 PolarHBondContact O-OG1 3.29Å
297	K	94.6	Very high	90.2	Very high	69 Å²	69	69 Å²	69	30%	0.3	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-44.8	178.6	-173.4	166.7	-177.5	169.6	0	111.8	E253 L257 K293 T294 E295 A301	E253-K297 WeakPolarHBondContact OE1-CE 3.45Å; E253-K297 IonicContact OE1-NZ 3.26Å; E253-K297 PolarHBondContact OE1-NZ 3.04Å; L257-K297 HydrophobicContact CD1-CD 4.34Å; L257-K297 HydrophobicContact CD2-CD 4.5Å; K293-K297 WeakPolarHBondContact O-CB 3.48Å; K293-K297 PolarHBondContact O-N 3.01Å; K293-K297 VanDerWaalsContact O-N 3.08Å; T294-K297 WeakPolarHBondContact O-CB 3.47Å; T294-K297 PolarHBondContact O-N 3.17Å; T294-K297 VanDerWaalsContact O-N 3.16Å; E295-K297 VanDerWaalsContact C-N 3.26Å; E295-K297 PolarHBondContact O-N 2.85Å; K297-A301 PolarHBondContact O-N 2.89Å; K297-A301 VanDerWaalsContact O-N 3.12Å
298	I	95.1	Very high	91.1	Very high	3 Å²	3	70 Å²	70	2%	0.015	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-48.7	178.9	-71.5	159	0	0	0	110.8	F261 P267 M282 T294 E295 T300 A301 I302	F261-I298 HydrophobicContact CE1-CD1 4.3Å; F261-I298 HydrophobicContact CE2-CD1 3.91Å; F261-I298 HydrophobicContact CZ-CD1 3.3Å; P267-I298 HydrophobicContact CB-CG2 4.36Å; P267-I298 HydrophobicContact CG-CD1 3.57Å; P267-I298 HydrophobicContact CG-CG1 4.04Å; P267-I298 HydrophobicContact CG-CG2 3.89Å; M282-I298 HydrophobicContact SD-CD1 4.24Å; M282-I298 HydrophobicContact SD-CG2 4.45Å; T294-I298 HydrophobicContact CG2-CD1 3.79Å; T294-I298 PolarHBondContact O-N 3.32Å; E295-I298 PolarHBondContact O-N 2.78Å; I298-T300 VanDerWaalsContact C-N 3.29Å; I298-T300 PolarHBondContact O-N 3.08Å; I298-A301 WeakPolarHBondContact O-CA 3.28Å; I298-A301 WeakPolarHBondContact O-CB 3.49Å; I298-A301 PolarHBondContact O-N 3.02Å; I298-I302 HydrophobicContact CG2-CD1 3.72Å; I298-I302 HydrophobicContact CG2-CG1 4.4Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 PolarHBondContact O-N 2.98Å
299	F	96.2	Very high	92.1	Very high	38 Å²	38	73.1 Å²	73.1	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-39.1	178.8	-64.3	-10.8	0	0	0	111	M282 E295 A301 I302 T303 V312 F314 V385	M282-F299 HydrophobicContact CE-CE1 4.48Å; E295-F299 HydrophobicContact CB-CD2 4.46Å; E295-F299 HydrophobicContact CB-CE2 4.13Å; E295-F299 HydrophobicContact CB-CZ 4.35Å; E295-F299 WeakPolarHBondContact O-CB 3.38Å; E295-F299 VanDerWaalsContact O-CG 3.23Å; E295-F299 WeakPolarHBondContact O-CG 3.47Å; E295-F299 PolarHBondContact O-N 3.11Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.45Å; F299-I302 PolarHBondContact O-N 2.93Å; F299-T303 WeakPolarHBondContact O-CB 3.46Å; F299-T303 PolarHBondContact O-N 3.35Å; F299-T303 PolarHBondContact O-OG1 3.38Å; F299-V312 HydrophobicContact CB-CB 4.5Å; F299-V312 HydrophobicContact CD1-CG1 4.23Å; F299-F314 HydrophobicContact CE2-CD1 4.3Å; F299-F314 HydrophobicContact CZ-CB 4.24Å; F299-F314 HydrophobicContact CZ-CD1 4.19Å; F299-F314 HydrophobicContact CZ-CG 4.4Å; F299-V385 HydrophobicContact CD1-CG2 4.29Å; F299-V385 HydrophobicContact CE1-CB 4.34Å; F299-V385 HydrophobicContact CE1-CG1 4.46Å; F299-V385 HydrophobicContact CE1-CG2 3.95Å
300	T	97.4	Very high	93.1	Very high	53 Å²	53	70.5 Å²	70.5	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-40.2	173.2	-61.1	0	0	0	0	111.9	L296 I298 R304	L296-T300 VanDerWaalsContact O-CB 3.22Å; L296-T300 WeakPolarHBondContact O-CB 3.34Å; L296-T300 PolarHBondContact O-N 3.25Å; L296-T300 PolarHBondContact O-OG1 3.29Å; I298-T300 VanDerWaalsContact C-N 3.29Å; I298-T300 PolarHBondContact O-N 3.08Å; T300-R304 WeakPolarHBondContact O-CB 3.46Å; T300-R304 VanDerWaalsContact O-CG 3.24Å; T300-R304 WeakPolarHBondContact O-CG 3.43Å; T300-R304 PolarHBondContact O-N 2.49Å
301	A	97.8	Very high	93.8	Very high	3 Å²	3	76.8 Å²	76.8	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-67.5	-41.2	177	0	0	0	0	0	112.4	P246 S248 L249 K297 I298 F299 R304 S305	P246-A301 HydrophobicContact CB-CB 4.06Å; P246-A301 HydrophobicContact CG-CB 4.1Å; S248-A301 WeakPolarHBondContact OG-CB 3.5Å; L249-A301 HydrophobicContact CD1-CB 3.96Å; L249-A301 HydrophobicContact CD2-CB 3.78Å; L249-A301 HydrophobicContact CG-CB 3.6Å; K297-A301 PolarHBondContact O-N 2.89Å; K297-A301 VanDerWaalsContact O-N 3.12Å; I298-A301 WeakPolarHBondContact O-CA 3.28Å; I298-A301 WeakPolarHBondContact O-CB 3.49Å; I298-A301 PolarHBondContact O-N 3.02Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 3.45Å; A301-R304 WeakPolarHBondContact O-CB 3.15Å; A301-R304 PolarHBondContact O-N 3.28Å; A301-S305 PolarHBondContact O-N 3.22Å; A301-S305 VanDerWaalsContact O-N 3.16Å
302	I	97.9	Very high	94.4	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-68.6	-40	176.3	-61.3	168.1	0	0	0	110.9	W224 P246 V280 I298 F299 R304 S305 H306 V312 V385	W224-I302 HydrophobicContact CH2-CG1 4.13Å; P246-I302 HydrophobicContact CG-CG1 4.37Å; V280-I302 HydrophobicContact CB-CD1 4.39Å; V280-I302 HydrophobicContact CG1-CD1 4.2Å; V280-I302 HydrophobicContact CG2-CD1 4.05Å; V280-I302 HydrophobicContact CG2-CG1 4.44Å; I298-I302 HydrophobicContact CG2-CD1 3.72Å; I298-I302 HydrophobicContact CG2-CG1 4.4Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 PolarHBondContact O-N 2.98Å; F299-I302 PolarHBondContact O-N 2.93Å; I302-R304 VanDerWaalsContact C-N 3.26Å; I302-R304 PolarHBondContact O-N 2.82Å; I302-S305 PolarHBondContact O-N 3.42Å; I302-S305 VanDerWaalsContact O-N 3.15Å; I302-S305 PolarHBondContact O-OG 3.11Å; I302-H306 PolarHBondContact O-N 2.68Å; I302-V312 HydrophobicContact CB-CG2 3.86Å; I302-V312 HydrophobicContact CG2-CG1 4.29Å; I302-V312 HydrophobicContact CG2-CG2 3.62Å; I302-V385 HydrophobicContact CD1-CG2 3.57Å
303	T	97.9	Very high	95	Very high	35 Å²	35	67 Å²	67	22%	0.215	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-40.9	172.6	-63.2	0	0	0	0	110.6	F299 S305 H306 R309	F299-T303 WeakPolarHBondContact O-CB 3.46Å; F299-T303 PolarHBondContact O-N 3.35Å; F299-T303 PolarHBondContact O-OG1 3.38Å; T303-S305 VanDerWaalsContact C-N 3.29Å; T303-S305 PolarHBondContact O-N 3.06Å; T303-H306 PolarHBondContact O-N 3.2Å; T303-R309 HydrophobicContact CG2-CB 4.03Å; T303-R309 WeakPolarHBondContact CG2-O 3.44Å; T303-R309 WeakPolarHBondContact O-CA 3.45Å
304	R	97.3	Very high	95.2	Very high	128 Å²	128	63.7 Å²	63.7	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-28.5	177.6	-76.1	171	180	-176.7	-0.1	113.3	T300 A301 I302 H306	T300-R304 WeakPolarHBondContact O-CB 3.46Å; T300-R304 VanDerWaalsContact O-CG 3.24Å; T300-R304 WeakPolarHBondContact O-CG 3.43Å; T300-R304 PolarHBondContact O-N 2.49Å; A301-R304 WeakPolarHBondContact O-CB 3.15Å; A301-R304 PolarHBondContact O-N 3.28Å; I302-R304 VanDerWaalsContact C-N 3.26Å; I302-R304 PolarHBondContact O-N 2.82Å; R304-H306 VanDerWaalsContact C-N 3.31Å
305	S	97	Very high	95.6	Very high	7 Å²	7	64.5 Å²	64.5	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-79.1	-14.9	177.6	72.5	0	0	0	0	113.6	W224 A301 I302 T303	W224-S305 WeakPolarHBondContact CZ2-OG 3.13Å; W224-S305 PolarHBondContact NE1-OG 2.99Å; A301-S305 PolarHBondContact O-N 3.22Å; A301-S305 VanDerWaalsContact O-N 3.16Å; I302-S305 PolarHBondContact O-N 3.42Å; I302-S305 VanDerWaalsContact O-N 3.15Å; I302-S305 PolarHBondContact O-OG 3.11Å; T303-S305 VanDerWaalsContact C-N 3.29Å; T303-S305 PolarHBondContact O-N 3.06Å
306	H	97.1	Very high	95.8	Very high	3 Å²	3	64 Å²	64	1%	0.014	31%	0.305	C	S	.	.	S	Bend	trans	-79.8	129.1	173.1	-165.6	-69.5	0	0	0	110.8	S277 I302 T303 R304 Q308 R309 N381	S277-H306 PolarHBondContact OG-NE2 2.86Å; S277-H306 VanDerWaalsContact OG-NE2 3.08Å; I302-H306 PolarHBondContact O-N 2.68Å; T303-H306 PolarHBondContact O-N 3.2Å; R304-H306 VanDerWaalsContact C-N 3.31Å; H306-Q308 VanDerWaalsContact C-N 3.28Å; H306-Q308 PolarHBondContact ND1-N 3.22Å; H306-Q308 VanDerWaalsContact ND1-N 3.13Å; H306-Q308 PolarHBondContact O-N 3.42Å; H306-R309 WeakPolarHBondContact O-CA 3.5Å; H306-R309 PolarHBondContact O-N 3.11Å; H306-N381 PolarHBondContact NE2-O 3.48Å
307	P	95.2	Very high	96.1	Very high	99 Å²	99	58.5 Å²	58.5	64%	0.643	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-40	-177.7	-27	34.2	0	0	0	113.9
308	Q	95.8	Very high	96.2	Very high	122 Å²	122	58.6 Å²	58.6	57%	0.57	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.7	175.7	-61.9	-177.1	-1.7	0	0	114.7	H306 R310	H306-Q308 VanDerWaalsContact C-N 3.28Å; H306-Q308 PolarHBondContact ND1-N 3.22Å; H306-Q308 VanDerWaalsContact ND1-N 3.13Å; H306-Q308 PolarHBondContact O-N 3.42Å; Q308-R310 HydrophobicContact CB-CG 3.97Å; Q308-R310 PolarHBondContact O-N 3.27Å; Q308-R310 VanDerWaalsContact OE1-NH2 3.11Å
309	R	95.6	Very high	96.2	Very high	164 Å²	164	68.4 Å²	68.4	62%	0.619	32%	0.317	S	S	*	.			trans	48.1	43.3	-176.3	-59.8	-172.4	176.6	-139.2	-2.5	114.2	T303 H306	T303-R309 HydrophobicContact CG2-CB 4.03Å; T303-R309 WeakPolarHBondContact CG2-O 3.44Å; T303-R309 WeakPolarHBondContact O-CA 3.45Å; H306-R309 WeakPolarHBondContact O-CA 3.5Å; H306-R309 PolarHBondContact O-N 3.11Å
310	R	94.8	Very high	96.1	Very high	118 Å²	118	70.5 Å²	70.5	45%	0.445	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-67.4	151	177.8	-68.1	-76.9	-176.8	172.1	1.7	110.1	Q308 N381 V382	Q308-R310 HydrophobicContact CB-CG 3.97Å; Q308-R310 PolarHBondContact O-N 3.27Å; Q308-R310 VanDerWaalsContact OE1-NH2 3.11Å; R310-N381 WeakPolarHBondContact CG-O 3.37Å; R310-V382 HydrophobicContact CB-CG1 4.29Å
311	E	92.3	Very high	96.2	Very high	162 Å²	162	68.5 Å²	68.5	76%	0.757	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-60.6	152.8	174.3	-67.2	-175.4	165.4	0	0	111.4	V382	E311-V382 WeakPolarHBondContact O-CB 3.4Å
312	V	96.3	Very high	96.2	Very high	24 Å²	24	68.6 Å²	68.6	15%	0.145	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-96.8	132.5	179.4	-178	0	0	0	0	108.5	F299 I302 V385	F299-V312 HydrophobicContact CB-CB 4.5Å; F299-V312 HydrophobicContact CD1-CG1 4.23Å; I302-V312 HydrophobicContact CB-CG2 3.86Å; I302-V312 HydrophobicContact CG2-CG1 4.29Å; I302-V312 HydrophobicContact CG2-CG2 3.62Å; V312-V385 HydrophobicContact CG1-CG2 3.66Å
313	T	95.9	Very high	96.1	Very high	48 Å²	48	72.3 Å²	72.3	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.7	169.4	-57.7	0	0	0	0	108.8	S383 V384 V385	T313-S383 PolarHBondContact N-O 3.49Å; T313-V384 CarbonylContact O-C 3.52Å; T313-V384 VanDerWaalsContact O-CA 3.26Å; T313-V384 WeakPolarHBondContact O-CA 3.28Å; T313-V385 PolarHBondContact O-N 2.95Å
314	F	93.9	Very high	96	Very high	103 Å²	103	72.5 Å²	72.5	45%	0.452	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.2	169.9	75.9	-85.7	0	0	0	111.1	F299 V385	F299-F314 HydrophobicContact CE2-CD1 4.3Å; F299-F314 HydrophobicContact CZ-CB 4.24Å; F299-F314 HydrophobicContact CZ-CD1 4.19Å; F299-F314 HydrophobicContact CZ-CG 4.4Å; F314-V385 CarbonylContact C-O 3.54Å; F314-V385 WeakPolarHBondContact CA-O 3.39Å; F314-V385 HydrophobicContact CB-CB 4.04Å; F314-V385 WeakPolarHBondContact CB-O 3.4Å
315	T	95.9	Very high	96	Very high	23 Å²	23	70 Å²	70	14%	0.141	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.3	178.4	-54.3	0	0	0	0	108.1	L317 V369 V385 L387	T315-L317 HydrophobicContact CG2-CD2 4.06Å; T315-L317 PolarHBondContact O-N 3.39Å; T315-V369 HydrophobicContact CG2-CG1 4.38Å; T315-V385 PolarHBondContact N-O 3.23Å; T315-L387 PolarHBondContact O-N 3.33Å
316	D	96.4	Very high	96	Very high	24 Å²	24	73.7 Å²	73.7	13%	0.128	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.2	175.1	-177.5	-30.2	0	0	0	108.9	D318 R319 N320	D316-D318 PolarHBondContact OD1-N 3.05Å; D316-R319 HydrophobicContact CB-CB 4.46Å; D316-R319 HydrophobicContact CB-CG 4.39Å; D316-R319 PolarHBondContact OD1-N 3.36Å; D316-R319 VanDerWaalsContact OD2-CD 3.26Å; D316-R319 WeakPolarHBondContact OD2-CD 3.39Å; D316-R319 WeakPolarHBondContact OD2-CG 3.48Å; D316-R319 IonicContact OD2-CZ 3.06Å; D316-R319 IonicContact OD2-NE 3.14Å; D316-R319 PolarHBondContact OD2-NE 3.02Å; D316-R319 IonicContact OD2-NH2 2.74Å; D316-N320 PolarHBondContact O-ND2 2.96Å
317	L	97.9	Very high	96.1	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-75.6	-35.3	-175.2	-64.2	-166.3	0	0	0	112.3	T315 R319 N320 L321 V369 L386 L387 L394 N395 V398	T315-L317 HydrophobicContact CG2-CD2 4.06Å; T315-L317 PolarHBondContact O-N 3.39Å; L317-R319 PolarHBondContact O-N 3.09Å; L317-N320 PolarHBondContact O-N 3.24Å; L317-L321 HydrophobicContact CB-CD1 4.23Å; L317-L321 HydrophobicContact CD1-CD1 4.44Å; L317-L321 HydrophobicContact CD2-CD1 4.07Å; L317-L321 HydrophobicContact CG-CD1 4.49Å; L317-L321 WeakPolarHBondContact O-CB 3.22Å; L317-L321 PolarHBondContact O-N 3.28Å; L317-V369 HydrophobicContact CD2-CG1 3.98Å; L317-L386 HydrophobicContact CD1-CB 4.48Å; L317-L386 HydrophobicContact CD2-CD2 4.41Å; L317-L387 WeakPolarHBondContact CB-O 3.14Å; L317-L387 PolarHBondContact N-O 3.47Å; L317-L394 HydrophobicContact CB-CB 4.1Å; L317-L394 HydrophobicContact CB-CD1 4.16Å; L317-L394 HydrophobicContact CD1-CB 3.89Å; L317-N395 HydrophobicContact CD1-CB 4.4Å; L317-N395 WeakPolarHBondContact CD1-OD1 3.4Å; L317-V398 HydrophobicContact CD1-CB 4.05Å; L317-V398 HydrophobicContact CD1-CG2 3.79Å; L317-V398 HydrophobicContact CD2-CG1 4.5Å; L317-V398 HydrophobicContact CD2-CG2 4.07Å
318	D	95.9	Very high	96.2	Very high	72 Å²	72	70.1 Å²	70.1	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-27.6	-179.7	-65.3	-57.4	0	0	0	112	D316 E388 E389	D316-D318 PolarHBondContact OD1-N 3.05Å; D318-E388 VanDerWaalsContact OD2-CA 3.32Å; D318-E388 WeakPolarHBondContact OD2-CA 3.32Å; D318-E389 PolarHBondContact OD2-N 2.58Å
319	R	95.2	Very high	96.3	Very high	208 Å²	208	65.8 Å²	65.8	79%	0.785	31%	0.31	S	S	*	.	H	α-helix	trans	-82.4	-25.7	174	-65.8	-177.4	-163.1	-156.5	-3.6	114.5	D316 L317	D316-R319 HydrophobicContact CB-CB 4.46Å; D316-R319 HydrophobicContact CB-CG 4.39Å; D316-R319 PolarHBondContact OD1-N 3.36Å; D316-R319 VanDerWaalsContact OD2-CD 3.26Å; D316-R319 WeakPolarHBondContact OD2-CD 3.39Å; D316-R319 WeakPolarHBondContact OD2-CG 3.48Å; D316-R319 IonicContact OD2-CZ 3.06Å; D316-R319 IonicContact OD2-NE 3.14Å; D316-R319 PolarHBondContact OD2-NE 3.02Å; D316-R319 IonicContact OD2-NH2 2.74Å; L317-R319 PolarHBondContact O-N 3.09Å
320	N	95.1	Very high	96.4	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-105.6	-15.6	-169.3	-73	-56	0	0	0	113.6	D316 L317 M365 V369	D316-N320 PolarHBondContact O-ND2 2.96Å; L317-N320 PolarHBondContact O-N 3.24Å; N320-M365 VanDerWaalsContact O-CE 3.3Å; N320-M365 WeakPolarHBondContact O-CE 3.26Å; N320-V369 HydrophobicContact CB-CG2 4.39Å
321	L	98.3	Very high	96.5	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	26%	0.264	C	S	.	.	S	Bend	trans	-127.2	154.1	-174.2	-66.7	173	0	0	0	111	L317 M365 F366 V369 L394 V398	L317-L321 HydrophobicContact CB-CD1 4.23Å; L317-L321 HydrophobicContact CD1-CD1 4.44Å; L317-L321 HydrophobicContact CD2-CD1 4.07Å; L317-L321 HydrophobicContact CG-CD1 4.49Å; L317-L321 WeakPolarHBondContact O-CB 3.22Å; L317-L321 PolarHBondContact O-N 3.28Å; L321-M365 HydrophobicContact CD2-CB 4.1Å; L321-F366 HydrophobicContact CB-CE2 4.42Å; L321-F366 HydrophobicContact CB-CZ 4.33Å; L321-F366 HydrophobicContact CD1-CD1 3.84Å; L321-F366 HydrophobicContact CD1-CE1 3.67Å; L321-F366 HydrophobicContact CD1-CG 4.41Å; L321-F366 HydrophobicContact CD1-CZ 4.06Å; L321-F366 HydrophobicContact CD2-CD1 4.28Å; L321-F366 HydrophobicContact CD2-CD2 3.88Å; L321-F366 HydrophobicContact CD2-CE2 4.12Å; L321-F366 HydrophobicContact CD2-CG 4.01Å; L321-F366 HydrophobicContact CD2-CZ 4.46Å; L321-V369 HydrophobicContact CD2-CB 4.33Å; L321-V369 HydrophobicContact CD2-CG2 3.8Å; L321-V369 HydrophobicContact CG-CG2 4.26Å; L321-L394 HydrophobicContact CB-CD1 4.3Å; L321-V398 HydrophobicContact CD1-CG2 3.74Å
322	P	97.8	Very high	96.6	Very high	6 Å²	6	48 Å²	48	4%	0.039	24%	0.243	C	C	.	.			trans	-63.8	146.4	175.4	29.7	-38.3	0	0	0	111	E326 I327 Y362 F366	P322-E326 VanDerWaalsContact CA-OE2 3.28Å; P322-E326 WeakPolarHBondContact CA-OE2 3.37Å; P322-E326 HydrophobicContact CB-CB 4Å; P322-I327 HydrophobicContact CB-CG1 4.09Å; P322-I327 HydrophobicContact CG-CD1 4.12Å; P322-I327 HydrophobicContact CG-CG1 3.75Å; P322-Y362 HydrophobicContact CB-CD1 3.98Å; P322-Y362 HydrophobicContact CB-CD2 4.3Å; P322-Y362 HydrophobicContact CB-CE1 3.69Å; P322-Y362 HydrophobicContact CB-CE2 4.04Å; P322-Y362 HydrophobicContact CB-CG 4.28Å; P322-Y362 HydrophobicContact CG-CD1 3.59Å; P322-Y362 HydrophobicContact CG-CD2 4.03Å; P322-Y362 HydrophobicContact CG-CE1 3.86Å; P322-Y362 HydrophobicContact CG-CE2 4.29Å; P322-Y362 HydrophobicContact CG-CG 3.68Å; P322-F366 HydrophobicContact CG-CE2 4.01Å
323	N	96.4	Very high	96.5	Very high	80 Å²	80	52.3 Å²	52.3	43%	0.428	26%	0.26	S	S	.	.			trans	-72.9	167	175.6	70.2	59.2	0	0	0	111.5	Q325 E326 I327	N323-Q325 PolarHBondContact O-N 3.03Å; N323-Q325 VanDerWaalsContact O-N 3.11Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.28Å; N323-Q325 PolarHBondContact OD1-N 3.48Å; N323-E326 PolarHBondContact N-OE2 3.34Å; N323-E326 PolarHBondContact ND2-OE2 2.6Å; N323-E326 PolarHBondContact O-N 3.07Å; N323-E326 VanDerWaalsContact O-N 3.15Å; N323-E326 PolarHBondContact OD1-N 3.29Å; N323-I327 WeakPolarHBondContact O-CG1 3.3Å; N323-I327 PolarHBondContact O-N 3.02Å; N323-I327 VanDerWaalsContact O-N 3.12Å
324	I	96.5	Very high	96.4	Very high	39 Å²	39	50 Å²	50	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-29.1	-173.9	68.1	174	0	0	0	114.2	Q328 D393 R434 S446 L448	I324-Q328 WeakPolarHBondContact O-CB 3.49Å; I324-Q328 PolarHBondContact O-N 3.08Å; I324-Q328 VanDerWaalsContact O-N 3.08Å; I324-D393 HydrophobicContact CG2-CB 4.23Å; I324-R434 VanDerWaalsContact CD1-NH2 3.28Å; I324-S446 PolarHBondContact O-OG 3.37Å; I324-L448 HydrophobicContact CG2-CD1 3.9Å
325	Q	96.6	Very high	96.2	Very high	74 Å²	74	46.7 Å²	46.7	35%	0.346	23%	0.23	S	C	.	.	H	α-helix	trans	-79	-37.5	-179.6	-67.9	-56	-64.8	0	0	111.6	N323 I327 Q328 G329 N443	N323-Q325 PolarHBondContact O-N 3.03Å; N323-Q325 VanDerWaalsContact O-N 3.11Å; N323-Q325 WeakPolarHBondContact OD1-CB 3.28Å; N323-Q325 PolarHBondContact OD1-N 3.48Å; Q325-I327 VanDerWaalsContact C-N 3.32Å; Q325-Q328 PolarHBondContact O-N 3.5Å; Q325-G329 PolarHBondContact O-N 3.12Å; Q325-N443 PolarHBondContact NE2-O 3.45Å
326	E	97.8	Very high	95.8	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-44.6	172.1	-69.3	176.2	131.3	0	0	110.8	P322 N323 Q328 G329 A330 Y362	P322-E326 VanDerWaalsContact CA-OE2 3.28Å; P322-E326 WeakPolarHBondContact CA-OE2 3.37Å; P322-E326 HydrophobicContact CB-CB 4Å; N323-E326 PolarHBondContact N-OE2 3.34Å; N323-E326 PolarHBondContact ND2-OE2 2.6Å; N323-E326 PolarHBondContact O-N 3.07Å; N323-E326 VanDerWaalsContact O-N 3.15Å; N323-E326 PolarHBondContact OD1-N 3.29Å; E326-Q328 PolarHBondContact O-N 3.43Å; E326-G329 PolarHBondContact O-N 2.91Å; E326-A330 WeakPolarHBondContact O-CB 3.37Å; E326-A330 PolarHBondContact O-N 3.47Å; E326-Y362 HydrophobicContact CB-CE2 4.2Å
327	I	98.4	Very high	95.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-44.2	176.8	-59.3	168.5	0	0	0	110.8	P322 N323 Q325 A330 F331 W359 Y362 F366 L394 P447 L448 L451	P322-I327 HydrophobicContact CB-CG1 4.09Å; P322-I327 HydrophobicContact CG-CD1 4.12Å; P322-I327 HydrophobicContact CG-CG1 3.75Å; N323-I327 WeakPolarHBondContact O-CG1 3.3Å; N323-I327 PolarHBondContact O-N 3.02Å; N323-I327 VanDerWaalsContact O-N 3.12Å; Q325-I327 VanDerWaalsContact C-N 3.32Å; I327-A330 PolarHBondContact O-N 3.18Å; I327-F331 PolarHBondContact O-N 3.2Å; I327-W359 HydrophobicContact CG2-CZ3 4.05Å; I327-Y362 HydrophobicContact CG1-CD2 4.32Å; I327-F366 HydrophobicContact CD1-CE2 4.01Å; I327-F366 HydrophobicContact CD1-CZ 3.93Å; I327-L394 HydrophobicContact CD1-CD2 4.3Å; I327-P447 HydrophobicContact CG2-CG 4.14Å; I327-L448 HydrophobicContact CD1-CD2 3.6Å; I327-L448 HydrophobicContact CD1-CG 4.45Å; I327-L451 HydrophobicContact CD1-CD2 4.24Å; I327-L451 HydrophobicContact CG2-CD2 4.15Å
328	Q	97.5	Very high	94.6	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.8	177.4	60.9	8.5	0	0	111.9	I324 Q325 E326 A330 F331 V332 E445 P447	I324-Q328 WeakPolarHBondContact O-CB 3.49Å; I324-Q328 PolarHBondContact O-N 3.08Å; I324-Q328 VanDerWaalsContact O-N 3.08Å; Q325-Q328 PolarHBondContact O-N 3.5Å; E326-Q328 PolarHBondContact O-N 3.43Å; Q328-A330 VanDerWaalsContact C-N 3.33Å; Q328-A330 PolarHBondContact O-N 3.33Å; Q328-F331 PolarHBondContact O-N 2.87Å; Q328-V332 WeakPolarHBondContact O-CG2 3.24Å; Q328-V332 PolarHBondContact O-N 3.06Å; Q328-E445 WeakPolarHBondContact CB-O 3.36Å; Q328-E445 WeakPolarHBondContact CG-O 3.42Å; Q328-P447 VanDerWaalsContact OE1-CD 3.28Å
329	G	97.5	Very high	93.6	Very high	32 Å²	32	49.4 Å²	49.4	33%	0.33	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-40.8	177.1	0	0	0	0	0	112.8	Q325 E326 K333	Q325-G329 PolarHBondContact O-N 3.12Å; E326-G329 PolarHBondContact O-N 2.91Å; G329-K333 WeakPolarHBondContact O-CG 3.37Å; G329-K333 PolarHBondContact O-N 3.45Å
330	A	98.3	Very high	92	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-45.5	176.6	0	0	0	0	0	112.2	E326 I327 Q328 K333 A334 S357 W359 Y362	E326-A330 WeakPolarHBondContact O-CB 3.37Å; E326-A330 PolarHBondContact O-N 3.47Å; I327-A330 PolarHBondContact O-N 3.18Å; Q328-A330 VanDerWaalsContact C-N 3.33Å; Q328-A330 PolarHBondContact O-N 3.33Å; A330-K333 PolarHBondContact O-N 3.06Å; A330-A334 WeakPolarHBondContact O-CB 3.45Å; A330-A334 PolarHBondContact O-N 2.95Å; A330-S357 WeakPolarHBondContact CA-O 3.46Å; A330-S357 WeakPolarHBondContact CB-O 3.26Å; A330-W359 HydrophobicContact CB-CE3 4.46Å; A330-Y362 HydrophobicContact CB-CD2 3.7Å; A330-Y362 HydrophobicContact CB-CE2 3.61Å
331	F	97	Very high	90.3	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-43.2	178.1	-177.1	-107.9	0	0	0	112.9	I327 Q328 K333 A334 R335 W359 P447 T450 F642 F643	I327-F331 PolarHBondContact O-N 3.2Å; Q328-F331 PolarHBondContact O-N 2.87Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 3.14Å; F331-A334 PolarHBondContact O-N 3.22Å; F331-R335 VanDerWaalsContact O-CB 3.3Å; F331-R335 WeakPolarHBondContact O-CB 3.34Å; F331-R335 PolarHBondContact O-N 2.84Å; F331-W359 HydrophobicContact CB-CE3 3.84Å; F331-W359 HydrophobicContact CB-CH2 4.4Å; F331-W359 HydrophobicContact CB-CZ3 3.64Å; F331-W359 HydrophobicContact CD2-CD2 4.41Å; F331-W359 HydrophobicContact CD2-CE3 4.1Å; F331-W359 AromaticContact CD2-CH2 3.71Å; F331-W359 HydrophobicContact CD2-CH2 3.71Å; F331-W359 HydrophobicContact CD2-CZ2 4.05Å; F331-W359 AromaticContact CD2-CZ3 3.77Å; F331-W359 HydrophobicContact CD2-CZ3 3.77Å; F331-W359 HydrophobicContact CE2-CH2 4.47Å; F331-W359 HydrophobicContact CG-CE3 4.49Å; F331-W359 HydrophobicContact CG-CH2 4.42Å; F331-W359 HydrophobicContact CG-CZ3 4.12Å; F331-P447 HydrophobicContact CB-CB 4.17Å; F331-P447 HydrophobicContact CB-CG 3.3Å; F331-P447 HydrophobicContact CD1-CB 3.79Å; F331-P447 HydrophobicContact CD1-CG 3.77Å; F331-P447 HydrophobicContact CD2-CB 4.09Å; F331-P447 HydrophobicContact CD2-CG 4.09Å; F331-P447 HydrophobicContact CE1-CB 4.18Å; F331-P447 HydrophobicContact CE2-CB 4.45Å; F331-P447 HydrophobicContact CG-CB 3.75Å; F331-P447 HydrophobicContact CG-CG 3.45Å; F331-P447 VanDerWaalsContact CG-CG 3.45Å; F331-P447 HydrophobicContact CZ-CB 4.5Å; F331-T450 HydrophobicContact CE2-CG2 3.99Å; F331-T450 HydrophobicContact CZ-CG2 4.48Å; F331-F642 HydrophobicContact CE2-CE1 4.04Å; F331-F642 HydrophobicContact CZ-CE1 4.29Å; F331-F643 HydrophobicContact CD2-CE1 4.31Å; F331-F643 HydrophobicContact CD2-CZ 4.3Å; F331-F643 AromaticContact CE2-CE1 3.98Å; F331-F643 HydrophobicContact CE2-CE1 3.98Å; F331-F643 HydrophobicContact CE2-CZ 4.08Å
332	V	94.4	Very high	88.1	Confident	51 Å²	51	46.1 Å²	46.1	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-42.9	178	169.2	0	0	0	0	110.7	Q328 Q336	Q328-V332 WeakPolarHBondContact O-CG2 3.24Å; Q328-V332 PolarHBondContact O-N 3.06Å; V332-Q336 WeakPolarHBondContact O-CB 3.43Å; V332-Q336 PolarHBondContact O-N 3.43Å
333	K	94.2	Very high	86	Confident	114 Å²	114	48.2 Å²	48.2	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-48.7	174.3	-71.4	172	-177.3	176.8	0	111.7	G329 A330 F331 R335 Q336 I337	G329-K333 WeakPolarHBondContact O-CG 3.37Å; G329-K333 PolarHBondContact O-N 3.45Å; A330-K333 PolarHBondContact O-N 3.06Å; F331-K333 VanDerWaalsContact C-N 3.3Å; F331-K333 PolarHBondContact O-N 3.14Å; K333-R335 PolarHBondContact O-N 2.68Å; K333-Q336 PolarHBondContact O-N 2.79Å; K333-I337 WeakPolarHBondContact O-CD1 3.14Å; K333-I337 VanDerWaalsContact O-CG1 3.27Å; K333-I337 WeakPolarHBondContact O-CG1 3.46Å; K333-I337 PolarHBondContact O-N 2.83Å
334	A	92.8	Very high	83.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.3	-48	178.1	0	0	0	0	0	112.1	A330 F331 Q336 I337 C338 M354 W359 F643	A330-A334 WeakPolarHBondContact O-CB 3.45Å; A330-A334 PolarHBondContact O-N 2.95Å; F331-A334 PolarHBondContact O-N 3.22Å; A334-Q336 PolarHBondContact O-N 3.12Å; A334-I337 PolarHBondContact O-N 2.72Å; A334-C338 PolarHBondContact O-N 3.15Å; A334-C338 PolarHBondContact O-SG 2.94Å; A334-M354 HydrophobicContact CB-CE 3.44Å; A334-M354 VanDerWaalsContact CB-CE 3.44Å; A334-W359 HydrophobicContact CB-CB 3.92Å; A334-W359 HydrophobicContact CB-CG 4.21Å; A334-F643 HydrophobicContact CB-CE1 4.09Å
335	R	90.1	Very high	81.6	Confident	32 Å²	32	58.1 Å²	58.1	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175	169.7	170.9	76.1	160.4	10.8	111.7	D105 L140 F331 K333 I337 C338 T339	D105-R335 IonicContact OD2-CZ 3.19Å; D105-R335 IonicContact OD2-NH1 2.75Å; D105-R335 PolarHBondContact OD2-NH1 2.63Å; D105-R335 IonicContact OD2-NH2 2.72Å; D105-R335 PolarHBondContact OD2-NH2 2.97Å; L140-R335 HydrophobicContact CD2-CB 3.76Å; L140-R335 HydrophobicContact CD2-CG 3.37Å; F331-R335 VanDerWaalsContact O-CB 3.3Å; F331-R335 WeakPolarHBondContact O-CB 3.34Å; F331-R335 PolarHBondContact O-N 2.84Å; K333-R335 PolarHBondContact O-N 2.68Å; R335-I337 PolarHBondContact O-N 3Å; R335-C338 PolarHBondContact O-N 2.88Å; R335-T339 HydrophobicContact CG-CG2 4.33Å; R335-T339 WeakPolarHBondContact O-CB 3.46Å; R335-T339 VanDerWaalsContact O-CG2 3.32Å; R335-T339 WeakPolarHBondContact O-CG2 3.19Å; R335-T339 PolarHBondContact O-N 3.48Å; R335-T339 PolarHBondContact O-OG1 3.19Å
336	Q	87.3	Confident	79.9	Confident	108 Å²	108	56.2 Å²	56.2	51%	0.505	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-49.4	178.5	-174.1	176.9	1.3	0	0	110.3	V332 K333 A334 C338 T339 L340	V332-Q336 WeakPolarHBondContact O-CB 3.43Å; V332-Q336 PolarHBondContact O-N 3.43Å; K333-Q336 PolarHBondContact O-N 2.79Å; A334-Q336 PolarHBondContact O-N 3.12Å; Q336-C338 PolarHBondContact O-N 3.41Å; Q336-T339 PolarHBondContact O-N 3.27Å; Q336-T339 PolarHBondContact O-OG1 3.19Å; Q336-L340 HydrophobicContact CG-CD1 4.14Å; Q336-L340 HydrophobicContact CG-CD2 4.38Å; Q336-L340 HydrophobicContact CG-CG 4.11Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 3.37Å
337	I	86.2	Confident	78.3	Confident	23 Å²	23	54 Å²	54	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-38.8	177.6	-65.8	157.3	0	0	0	112	K333 A334 R335 T339 W350 S353 M354	K333-I337 WeakPolarHBondContact O-CD1 3.14Å; K333-I337 VanDerWaalsContact O-CG1 3.27Å; K333-I337 WeakPolarHBondContact O-CG1 3.46Å; K333-I337 PolarHBondContact O-N 2.83Å; A334-I337 PolarHBondContact O-N 2.72Å; R335-I337 PolarHBondContact O-N 3Å; I337-T339 VanDerWaalsContact C-N 3.34Å; I337-W350 HydrophobicContact CG2-CG 4.4Å; I337-S353 VanDerWaalsContact CD1-C 3.44Å; I337-S353 WeakPolarHBondContact CD1-O 3.37Å; I337-M354 HydrophobicContact CD1-CE 4.45Å; I337-M354 HydrophobicContact CG2-SD 4.38Å
338	C	82.6	Confident	76.9	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-83.2	-6.3	-178.3	-61.1	0	0	0	0	114.5	A334 R335 Q336 F643 L644	A334-C338 PolarHBondContact O-N 3.15Å; A334-C338 PolarHBondContact O-SG 2.94Å; R335-C338 PolarHBondContact O-N 2.88Å; Q336-C338 PolarHBondContact O-N 3.41Å; C338-F643 HydrophobicContact CB-CB 4.33Å; C338-F643 HydrophobicContact CB-CD1 4.49Å; C338-F643 WeakPolarHBondContact CB-O 3.29Å; C338-L644 HydrophobicContact CB-CD2 3.89Å
339	T	75.2	Confident	76.1	Confident	41 Å²	41	69.8 Å²	69.8	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-120.9	-2.1	-177	54.6	0	0	0	0	113.8	L140 V142 R335 Q336 I337	L140-T339 HydrophobicContact CB-CG2 4.35Å; L140-T339 WeakPolarHBondContact O-CG2 3.17Å; V142-T339 HydrophobicContact CG2-CG2 4.26Å; R335-T339 HydrophobicContact CG-CG2 4.33Å; R335-T339 WeakPolarHBondContact O-CB 3.46Å; R335-T339 VanDerWaalsContact O-CG2 3.32Å; R335-T339 WeakPolarHBondContact O-CG2 3.19Å; R335-T339 PolarHBondContact O-N 3.48Å; R335-T339 PolarHBondContact O-OG1 3.19Å; Q336-T339 PolarHBondContact O-N 3.27Å; Q336-T339 PolarHBondContact O-OG1 3.19Å; I337-T339 VanDerWaalsContact C-N 3.34Å
340	L	61.4	Low	75.3	Confident	84 Å²	84	70.3 Å²	70.3	44%	0.44	34%	0.337	S	S	.	.			trans	-70	142.3	-178.6	-82.8	166.4	0	0	0	112.7	Q336	Q336-L340 HydrophobicContact CG-CD1 4.14Å; Q336-L340 HydrophobicContact CG-CD2 4.38Å; Q336-L340 HydrophobicContact CG-CG 4.11Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 3.37Å
341	D	59.1	Low	74.6	Confident	77 Å²	77	75.6 Å²	75.6	41%	0.412	36%	0.364	S	S	.	.	S	Bend	trans	-136.3	125	178.5	178	34.4	0	0	0	107.2	R144	R144-D341 IonicContact CZ-OD2 3.73Å; R144-D341 IonicContact NH2-OD2 2.95Å; R144-D341 PolarHBondContact NH2-OD2 3.34Å
342	P	53.6	Low	74.2	Confident	70 Å²	70	77.3 Å²	77.3	46%	0.455	38%	0.378	S	S	.	.			cis	-83.3	130.9	6.4	-5.4	24	0	0	0	113.5	E344	P342-E344 PolarHBondContact O-N 2.67Å
343	F	52.5	Low	73.9	Confident	50 Å²	50	77 Å²	77	22%	0.219	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-62.9	-29.8	177.2	-170.3	-95	0	0	0	112.4	E345 S346 E347 W350 T741 P742	F343-E345 PolarHBondContact O-N 2.91Å; F343-S346 PolarHBondContact O-N 3.19Å; F343-S346 VanDerWaalsContact O-N 3.07Å; F343-S346 PolarHBondContact O-OG 2.88Å; F343-E347 HydrophobicContact CE1-CG 4.46Å; F343-E347 PolarHBondContact O-N 3.04Å; F343-W350 AromaticContact CE2-CD1 3.84Å; F343-W350 AromaticContact CE2-NE1 3.93Å; F343-T741 HydrophobicContact CE1-CG2 4.37Å; F343-P742 HydrophobicContact CD1-CG 4.32Å
344	E	50.8	Low	73.7	Confident	154 Å²	154	72 Å²	72	72%	0.72	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-60.4	-37.4	-175.6	-62.1	-171.2	168.5	0	0	113.8	P342 S346	P342-E344 PolarHBondContact O-N 2.67Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.97Å
345	E	50.7	Low	73.5	Confident	174 Å²	174	79.3 Å²	79.3	81%	0.813	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-77.1	-13.5	178.8	-65	-177.1	173.6	0	0	112.8	F343	F343-E345 PolarHBondContact O-N 2.91Å
346	S	60	Low	73.7	Confident	33 Å²	33	83.1 Å²	83.1	23%	0.231	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-8.7	-171.6	71.6	0	0	0	0	114.6	F343 E344 E348 R349 W350	F343-S346 PolarHBondContact O-N 3.19Å; F343-S346 VanDerWaalsContact O-N 3.07Å; F343-S346 PolarHBondContact O-OG 2.88Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.97Å; S346-E348 PolarHBondContact O-N 3.28Å; S346-R349 PolarHBondContact O-N 3.32Å; S346-W350 PolarHBondContact O-N 2.98Å
347	E	64	Low	74.2	Confident	38 Å²	38	78.1 Å²	78.1	18%	0.178	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.7	-171.6	-169.5	-170.8	174.6	0	0	113.6	F343 R349 W350 P742 S744 K745	F343-E347 HydrophobicContact CE1-CG 4.46Å; F343-E347 PolarHBondContact O-N 3.04Å; E347-R349 PolarHBondContact O-N 3.34Å; E347-W350 PolarHBondContact O-N 3.37Å; E347-P742 WeakPolarHBondContact OE2-CB 3.36Å; E347-P742 WeakPolarHBondContact OE2-CG 3.5Å; E347-S744 PolarHBondContact OE1-OG 3.28Å; E347-K745 PolarHBondContact O-NZ 3.29Å
348	E	69.3	Low	74.7	Confident	174 Å²	174	83.4 Å²	83.4	81%	0.813	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.7	-179.8	-69	-172.4	171.5	0	0	111.7	S346	S346-E348 PolarHBondContact O-N 3.28Å
349	R	80.9	Confident	75.4	Confident	185 Å²	185	83.1 Å²	83.1	70%	0.698	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.5	-177.3	-61.6	-179.8	-174.7	171.6	2.1	113.2	S346 E347 L351 S352 S353	S346-R349 PolarHBondContact O-N 3.32Å; E347-R349 PolarHBondContact O-N 3.34Å; R349-L351 VanDerWaalsContact C-N 3.34Å; R349-L351 PolarHBondContact O-N 3.19Å; R349-S352 CarbonylContact O-C 3.58Å; R349-S352 WeakPolarHBondContact O-CA 3.49Å; R349-S352 PolarHBondContact O-N 3.26Å; R349-S352 PolarHBondContact O-OG 3.06Å; R349-S353 PolarHBondContact O-N 2.95Å; R349-S353 PolarHBondContact O-OG 3.47Å
350	W	81.9	Confident	76.5	Confident	44 Å²	44	83.1 Å²	83.1	17%	0.167	41%	0.406	C	S	.	.	H	α-helix	trans	-50.3	-48.8	-171.3	-174.2	90.3	0	0	0	113.6	I337 F343 S346 E347 S352 S353 M354 L638	I337-W350 HydrophobicContact CG2-CG 4.4Å; F343-W350 AromaticContact CE2-CD1 3.84Å; F343-W350 AromaticContact CE2-NE1 3.93Å; S346-W350 PolarHBondContact O-N 2.98Å; E347-W350 PolarHBondContact O-N 3.37Å; W350-S352 PolarHBondContact O-N 2.92Å; W350-S353 PolarHBondContact O-N 3.25Å; W350-M354 HydrophobicContact CH2-CG 4.26Å; W350-M354 HydrophobicContact CZ2-CG 4.44Å; W350-M354 HydrophobicContact CZ2-SD 4.4Å; W350-M354 VanDerWaalsContact O-CB 3.28Å; W350-M354 WeakPolarHBondContact O-CB 3.36Å; W350-M354 PolarHBondContact O-N 2.94Å; W350-L638 HydrophobicContact CH2-CD2 3.62Å; W350-L638 HydrophobicContact CZ2-CD2 3.65Å
351	L	82.4	Confident	78.2	Confident	115 Å²	115	83 Å²	83	60%	0.602	40%	0.403	S	S	*	.	H	α-helix	trans	-61	-47	178.3	-69.5	170.9	0	0	0	111.8	R349 S353 M354 E355	R349-L351 VanDerWaalsContact C-N 3.34Å; R349-L351 PolarHBondContact O-N 3.19Å; L351-S353 PolarHBondContact O-N 2.95Å; L351-M354 PolarHBondContact O-N 2.8Å; L351-E355 WeakPolarHBondContact O-CB 3.45Å; L351-E355 PolarHBondContact O-N 3.44Å
352	S	88.1	Confident	80.1	Confident	52 Å²	52	80.1 Å²	80.1	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-37.9	177.6	69.2	0	0	0	0	112.4	R349 W350 E355 N356	R349-S352 CarbonylContact O-C 3.58Å; R349-S352 WeakPolarHBondContact O-CA 3.49Å; R349-S352 PolarHBondContact O-N 3.26Å; R349-S352 PolarHBondContact O-OG 3.06Å; W350-S352 PolarHBondContact O-N 2.92Å; S352-E355 PolarHBondContact O-N 3.13Å; S352-N356 VanDerWaalsContact O-CB 3.26Å; S352-N356 WeakPolarHBondContact O-CB 3.3Å; S352-N356 PolarHBondContact O-N 3.41Å; S352-N356 PolarHBondContact O-ND2 3.47Å
353	S	89.8	Confident	82.2	Confident	45 Å²	45	76.8 Å²	76.8	32%	0.315	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-41.4	174.9	-63.1	0	0	0	0	111.1	I337 R349 W350 L351 N356 S357	I337-S353 VanDerWaalsContact CD1-C 3.44Å; I337-S353 WeakPolarHBondContact CD1-O 3.37Å; R349-S353 PolarHBondContact O-N 2.95Å; R349-S353 PolarHBondContact O-OG 3.47Å; W350-S353 PolarHBondContact O-N 3.25Å; L351-S353 PolarHBondContact O-N 2.95Å; S353-N356 PolarHBondContact O-N 3.22Å; S353-S357 PolarHBondContact O-N 2.95Å
354	M	88.3	Confident	84.4	Confident	8 Å²	8	77.7 Å²	77.7	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-65.9	-41.6	178.5	-163.4	64.6	-94.2	0	0	111	A334 I337 W350 L351 S357 W359 L638	A334-M354 HydrophobicContact CB-CE 3.44Å; A334-M354 VanDerWaalsContact CB-CE 3.44Å; I337-M354 HydrophobicContact CD1-CE 4.45Å; I337-M354 HydrophobicContact CG2-SD 4.38Å; W350-M354 HydrophobicContact CH2-CG 4.26Å; W350-M354 HydrophobicContact CZ2-CG 4.44Å; W350-M354 HydrophobicContact CZ2-SD 4.4Å; W350-M354 VanDerWaalsContact O-CB 3.28Å; W350-M354 WeakPolarHBondContact O-CB 3.36Å; W350-M354 PolarHBondContact O-N 2.94Å; L351-M354 PolarHBondContact O-N 2.8Å; M354-S357 WeakPolarHBondContact CE-OG 3.2Å; M354-S357 VanDerWaalsContact O-CB 3.31Å; M354-S357 WeakPolarHBondContact O-CB 3.46Å; M354-S357 PolarHBondContact O-N 2.88Å; M354-S357 PolarHBondContact O-OG 3.19Å; M354-W359 HydrophobicContact CE-CB 4.37Å; M354-L638 HydrophobicContact SD-CD1 4.23Å
355	E	90.1	Very high	86.7	Confident	153 Å²	153	72.7 Å²	72.7	72%	0.715	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-46.8	171.6	-174.1	171.3	-161.1	0	0	111.6	L351 S352 S357 R358	L351-E355 WeakPolarHBondContact O-CB 3.45Å; L351-E355 PolarHBondContact O-N 3.44Å; S352-E355 PolarHBondContact O-N 3.13Å; E355-S357 PolarHBondContact O-N 3.3Å; E355-S357 VanDerWaalsContact O-N 3.11Å; E355-R358 PolarHBondContact O-N 2.79Å
356	N	94.3	Very high	89	Confident	113 Å²	113	64.4 Å²	64.4	60%	0.604	31%	0.305	S	S	*	.	H	α-helix	trans	-63.9	-15.8	176.8	-74.7	-33.6	0	0	0	114.3	S352 S353 R358	S352-N356 VanDerWaalsContact O-CB 3.26Å; S352-N356 WeakPolarHBondContact O-CB 3.3Å; S352-N356 PolarHBondContact O-N 3.41Å; S352-N356 PolarHBondContact O-ND2 3.47Å; S353-N356 PolarHBondContact O-N 3.22Å; N356-R358 VanDerWaalsContact C-N 3.26Å
357	S	96.3	Very high	90.8	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26	171.4	81.1	0	0	0	0	112.5	A330 S353 M354 E355 W359	A330-S357 WeakPolarHBondContact CA-O 3.46Å; A330-S357 WeakPolarHBondContact CB-O 3.26Å; S353-S357 PolarHBondContact O-N 2.95Å; M354-S357 WeakPolarHBondContact CE-OG 3.2Å; M354-S357 VanDerWaalsContact O-CB 3.31Å; M354-S357 WeakPolarHBondContact O-CB 3.46Å; M354-S357 PolarHBondContact O-N 2.88Å; M354-S357 PolarHBondContact O-OG 3.19Å; E355-S357 PolarHBondContact O-N 3.3Å; E355-S357 VanDerWaalsContact O-N 3.11Å; S357-W359 PolarHBondContact O-N 3.12Å; S357-W359 PolarHBondContact OG-N 3.18Å; S357-W359 VanDerWaalsContact OG-N 3.14Å
358	R	97.7	Very high	92.4	Very high	134 Å²	134	65.7 Å²	65.7	51%	0.506	31%	0.306	S	S	.	.			trans	62.2	6.3	-171.2	-53.7	-173.5	176.9	172.3	-5.3	116.1	E355 N356 L360 E361 Y362	E355-R358 PolarHBondContact O-N 2.79Å; N356-R358 VanDerWaalsContact C-N 3.26Å; R358-L360 PolarHBondContact O-N 3.14Å; R358-E361 HydrophobicContact CB-CB 4.34Å; R358-E361 WeakPolarHBondContact CG-OE2 3.38Å; R358-E361 WeakPolarHBondContact O-CB 3.2Å; R358-E361 PolarHBondContact O-N 2.88Å; R358-Y362 HydrophobicContact CB-CE1 4.3Å; R358-Y362 HydrophobicContact CB-CE2 4.23Å; R358-Y362 PolarHBondContact O-N 3.38Å
359	W	98.1	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-53	-179.9	178.6	-103.7	0	0	0	112.5	I327 A330 F331 A334 M354 S357 E361 Y362 V363 P447 T450 L451 D454 F643	I327-W359 HydrophobicContact CG2-CZ3 4.05Å; A330-W359 HydrophobicContact CB-CE3 4.46Å; F331-W359 HydrophobicContact CB-CE3 3.84Å; F331-W359 HydrophobicContact CB-CH2 4.4Å; F331-W359 HydrophobicContact CB-CZ3 3.64Å; F331-W359 HydrophobicContact CD2-CD2 4.41Å; F331-W359 HydrophobicContact CD2-CE3 4.1Å; F331-W359 AromaticContact CD2-CH2 3.71Å; F331-W359 HydrophobicContact CD2-CH2 3.71Å; F331-W359 HydrophobicContact CD2-CZ2 4.05Å; F331-W359 AromaticContact CD2-CZ3 3.77Å; F331-W359 HydrophobicContact CD2-CZ3 3.77Å; F331-W359 HydrophobicContact CE2-CH2 4.47Å; F331-W359 HydrophobicContact CG-CE3 4.49Å; F331-W359 HydrophobicContact CG-CH2 4.42Å; F331-W359 HydrophobicContact CG-CZ3 4.12Å; A334-W359 HydrophobicContact CB-CB 3.92Å; A334-W359 HydrophobicContact CB-CG 4.21Å; M354-W359 HydrophobicContact CE-CB 4.37Å; S357-W359 PolarHBondContact O-N 3.12Å; S357-W359 PolarHBondContact OG-N 3.18Å; S357-W359 VanDerWaalsContact OG-N 3.14Å; W359-E361 VanDerWaalsContact C-N 3.26Å; W359-E361 PolarHBondContact O-N 3.47Å; W359-Y362 PolarHBondContact O-N 3.12Å; W359-Y362 VanDerWaalsContact O-N 3.17Å; W359-V363 WeakPolarHBondContact O-CG2 3.33Å; W359-V363 PolarHBondContact O-N 2.76Å; W359-P447 HydrophobicContact CH2-CB 4.47Å; W359-P447 HydrophobicContact CH2-CG 4.26Å; W359-P447 HydrophobicContact CZ3-CG 3.99Å; W359-T450 HydrophobicContact CZ2-CG2 4.5Å; W359-L451 HydrophobicContact CD2-CD1 4.45Å; W359-L451 HydrophobicContact CE3-CD1 4.22Å; W359-L451 HydrophobicContact CH2-CB 3.66Å; W359-L451 HydrophobicContact CH2-CD1 3.62Å; W359-L451 HydrophobicContact CH2-CG 4.27Å; W359-L451 HydrophobicContact CZ2-CB 4.23Å; W359-L451 HydrophobicContact CZ2-CD1 3.85Å; W359-L451 HydrophobicContact CZ3-CB 4.33Å; W359-L451 HydrophobicContact CZ3-CD1 3.79Å; W359-D454 HydrophobicContact CZ2-CB 4.41Å; W359-D454 PolarHBondContact NE1-OD2 3.18Å; W359-F643 AromaticContact CD1-CZ 3.8Å; W359-F643 HydrophobicContact CD2-CZ 4.4Å; W359-F643 AromaticContact CE2-CZ 3.77Å; W359-F643 HydrophobicContact CG-CZ 4.4Å; W359-F643 HydrophobicContact CZ2-CZ 4.26Å; W359-F643 AromaticContact NE1-CE2 3.52Å; W359-F643 AromaticContact NE1-CZ 3.39Å
360	L	97.1	Very high	94.7	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-27.4	178.8	-60.7	-179.8	0	0	0	112.5	R358 R364 V636 L638	R358-L360 PolarHBondContact O-N 3.14Å; L360-R364 VanDerWaalsContact O-CB 3.29Å; L360-R364 WeakPolarHBondContact O-CB 3.46Å; L360-R364 PolarHBondContact O-N 3.01Å; L360-V636 HydrophobicContact CB-CG1 4.27Å; L360-V636 HydrophobicContact CD2-CG1 4.24Å; L360-L638 HydrophobicContact CD2-CD1 4.5Å
361	E	97.6	Very high	95.4	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-63.7	-44.8	172	-177.7	-176.3	-174.1	0	0	110.7	R358 W359 R364 M365	R358-E361 HydrophobicContact CB-CB 4.34Å; R358-E361 WeakPolarHBondContact CG-OE2 3.38Å; R358-E361 WeakPolarHBondContact O-CB 3.2Å; R358-E361 PolarHBondContact O-N 2.88Å; W359-E361 VanDerWaalsContact C-N 3.26Å; W359-E361 PolarHBondContact O-N 3.47Å; E361-R364 WeakPolarHBondContact O-CB 3.29Å; E361-R364 PolarHBondContact O-N 3.11Å; E361-M365 WeakPolarHBondContact O-CG 3.22Å; E361-M365 PolarHBondContact O-N 3.3Å
362	Y	98.6	Very high	96.2	Very high	17 Å²	17	45.2 Å²	45.2	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-43.5	177.4	-63.3	-20.7	0	0	0	112.1	P322 E326 I327 A330 R358 W359 R364 M365 F366	P322-Y362 HydrophobicContact CB-CD1 3.98Å; P322-Y362 HydrophobicContact CB-CD2 4.3Å; P322-Y362 HydrophobicContact CB-CE1 3.69Å; P322-Y362 HydrophobicContact CB-CE2 4.04Å; P322-Y362 HydrophobicContact CB-CG 4.28Å; P322-Y362 HydrophobicContact CG-CD1 3.59Å; P322-Y362 HydrophobicContact CG-CD2 4.03Å; P322-Y362 HydrophobicContact CG-CE1 3.86Å; P322-Y362 HydrophobicContact CG-CE2 4.29Å; P322-Y362 HydrophobicContact CG-CG 3.68Å; E326-Y362 HydrophobicContact CB-CE2 4.2Å; I327-Y362 HydrophobicContact CG1-CD2 4.32Å; A330-Y362 HydrophobicContact CB-CD2 3.7Å; A330-Y362 HydrophobicContact CB-CE2 3.61Å; R358-Y362 HydrophobicContact CB-CE1 4.3Å; R358-Y362 HydrophobicContact CB-CE2 4.23Å; R358-Y362 PolarHBondContact O-N 3.38Å; W359-Y362 PolarHBondContact O-N 3.12Å; W359-Y362 VanDerWaalsContact O-N 3.17Å; Y362-R364 PolarHBondContact O-N 2.78Å; Y362-M365 HydrophobicContact CD1-SD 3.93Å; Y362-M365 HydrophobicContact CE1-SD 4.34Å; Y362-M365 PolarHBondContact O-N 3.13Å; Y362-F366 WeakPolarHBondContact O-CD2 3.39Å; Y362-F366 PolarHBondContact O-N 3Å
363	V	98.7	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-51.1	-47.3	170.9	171.1	0	0	0	0	110.7	W359 M365 F366 L367 L451 D454 Q458 V636	W359-V363 WeakPolarHBondContact O-CG2 3.33Å; W359-V363 PolarHBondContact O-N 2.76Å; V363-M365 PolarHBondContact O-N 3.39Å; V363-F366 PolarHBondContact O-N 2.82Å; V363-L367 HydrophobicContact CG1-CD1 4.05Å; V363-L367 WeakPolarHBondContact O-CG 3.33Å; V363-L367 PolarHBondContact O-N 3.42Å; V363-L451 HydrophobicContact CB-CD1 4.48Å; V363-L451 HydrophobicContact CG2-CD1 3.56Å; V363-D454 HydrophobicContact CG2-CB 4.14Å; V363-Q458 HydrophobicContact CG1-CG 3.69Å; V363-V636 HydrophobicContact CB-CG1 4.44Å; V363-V636 HydrophobicContact CG1-CG1 3.99Å
364	R	98.1	Very high	97.1	Very high	68 Å²	68	40.6 Å²	40.6	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-62.8	-41.7	177.6	-173.6	-174.6	69.2	86.9	-0.5	112.8	L360 E361 Y362 L367 K368 V631 V636	L360-R364 VanDerWaalsContact O-CB 3.29Å; L360-R364 WeakPolarHBondContact O-CB 3.46Å; L360-R364 PolarHBondContact O-N 3.01Å; E361-R364 WeakPolarHBondContact O-CB 3.29Å; E361-R364 PolarHBondContact O-N 3.11Å; Y362-R364 PolarHBondContact O-N 2.78Å; R364-L367 PolarHBondContact O-N 2.9Å; R364-K368 VanDerWaalsContact O-CB 3.31Å; R364-K368 WeakPolarHBondContact O-CB 3.14Å; R364-K368 PolarHBondContact O-N 3.41Å; R364-V631 WeakPolarHBondContact CD-O 3.42Å; R364-V631 HydrophobicContact CG-CB 4.08Å; R364-V631 WeakPolarHBondContact CG-O 3.39Å; R364-V636 HydrophobicContact CB-CG2 4.17Å; R364-V636 HydrophobicContact CG-CG2 4.27Å
365	M	98.4	Very high	97.5	Very high	49 Å²	49	41.4 Å²	41.4	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-46.5	177.6	-73.6	177.9	69.9	0	0	111.8	N320 L321 E361 Y362 V363 K368 V369	N320-M365 VanDerWaalsContact O-CE 3.3Å; N320-M365 WeakPolarHBondContact O-CE 3.26Å; L321-M365 HydrophobicContact CD2-CB 4.1Å; E361-M365 WeakPolarHBondContact O-CG 3.22Å; E361-M365 PolarHBondContact O-N 3.3Å; Y362-M365 HydrophobicContact CD1-SD 3.93Å; Y362-M365 HydrophobicContact CE1-SD 4.34Å; Y362-M365 PolarHBondContact O-N 3.13Å; V363-M365 PolarHBondContact O-N 3.39Å; M365-K368 PolarHBondContact O-N 3.41Å; M365-V369 WeakPolarHBondContact O-CG2 3.04Å; M365-V369 PolarHBondContact O-N 2.9Å
366	F	98.8	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-41.4	177.9	-83.7	-97.2	0	0	0	112.3	L321 P322 I327 Y362 V363 K368 S370 L394 V397 V398 L401 L448 L451	L321-F366 HydrophobicContact CB-CE2 4.42Å; L321-F366 HydrophobicContact CB-CZ 4.33Å; L321-F366 HydrophobicContact CD1-CD1 3.84Å; L321-F366 HydrophobicContact CD1-CE1 3.67Å; L321-F366 HydrophobicContact CD1-CG 4.41Å; L321-F366 HydrophobicContact CD1-CZ 4.06Å; L321-F366 HydrophobicContact CD2-CD1 4.28Å; L321-F366 HydrophobicContact CD2-CD2 3.88Å; L321-F366 HydrophobicContact CD2-CE2 4.12Å; L321-F366 HydrophobicContact CD2-CG 4.01Å; L321-F366 HydrophobicContact CD2-CZ 4.46Å; P322-F366 HydrophobicContact CG-CE2 4.01Å; I327-F366 HydrophobicContact CD1-CE2 4.01Å; I327-F366 HydrophobicContact CD1-CZ 3.93Å; Y362-F366 WeakPolarHBondContact O-CD2 3.39Å; Y362-F366 PolarHBondContact O-N 3Å; V363-F366 PolarHBondContact O-N 2.82Å; F366-K368 VanDerWaalsContact C-N 3.33Å; F366-K368 PolarHBondContact O-N 3.33Å; F366-S370 VanDerWaalsContact O-CB 3.32Å; F366-S370 WeakPolarHBondContact O-CB 3.26Å; F366-S370 PolarHBondContact O-N 3.12Å; F366-S370 PolarHBondContact O-OG 3.42Å; F366-L394 HydrophobicContact CE1-CD2 4.08Å; F366-L394 HydrophobicContact CZ-CD2 3.64Å; F366-V397 HydrophobicContact CB-CG1 4.4Å; F366-V397 HydrophobicContact CD1-CB 3.69Å; F366-V397 HydrophobicContact CD1-CG1 3.31Å; F366-V397 HydrophobicContact CD1-CG2 4.34Å; F366-V397 HydrophobicContact CE1-CB 3.67Å; F366-V397 HydrophobicContact CE1-CG1 3.76Å; F366-V397 HydrophobicContact CE1-CG2 3.91Å; F366-V397 HydrophobicContact CG-CG1 4.1Å; F366-V398 HydrophobicContact CD1-CG2 4.12Å; F366-L401 HydrophobicContact CB-CD1 4.34Å; F366-L448 HydrophobicContact CZ-CD2 4.4Å; F366-L451 HydrophobicContact CD2-CD2 3.59Å; F366-L451 HydrophobicContact CE1-CD2 4.35Å; F366-L451 HydrophobicContact CE2-CD2 3.38Å; F366-L451 HydrophobicContact CG-CD2 4.16Å; F366-L451 HydrophobicContact CZ-CD2 3.76Å
367	L	98.7	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-40.8	173.8	-73	171	0	0	0	111.9	V363 R364 A371 L401 M405 C455 Q458 L459 P629 V631	V363-L367 HydrophobicContact CG1-CD1 4.05Å; V363-L367 WeakPolarHBondContact O-CG 3.33Å; V363-L367 PolarHBondContact O-N 3.42Å; R364-L367 PolarHBondContact O-N 2.9Å; L367-A371 WeakPolarHBondContact O-CB 3.45Å; L367-A371 PolarHBondContact O-N 2.84Å; L367-L401 HydrophobicContact CD2-CD1 4.47Å; L367-M405 HydrophobicContact CD2-CE 3.97Å; L367-C455 HydrophobicContact CD2-CB 3.96Å; L367-C455 HydrophobicContact CG-CB 4.22Å; L367-Q458 HydrophobicContact CD1-CB 3.9Å; L367-Q458 HydrophobicContact CD1-CG 4.01Å; L367-L459 HydrophobicContact CD2-CD2 4.45Å; L367-L459 HydrophobicContact CD2-CG 4.23Å; L367-P629 HydrophobicContact CB-CB 4.47Å; L367-P629 HydrophobicContact CB-CG 4.06Å; L367-P629 HydrophobicContact CD2-CB 4.27Å; L367-P629 HydrophobicContact CD2-CG 4.17Å; L367-V631 HydrophobicContact CB-CG1 3.79Å
368	K	98	Very high	98	Very high	98 Å²	98	31.3 Å²	31.3	43%	0.426	14%	0.14	S	C	.	.	H	α-helix	trans	-65.2	-51.3	179.1	-173.2	-173.6	-179.9	-157.2	0	111.8	R364 M365 F366 S370 A371 E372 V631	R364-K368 VanDerWaalsContact O-CB 3.31Å; R364-K368 WeakPolarHBondContact O-CB 3.14Å; R364-K368 PolarHBondContact O-N 3.41Å; M365-K368 PolarHBondContact O-N 3.41Å; F366-K368 VanDerWaalsContact C-N 3.33Å; F366-K368 PolarHBondContact O-N 3.33Å; K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 2.82Å; K368-A371 PolarHBondContact O-N 3.39Å; K368-A371 VanDerWaalsContact O-N 3.15Å; K368-E372 WeakPolarHBondContact CE-OE1 3.15Å; K368-E372 IonicContact NZ-OE1 2.69Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.19Å; K368-V631 HydrophobicContact CB-CG1 4.5Å; K368-V631 HydrophobicContact CB-CG2 4.41Å; K368-V631 HydrophobicContact CG-CG2 4.44Å
369	V	98.5	Very high	97.8	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-42.4	177.9	171.5	0	0	0	0	110.5	T315 L317 N320 L321 M365 A371 E372 T373 V398	T315-V369 HydrophobicContact CG2-CG1 4.38Å; L317-V369 HydrophobicContact CD2-CG1 3.98Å; N320-V369 HydrophobicContact CB-CG2 4.39Å; L321-V369 HydrophobicContact CD2-CB 4.33Å; L321-V369 HydrophobicContact CD2-CG2 3.8Å; L321-V369 HydrophobicContact CG-CG2 4.26Å; M365-V369 WeakPolarHBondContact O-CG2 3.04Å; M365-V369 PolarHBondContact O-N 2.9Å; V369-A371 PolarHBondContact O-N 3.29Å; V369-E372 PolarHBondContact O-N 3.25Å; V369-T373 PolarHBondContact O-N 2.94Å; V369-T373 PolarHBondContact O-OG1 2.98Å; V369-V398 HydrophobicContact CG1-CG1 4.32Å; V369-V398 HydrophobicContact CG1-CG2 4.39Å
370	S	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-42.8	176.1	-55.6	0	0	0	0	112.2	F366 K368 E372 T373 V374 L401	F366-S370 VanDerWaalsContact O-CB 3.32Å; F366-S370 WeakPolarHBondContact O-CB 3.26Å; F366-S370 PolarHBondContact O-N 3.12Å; F366-S370 PolarHBondContact O-OG 3.42Å; K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 2.82Å; S370-E372 VanDerWaalsContact C-N 3.34Å; S370-E372 PolarHBondContact O-N 2.73Å; S370-T373 WeakPolarHBondContact O-CB 3.42Å; S370-T373 PolarHBondContact O-N 2.83Å; S370-V374 WeakPolarHBondContact O-CG2 3.4Å; S370-V374 PolarHBondContact O-N 2.74Å; S370-L401 WeakPolarHBondContact OG-CB 3.08Å
371	A	98.2	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-64.3	-36.8	176.3	0	0	0	0	0	112.6	L367 K368 V369 V374 Y375 F613 I628 P629	L367-A371 WeakPolarHBondContact O-CB 3.45Å; L367-A371 PolarHBondContact O-N 2.84Å; K368-A371 PolarHBondContact O-N 3.39Å; K368-A371 VanDerWaalsContact O-N 3.15Å; V369-A371 PolarHBondContact O-N 3.29Å; A371-V374 WeakPolarHBondContact O-CB 3.26Å; A371-V374 PolarHBondContact O-N 2.98Å; A371-Y375 PolarHBondContact O-N 3.15Å; A371-F613 HydrophobicContact CB-CE1 4.25Å; A371-F613 HydrophobicContact CB-CZ 4.21Å; A371-I628 HydrophobicContact CB-CG2 4.29Å; A371-P629 HydrophobicContact CB-CG 4.32Å
372	E	97.8	Very high	97.7	Very high	71 Å²	71	28.9 Å²	28.9	33%	0.332	14%	0.143	S	C	.	.	H	α-helix	trans	-66.3	-39.5	173.4	-71.4	175.8	-171.7	0	0	111.8	K368 V369 S370 V374 Y375 N376	K368-E372 WeakPolarHBondContact CE-OE1 3.15Å; K368-E372 IonicContact NZ-OE1 2.69Å; K368-E372 WeakPolarHBondContact O-CG 3.49Å; K368-E372 PolarHBondContact O-N 3.19Å; V369-E372 PolarHBondContact O-N 3.25Å; S370-E372 VanDerWaalsContact C-N 3.34Å; S370-E372 PolarHBondContact O-N 2.73Å; E372-V374 VanDerWaalsContact C-N 3.35Å; E372-Y375 WeakPolarHBondContact O-CB 3.24Å; E372-Y375 PolarHBondContact O-N 3.34Å; E372-N376 PolarHBondContact O-N 3.28Å; E372-N376 PolarHBondContact O-ND2 2.81Å
373	T	98.4	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-41.6	171.7	-58.6	0	0	0	0	111.7	L279 V369 S370 Y375 N376 L377 V384 L386 V402	L279-T373 HydrophobicContact CD1-CG2 3.99Å; V369-T373 PolarHBondContact O-N 2.94Å; V369-T373 PolarHBondContact O-OG1 2.98Å; S370-T373 WeakPolarHBondContact O-CB 3.42Å; S370-T373 PolarHBondContact O-N 2.83Å; T373-Y375 VanDerWaalsContact C-N 3.34Å; T373-Y375 PolarHBondContact O-N 2.94Å; T373-N376 PolarHBondContact O-N 2.88Å; T373-L377 HydrophobicContact CG2-CD1 4.08Å; T373-L377 WeakPolarHBondContact O-CG 3.4Å; T373-L377 PolarHBondContact O-N 2.89Å; T373-V384 HydrophobicContact CG2-CB 4.23Å; T373-V384 HydrophobicContact CG2-CG1 3.94Å; T373-V384 HydrophobicContact CG2-CG2 4.37Å; T373-L386 HydrophobicContact CG2-CD2 4.29Å; T373-V402 HydrophobicContact CG2-CB 4.49Å; T373-V402 HydrophobicContact CG2-CG1 4.09Å; T373-V402 HydrophobicContact CG2-CG2 3.6Å
374	V	98.3	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-44.3	173.7	169.3	0	0	0	0	111.2	S370 A371 E372 N376 L377 D378 V402 M405 L406 V626 I628	S370-V374 WeakPolarHBondContact O-CG2 3.4Å; S370-V374 PolarHBondContact O-N 2.74Å; A371-V374 WeakPolarHBondContact O-CB 3.26Å; A371-V374 PolarHBondContact O-N 2.98Å; E372-V374 VanDerWaalsContact C-N 3.35Å; V374-N376 VanDerWaalsContact C-N 3.29Å; V374-N376 PolarHBondContact O-N 2.83Å; V374-L377 PolarHBondContact O-N 3.14Å; V374-D378 WeakPolarHBondContact O-CB 3.18Å; V374-D378 PolarHBondContact O-N 3.4Å; V374-V402 HydrophobicContact CG2-CB 4.42Å; V374-V402 HydrophobicContact CG2-CG1 4.07Å; V374-V402 HydrophobicContact CG2-CG2 4.37Å; V374-M405 HydrophobicContact CG2-CB 3.71Å; V374-M405 HydrophobicContact CG2-CG 4.42Å; V374-M405 HydrophobicContact CG2-SD 3.85Å; V374-L406 HydrophobicContact CG1-CD2 3.74Å; V374-L406 HydrophobicContact CG1-CG 4.2Å; V374-L406 HydrophobicContact CG2-CD1 4.22Å; V374-L406 HydrophobicContact CG2-CD2 4.48Å; V374-L406 HydrophobicContact CG2-CG 4.03Å; V374-V626 HydrophobicContact CG1-CG1 3.71Å; V374-I628 HydrophobicContact CB-CD1 4.16Å; V374-I628 HydrophobicContact CG1-CD1 3.47Å; V374-I628 VanDerWaalsContact CG1-CD1 3.47Å
375	Y	97.6	Very high	97.7	Very high	25 Å²	25	24.8 Å²	24.8	10%	0.098	13%	0.127	C	C	.	.	I	π-helix	trans	-59.1	-39.2	175.4	166.4	-117.2	0	0	0	112.6	A371 E372 T373 G379 K380 P608 F612	A371-Y375 PolarHBondContact O-N 3.15Å; E372-Y375 WeakPolarHBondContact O-CB 3.24Å; E372-Y375 PolarHBondContact O-N 3.34Å; T373-Y375 VanDerWaalsContact C-N 3.34Å; T373-Y375 PolarHBondContact O-N 2.94Å; Y375-G379 CarbonylContact O-C 3.57Å; Y375-G379 WeakPolarHBondContact O-CA 3.22Å; Y375-G379 PolarHBondContact O-N 3.25Å; Y375-K380 HydrophobicContact CE1-CD 4.32Å; Y375-K380 VanDerWaalsContact CE1-CE 3.46Å; Y375-K380 HydrophobicContact CE1-CG 4.26Å; Y375-K380 HydrophobicContact CE2-CG 4.42Å; Y375-K380 PolarHBondContact O-N 3Å; Y375-P608 VanDerWaalsContact OH-CB 3.26Å; Y375-P608 WeakPolarHBondContact OH-CB 3.46Å; Y375-F612 HydrophobicContact CD2-CB 3.64Å; Y375-F612 AromaticContact CD2-CD1 3.44Å; Y375-F612 HydrophobicContact CD2-CD1 3.44Å; Y375-F612 VanDerWaalsContact CD2-CD1 3.44Å; Y375-F612 AromaticContact CD2-CD2 3.68Å; Y375-F612 HydrophobicContact CD2-CD2 3.68Å; Y375-F612 AromaticContact CD2-CE1 3.96Å; Y375-F612 HydrophobicContact CD2-CE1 3.96Å; Y375-F612 HydrophobicContact CD2-CE2 4.16Å; Y375-F612 AromaticContact CD2-CG 3.29Å; Y375-F612 HydrophobicContact CD2-CG 3.29Å; Y375-F612 HydrophobicContact CD2-CZ 4.29Å; Y375-F612 HydrophobicContact CE2-CB 3.53Å; Y375-F612 HydrophobicContact CE2-CD1 4.24Å; Y375-F612 AromaticContact CE2-CD2 3.89Å; Y375-F612 HydrophobicContact CE2-CD2 3.89Å; Y375-F612 AromaticContact CE2-CG 3.63Å; Y375-F612 HydrophobicContact CE2-CG 3.63Å; Y375-F612 HydrophobicContact CG-CD1 4.08Å; Y375-F612 HydrophobicContact CG-CG 4.31Å
376	N	97.8	Very high	97.7	Very high	16 Å²	16	22.5 Å²	22.5	9%	0.086	12%	0.116	C	C	.	.	I	π-helix	trans	-66.4	-42.6	175.6	-68	-40.9	0	0	0	111.8	E372 T373 V374 K380 N381 V382 V384	E372-N376 PolarHBondContact O-N 3.28Å; E372-N376 PolarHBondContact O-ND2 2.81Å; T373-N376 PolarHBondContact O-N 2.88Å; V374-N376 VanDerWaalsContact C-N 3.29Å; V374-N376 PolarHBondContact O-N 2.83Å; N376-K380 WeakPolarHBondContact O-CB 3.47Å; N376-K380 WeakPolarHBondContact OD1-CD 3.36Å; N376-K380 PolarHBondContact OD1-NZ 3.16Å; N376-N381 PolarHBondContact O-N 3.33Å; N376-V382 HydrophobicContact CB-CG2 4.03Å; N376-V382 VanDerWaalsContact O-CG2 3.29Å; N376-V382 WeakPolarHBondContact O-CG2 3.4Å; N376-V382 PolarHBondContact O-N 2.99Å; N376-V382 VanDerWaalsContact O-N 3.13Å; N376-V384 HydrophobicContact CB-CG2 3.6Å
377	L	97.6	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-70.8	-48.1	-179.2	-70.6	166.6	0	0	0	113.5	N275 L279 T373 V374 N381 V384 V402 L406	N275-L377 PolarHBondContact ND2-O 3.01Å; L279-L377 HydrophobicContact CB-CD1 4.32Å; L279-L377 HydrophobicContact CD1-CD1 4.36Å; T373-L377 HydrophobicContact CG2-CD1 4.08Å; T373-L377 WeakPolarHBondContact O-CG 3.4Å; T373-L377 PolarHBondContact O-N 2.89Å; V374-L377 PolarHBondContact O-N 3.14Å; L377-N381 WeakPolarHBondContact O-CA 3.11Å; L377-V384 HydrophobicContact CD2-CB 4.3Å; L377-V384 HydrophobicContact CD2-CG2 4.01Å; L377-V384 HydrophobicContact CG-CB 4.48Å; L377-V384 HydrophobicContact CG-CG2 3.94Å; L377-V402 HydrophobicContact CD1-CG1 3.56Å; L377-L406 HydrophobicContact CB-CD1 4.2Å; L377-L406 HydrophobicContact CD1-CD1 3.67Å
378	D	95.2	Very high	97.5	Very high	40 Å²	40	23.8 Å²	23.8	21%	0.214	12%	0.122	C	C	.	.	I	π-helix	trans	-93.4	-46.2	-174.3	-177.1	69.5	0	0	0	112.3	H273 V374 N381 L406	H273-D378 IonicContact CE1-OD1 3.72Å; H273-D378 PolarHBondContact CE1-OD1 3.46Å; H273-D378 IonicContact NE2-OD1 2.72Å; H273-D378 PolarHBondContact NE2-OD1 2.95Å; V374-D378 WeakPolarHBondContact O-CB 3.18Å; V374-D378 PolarHBondContact O-N 3.4Å; D378-N381 PolarHBondContact O-OD1 2.83Å; D378-L406 HydrophobicContact CB-CD2 4.14Å
379	G	94.1	Very high	97.3	Very high	30 Å²	30	25.1 Å²	25.1	31%	0.309	13%	0.13	S	C	.	.	I	π-helix	trans	-75.1	-49.9	-177.2	0	0	0	0	0	113.4	Y375	Y375-G379 CarbonylContact O-C 3.57Å; Y375-G379 WeakPolarHBondContact O-CA 3.22Å; Y375-G379 PolarHBondContact O-N 3.25Å
380	K	95.8	Very high	97.1	Very high	97 Å²	97	28.2 Å²	28.2	42%	0.422	14%	0.144	S	C	.	.	S	Bend	trans	-86.9	-15.8	179.5	-67.2	-175.8	-175	158.1	0	114	Y375 N376 V382	Y375-K380 HydrophobicContact CE1-CD 4.32Å; Y375-K380 VanDerWaalsContact CE1-CE 3.46Å; Y375-K380 HydrophobicContact CE1-CG 4.26Å; Y375-K380 HydrophobicContact CE2-CG 4.42Å; Y375-K380 PolarHBondContact O-N 3Å; N376-K380 WeakPolarHBondContact O-CB 3.47Å; N376-K380 WeakPolarHBondContact OD1-CD 3.36Å; N376-K380 PolarHBondContact OD1-NZ 3.16Å; K380-V382 HydrophobicContact CB-CG1 4.3Å; K380-V382 HydrophobicContact CB-CG2 4.01Å
381	N	96.4	Very high	97	Very high	59 Å²	59	28.2 Å²	28.2	32%	0.316	14%	0.144	S	C	.	.			trans	56.1	48.1	-174.1	-52.6	-74.6	0	0	0	112.3	N275 S277 H306 R310 N376 L377 D378	N275-N381 PolarHBondContact ND2-OD1 3.36Å; S277-N381 PolarHBondContact OG-O 2.89Å; H306-N381 PolarHBondContact NE2-O 3.48Å; R310-N381 WeakPolarHBondContact CG-O 3.37Å; N376-N381 PolarHBondContact O-N 3.33Å; L377-N381 WeakPolarHBondContact O-CA 3.11Å; D378-N381 PolarHBondContact O-OD1 2.83Å
382	V	97.8	Very high	96.8	Very high	18 Å²	18	29.3 Å²	29.3	11%	0.109	15%	0.147	C	C	.	.			trans	-121.5	145.3	176	-62.8	0	0	0	0	110.8	S277 R310 E311 N376 K380	S277-V382 WeakPolarHBondContact CB-O 3.27Å; S277-V382 PolarHBondContact OG-N 3.45Å; R310-V382 HydrophobicContact CB-CG1 4.29Å; E311-V382 WeakPolarHBondContact O-CB 3.4Å; N376-V382 HydrophobicContact CB-CG2 4.03Å; N376-V382 VanDerWaalsContact O-CG2 3.29Å; N376-V382 WeakPolarHBondContact O-CG2 3.4Å; N376-V382 PolarHBondContact O-N 2.99Å; N376-V382 VanDerWaalsContact O-N 3.13Å; K380-V382 HydrophobicContact CB-CG1 4.3Å; K380-V382 HydrophobicContact CB-CG2 4.01Å
383	S	98.4	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.			trans	-68.3	145.7	170.5	-60.9	0	0	0	0	110.4	A278 T313	A278-S383 PolarHBondContact N-OG 3.05Å; A278-S383 CarbonylContact O-C 3.49Å; A278-S383 VanDerWaalsContact O-CA 3.23Å; A278-S383 WeakPolarHBondContact O-CA 3.43Å; A278-S383 WeakPolarHBondContact O-CB 3.44Å; T313-S383 PolarHBondContact N-O 3.49Å
384	V	98.6	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.2	-178.2	-177.3	0	0	0	0	111.1	A278 L279 V280 T313 T373 N376 L377 L386	A278-V384 PolarHBondContact O-N 3.23Å; L279-V384 HydrophobicContact CD1-CB 4.39Å; V280-V384 PolarHBondContact N-O 2.88Å; T313-V384 CarbonylContact O-C 3.52Å; T313-V384 VanDerWaalsContact O-CA 3.26Å; T313-V384 WeakPolarHBondContact O-CA 3.28Å; T373-V384 HydrophobicContact CG2-CB 4.23Å; T373-V384 HydrophobicContact CG2-CG1 3.94Å; T373-V384 HydrophobicContact CG2-CG2 4.37Å; N376-V384 HydrophobicContact CB-CG2 3.6Å; L377-V384 HydrophobicContact CD2-CB 4.3Å; L377-V384 HydrophobicContact CD2-CG2 4.01Å; L377-V384 HydrophobicContact CG-CB 4.48Å; L377-V384 HydrophobicContact CG-CG2 3.94Å; V384-L386 HydrophobicContact CG1-CD2 4.16Å
385	V	98.6	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.6	170	179	0	0	0	0	109.4	V280 M282 F299 I302 V312 T313 F314 T315	V280-V385 HydrophobicContact CB-CG2 4.13Å; V280-V385 HydrophobicContact CG1-CG2 4.47Å; V280-V385 CarbonylContact O-C 3.54Å; V280-V385 WeakPolarHBondContact O-CA 3.47Å; M282-V385 HydrophobicContact CB-CG1 3.68Å; M282-V385 HydrophobicContact CE-CG1 4.04Å; M282-V385 HydrophobicContact SD-CG1 4.22Å; F299-V385 HydrophobicContact CD1-CG2 4.29Å; F299-V385 HydrophobicContact CE1-CB 4.34Å; F299-V385 HydrophobicContact CE1-CG1 4.46Å; F299-V385 HydrophobicContact CE1-CG2 3.95Å; I302-V385 HydrophobicContact CD1-CG2 3.57Å; V312-V385 HydrophobicContact CG1-CG2 3.66Å; T313-V385 PolarHBondContact O-N 2.95Å; F314-V385 CarbonylContact C-O 3.54Å; F314-V385 WeakPolarHBondContact CA-O 3.39Å; F314-V385 HydrophobicContact CB-CB 4.04Å; F314-V385 WeakPolarHBondContact CB-O 3.4Å; T315-V385 PolarHBondContact N-O 3.23Å
386	L	98.6	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.6	170.3	-56.1	179	0	0	0	108.7	L279 V280 R281 M282 L317 T373 V384 N395 V398	L279-L386 HydrophobicContact CD1-CD1 3.93Å; L279-L386 HydrophobicContact CD1-CD2 4.49Å; L279-L386 HydrophobicContact CD1-CG 3.93Å; V280-L386 PolarHBondContact O-N 3.07Å; R281-L386 CarbonylContact C-O 3.57Å; M282-L386 PolarHBondContact N-O 2.62Å; L317-L386 HydrophobicContact CD1-CB 4.48Å; L317-L386 HydrophobicContact CD2-CD2 4.41Å; T373-L386 HydrophobicContact CG2-CD2 4.29Å; V384-L386 HydrophobicContact CG1-CD2 4.16Å; L386-N395 WeakPolarHBondContact CB-OD1 3.46Å; L386-N395 PolarHBondContact O-ND2 3.33Å; L386-V398 HydrophobicContact CD1-CB 4.02Å; L386-V398 HydrophobicContact CD1-CG1 3.74Å; L386-V398 HydrophobicContact CD2-CG1 4.01Å
387	L	96.8	Very high	96.9	Very high	21 Å²	21	24.2 Å²	24.2	11%	0.11	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.9	-179.3	177.7	65.7	0	0	0	109.5	M282 A283 T315 L317	M282-L387 HydrophobicContact CB-CD1 4.46Å; M282-L387 HydrophobicContact CE-CD1 3.83Å; M282-L387 HydrophobicContact CG-CD1 4.41Å; M282-L387 WeakPolarHBondContact O-CA 3.21Å; A283-L387 WeakPolarHBondContact O-CD1 3.5Å; T315-L387 PolarHBondContact O-N 3.33Å; L317-L387 WeakPolarHBondContact CB-O 3.14Å; L317-L387 PolarHBondContact N-O 3.47Å
388	E	96.4	Very high	96.9	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.7	171.9	178.3	-169.5	177.3	0	0	107.5	M282 A283 G284 D318 E390 D391 R392 D393 L394 N395	M282-E388 PolarHBondContact O-N 2.83Å; A283-E388 CarbonylContact C-O 3.49Å; A283-E388 VanDerWaalsContact CA-O 3.24Å; A283-E388 WeakPolarHBondContact CA-O 3.35Å; G284-E388 PolarHBondContact N-O 3.37Å; D318-E388 VanDerWaalsContact OD2-CA 3.32Å; D318-E388 WeakPolarHBondContact OD2-CA 3.32Å; E388-E390 PolarHBondContact O-N 3.45Å; E388-D391 PolarHBondContact O-N 2.9Å; E388-D391 WeakPolarHBondContact OE2-CA 3.33Å; E388-R392 PolarHBondContact OE2-N 2.84Å; E388-D393 WeakPolarHBondContact OE1-CA 3.37Å; E388-D393 WeakPolarHBondContact OE1-CB 3.4Å; E388-D393 PolarHBondContact OE1-N 3.35Å; E388-D393 PolarHBondContact OE2-N 3Å; E388-L394 HydrophobicContact CG-CB 4.29Å; E388-L394 PolarHBondContact OE1-N 3.15Å; E388-L394 PolarHBondContact OE2-N 3.41Å; E388-L394 VanDerWaalsContact OE2-N 3.11Å; E388-N395 HydrophobicContact CB-CB 4.4Å; E388-N395 WeakPolarHBondContact CB-ND2 3.35Å; E388-N395 VanDerWaalsContact OE2-CB 3.26Å; E388-N395 WeakPolarHBondContact OE2-CB 3.43Å; E388-N395 PolarHBondContact OE2-N 2.92Å
389	E	94.3	Very high	97.1	Very high	126 Å²	126	22.3 Å²	22.3	59%	0.589	11%	0.113	S	C	*	.	S	Bend	trans	-52.6	-49.6	-176.2	-172.7	174.4	-174.1	0	0	112.7	N262 G284 D318	N262-E389 WeakPolarHBondContact CB-O 3.39Å; N262-E389 WeakPolarHBondContact ND2-CG 3.48Å; N262-E389 PolarHBondContact ND2-O 3.13Å; G284-E389 PolarHBondContact N-O 3.37Å; D318-E389 PolarHBondContact OD2-N 2.58Å
390	E	93.2	Very high	97.3	Very high	78 Å²	78	20.9 Å²	20.9	36%	0.364	10%	0.099	S	C	.	.	S	Bend	trans	-98.4	-16.5	179.2	-69.7	-166.2	-123.4	0	0	114.2	R265 E388 R392 R430	R265-E390 WeakPolarHBondContact CD-O 3.23Å; R265-E390 PolarHBondContact NE-O 3.42Å; E388-E390 PolarHBondContact O-N 3.45Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 WeakPolarHBondContact O-CG 3.32Å; E390-R392 PolarHBondContact O-N 3.44Å; E390-R430 IonicContact OE1-CZ 3.92Å; E390-R430 IonicContact OE1-NH1 3.15Å; E390-R430 PolarHBondContact OE1-NH1 2.94Å; E390-R430 IonicContact OE1-NH2 3.52Å; E390-R430 PolarHBondContact OE1-NH2 3.18Å; E390-R430 IonicContact OE2-CZ 2.8Å; E390-R430 IonicContact OE2-NE 3.35Å; E390-R430 IonicContact OE2-NH1 2.81Å; E390-R430 PolarHBondContact OE2-NH1 2.83Å; E390-R430 IonicContact OE2-NH2 2.9Å; E390-R430 PolarHBondContact OE2-NH2 2.72Å
391	D	96.2	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	52.8	41.8	-171.6	176.9	47.3	0	0	0	114.3	R265 R281 A283 E388 N395	R265-D391 IonicContact CZ-OD2 2.89Å; R265-D391 IonicContact NE-OD2 3.15Å; R265-D391 PolarHBondContact NE-OD2 3.1Å; R265-D391 PolarHBondContact NH2-O 2.91Å; R265-D391 IonicContact NH2-OD2 2.71Å; R265-D391 PolarHBondContact NH2-OD2 3.45Å; R281-D391 WeakPolarHBondContact CB-OD1 3.21Å; R281-D391 IonicContact CZ-OD1 3.88Å; R281-D391 IonicContact NE-OD1 3.27Å; R281-D391 PolarHBondContact NE-OD1 3.27Å; R281-D391 PolarHBondContact NH2-O 3.19Å; R281-D391 VanDerWaalsContact NH2-O 3.13Å; R281-D391 IonicContact NH2-OD1 3.87Å; R281-D391 PolarHBondContact NH2-OD1 3.43Å; A283-D391 HydrophobicContact CB-CB 3.86Å; E388-D391 PolarHBondContact O-N 2.9Å; E388-D391 WeakPolarHBondContact OE2-CA 3.33Å; D391-N395 WeakPolarHBondContact OD1-CB 2.95Å; D391-N395 PolarHBondContact OD1-ND2 3.12Å
392	R	95.6	Very high	97.6	Very high	27 Å²	27	13.4 Å²	13.4	10%	0.102	6%	0.064	C	C	.	.	S	Bend	trans	-130.7	-9.2	-176.6	-67.6	179.9	77	172.8	8.1	114.1	S238 E388 E390 C396 G428 H429 R430 N492	S238-R392 VanDerWaalsContact CB-CZ 3.48Å; E388-R392 PolarHBondContact OE2-N 2.84Å; E390-R392 VanDerWaalsContact C-N 3.33Å; E390-R392 WeakPolarHBondContact O-CG 3.32Å; E390-R392 PolarHBondContact O-N 3.44Å; R392-C396 PolarHBondContact O-SG 3.33Å; R392-C396 VanDerWaalsContact O-SG 3.38Å; R392-G428 PolarHBondContact NE-O 3.18Å; R392-G428 PolarHBondContact NH2-O 3.14Å; R392-H429 PolarHBondContact O-ND1 3.17Å; R392-R430 VanDerWaalsContact CZ-CG 3.45Å; R392-N492 PolarHBondContact NH2-O 3.14Å
393	D	97	Very high	97.6	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	6%	0.058	C	C	.	.	S	Bend	trans	-129.5	-79.2	-170.9	-68.6	-62.1	0	0	0	111	I324 E388 N395 C396 H429 R430 R434 L448	I324-D393 HydrophobicContact CG2-CB 4.23Å; E388-D393 WeakPolarHBondContact OE1-CA 3.37Å; E388-D393 WeakPolarHBondContact OE1-CB 3.4Å; E388-D393 PolarHBondContact OE1-N 3.35Å; E388-D393 PolarHBondContact OE2-N 3Å; D393-N395 PolarHBondContact O-N 3.42Å; D393-C396 WeakPolarHBondContact O-CB 3.43Å; D393-C396 PolarHBondContact O-N 2.97Å; D393-H429 IonicContact OD1-CE1 3.34Å; D393-H429 PolarHBondContact OD1-CE1 3.15Å; D393-H429 IonicContact OD1-ND1 3.69Å; D393-H429 PolarHBondContact OD1-ND1 2.81Å; D393-R430 IonicContact OD2-CZ 3.55Å; D393-R430 IonicContact OD2-NE 3.55Å; D393-R430 IonicContact OD2-NH2 3.46Å; D393-R430 PolarHBondContact OD2-NH2 3.2Å; D393-R434 IonicContact OD1-CZ 3.73Å; D393-R434 IonicContact OD1-NE 3Å; D393-R434 PolarHBondContact OD1-NE 3.3Å; D393-R434 IonicContact OD1-NH2 3.74Å; D393-R434 PolarHBondContact OD1-NH2 3.4Å; D393-R434 IonicContact OD2-CZ 3.25Å; D393-R434 IonicContact OD2-NE 2.79Å; D393-R434 IonicContact OD2-NH2 3.73Å; D393-R434 PolarHBondContact OD2-NH2 2.9Å; D393-L448 HydrophobicContact CB-CD1 3.51Å; D393-L448 WeakPolarHBondContact OD1-CD1 3.32Å
394	L	98.4	Very high	97.7	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-173.2	-56.1	-177.1	0	0	0	112.5	L317 L321 I327 F366 E388 C396 V397 V398 L448	L317-L394 HydrophobicContact CB-CB 4.1Å; L317-L394 HydrophobicContact CB-CD1 4.16Å; L317-L394 HydrophobicContact CD1-CB 3.89Å; L321-L394 HydrophobicContact CB-CD1 4.3Å; I327-L394 HydrophobicContact CD1-CD2 4.3Å; F366-L394 HydrophobicContact CE1-CD2 4.08Å; F366-L394 HydrophobicContact CZ-CD2 3.64Å; E388-L394 HydrophobicContact CG-CB 4.29Å; E388-L394 PolarHBondContact OE1-N 3.15Å; E388-L394 PolarHBondContact OE2-N 3.41Å; E388-L394 VanDerWaalsContact OE2-N 3.11Å; L394-C396 PolarHBondContact O-N 2.72Å; L394-V397 PolarHBondContact O-N 3.44Å; L394-V397 VanDerWaalsContact O-N 3.13Å; L394-V398 PolarHBondContact O-N 3.17Å; L394-V398 VanDerWaalsContact O-N 3.15Å; L394-L448 HydrophobicContact CD2-CD2 4.15Å
395	N	98.2	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.7	-36	178.3	-84.9	-16.4	0	0	0	111.4	R281 L317 L386 E388 D391 D393 V397 S399	R281-N395 HydrophobicContact CG-CB 3.97Å; R281-N395 VanDerWaalsContact NE-CB 3.33Å; L317-N395 HydrophobicContact CD1-CB 4.4Å; L317-N395 WeakPolarHBondContact CD1-OD1 3.4Å; L386-N395 WeakPolarHBondContact CB-OD1 3.46Å; L386-N395 PolarHBondContact O-ND2 3.33Å; E388-N395 HydrophobicContact CB-CB 4.4Å; E388-N395 WeakPolarHBondContact CB-ND2 3.35Å; E388-N395 VanDerWaalsContact OE2-CB 3.26Å; E388-N395 WeakPolarHBondContact OE2-CB 3.43Å; E388-N395 PolarHBondContact OE2-N 2.92Å; D391-N395 WeakPolarHBondContact OD1-CB 2.95Å; D391-N395 PolarHBondContact OD1-ND2 3.12Å; D393-N395 PolarHBondContact O-N 3.42Å; N395-V397 VanDerWaalsContact C-N 3.31Å; N395-V397 PolarHBondContact O-N 3.13Å; N395-S399 WeakPolarHBondContact O-CB 2.97Å; N395-S399 PolarHBondContact O-N 3.2Å; N395-S399 PolarHBondContact O-OG 2.86Å
396	C	98.4	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-41.4	177.3	-58.4	0	0	0	0	111.7	R281 R392 D393 L394 S399 S400 E423 W424	R281-C396 PolarHBondContact NH1-SG 2.88Å; R281-C396 PolarHBondContact NH2-SG 2.88Å; R392-C396 PolarHBondContact O-SG 3.33Å; R392-C396 VanDerWaalsContact O-SG 3.38Å; D393-C396 WeakPolarHBondContact O-CB 3.43Å; D393-C396 PolarHBondContact O-N 2.97Å; L394-C396 PolarHBondContact O-N 2.72Å; C396-S399 PolarHBondContact O-OG 3.1Å; C396-S400 WeakPolarHBondContact O-CB 3.33Å; C396-S400 PolarHBondContact O-N 3.36Å; C396-S400 PolarHBondContact O-OG 2.94Å; C396-E423 PolarHBondContact SG-O 3.07Å; C396-W424 HydrophobicContact CB-CD2 3.77Å; C396-W424 HydrophobicContact CB-CE3 3.91Å; C396-W424 HydrophobicContact CB-CG 4.35Å; C396-W424 HydrophobicContact CB-CH2 4.09Å; C396-W424 HydrophobicContact CB-CZ2 3.92Å; C396-W424 HydrophobicContact CB-CZ3 4.07Å
397	V	98.8	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69	-54.6	-179.4	-173.7	0	0	0	0	110	F366 L394 N395 S400 L401 W424 L448 F452	F366-V397 HydrophobicContact CB-CG1 4.4Å; F366-V397 HydrophobicContact CD1-CB 3.69Å; F366-V397 HydrophobicContact CD1-CG1 3.31Å; F366-V397 HydrophobicContact CD1-CG2 4.34Å; F366-V397 HydrophobicContact CE1-CB 3.67Å; F366-V397 HydrophobicContact CE1-CG1 3.76Å; F366-V397 HydrophobicContact CE1-CG2 3.91Å; F366-V397 HydrophobicContact CG-CG1 4.1Å; L394-V397 PolarHBondContact O-N 3.44Å; L394-V397 VanDerWaalsContact O-N 3.13Å; N395-V397 VanDerWaalsContact C-N 3.31Å; N395-V397 PolarHBondContact O-N 3.13Å; V397-S400 PolarHBondContact O-N 2.88Å; V397-L401 HydrophobicContact CG1-CD1 3.84Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 WeakPolarHBondContact O-CB 3.45Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.3Å; V397-L401 PolarHBondContact O-N 3.3Å; V397-W424 HydrophobicContact CB-CZ2 4.48Å; V397-W424 HydrophobicContact CG2-CH2 3.64Å; V397-W424 HydrophobicContact CG2-CZ2 3.95Å; V397-L448 HydrophobicContact CG2-CD2 4.14Å; V397-F452 HydrophobicContact CG1-CB 4.2Å; V397-F452 HydrophobicContact CG1-CD2 4.44Å; V397-F452 HydrophobicContact CG2-CB 4.41Å
398	V	98.8	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.7	-44.1	-174.4	179.7	0	0	0	0	111	L317 L321 F366 V369 L386 L394 S400 L401 V402	L317-V398 HydrophobicContact CD1-CB 4.05Å; L317-V398 HydrophobicContact CD1-CG2 3.79Å; L317-V398 HydrophobicContact CD2-CG1 4.5Å; L317-V398 HydrophobicContact CD2-CG2 4.07Å; L321-V398 HydrophobicContact CD1-CG2 3.74Å; F366-V398 HydrophobicContact CD1-CG2 4.12Å; V369-V398 HydrophobicContact CG1-CG1 4.32Å; V369-V398 HydrophobicContact CG1-CG2 4.39Å; L386-V398 HydrophobicContact CD1-CB 4.02Å; L386-V398 HydrophobicContact CD1-CG1 3.74Å; L386-V398 HydrophobicContact CD2-CG1 4.01Å; L394-V398 PolarHBondContact O-N 3.17Å; L394-V398 VanDerWaalsContact O-N 3.15Å; V398-S400 VanDerWaalsContact C-N 3.29Å; V398-S400 PolarHBondContact O-N 3.47Å; V398-L401 PolarHBondContact O-N 3.44Å; V398-V402 HydrophobicContact CG1-CG2 4.2Å; V398-V402 WeakPolarHBondContact O-CB 3.4Å; V398-V402 WeakPolarHBondContact O-CG2 3.38Å; V398-V402 PolarHBondContact O-N 3.49Å
399	S	98.8	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62	-38.5	179.3	73.6	0	0	0	0	112.1	N395 C396 Q403 E423	N395-S399 WeakPolarHBondContact O-CB 2.97Å; N395-S399 PolarHBondContact O-N 3.2Å; N395-S399 PolarHBondContact O-OG 2.86Å; C396-S399 PolarHBondContact O-OG 3.1Å; S399-Q403 WeakPolarHBondContact O-CB 3.35Å; S399-Q403 VanDerWaalsContact O-CG 3.26Å; S399-Q403 WeakPolarHBondContact O-CG 3.38Å; S399-Q403 PolarHBondContact O-N 2.87Å; S399-Q403 PolarHBondContact O-NE2 2.96Å; S399-E423 WeakPolarHBondContact CB-OE2 3.37Å; S399-E423 PolarHBondContact OG-OE2 3.15Å
400	S	98.9	Very high	97.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.7	-44.5	178.3	-61.3	0	0	0	0	111.7	C396 V397 V398 Q403 L404 E423 W424	C396-S400 WeakPolarHBondContact O-CB 3.33Å; C396-S400 PolarHBondContact O-N 3.36Å; C396-S400 PolarHBondContact O-OG 2.94Å; V397-S400 PolarHBondContact O-N 2.88Å; V398-S400 VanDerWaalsContact C-N 3.29Å; V398-S400 PolarHBondContact O-N 3.47Å; S400-Q403 PolarHBondContact O-N 2.77Å; S400-L404 WeakPolarHBondContact O-CG 3.29Å; S400-L404 PolarHBondContact O-N 3.44Å; S400-E423 WeakPolarHBondContact OG-CB 3.33Å; S400-W424 PolarHBondContact OG-NE1 3.44Å
401	L	98.9	Very high	97.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64.6	-43.5	179.1	-71.7	176.5	0	0	0	112	F366 L367 S370 V397 V398 Q403 L404 M405 F452 C455 V456 L459	F366-L401 HydrophobicContact CB-CD1 4.34Å; L367-L401 HydrophobicContact CD2-CD1 4.47Å; S370-L401 WeakPolarHBondContact OG-CB 3.08Å; V397-L401 HydrophobicContact CG1-CD1 3.84Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 WeakPolarHBondContact O-CB 3.45Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.3Å; V397-L401 PolarHBondContact O-N 3.3Å; V398-L401 PolarHBondContact O-N 3.44Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; L401-Q403 PolarHBondContact O-N 2.91Å; L401-L404 PolarHBondContact O-N 3.2Å; L401-M405 HydrophobicContact CB-CE 4.32Å; L401-M405 WeakPolarHBondContact O-CB 3.32Å; L401-M405 VanDerWaalsContact O-CG 3.24Å; L401-M405 WeakPolarHBondContact O-CG 3.33Å; L401-M405 PolarHBondContact O-N 3.04Å; L401-F452 HydrophobicContact CD2-CD2 4.12Å; L401-F452 HydrophobicContact CD2-CE2 4.13Å; L401-F452 HydrophobicContact CG-CD2 4.22Å; L401-F452 HydrophobicContact CG-CE2 4.39Å; L401-C455 HydrophobicContact CD1-CB 3.77Å; L401-C455 HydrophobicContact CD2-CB 3.63Å; L401-C455 HydrophobicContact CG-CB 4.32Å; L401-V456 HydrophobicContact CD2-CG2 4.23Å; L401-L459 HydrophobicContact CD2-CD1 4.28Å
402	V	98.9	Very high	97.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.4	-44.5	174.9	171.1	0	0	0	0	110.9	L279 T373 V374 L377 V398 M405 L406	L279-V402 HydrophobicContact CD2-CB 4.08Å; L279-V402 HydrophobicContact CD2-CG1 3.8Å; T373-V402 HydrophobicContact CG2-CB 4.49Å; T373-V402 HydrophobicContact CG2-CG1 4.09Å; T373-V402 HydrophobicContact CG2-CG2 3.6Å; V374-V402 HydrophobicContact CG2-CB 4.42Å; V374-V402 HydrophobicContact CG2-CG1 4.07Å; V374-V402 HydrophobicContact CG2-CG2 4.37Å; L377-V402 HydrophobicContact CD1-CG1 3.56Å; V398-V402 HydrophobicContact CG1-CG2 4.2Å; V398-V402 WeakPolarHBondContact O-CB 3.4Å; V398-V402 WeakPolarHBondContact O-CG2 3.38Å; V398-V402 PolarHBondContact O-N 3.49Å; V402-M405 PolarHBondContact O-N 2.8Å; V402-L406 HydrophobicContact CG1-CD1 3.71Å; V402-L406 WeakPolarHBondContact O-CB 3.33Å; V402-L406 WeakPolarHBondContact O-CG 3.4Å; V402-L406 PolarHBondContact O-N 3.39Å
403	Q	98.8	Very high	97.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-39.5	177.1	-79.8	176.9	83.4	0	0	112.6	W271 L279 S399 S400 L401 L406 D407 Y410 L419 E423	W271-Q403 HydrophobicContact CB-CG 3.73Å; W271-Q403 HydrophobicContact CG-CG 3.88Å; L279-Q403 HydrophobicContact CD2-CG 4.33Å; S399-Q403 WeakPolarHBondContact O-CB 3.35Å; S399-Q403 VanDerWaalsContact O-CG 3.26Å; S399-Q403 WeakPolarHBondContact O-CG 3.38Å; S399-Q403 PolarHBondContact O-N 2.87Å; S399-Q403 PolarHBondContact O-NE2 2.96Å; S400-Q403 PolarHBondContact O-N 2.77Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; L401-Q403 PolarHBondContact O-N 2.91Å; Q403-L406 PolarHBondContact O-N 3.18Å; Q403-D407 WeakPolarHBondContact O-CB 3.32Å; Q403-D407 PolarHBondContact O-N 3.17Å; Q403-Y410 HydrophobicContact CB-CD2 3.67Å; Q403-Y410 HydrophobicContact CB-CE2 3.7Å; Q403-Y410 HydrophobicContact CG-CD2 4.41Å; Q403-Y410 HydrophobicContact CG-CE2 3.94Å; Q403-Y410 PolarHBondContact OE1-OH 3.02Å; Q403-Y410 VanDerWaalsContact OE1-OH 3.09Å; Q403-L419 HydrophobicContact CB-CD1 3.93Å; Q403-L419 HydrophobicContact CG-CD1 4.43Å; Q403-E423 PolarHBondContact NE2-OE1 2.96Å
404	L	98.7	Very high	97.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-37	173.8	-70.7	165	0	0	0	112.4	S400 L401 Y410 R411 F416 L419 F452 V456 F467	S400-L404 WeakPolarHBondContact O-CG 3.29Å; S400-L404 PolarHBondContact O-N 3.44Å; L401-L404 PolarHBondContact O-N 3.2Å; L404-Y410 WeakPolarHBondContact CD2-O 3.11Å; L404-R411 PolarHBondContact O-NE 3.06Å; L404-R411 PolarHBondContact O-NH2 3.24Å; L404-F416 HydrophobicContact CD1-CD2 4.38Å; L404-F416 HydrophobicContact CD1-CE2 4.04Å; L404-F416 HydrophobicContact CD2-CD2 3.92Å; L404-F416 HydrophobicContact CD2-CE2 4.4Å; L404-L419 HydrophobicContact CD1-CD2 4Å; L404-L419 HydrophobicContact CD2-CD2 3.87Å; L404-L419 HydrophobicContact CG-CD2 3.62Å; L404-F452 HydrophobicContact CD1-CE2 4.03Å; L404-F452 HydrophobicContact CD1-CZ 4.12Å; L404-V456 HydrophobicContact CD1-CG2 3.62Å; L404-F467 HydrophobicContact CD2-CE1 4.24Å
405	M	98.6	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.3	-33.7	177	-72.2	175.9	-165.7	0	0	112.1	L367 V374 L401 V402 R411 L459 V626 L627 P629	L367-M405 HydrophobicContact CD2-CE 3.97Å; V374-M405 HydrophobicContact CG2-CB 3.71Å; V374-M405 HydrophobicContact CG2-CG 4.42Å; V374-M405 HydrophobicContact CG2-SD 3.85Å; L401-M405 HydrophobicContact CB-CE 4.32Å; L401-M405 WeakPolarHBondContact O-CB 3.32Å; L401-M405 VanDerWaalsContact O-CG 3.24Å; L401-M405 WeakPolarHBondContact O-CG 3.33Å; L401-M405 PolarHBondContact O-N 3.04Å; V402-M405 PolarHBondContact O-N 2.8Å; M405-R411 PolarHBondContact O-NH2 3.16Å; M405-L459 HydrophobicContact CE-CD1 4.25Å; M405-L459 HydrophobicContact CE-CD2 4.28Å; M405-L459 HydrophobicContact CG-CD1 4.34Å; M405-V626 CarbonylContact O-C 3.5Å; M405-V626 VanDerWaalsContact O-CA 3.28Å; M405-V626 WeakPolarHBondContact O-CA 3.4Å; M405-L627 VanDerWaalsContact CB-O 3.22Å; M405-L627 WeakPolarHBondContact CB-O 3.41Å; M405-L627 VanDerWaalsContact CG-O 3.26Å; M405-L627 WeakPolarHBondContact CG-O 3.3Å; M405-L627 PolarHBondContact O-N 3.44Å; M405-P629 HydrophobicContact CE-CG 3.63Å; M405-P629 HydrophobicContact SD-CG 4.46Å
406	L	97.8	Very high	97.3	Very high	13 Å²	13	10.2 Å²	10.2	7%	0.068	6%	0.055	C	C	.	.	H	α-helix	trans	-97.9	-33.7	-174.9	-71.7	170	0	0	0	114.9	W271 V374 L377 D378 V402 Q403 V626	W271-L406 HydrophobicContact CE3-CD1 4.31Å; W271-L406 HydrophobicContact CH2-CB 3.68Å; W271-L406 HydrophobicContact CH2-CD1 4.03Å; W271-L406 HydrophobicContact CH2-CG 4.38Å; W271-L406 HydrophobicContact CZ2-CB 4.18Å; W271-L406 HydrophobicContact CZ3-CB 4.07Å; W271-L406 HydrophobicContact CZ3-CD1 3.57Å; W271-L406 HydrophobicContact CZ3-CG 4.4Å; V374-L406 HydrophobicContact CG1-CD2 3.74Å; V374-L406 HydrophobicContact CG1-CG 4.2Å; V374-L406 HydrophobicContact CG2-CD1 4.22Å; V374-L406 HydrophobicContact CG2-CD2 4.48Å; V374-L406 HydrophobicContact CG2-CG 4.03Å; L377-L406 HydrophobicContact CB-CD1 4.2Å; L377-L406 HydrophobicContact CD1-CD1 3.67Å; D378-L406 HydrophobicContact CB-CD2 4.14Å; V402-L406 HydrophobicContact CG1-CD1 3.71Å; V402-L406 WeakPolarHBondContact O-CB 3.33Å; V402-L406 WeakPolarHBondContact O-CG 3.4Å; V402-L406 PolarHBondContact O-N 3.39Å; Q403-L406 PolarHBondContact O-N 3.18Å; L406-V626 HydrophobicContact CD2-CG1 4.03Å; L406-V626 HydrophobicContact CD2-CG2 3.75Å
407	D	97.2	Very high	97.3	Very high	15 Å²	15	10.4 Å²	10.4	8%	0.08	6%	0.056	C	C	.	.			trans	-118.4	109.1	-167.6	-166.7	-16.8	0	0	0	112.1	R218 W271 Q403 H409 Y410	R218-D407 IonicContact CZ-OD2 3.21Å; R218-D407 VanDerWaalsContact CZ-OD2 3.26Å; R218-D407 IonicContact NH1-OD1 2.73Å; R218-D407 PolarHBondContact NH1-OD1 3.41Å; R218-D407 IonicContact NH1-OD2 3.67Å; R218-D407 PolarHBondContact NH1-OD2 3.01Å; R218-D407 IonicContact NH2-OD2 3.82Å; R218-D407 PolarHBondContact NH2-OD2 2.89Å; W271-D407 HydrophobicContact CZ2-CB 3.96Å; W271-D407 PolarHBondContact NE1-OD2 3.4Å; Q403-D407 WeakPolarHBondContact O-CB 3.32Å; Q403-D407 PolarHBondContact O-N 3.17Å; D407-H409 PolarHBondContact O-N 3.36Å; D407-H409 VanDerWaalsContact O-N 3.12Å; D407-H409 WeakPolarHBondContact OD1-CB 3.48Å; D407-H409 PolarHBondContact OD1-N 3.29Å; D407-Y410 HydrophobicContact CB-CD2 3.8Å; D407-Y410 HydrophobicContact CB-CE2 4.14Å; D407-Y410 PolarHBondContact O-N 3.23Å
408	P	95.8	Very high	97.2	Very high	24 Å²	24	10.6 Å²	10.6	16%	0.156	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-63.9	-17.7	179	28.3	-37	0	0	0	113.1	Y410 R411 Q624	P408-Y410 VanDerWaalsContact C-N 3.28Å; P408-Y410 PolarHBondContact O-N 2.81Å; P408-R411 PolarHBondContact O-N 2.99Å; P408-R411 VanDerWaalsContact O-N 3.15Å; P408-Q624 WeakPolarHBondContact CG-O 3.42Å
409	H	95	Very high	97.2	Very high	65 Å²	65	10.6 Å²	10.6	30%	0.301	6%	0.057	S	C	.	.	G	3₁₀ helix	trans	-55.8	-46.2	173.4	175.8	62.8	0	0	0	110.8	R218 D407 R411 S412 G415	R218-H409 VanDerWaalsContact CZ-CD2 3.45Å; D407-H409 PolarHBondContact O-N 3.36Å; D407-H409 VanDerWaalsContact O-N 3.12Å; D407-H409 WeakPolarHBondContact OD1-CB 3.48Å; D407-H409 PolarHBondContact OD1-N 3.29Å; H409-R411 PolarHBondContact O-N 2.89Å; H409-S412 WeakPolarHBondContact O-CB 3.32Å; H409-S412 PolarHBondContact O-N 2.93Å; H409-S412 VanDerWaalsContact O-N 3.14Å; H409-S412 PolarHBondContact O-OG 3.28Å; H409-G415 WeakPolarHBondContact O-CA 3.14Å
410	Y	97.4	Very high	97.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-75	-6.8	-177.9	-58	-52.1	0	0	0	114.2	E215 R218 W271 Q403 L404 D407 P408 S412 G415 F416 L419 K422	E215-Y410 PolarHBondContact OE1-OH 3.48Å; R218-Y410 PolarHBondContact NH2-OH 2.93Å; W271-Y410 AromaticContact CD1-CE2 3.77Å; Q403-Y410 HydrophobicContact CB-CD2 3.67Å; Q403-Y410 HydrophobicContact CB-CE2 3.7Å; Q403-Y410 HydrophobicContact CG-CD2 4.41Å; Q403-Y410 HydrophobicContact CG-CE2 3.94Å; Q403-Y410 PolarHBondContact OE1-OH 3.02Å; Q403-Y410 VanDerWaalsContact OE1-OH 3.09Å; L404-Y410 WeakPolarHBondContact CD2-O 3.11Å; D407-Y410 HydrophobicContact CB-CD2 3.8Å; D407-Y410 HydrophobicContact CB-CE2 4.14Å; D407-Y410 PolarHBondContact O-N 3.23Å; P408-Y410 VanDerWaalsContact C-N 3.28Å; P408-Y410 PolarHBondContact O-N 2.81Å; Y410-S412 VanDerWaalsContact C-N 3.35Å; Y410-G415 WeakPolarHBondContact CD1-O 3.36Å; Y410-F416 WeakPolarHBondContact O-CA 3.1Å; Y410-F416 WeakPolarHBondContact O-CB 3.13Å; Y410-F416 PolarHBondContact O-N 3.42Å; Y410-L419 HydrophobicContact CD1-CB 3.79Å; Y410-L419 HydrophobicContact CD1-CD1 4.29Å; Y410-L419 HydrophobicContact CD2-CD1 4.22Å; Y410-L419 HydrophobicContact CE1-CB 4.26Å; Y410-L419 HydrophobicContact CE1-CD1 4.29Å; Y410-L419 HydrophobicContact CE2-CD1 4.19Å; Y410-L419 HydrophobicContact CG-CB 4.15Å; Y410-L419 HydrophobicContact CG-CD1 4.23Å; Y410-L419 HydrophobicContact CG-CD2 4.3Å; Y410-L419 HydrophobicContact CG-CG 4.47Å; Y410-K422 PolarHBondContact OH-NZ 2.84Å
411	R	97.3	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-86.8	-8.9	171.8	-51.5	-177.7	-162.8	142.6	10.3	113	L404 M405 P408 H409 A466 F467 E468 Q623 G625 L627	L404-R411 PolarHBondContact O-NE 3.06Å; L404-R411 PolarHBondContact O-NH2 3.24Å; M405-R411 PolarHBondContact O-NH2 3.16Å; P408-R411 PolarHBondContact O-N 2.99Å; P408-R411 VanDerWaalsContact O-N 3.15Å; H409-R411 PolarHBondContact O-N 2.89Å; R411-A466 VanDerWaalsContact CB-O 3.24Å; R411-A466 WeakPolarHBondContact CB-O 3.32Å; R411-A466 VanDerWaalsContact CD-O 3.3Å; R411-A466 WeakPolarHBondContact CD-O 3.47Å; R411-F467 HydrophobicContact CB-CD1 3.75Å; R411-F467 HydrophobicContact CB-CE1 4.08Å; R411-F467 HydrophobicContact CB-CG 4.29Å; R411-F467 HydrophobicContact CG-CD1 3.93Å; R411-F467 HydrophobicContact CG-CE1 3.72Å; R411-F467 HydrophobicContact CG-CZ 4.2Å; R411-E468 PolarHBondContact O-N 2.81Å; R411-Q623 PolarHBondContact NH1-O 2.59Å; R411-G625 VanDerWaalsContact CZ-O 3.28Å; R411-G625 PolarHBondContact NH1-O 3.06Å; R411-G625 PolarHBondContact NH2-O 2.72Å; R411-L627 VanDerWaalsContact CZ-CD1 3.4Å; R411-L627 VanDerWaalsContact CZ-CG 3.48Å
412	S	94.9	Very high	97	Very high	19 Å²	19	11 Å²	11	13%	0.133	6%	0.059	C	C	.	.	S	Bend	trans	-74.6	158.6	166.5	71.5	0	0	0	0	110.9	H409 Y410 G415 F416 E468	H409-S412 WeakPolarHBondContact O-CB 3.32Å; H409-S412 PolarHBondContact O-N 2.93Å; H409-S412 VanDerWaalsContact O-N 3.14Å; H409-S412 PolarHBondContact O-OG 3.28Å; Y410-S412 VanDerWaalsContact C-N 3.35Å; S412-G415 PolarHBondContact O-N 3.05Å; S412-G415 WeakPolarHBondContact OG-CA 3.32Å; S412-G415 PolarHBondContact OG-N 2.99Å; S412-F416 VanDerWaalsContact O-CB 3.32Å; S412-F416 WeakPolarHBondContact O-CB 3.38Å; S412-F416 PolarHBondContact O-N 2.68Å; S412-E468 WeakPolarHBondContact CA-OE2 3.46Å; S412-E468 WeakPolarHBondContact CB-OE2 3.49Å
413	L	93.3	Very high	97	Very high	24 Å²	24	11.4 Å²	11.4	13%	0.126	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-53.2	177.3	-167.7	85.5	0	0	0	110.2	G415 F416 Q417 E468 F469 Y473 F538	L413-G415 PolarHBondContact O-N 3.28Å; L413-F416 PolarHBondContact O-N 2.9Å; L413-Q417 VanDerWaalsContact O-CG 3.24Å; L413-Q417 WeakPolarHBondContact O-CG 3.22Å; L413-Q417 PolarHBondContact O-N 3.49Å; L413-E468 PolarHBondContact N-OE2 3.13Å; L413-F469 HydrophobicContact CD1-CB 3.88Å; L413-Y473 HydrophobicContact CD1-CD1 4.24Å; L413-Y473 HydrophobicContact CD1-CD2 3.75Å; L413-Y473 HydrophobicContact CD1-CE1 4.1Å; L413-Y473 HydrophobicContact CD1-CE2 3.58Å; L413-Y473 HydrophobicContact CD1-CG 4.07Å; L413-Y473 HydrophobicContact CG-CE2 4.44Å; L413-F538 HydrophobicContact CD1-CB 4.2Å
414	N	93.3	Very high	96.9	Very high	55 Å²	55	11.4 Å²	11.4	29%	0.294	6%	0.061	S	C	.	.	H	α-helix	trans	-66.3	-38.9	-179.7	-69.4	-12.1	0	0	0	111.8	Q417 S418	N414-Q417 PolarHBondContact O-N 3.17Å; N414-S418 WeakPolarHBondContact O-CB 3.43Å; N414-S418 PolarHBondContact O-N 3.2Å; N414-S418 PolarHBondContact O-OG 2.94Å
415	G	96.1	Very high	96.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-42.4	177	0	0	0	0	0	111.9	H409 Y410 S412 L413 Q417 S418 L419	H409-G415 WeakPolarHBondContact O-CA 3.14Å; Y410-G415 WeakPolarHBondContact CD1-O 3.36Å; S412-G415 PolarHBondContact O-N 3.05Å; S412-G415 WeakPolarHBondContact OG-CA 3.32Å; S412-G415 PolarHBondContact OG-N 2.99Å; L413-G415 PolarHBondContact O-N 3.28Å; G415-Q417 PolarHBondContact O-N 3.46Å; G415-S418 CarbonylContact O-C 3.59Å; G415-S418 WeakPolarHBondContact O-CB 3.28Å; G415-S418 PolarHBondContact O-N 3.41Å; G415-L419 WeakPolarHBondContact O-CB 3.41Å; G415-L419 PolarHBondContact O-N 3.42Å
416	F	98.1	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.8	-173	-101.4	0	0	0	112.1	L404 Y410 S412 L413 S418 L419 V420 F452 L453 V456 F469 Y473 L474 L477	L404-F416 HydrophobicContact CD1-CD2 4.38Å; L404-F416 HydrophobicContact CD1-CE2 4.04Å; L404-F416 HydrophobicContact CD2-CD2 3.92Å; L404-F416 HydrophobicContact CD2-CE2 4.4Å; Y410-F416 WeakPolarHBondContact O-CA 3.1Å; Y410-F416 WeakPolarHBondContact O-CB 3.13Å; Y410-F416 PolarHBondContact O-N 3.42Å; S412-F416 VanDerWaalsContact O-CB 3.32Å; S412-F416 WeakPolarHBondContact O-CB 3.38Å; S412-F416 PolarHBondContact O-N 2.68Å; L413-F416 PolarHBondContact O-N 2.9Å; F416-S418 VanDerWaalsContact C-N 3.32Å; F416-S418 PolarHBondContact O-N 3.28Å; F416-L419 WeakPolarHBondContact O-CB 3.27Å; F416-L419 PolarHBondContact O-N 3.23Å; F416-V420 HydrophobicContact CD1-CG2 4.34Å; F416-V420 HydrophobicContact CE1-CG2 3.99Å; F416-V420 HydrophobicContact CZ-CG2 4.18Å; F416-V420 WeakPolarHBondContact O-CG2 3.43Å; F416-V420 PolarHBondContact O-N 2.89Å; F416-F452 HydrophobicContact CE2-CE1 4.11Å; F416-F452 AromaticContact CE2-CZ 3.81Å; F416-F452 HydrophobicContact CE2-CZ 3.81Å; F416-F452 AromaticContact CZ-CE1 3.82Å; F416-F452 HydrophobicContact CZ-CE1 3.82Å; F416-F452 HydrophobicContact CZ-CZ 4.02Å; F416-L453 HydrophobicContact CE1-CD2 4.36Å; F416-L453 HydrophobicContact CZ-CD2 3.99Å; F416-V456 HydrophobicContact CE2-CG1 3.93Å; F416-V456 HydrophobicContact CE2-CG2 3.95Å; F416-V456 HydrophobicContact CZ-CG1 4.28Å; F416-V456 HydrophobicContact CZ-CG2 4.3Å; F416-F469 HydrophobicContact CB-CD1 4.13Å; F416-F469 HydrophobicContact CB-CE1 3.65Å; F416-F469 HydrophobicContact CB-CZ 4.43Å; F416-F469 HydrophobicContact CD1-CE1 4.38Å; F416-F469 AromaticContact CD2-CE1 3.82Å; F416-F469 HydrophobicContact CD2-CE1 3.82Å; F416-F469 AromaticContact CD2-CZ 3.76Å; F416-F469 HydrophobicContact CD2-CZ 3.76Å; F416-F469 HydrophobicContact CE2-CZ 4.11Å; F416-F469 HydrophobicContact CG-CD1 4.37Å; F416-F469 AromaticContact CG-CE1 3.68Å; F416-F469 HydrophobicContact CG-CE1 3.68Å; F416-F469 AromaticContact CG-CZ 3.98Å; F416-F469 HydrophobicContact CG-CZ 3.98Å; F416-Y473 AromaticContact CD1-CE1 3.75Å; F416-Y473 HydrophobicContact CD1-CE1 3.75Å; F416-Y473 HydrophobicContact CE1-CE1 4.12Å; F416-L474 HydrophobicContact CE1-CD2 4.04Å; F416-L474 HydrophobicContact CZ-CD2 3.97Å; F416-L477 HydrophobicContact CD1-CD2 4.47Å; F416-L477 HydrophobicContact CE1-CD2 3.69Å
417	Q	97.5	Very high	96.6	Very high	4 Å²	4	13 Å²	13	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-44.5	172.5	-63.9	175.5	18.9	0	0	111.5	T203 L413 N414 G415 L419 V420 Q421 Y473 W524 W526	T203-Q417 HydrophobicContact CG2-CB 3.57Å; T203-Q417 PolarHBondContact OG1-OE1 2.71Å; L413-Q417 VanDerWaalsContact O-CG 3.24Å; L413-Q417 WeakPolarHBondContact O-CG 3.22Å; L413-Q417 PolarHBondContact O-N 3.49Å; N414-Q417 PolarHBondContact O-N 3.17Å; G415-Q417 PolarHBondContact O-N 3.46Å; Q417-L419 VanDerWaalsContact C-N 3.31Å; Q417-L419 PolarHBondContact O-N 3.15Å; Q417-V420 PolarHBondContact O-N 2.95Å; Q417-Q421 VanDerWaalsContact O-CB 3.3Å; Q417-Q421 WeakPolarHBondContact O-CB 3.45Å; Q417-Q421 PolarHBondContact O-N 3.06Å; Q417-Y473 WeakPolarHBondContact CG-OH 3.47Å; Q417-W524 HydrophobicContact CB-CD2 3.82Å; Q417-W524 HydrophobicContact CB-CE3 3.76Å; Q417-W524 HydrophobicContact CB-CG 4.4Å; Q417-W524 HydrophobicContact CB-CH2 4.26Å; Q417-W524 HydrophobicContact CB-CZ2 4.32Å; Q417-W524 HydrophobicContact CB-CZ3 3.98Å; Q417-W524 HydrophobicContact CG-CD2 3.92Å; Q417-W524 HydrophobicContact CG-CE3 3.37Å; Q417-W524 HydrophobicContact CG-CH2 4.36Å; Q417-W524 HydrophobicContact CG-CZ3 3.63Å; Q417-W524 WeakPolarHBondContact O-CZ2 3.45Å; Q417-W526 VanDerWaalsContact NE2-NE1 3.16Å
418	S	96.8	Very high	96.6	Very high	4 Å²	4	12.3 Å²	12.3	3%	0.028	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-39.6	176.8	-51.4	0	0	0	0	111.8	P204 F206 N414 G415 F416 Q421 K422	P204-S418 WeakPolarHBondContact CD-OG 3.43Å; F206-S418 WeakPolarHBondContact CE2-O 3.36Å; N414-S418 WeakPolarHBondContact O-CB 3.43Å; N414-S418 PolarHBondContact O-N 3.2Å; N414-S418 PolarHBondContact O-OG 2.94Å; G415-S418 CarbonylContact O-C 3.59Å; G415-S418 WeakPolarHBondContact O-CB 3.28Å; G415-S418 PolarHBondContact O-N 3.41Å; F416-S418 VanDerWaalsContact C-N 3.32Å; F416-S418 PolarHBondContact O-N 3.28Å; S418-Q421 PolarHBondContact O-N 3.02Å; S418-K422 VanDerWaalsContact O-CB 3.3Å; S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 PolarHBondContact O-N 3.38Å
419	L	98.6	Very high	96.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-49.6	177.6	-179.3	67.2	0	0	0	111	Q403 L404 Y410 G415 F416 Q417 Q421 K422 E423	Q403-L419 HydrophobicContact CB-CD1 3.93Å; Q403-L419 HydrophobicContact CG-CD1 4.43Å; L404-L419 HydrophobicContact CD1-CD2 4Å; L404-L419 HydrophobicContact CD2-CD2 3.87Å; L404-L419 HydrophobicContact CG-CD2 3.62Å; Y410-L419 HydrophobicContact CD1-CB 3.79Å; Y410-L419 HydrophobicContact CD1-CD1 4.29Å; Y410-L419 HydrophobicContact CD2-CD1 4.22Å; Y410-L419 HydrophobicContact CE1-CB 4.26Å; Y410-L419 HydrophobicContact CE1-CD1 4.29Å; Y410-L419 HydrophobicContact CE2-CD1 4.19Å; Y410-L419 HydrophobicContact CG-CB 4.15Å; Y410-L419 HydrophobicContact CG-CD1 4.23Å; Y410-L419 HydrophobicContact CG-CD2 4.3Å; Y410-L419 HydrophobicContact CG-CG 4.47Å; G415-L419 WeakPolarHBondContact O-CB 3.41Å; G415-L419 PolarHBondContact O-N 3.42Å; F416-L419 WeakPolarHBondContact O-CB 3.27Å; F416-L419 PolarHBondContact O-N 3.23Å; Q417-L419 VanDerWaalsContact C-N 3.31Å; Q417-L419 PolarHBondContact O-N 3.15Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 PolarHBondContact O-N 3.37Å; L419-K422 PolarHBondContact O-N 3.5Å; L419-E423 HydrophobicContact CD1-CG 3.69Å; L419-E423 WeakPolarHBondContact O-CB 3.33Å; L419-E423 PolarHBondContact O-N 3.26Å
420	V	98.6	Very high	96.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60	-45.3	176.6	173.6	0	0	0	0	110.3	F416 Q417 K422 W424 V425 F449 F452 F489 W524	F416-V420 HydrophobicContact CD1-CG2 4.34Å; F416-V420 HydrophobicContact CE1-CG2 3.99Å; F416-V420 HydrophobicContact CZ-CG2 4.18Å; F416-V420 WeakPolarHBondContact O-CG2 3.43Å; F416-V420 PolarHBondContact O-N 2.89Å; Q417-V420 PolarHBondContact O-N 2.95Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.08Å; V420-W424 HydrophobicContact CG1-CB 4.44Å; V420-W424 VanDerWaalsContact O-CB 3.24Å; V420-W424 WeakPolarHBondContact O-CB 3.44Å; V420-W424 PolarHBondContact O-N 3.16Å; V420-W424 VanDerWaalsContact O-N 3.07Å; V420-V425 PolarHBondContact O-N 2.82Å; V420-F449 HydrophobicContact CG1-CE2 3.79Å; V420-F449 HydrophobicContact CG1-CZ 3.81Å; V420-F449 HydrophobicContact CG2-CE2 4.17Å; V420-F449 HydrophobicContact CG2-CZ 4.2Å; V420-F452 HydrophobicContact CG2-CE1 4.17Å; V420-F489 HydrophobicContact CG1-CE1 4Å; V420-F489 HydrophobicContact CG1-CZ 4.29Å; V420-W524 HydrophobicContact CB-CH2 3.85Å; V420-W524 HydrophobicContact CB-CZ2 4.02Å; V420-W524 HydrophobicContact CG1-CH2 3.79Å; V420-W524 HydrophobicContact CG1-CZ2 3.92Å; V420-W524 HydrophobicContact CG2-CH2 4.48Å
421	Q	97.6	Very high	96.7	Very high	5 Å²	5	9.6 Å²	9.6	2%	0.023	5%	0.052	C	C	.	.	I	π-helix	trans	-59.2	-43.4	177.8	-171.9	60.9	46.7	0	0	112	M205 F206 Q417 S418 L419 V425 M426	M205-Q421 VanDerWaalsContact CE-CD 3.49Å; M205-Q421 HydrophobicContact CE-CG 4.26Å; M205-Q421 WeakPolarHBondContact O-CG 3.32Å; M205-Q421 PolarHBondContact O-NE2 2.94Å; M205-Q421 HydrophobicContact SD-CG 4.4Å; F206-Q421 HydrophobicContact CD2-CG 4.4Å; Q417-Q421 VanDerWaalsContact O-CB 3.3Å; Q417-Q421 WeakPolarHBondContact O-CB 3.45Å; Q417-Q421 PolarHBondContact O-N 3.06Å; S418-Q421 PolarHBondContact O-N 3.02Å; L419-Q421 VanDerWaalsContact C-N 3.31Å; L419-Q421 PolarHBondContact O-N 3.37Å; Q421-V425 WeakPolarHBondContact O-CB 3.24Å; Q421-V425 PolarHBondContact O-N 3.18Å; Q421-M426 WeakPolarHBondContact O-CG 3.37Å; Q421-M426 PolarHBondContact O-N 3.2Å
422	K	97.4	Very high	96.6	Very high	4 Å²	4	10 Å²	10	2%	0.017	5%	0.054	C	C	.	.	I	π-helix	trans	-72.8	-57.7	-179.6	-170.7	-176.2	64.2	167.5	0	113	F206 W212 E215 C270 Y410 S418 L419 V420 A427	F206-K422 HydrophobicContact CD1-CD 4.39Å; F206-K422 HydrophobicContact CD1-CG 4.21Å; F206-K422 HydrophobicContact CD2-CB 3.78Å; F206-K422 HydrophobicContact CD2-CG 4.31Å; F206-K422 HydrophobicContact CE1-CD 3.91Å; F206-K422 HydrophobicContact CE1-CG 4.2Å; F206-K422 HydrophobicContact CE2-CB 3.72Å; F206-K422 HydrophobicContact CE2-CD 4.42Å; F206-K422 HydrophobicContact CE2-CG 4.29Å; F206-K422 HydrophobicContact CG-CB 4.2Å; F206-K422 HydrophobicContact CG-CG 4.27Å; F206-K422 HydrophobicContact CZ-CB 4.11Å; F206-K422 HydrophobicContact CZ-CD 3.93Å; F206-K422 HydrophobicContact CZ-CG 4.23Å; W212-K422 HydrophobicContact CH2-CD 4.37Å; W212-K422 HydrophobicContact CH2-CG 3.76Å; W212-K422 HydrophobicContact CZ3-CD 3.97Å; W212-K422 HydrophobicContact CZ3-CG 3.88Å; E215-K422 IonicContact OE1-NZ 3.26Å; C270-K422 PolarHBondContact O-NZ 2.7Å; Y410-K422 PolarHBondContact OH-NZ 2.84Å; S418-K422 VanDerWaalsContact O-CB 3.3Å; S418-K422 WeakPolarHBondContact O-CB 3.48Å; S418-K422 PolarHBondContact O-N 3.38Å; L419-K422 PolarHBondContact O-N 3.5Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.08Å; K422-A427 PolarHBondContact O-N 3.44Å
423	E	98.1	Very high	96.6	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.033	6%	0.056	C	C	.	.	I	π-helix	trans	-83.7	-16	-167.8	-67.7	-64.6	155.4	0	0	114.1	C270 R281 C396 S399 S400 Q403 L419 A427	C270-E423 WeakPolarHBondContact CB-OE1 3.47Å; C270-E423 PolarHBondContact SG-OE1 3.34Å; C270-E423 PolarHBondContact SG-OE2 3.16Å; R281-E423 WeakPolarHBondContact CD-OE2 3.02Å; R281-E423 PolarHBondContact NH1-O 3.02Å; R281-E423 IonicContact NH1-OE2 3.86Å; R281-E423 PolarHBondContact NH1-OE2 3.42Å; R281-E423 VanDerWaalsContact NH1-OE2 3.15Å; C396-E423 PolarHBondContact SG-O 3.07Å; S399-E423 WeakPolarHBondContact CB-OE2 3.37Å; S399-E423 PolarHBondContact OG-OE2 3.15Å; S400-E423 WeakPolarHBondContact OG-CB 3.33Å; Q403-E423 PolarHBondContact NE2-OE1 2.96Å; L419-E423 HydrophobicContact CD1-CG 3.69Å; L419-E423 WeakPolarHBondContact O-CB 3.33Å; L419-E423 PolarHBondContact O-N 3.26Å; E423-A427 VanDerWaalsContact O-CB 3.24Å; E423-A427 WeakPolarHBondContact O-CB 3.26Å
424	W	98.2	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-115.2	-58.7	180	-62.7	73	0	0	0	111.7	C396 V397 S400 V420 G428 H429 F431 L448 F449 F452	C396-W424 HydrophobicContact CB-CD2 3.77Å; C396-W424 HydrophobicContact CB-CE3 3.91Å; C396-W424 HydrophobicContact CB-CG 4.35Å; C396-W424 HydrophobicContact CB-CH2 4.09Å; C396-W424 HydrophobicContact CB-CZ2 3.92Å; C396-W424 HydrophobicContact CB-CZ3 4.07Å; V397-W424 HydrophobicContact CB-CZ2 4.48Å; V397-W424 HydrophobicContact CG2-CH2 3.64Å; V397-W424 HydrophobicContact CG2-CZ2 3.95Å; S400-W424 PolarHBondContact OG-NE1 3.44Å; V420-W424 HydrophobicContact CG1-CB 4.44Å; V420-W424 VanDerWaalsContact O-CB 3.24Å; V420-W424 WeakPolarHBondContact O-CB 3.44Å; V420-W424 PolarHBondContact O-N 3.16Å; V420-W424 VanDerWaalsContact O-N 3.07Å; W424-G428 PolarHBondContact O-N 3.13Å; W424-H429 HydrophobicContact CB-CB 4.37Å; W424-H429 HydrophobicContact CE3-CB 4.08Å; W424-H429 AromaticContact CE3-CD2 3.68Å; W424-H429 AromaticContact CE3-CG 3.65Å; W424-H429 AromaticContact CZ3-CD2 3.97Å; W424-H429 AromaticContact CZ3-CE1 3.88Å; W424-H429 AromaticContact CZ3-NE2 3.87Å; W424-H429 VanDerWaalsContact O-CB 3.22Å; W424-H429 WeakPolarHBondContact O-CB 3.46Å; W424-H429 PolarHBondContact O-N 3.45Å; W424-F431 HydrophobicContact CB-CE2 3.92Å; W424-F431 HydrophobicContact CB-CZ 3.92Å; W424-F431 HydrophobicContact CD2-CZ 4.5Å; W424-F431 HydrophobicContact CE3-CZ 4.01Å; W424-L448 HydrophobicContact CZ3-CB 4.49Å; W424-F449 AromaticContact CD2-CD2 3.64Å; W424-F449 HydrophobicContact CD2-CD2 3.64Å; W424-F449 HydrophobicContact CD2-CE2 4.01Å; W424-F449 AromaticContact CE2-CD2 3.88Å; W424-F449 HydrophobicContact CE3-CB 4.42Å; W424-F449 AromaticContact CE3-CD2 3.58Å; W424-F449 HydrophobicContact CE3-CD2 3.58Å; W424-F449 HydrophobicContact CE3-CE2 4.36Å; W424-F449 HydrophobicContact CE3-CG 4.45Å; W424-F449 HydrophobicContact CG-CD2 4.3Å; W424-F449 HydrophobicContact CG-CE2 4.23Å; W424-F449 HydrophobicContact CH2-CB 4.33Å; W424-F449 AromaticContact CH2-CD2 3.96Å; W424-F449 HydrophobicContact CH2-CD2 3.96Å; W424-F449 HydrophobicContact CZ2-CD2 4.06Å; W424-F449 HydrophobicContact CZ3-CB 3.94Å; W424-F449 AromaticContact CZ3-CD2 3.74Å; W424-F449 HydrophobicContact CZ3-CD2 3.74Å; W424-F449 HydrophobicContact CZ3-CG 4.35Å; W424-F452 HydrophobicContact CH2-CB 3.77Å; W424-F452 HydrophobicContact CH2-CG 4.26Å; W424-F452 HydrophobicContact CZ2-CB 3.46Å; W424-F452 VanDerWaalsContact CZ2-CB 3.46Å; W424-F452 AromaticContact CZ2-CD1 3.75Å; W424-F452 HydrophobicContact CZ2-CD1 3.75Å; W424-F452 HydrophobicContact CZ2-CD2 4.05Å; W424-F452 AromaticContact CZ2-CG 3.46Å; W424-F452 HydrophobicContact CZ2-CG 3.46Å; W424-F452 VanDerWaalsContact CZ2-CG 3.46Å
425	V	97	Very high	96.8	Very high	28 Å²	28	7.4 Å²	7.4	17%	0.17	4%	0.039	C	C	.	.	I	π-helix	trans	-72.3	-55.1	-172.6	-173	0	0	0	0	110.8	V420 Q421 G428 F431 T488	V420-V425 PolarHBondContact O-N 2.82Å; Q421-V425 WeakPolarHBondContact O-CB 3.24Å; Q421-V425 PolarHBondContact O-N 3.18Å; V425-G428 PolarHBondContact O-N 2.83Å; V425-G428 VanDerWaalsContact O-N 3.16Å; V425-F431 HydrophobicContact CG2-CE2 4.25Å; V425-T488 HydrophobicContact CG2-CG2 3.72Å; V425-T488 WeakPolarHBondContact CG2-O 3.38Å
426	M	95.7	Very high	96.7	Very high	12 Å²	12	7.7 Å²	7.7	6%	0.059	4%	0.04	C	C	.	.	I	π-helix	trans	-73.5	-32	-178.7	-63	-44.8	-65.9	0	0	112.7	M205 F206 D207 P240 Q421 G428	M205-M426 WeakPolarHBondContact O-CG 3.5Å; F206-M426 HydrophobicContact CB-CB 4.44Å; F206-M426 HydrophobicContact CB-CG 3.69Å; F206-M426 WeakPolarHBondContact O-CE 3.5Å; D207-M426 HydrophobicContact CB-CE 4.37Å; P240-M426 HydrophobicContact CB-CB 4.42Å; P240-M426 HydrophobicContact CB-CE 3.63Å; P240-M426 WeakPolarHBondContact CD-O 3.3Å; P240-M426 WeakPolarHBondContact CG-O 3.4Å; Q421-M426 WeakPolarHBondContact O-CG 3.37Å; Q421-M426 PolarHBondContact O-N 3.2Å; M426-G428 PolarHBondContact O-N 3.45Å; M426-G428 VanDerWaalsContact O-N 3.17Å
427	A	95.5	Very high	96.3	Very high	7 Å²	7	7.9 Å²	7.9	6%	0.058	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13	171.1	0	0	0	0	0	113.3	R265 K422 E423	R265-A427 PolarHBondContact NH1-O 3.39Å; R265-A427 PolarHBondContact NH2-O 3.21Å; K422-A427 PolarHBondContact O-N 3.44Å; E423-A427 VanDerWaalsContact O-CB 3.24Å; E423-A427 WeakPolarHBondContact O-CB 3.26Å
428	G	96.5	Very high	95.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	33.7	174.6	0	0	0	0	0	114	R392 W424 V425 M426 R430 N492	R392-G428 PolarHBondContact NE-O 3.18Å; R392-G428 PolarHBondContact NH2-O 3.14Å; W424-G428 PolarHBondContact O-N 3.13Å; V425-G428 PolarHBondContact O-N 2.83Å; V425-G428 VanDerWaalsContact O-N 3.16Å; M426-G428 PolarHBondContact O-N 3.45Å; M426-G428 VanDerWaalsContact O-N 3.17Å; G428-R430 PolarHBondContact O-N 3.35Å; G428-N492 CarbonylContact C-O 3.57Å
429	H	97.6	Very high	95.4	Very high	3 Å²	3	10.3 Å²	10.3	1%	0.014	5%	0.052	C	C	.	.			trans	-56.3	138.4	170.4	-178.1	66.7	0	0	0	110.6	R392 D393 W424 F431	R392-H429 PolarHBondContact O-ND1 3.17Å; D393-H429 IonicContact OD1-CE1 3.34Å; D393-H429 PolarHBondContact OD1-CE1 3.15Å; D393-H429 IonicContact OD1-ND1 3.69Å; D393-H429 PolarHBondContact OD1-ND1 2.81Å; W424-H429 HydrophobicContact CB-CB 4.37Å; W424-H429 HydrophobicContact CE3-CB 4.08Å; W424-H429 AromaticContact CE3-CD2 3.68Å; W424-H429 AromaticContact CE3-CG 3.65Å; W424-H429 AromaticContact CZ3-CD2 3.97Å; W424-H429 AromaticContact CZ3-CE1 3.88Å; W424-H429 AromaticContact CZ3-NE2 3.87Å; W424-H429 VanDerWaalsContact O-CB 3.22Å; W424-H429 WeakPolarHBondContact O-CB 3.46Å; W424-H429 PolarHBondContact O-N 3.45Å; H429-F431 HydrophobicContact CB-CD2 4.27Å; H429-F431 HydrophobicContact CB-CE2 4.05Å; H429-F431 AromaticContact CD2-CD1 3.74Å; H429-F431 AromaticContact CD2-CD2 3.75Å; H429-F431 AromaticContact CD2-CE1 3.7Å; H429-F431 AromaticContact CD2-CE2 3.72Å; H429-F431 AromaticContact CD2-CG 3.75Å; H429-F431 AromaticContact CD2-CZ 3.69Å; H429-F431 PolarHBondContact O-N 3.12Å
430	R	96.4	Very high	94.7	Very high	27 Å²	27	16.7 Å²	16.7	10%	0.102	8%	0.08	C	C	.	.			trans	-80.8	56.7	-170.8	-66	-178.8	-77.4	-162.1	-10.9	112.7	E390 R392 D393 G428 L432 D433 R434 N492	E390-R430 IonicContact OE1-CZ 3.92Å; E390-R430 IonicContact OE1-NH1 3.15Å; E390-R430 PolarHBondContact OE1-NH1 2.94Å; E390-R430 IonicContact OE1-NH2 3.52Å; E390-R430 PolarHBondContact OE1-NH2 3.18Å; E390-R430 IonicContact OE2-CZ 2.8Å; E390-R430 IonicContact OE2-NE 3.35Å; E390-R430 IonicContact OE2-NH1 2.81Å; E390-R430 PolarHBondContact OE2-NH1 2.83Å; E390-R430 IonicContact OE2-NH2 2.9Å; E390-R430 PolarHBondContact OE2-NH2 2.72Å; R392-R430 VanDerWaalsContact CZ-CG 3.45Å; D393-R430 IonicContact OD2-CZ 3.55Å; D393-R430 IonicContact OD2-NE 3.55Å; D393-R430 IonicContact OD2-NH2 3.46Å; D393-R430 PolarHBondContact OD2-NH2 3.2Å; G428-R430 PolarHBondContact O-N 3.35Å; R430-L432 VanDerWaalsContact C-N 3.28Å; R430-L432 PolarHBondContact O-N 2.76Å; R430-D433 HydrophobicContact CB-CB 4.19Å; R430-D433 PolarHBondContact O-N 3.46Å; R430-D433 VanDerWaalsContact O-N 3.14Å; R430-R434 HydrophobicContact CB-CG 4.13Å; R430-R434 VanDerWaalsContact O-CB 3.27Å; R430-R434 WeakPolarHBondContact O-CB 3.17Å; R430-R434 WeakPolarHBondContact O-CG 3.37Å; R430-R434 PolarHBondContact O-N 2.78Å; R430-N492 WeakPolarHBondContact CA-OD1 3.47Å; R430-N492 HydrophobicContact CB-CB 4.45Å; R430-N492 WeakPolarHBondContact CB-OD1 3.22Å; R430-N492 HydrophobicContact CG-CB 4.38Å; R430-N492 PolarHBondContact O-OD1 2.99Å
431	F	96.9	Very high	94	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-54.6	-41.4	-173.7	-79.4	-75	0	0	0	113.3	W424 V425 H429 D433 R434 C435 F449 F489	W424-F431 HydrophobicContact CB-CE2 3.92Å; W424-F431 HydrophobicContact CB-CZ 3.92Å; W424-F431 HydrophobicContact CD2-CZ 4.5Å; W424-F431 HydrophobicContact CE3-CZ 4.01Å; V425-F431 HydrophobicContact CG2-CE2 4.25Å; H429-F431 HydrophobicContact CB-CD2 4.27Å; H429-F431 HydrophobicContact CB-CE2 4.05Å; H429-F431 AromaticContact CD2-CD1 3.74Å; H429-F431 AromaticContact CD2-CD2 3.75Å; H429-F431 AromaticContact CD2-CE1 3.7Å; H429-F431 AromaticContact CD2-CE2 3.72Å; H429-F431 AromaticContact CD2-CG 3.75Å; H429-F431 AromaticContact CD2-CZ 3.69Å; H429-F431 PolarHBondContact O-N 3.12Å; F431-D433 PolarHBondContact O-N 2.9Å; F431-R434 PolarHBondContact O-N 2.77Å; F431-C435 WeakPolarHBondContact O-CB 3.42Å; F431-C435 PolarHBondContact O-N 2.67Å; F431-C435 PolarHBondContact O-SG 2.95Å; F431-F449 HydrophobicContact CE1-CB 3.97Å; F431-F449 HydrophobicContact CE1-CD1 4.26Å; F431-F449 HydrophobicContact CE1-CD2 4.02Å; F431-F449 AromaticContact CE1-CG 3.82Å; F431-F449 HydrophobicContact CE1-CG 3.82Å; F431-F449 AromaticContact CZ-CD2 4Å; F431-F449 HydrophobicContact CZ-CD2 4Å; F431-F449 HydrophobicContact CZ-CE2 4.32Å; F431-F449 HydrophobicContact CZ-CG 4.28Å; F431-F489 WeakPolarHBondContact CB-O 3.48Å; F431-F489 HydrophobicContact CD1-CB 4.08Å; F431-F489 AromaticContact CD1-CD1 3.77Å; F431-F489 HydrophobicContact CD1-CD1 3.77Å; F431-F489 HydrophobicContact CD1-CG 4.3Å; F431-F489 HydrophobicContact CD2-CD1 4.19Å; F431-F489 AromaticContact CE1-CD1 3.38Å; F431-F489 HydrophobicContact CE1-CD1 3.38Å; F431-F489 AromaticContact CE1-CE1 3.88Å; F431-F489 HydrophobicContact CE1-CE1 3.88Å; F431-F489 HydrophobicContact CE1-CG 4.25Å; F431-F489 AromaticContact CE2-CD1 3.84Å; F431-F489 HydrophobicContact CE2-CD1 3.84Å; F431-F489 HydrophobicContact CE2-CE1 4.31Å; F431-F489 HydrophobicContact CG-CB 4.27Å; F431-F489 HydrophobicContact CG-CD1 4.17Å; F431-F489 AromaticContact CZ-CD1 3.42Å; F431-F489 HydrophobicContact CZ-CD1 3.42Å; F431-F489 VanDerWaalsContact CZ-CD1 3.42Å; F431-F489 AromaticContact CZ-CE1 3.67Å; F431-F489 HydrophobicContact CZ-CE1 3.67Å
432	L	94.8	Very high	93.4	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-60.8	-45.7	179.7	179.5	62.1	0	0	0	112.3	L171 R430 N436 H437 L438 N492	L171-L432 HydrophobicContact CD1-CD1 3.36Å; L171-L432 HydrophobicContact CD1-CD2 3.83Å; L171-L432 HydrophobicContact CD1-CG 4.23Å; R430-L432 VanDerWaalsContact C-N 3.28Å; R430-L432 PolarHBondContact O-N 2.76Å; L432-N436 PolarHBondContact O-N 2.84Å; L432-H437 HydrophobicContact CD1-CB 3.95Å; L432-H437 PolarHBondContact O-N 3.02Å; L432-L438 HydrophobicContact CD1-CD1 4.44Å; L432-L438 HydrophobicContact CD1-CG 4.07Å; L432-L438 HydrophobicContact CD2-CD1 4.31Å; L432-N492 WeakPolarHBondContact CB-OD1 3.39Å; L432-N492 PolarHBondContact N-OD1 3.06Å; L432-N492 VanDerWaalsContact N-OD1 3.13Å
433	D	95.2	Very high	93.1	Very high	35 Å²	35	30 Å²	30	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-72.7	-43.8	179.5	-72.9	12	0	0	0	110.9	R430 F431 N436 K444 N492	R430-D433 HydrophobicContact CB-CB 4.19Å; R430-D433 PolarHBondContact O-N 3.46Å; R430-D433 VanDerWaalsContact O-N 3.14Å; F431-D433 PolarHBondContact O-N 2.9Å; D433-N436 WeakPolarHBondContact O-CA 3.38Å; D433-N436 PolarHBondContact O-N 3.37Å; D433-N436 VanDerWaalsContact O-N 3.12Å; D433-K444 HydrophobicContact CB-CB 4.3Å; D433-K444 HydrophobicContact CB-CD 4.24Å; D433-K444 WeakPolarHBondContact OD2-CD 3.31Å; D433-K444 IonicContact OD2-NZ 2.71Å; D433-K444 PolarHBondContact OD2-NZ 2.86Å; D433-N492 VanDerWaalsContact CG-ND2 3.28Å; D433-N492 PolarHBondContact N-OD1 3.19Å; D433-N492 VanDerWaalsContact N-OD1 3.12Å; D433-N492 PolarHBondContact OD1-ND2 3.1Å
434	R	96.6	Very high	92.8	Very high	6 Å²	6	33.5 Å²	33.5	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-71.2	-36.8	-175.4	-66.4	-74.6	175.6	-95	5.5	113	I324 D393 R430 F431 N436 K444 E445 S446	I324-R434 VanDerWaalsContact CD1-NH2 3.28Å; D393-R434 IonicContact OD1-CZ 3.73Å; D393-R434 IonicContact OD1-NE 3Å; D393-R434 PolarHBondContact OD1-NE 3.3Å; D393-R434 IonicContact OD1-NH2 3.74Å; D393-R434 PolarHBondContact OD1-NH2 3.4Å; D393-R434 IonicContact OD2-CZ 3.25Å; D393-R434 IonicContact OD2-NE 2.79Å; D393-R434 IonicContact OD2-NH2 3.73Å; D393-R434 PolarHBondContact OD2-NH2 2.9Å; R430-R434 HydrophobicContact CB-CG 4.13Å; R430-R434 VanDerWaalsContact O-CB 3.27Å; R430-R434 WeakPolarHBondContact O-CB 3.17Å; R430-R434 WeakPolarHBondContact O-CG 3.37Å; R430-R434 PolarHBondContact O-N 2.78Å; F431-R434 PolarHBondContact O-N 2.77Å; R434-N436 VanDerWaalsContact C-N 3.26Å; R434-K444 WeakPolarHBondContact CD-O 3.4Å; R434-K444 PolarHBondContact NH1-O 2.91Å; R434-E445 WeakPolarHBondContact O-CG 3.34Å; R434-S446 PolarHBondContact O-N 2.96Å; R434-S446 VanDerWaalsContact O-N 3.12Å
435	C	94.6	Very high	92.6	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.02	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.2	171.9	-58	0	0	0	0	112.2	K138 F431 H437 M481 W482	K138-C435 PolarHBondContact NZ-O 2.81Å; F431-C435 WeakPolarHBondContact O-CB 3.42Å; F431-C435 PolarHBondContact O-N 2.67Å; F431-C435 PolarHBondContact O-SG 2.95Å; C435-H437 VanDerWaalsContact C-N 3.27Å; C435-H437 WeakPolarHBondContact CB-CE1 3.49Å; C435-H437 WeakPolarHBondContact CB-NE2 3.19Å; C435-H437 PolarHBondContact O-N 3.29Å; C435-M481 WeakPolarHBondContact SG-CE 3.48Å; C435-W482 HydrophobicContact CB-CH2 4.37Å; C435-W482 HydrophobicContact CB-CZ3 3.76Å
436	N	93.4	Very high	92.6	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.032	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.8	177.9	-165.6	21.7	0	0	0	112.8	L432 D433 R434 L438 K439 K440 D442 E445	L432-N436 PolarHBondContact O-N 2.84Å; D433-N436 WeakPolarHBondContact O-CA 3.38Å; D433-N436 PolarHBondContact O-N 3.37Å; D433-N436 VanDerWaalsContact O-N 3.12Å; R434-N436 VanDerWaalsContact C-N 3.26Å; N436-L438 PolarHBondContact O-N 2.86Å; N436-K439 PolarHBondContact O-N 3.44Å; N436-K439 VanDerWaalsContact O-N 3.12Å; N436-K439 WeakPolarHBondContact OD1-CA 3.25Å; N436-K439 PolarHBondContact OD1-N 2.89Å; N436-K440 PolarHBondContact OD1-N 3.33Å; N436-D442 PolarHBondContact ND2-OD1 2.93Å; N436-E445 HydrophobicContact CB-CB 3.99Å; N436-E445 HydrophobicContact CB-CG 3.92Å; N436-E445 WeakPolarHBondContact CB-OE2 3.45Å; N436-E445 PolarHBondContact ND2-OE2 2.75Å
437	H	90.4	Very high	92.7	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.3	-176.6	-65	-45.5	0	0	0	113.4	T102 L432 C435 M481 W482	T102-H437 HydrophobicContact CG2-CB 4.49Å; L432-H437 HydrophobicContact CD1-CB 3.95Å; L432-H437 PolarHBondContact O-N 3.02Å; C435-H437 VanDerWaalsContact C-N 3.27Å; C435-H437 WeakPolarHBondContact CB-CE1 3.49Å; C435-H437 WeakPolarHBondContact CB-NE2 3.19Å; C435-H437 PolarHBondContact O-N 3.29Å; H437-M481 PolarHBondContact CE1-O 2.9Å; H437-M481 PolarHBondContact NE2-O 3.04Å; H437-W482 AromaticContact CE1-CE3 3.9Å
438	L	89.1	Confident	92.8	Very high	22 Å²	22	33 Å²	33	12%	0.115	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.6	176.9	-56.4	-175.7	0	0	0	113.1	P168 L171 L432 N436 K440	P168-L438 HydrophobicContact CG-CD2 4.03Å; L171-L438 HydrophobicContact CD1-CD2 4.15Å; L432-L438 HydrophobicContact CD1-CD1 4.44Å; L432-L438 HydrophobicContact CD1-CG 4.07Å; L432-L438 HydrophobicContact CD2-CD1 4.31Å; N436-L438 PolarHBondContact O-N 2.86Å; L438-K440 HydrophobicContact CB-CD 4.02Å; L438-K440 HydrophobicContact CB-CG 3.84Å; L438-K440 HydrophobicContact CD1-CD 4.1Å; L438-K440 PolarHBondContact O-N 2.92Å; L438-K440 VanDerWaalsContact O-N 3.09Å
439	K	85.9	Confident	92.9	Very high	37 Å²	37	33.1 Å²	33.1	16%	0.161	16%	0.163	C	C	.	.			trans	51.4	35.9	179.8	-63.1	-77.2	-175.6	168.3	0	113.4	D105 H167 N436	D105-K439 PolarHBondContact O-NZ 3.44Å; D105-K439 IonicContact OD1-NZ 3.73Å; D105-K439 PolarHBondContact OD1-NZ 2.83Å; H167-K439 VanDerWaalsContact CD2-CB 3.4Å; H167-K439 WeakPolarHBondContact CD2-CB 3.38Å; H167-K439 VanDerWaalsContact CD2-CG 3.45Å; H167-K439 WeakPolarHBondContact CD2-CG 2.89Å; N436-K439 PolarHBondContact O-N 3.44Å; N436-K439 VanDerWaalsContact O-N 3.12Å; N436-K439 WeakPolarHBondContact OD1-CA 3.25Å; N436-K439 PolarHBondContact OD1-N 2.89Å
440	K	82.4	Confident	92.9	Very high	134 Å²	134	33.1 Å²	33.1	58%	0.583	16%	0.163	S	C	*	.	S	Bend	trans	-88.3	-35	-174.7	-75.9	-177	178.5	-179.7	0	113	A169 N436 L438	A169-K440 WeakPolarHBondContact O-CE 3.41Å; A169-K440 PolarHBondContact O-NZ 3.32Å; N436-K440 PolarHBondContact OD1-N 3.33Å; L438-K440 HydrophobicContact CB-CD 4.02Å; L438-K440 HydrophobicContact CB-CG 3.84Å; L438-K440 HydrophobicContact CD1-CD 4.1Å; L438-K440 PolarHBondContact O-N 2.92Å; L438-K440 VanDerWaalsContact O-N 3.09Å
441	N	84.6	Confident	93	Very high	67 Å²	67	31.9 Å²	31.9	36%	0.358	16%	0.158	S	C	.	.			trans	-154.1	101.3	-174.6	-173.4	-6.5	0	0	0	111.3	N443 K444	N441-N443 PolarHBondContact O-N 2.85Å; N441-N443 VanDerWaalsContact OD1-CB 3.28Å; N441-N443 WeakPolarHBondContact OD1-CB 3.38Å; N441-N443 PolarHBondContact OD1-N 3.31Å; N441-K444 HydrophobicContact CB-CD 4.36Å; N441-K444 HydrophobicContact CB-CG 4.41Å; N441-K444 PolarHBondContact O-N 2.83Å; N441-K444 VanDerWaalsContact O-N 3.1Å
442	D	84.9	Confident	93.1	Very high	101 Å²	101	31.8 Å²	31.8	54%	0.54	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-66	-22.9	-179.3	-59.8	-21.5	0	0	0	112.4	N436 K444 E445	N436-D442 PolarHBondContact ND2-OD1 2.93Å; D442-K444 PolarHBondContact O-N 3.25Å; D442-K444 VanDerWaalsContact O-N 3.14Å; D442-E445 WeakPolarHBondContact O-CB 3.36Å; D442-E445 PolarHBondContact O-N 2.89Å; D442-E445 VanDerWaalsContact O-N 3.12Å
443	N	90.3	Very high	93.3	Very high	119 Å²	119	31.3 Å²	31.3	64%	0.636	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-72.5	-3.1	176.1	-56.6	-16.8	0	0	0	113	Q325 N441	Q325-N443 PolarHBondContact NE2-O 3.45Å; N441-N443 PolarHBondContact O-N 2.85Å; N441-N443 VanDerWaalsContact OD1-CB 3.28Å; N441-N443 WeakPolarHBondContact OD1-CB 3.38Å; N441-N443 PolarHBondContact OD1-N 3.31Å
444	K	92	Very high	93.5	Very high	81 Å²	81	29.7 Å²	29.7	35%	0.352	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-105.9	-11.6	172	-69.8	-177	164.9	-164.4	0	112.7	D433 R434 N441 D442	D433-K444 HydrophobicContact CB-CB 4.3Å; D433-K444 HydrophobicContact CB-CD 4.24Å; D433-K444 WeakPolarHBondContact OD2-CD 3.31Å; D433-K444 IonicContact OD2-NZ 2.71Å; D433-K444 PolarHBondContact OD2-NZ 2.86Å; R434-K444 WeakPolarHBondContact CD-O 3.4Å; R434-K444 PolarHBondContact NH1-O 2.91Å; N441-K444 HydrophobicContact CB-CD 4.36Å; N441-K444 HydrophobicContact CB-CG 4.41Å; N441-K444 PolarHBondContact O-N 2.83Å; N441-K444 VanDerWaalsContact O-N 3.1Å; D442-K444 PolarHBondContact O-N 3.25Å; D442-K444 VanDerWaalsContact O-N 3.14Å
445	E	95.3	Very high	93.6	Very high	19 Å²	19	29.4 Å²	29.4	9%	0.089	15%	0.146	C	C	.	.			trans	-67.2	134.1	179.4	-170.6	162.8	-175.1	0	0	109.7	K138 Q328 R434 N436 D442	K138-E445 IonicContact NZ-OE1 3.44Å; K138-E445 PolarHBondContact NZ-OE1 3.38Å; K138-E445 IonicContact NZ-OE2 3.59Å; Q328-E445 WeakPolarHBondContact CB-O 3.36Å; Q328-E445 WeakPolarHBondContact CG-O 3.42Å; R434-E445 WeakPolarHBondContact O-CG 3.34Å; N436-E445 HydrophobicContact CB-CB 3.99Å; N436-E445 HydrophobicContact CB-CG 3.92Å; N436-E445 WeakPolarHBondContact CB-OE2 3.45Å; N436-E445 PolarHBondContact ND2-OE2 2.75Å; D442-E445 WeakPolarHBondContact O-CB 3.36Å; D442-E445 PolarHBondContact O-N 2.89Å; D442-E445 VanDerWaalsContact O-N 3.12Å
446	S	96.6	Very high	93.8	Very high	6 Å²	6	29.2 Å²	29.2	4%	0.042	15%	0.145	C	C	.	.			trans	-159.3	138.8	174.3	-167.5	0	0	0	0	110.9	I324 R434 L448	I324-S446 PolarHBondContact O-OG 3.37Å; R434-S446 PolarHBondContact O-N 2.96Å; R434-S446 VanDerWaalsContact O-N 3.12Å; S446-L448 PolarHBondContact O-N 2.93Å; S446-L448 VanDerWaalsContact O-N 3.15Å
447	P	97.1	Very high	94	Very high	11 Å²	11	29.7 Å²	29.7	7%	0.071	15%	0.146	C	C	.	.			trans	-92.1	40.3	-174.1	34.4	-22.5	0	0	0	111	I327 Q328 F331 W359 F449 T450 L451	I327-P447 HydrophobicContact CG2-CG 4.14Å; Q328-P447 VanDerWaalsContact OE1-CD 3.28Å; F331-P447 HydrophobicContact CB-CB 4.17Å; F331-P447 HydrophobicContact CB-CG 3.3Å; F331-P447 HydrophobicContact CD1-CB 3.79Å; F331-P447 HydrophobicContact CD1-CG 3.77Å; F331-P447 HydrophobicContact CD2-CB 4.09Å; F331-P447 HydrophobicContact CD2-CG 4.09Å; F331-P447 HydrophobicContact CE1-CB 4.18Å; F331-P447 HydrophobicContact CE2-CB 4.45Å; F331-P447 HydrophobicContact CG-CB 3.75Å; F331-P447 HydrophobicContact CG-CG 3.45Å; F331-P447 VanDerWaalsContact CG-CG 3.45Å; F331-P447 HydrophobicContact CZ-CB 4.5Å; W359-P447 HydrophobicContact CH2-CB 4.47Å; W359-P447 HydrophobicContact CH2-CG 4.26Å; W359-P447 HydrophobicContact CZ3-CG 3.99Å; P447-F449 PolarHBondContact O-N 3.05Å; P447-T450 CarbonylContact O-C 3.6Å; P447-T450 WeakPolarHBondContact O-CB 3.33Å; P447-T450 PolarHBondContact O-N 2.89Å; P447-T450 VanDerWaalsContact O-N 3.13Å; P447-L451 PolarHBondContact O-N 3.11Å
448	L	97.9	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-41.5	-176.1	-83.1	161.8	0	0	0	113	I324 I327 F366 D393 L394 V397 W424 S446 T450 L451 F452	I324-L448 HydrophobicContact CG2-CD1 3.9Å; I327-L448 HydrophobicContact CD1-CD2 3.6Å; I327-L448 HydrophobicContact CD1-CG 4.45Å; F366-L448 HydrophobicContact CZ-CD2 4.4Å; D393-L448 HydrophobicContact CB-CD1 3.51Å; D393-L448 WeakPolarHBondContact OD1-CD1 3.32Å; L394-L448 HydrophobicContact CD2-CD2 4.15Å; V397-L448 HydrophobicContact CG2-CD2 4.14Å; W424-L448 HydrophobicContact CZ3-CB 4.49Å; S446-L448 PolarHBondContact O-N 2.93Å; S446-L448 VanDerWaalsContact O-N 3.15Å; L448-T450 VanDerWaalsContact C-N 3.33Å; L448-L451 WeakPolarHBondContact O-CB 3.41Å; L448-L451 PolarHBondContact O-N 2.93Å; L448-F452 PolarHBondContact O-N 3.01Å
449	F	98.6	Very high	94.8	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-38.3	175.9	-167.8	-109.7	0	0	0	111.2	V420 W424 F431 P447 F452 L453 L477 M481 F489	V420-F449 HydrophobicContact CG1-CE2 3.79Å; V420-F449 HydrophobicContact CG1-CZ 3.81Å; V420-F449 HydrophobicContact CG2-CE2 4.17Å; V420-F449 HydrophobicContact CG2-CZ 4.2Å; W424-F449 AromaticContact CD2-CD2 3.64Å; W424-F449 HydrophobicContact CD2-CD2 3.64Å; W424-F449 HydrophobicContact CD2-CE2 4.01Å; W424-F449 AromaticContact CE2-CD2 3.88Å; W424-F449 HydrophobicContact CE3-CB 4.42Å; W424-F449 AromaticContact CE3-CD2 3.58Å; W424-F449 HydrophobicContact CE3-CD2 3.58Å; W424-F449 HydrophobicContact CE3-CE2 4.36Å; W424-F449 HydrophobicContact CE3-CG 4.45Å; W424-F449 HydrophobicContact CG-CD2 4.3Å; W424-F449 HydrophobicContact CG-CE2 4.23Å; W424-F449 HydrophobicContact CH2-CB 4.33Å; W424-F449 AromaticContact CH2-CD2 3.96Å; W424-F449 HydrophobicContact CH2-CD2 3.96Å; W424-F449 HydrophobicContact CZ2-CD2 4.06Å; W424-F449 HydrophobicContact CZ3-CB 3.94Å; W424-F449 AromaticContact CZ3-CD2 3.74Å; W424-F449 HydrophobicContact CZ3-CD2 3.74Å; W424-F449 HydrophobicContact CZ3-CG 4.35Å; F431-F449 HydrophobicContact CE1-CB 3.97Å; F431-F449 HydrophobicContact CE1-CD1 4.26Å; F431-F449 HydrophobicContact CE1-CD2 4.02Å; F431-F449 AromaticContact CE1-CG 3.82Å; F431-F449 HydrophobicContact CE1-CG 3.82Å; F431-F449 AromaticContact CZ-CD2 4Å; F431-F449 HydrophobicContact CZ-CD2 4Å; F431-F449 HydrophobicContact CZ-CE2 4.32Å; F431-F449 HydrophobicContact CZ-CG 4.28Å; P447-F449 PolarHBondContact O-N 3.05Å; F449-F452 AromaticContact CD2-CD1 4Å; F449-F452 HydrophobicContact CD2-CD1 4Å; F449-F452 AromaticContact CE2-CD1 3.86Å; F449-F452 HydrophobicContact CE2-CD1 3.86Å; F449-F452 HydrophobicContact CE2-CE1 4.13Å; F449-F452 WeakPolarHBondContact O-CB 3.48Å; F449-F452 PolarHBondContact O-N 3.29Å; F449-L453 HydrophobicContact CD1-CD1 3.99Å; F449-L453 HydrophobicContact CD1-CG 4.25Å; F449-L453 HydrophobicContact CE1-CD1 3.79Å; F449-L453 HydrophobicContact CE1-CD2 4.23Å; F449-L453 HydrophobicContact CE1-CG 4.1Å; F449-L453 HydrophobicContact CZ-CD2 4.2Å; F449-L453 HydrophobicContact CZ-CG 4.48Å; F449-L453 WeakPolarHBondContact O-CG 3.24Å; F449-L453 PolarHBondContact O-N 3.3Å; F449-L477 HydrophobicContact CE1-CD2 4.42Å; F449-L477 HydrophobicContact CE1-CG 4.32Å; F449-L477 HydrophobicContact CZ-CD2 4.19Å; F449-M481 HydrophobicContact CB-CE 4.31Å; F449-M481 HydrophobicContact CB-SD 4.49Å; F449-M481 HydrophobicContact CD1-CE 4.33Å; F449-M481 HydrophobicContact CD1-CG 4.24Å; F449-M481 HydrophobicContact CD1-SD 3.53Å; F449-M481 VanDerWaalsContact CD1-SD 3.53Å; F449-M481 HydrophobicContact CE1-SD 4.26Å; F449-M481 HydrophobicContact CG-SD 4.45Å; F449-F489 AromaticContact CE1-CE1 3.89Å; F449-F489 HydrophobicContact CE1-CE1 3.89Å; F449-F489 HydrophobicContact CE1-CE2 4.39Å; F449-F489 AromaticContact CE1-CZ 3.69Å; F449-F489 HydrophobicContact CE1-CZ 3.69Å; F449-F489 HydrophobicContact CE2-CE1 4.33Å; F449-F489 AromaticContact CZ-CE1 3.75Å; F449-F489 HydrophobicContact CZ-CE1 3.75Å; F449-F489 AromaticContact CZ-CZ 3.71Å; F449-F489 HydrophobicContact CZ-CZ 3.71Å
450	T	98.2	Very high	95.3	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-41.3	172.7	-52.6	0	0	0	0	111.9	F331 W359 P447 L448 F452 L453 D454 F642	F331-T450 HydrophobicContact CE2-CG2 3.99Å; F331-T450 HydrophobicContact CZ-CG2 4.48Å; W359-T450 HydrophobicContact CZ2-CG2 4.5Å; P447-T450 CarbonylContact O-C 3.6Å; P447-T450 WeakPolarHBondContact O-CB 3.33Å; P447-T450 PolarHBondContact O-N 2.89Å; P447-T450 VanDerWaalsContact O-N 3.13Å; L448-T450 VanDerWaalsContact C-N 3.33Å; T450-F452 VanDerWaalsContact C-N 3.33Å; T450-F452 PolarHBondContact O-N 2.83Å; T450-L453 PolarHBondContact O-N 3.27Å; T450-D454 PolarHBondContact O-N 3.38Å; T450-F642 HydrophobicContact CG2-CE1 3.72Å; T450-F642 HydrophobicContact CG2-CE2 4.2Å; T450-F642 HydrophobicContact CG2-CZ 3.5Å
451	L	98.8	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-44.4	174.2	-175.5	77.1	0	0	0	110.9	I327 W359 V363 F366 P447 L448 D454 C455	I327-L451 HydrophobicContact CD1-CD2 4.24Å; I327-L451 HydrophobicContact CG2-CD2 4.15Å; W359-L451 HydrophobicContact CD2-CD1 4.45Å; W359-L451 HydrophobicContact CE3-CD1 4.22Å; W359-L451 HydrophobicContact CH2-CB 3.66Å; W359-L451 HydrophobicContact CH2-CD1 3.62Å; W359-L451 HydrophobicContact CH2-CG 4.27Å; W359-L451 HydrophobicContact CZ2-CB 4.23Å; W359-L451 HydrophobicContact CZ2-CD1 3.85Å; W359-L451 HydrophobicContact CZ3-CB 4.33Å; W359-L451 HydrophobicContact CZ3-CD1 3.79Å; V363-L451 HydrophobicContact CB-CD1 4.48Å; V363-L451 HydrophobicContact CG2-CD1 3.56Å; F366-L451 HydrophobicContact CD2-CD2 3.59Å; F366-L451 HydrophobicContact CE1-CD2 4.35Å; F366-L451 HydrophobicContact CE2-CD2 3.38Å; F366-L451 HydrophobicContact CG-CD2 4.16Å; F366-L451 HydrophobicContact CZ-CD2 3.76Å; P447-L451 PolarHBondContact O-N 3.11Å; L448-L451 WeakPolarHBondContact O-CB 3.41Å; L448-L451 PolarHBondContact O-N 2.93Å; L451-D454 PolarHBondContact O-N 2.82Å; L451-C455 PolarHBondContact O-N 3Å; L451-C455 PolarHBondContact O-SG 3.04Å; L451-C455 VanDerWaalsContact O-SG 3.33Å
452	F	98.9	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-48.9	173.4	164.5	-109.9	0	0	0	111.4	V397 L401 L404 F416 V420 W424 L448 F449 T450 D454 C455 V456	V397-F452 HydrophobicContact CG1-CB 4.2Å; V397-F452 HydrophobicContact CG1-CD2 4.44Å; V397-F452 HydrophobicContact CG2-CB 4.41Å; L401-F452 HydrophobicContact CD2-CD2 4.12Å; L401-F452 HydrophobicContact CD2-CE2 4.13Å; L401-F452 HydrophobicContact CG-CD2 4.22Å; L401-F452 HydrophobicContact CG-CE2 4.39Å; L404-F452 HydrophobicContact CD1-CE2 4.03Å; L404-F452 HydrophobicContact CD1-CZ 4.12Å; F416-F452 HydrophobicContact CE2-CE1 4.11Å; F416-F452 AromaticContact CE2-CZ 3.81Å; F416-F452 HydrophobicContact CE2-CZ 3.81Å; F416-F452 AromaticContact CZ-CE1 3.82Å; F416-F452 HydrophobicContact CZ-CE1 3.82Å; F416-F452 HydrophobicContact CZ-CZ 4.02Å; V420-F452 HydrophobicContact CG2-CE1 4.17Å; W424-F452 HydrophobicContact CH2-CB 3.77Å; W424-F452 HydrophobicContact CH2-CG 4.26Å; W424-F452 HydrophobicContact CZ2-CB 3.46Å; W424-F452 VanDerWaalsContact CZ2-CB 3.46Å; W424-F452 AromaticContact CZ2-CD1 3.75Å; W424-F452 HydrophobicContact CZ2-CD1 3.75Å; W424-F452 HydrophobicContact CZ2-CD2 4.05Å; W424-F452 AromaticContact CZ2-CG 3.46Å; W424-F452 HydrophobicContact CZ2-CG 3.46Å; W424-F452 VanDerWaalsContact CZ2-CG 3.46Å; L448-F452 PolarHBondContact O-N 3.01Å; F449-F452 AromaticContact CD2-CD1 4Å; F449-F452 HydrophobicContact CD2-CD1 4Å; F449-F452 AromaticContact CE2-CD1 3.86Å; F449-F452 HydrophobicContact CE2-CD1 3.86Å; F449-F452 HydrophobicContact CE2-CE1 4.13Å; F449-F452 WeakPolarHBondContact O-CB 3.48Å; F449-F452 PolarHBondContact O-N 3.29Å; T450-F452 VanDerWaalsContact C-N 3.33Å; T450-F452 PolarHBondContact O-N 2.83Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.38Å; F452-C455 WeakPolarHBondContact O-CB 3.17Å; F452-C455 PolarHBondContact O-N 3.44Å; F452-V456 HydrophobicContact CD2-CG2 4.02Å; F452-V456 HydrophobicContact CE1-CG2 4.15Å; F452-V456 HydrophobicContact CE2-CG2 3.54Å; F452-V456 HydrophobicContact CZ-CG2 3.63Å; F452-V456 VanDerWaalsContact O-CG2 3.3Å; F452-V456 WeakPolarHBondContact O-CG2 3.38Å; F452-V456 PolarHBondContact O-N 3.03Å
453	L	98.8	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-35.9	177.6	-64.8	-179.9	0	0	0	112.4	F416 F449 T450 V456 W457 L474 L477 W639	F416-L453 HydrophobicContact CE1-CD2 4.36Å; F416-L453 HydrophobicContact CZ-CD2 3.99Å; F449-L453 HydrophobicContact CD1-CD1 3.99Å; F449-L453 HydrophobicContact CD1-CG 4.25Å; F449-L453 HydrophobicContact CE1-CD1 3.79Å; F449-L453 HydrophobicContact CE1-CD2 4.23Å; F449-L453 HydrophobicContact CE1-CG 4.1Å; F449-L453 HydrophobicContact CZ-CD2 4.2Å; F449-L453 HydrophobicContact CZ-CG 4.48Å; F449-L453 WeakPolarHBondContact O-CG 3.24Å; F449-L453 PolarHBondContact O-N 3.3Å; T450-L453 PolarHBondContact O-N 3.27Å; L453-V456 PolarHBondContact O-N 2.63Å; L453-W457 WeakPolarHBondContact O-CB 3.36Å; L453-W457 PolarHBondContact O-N 3Å; L453-L474 HydrophobicContact CD2-CD2 4.05Å; L453-L477 HydrophobicContact CD2-CD2 4.08Å; L453-W639 HydrophobicContact CB-CH2 4.12Å; L453-W639 HydrophobicContact CB-CZ3 3.81Å
454	D	98.8	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-48.2	172.9	-163.8	-28.5	0	0	0	110.5	W359 V363 T450 L451 F452 V456 W457 Q458 W639	W359-D454 HydrophobicContact CZ2-CB 4.41Å; W359-D454 PolarHBondContact NE1-OD2 3.18Å; V363-D454 HydrophobicContact CG2-CB 4.14Å; T450-D454 PolarHBondContact O-N 3.38Å; L451-D454 PolarHBondContact O-N 2.82Å; F452-D454 VanDerWaalsContact C-N 3.29Å; F452-D454 PolarHBondContact O-N 3.38Å; D454-V456 VanDerWaalsContact C-N 3.29Å; D454-V456 PolarHBondContact O-N 2.75Å; D454-W457 CarbonylContact O-C 3.51Å; D454-W457 WeakPolarHBondContact O-CA 3.37Å; D454-W457 WeakPolarHBondContact O-CB 3.39Å; D454-W457 PolarHBondContact O-N 3.12Å; D454-Q458 WeakPolarHBondContact O-CG 3.48Å; D454-Q458 PolarHBondContact O-N 2.81Å; D454-Q458 PolarHBondContact OD1-NE2 2.92Å; D454-W639 HydrophobicContact CB-CE3 4.14Å
455	C	98.9	Very high	96.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.1	-41.6	173.4	-69.1	0	0	0	0	112.6	L367 L401 L451 F452 Q458 L459	L367-C455 HydrophobicContact CD2-CB 3.96Å; L367-C455 HydrophobicContact CG-CB 4.22Å; L401-C455 HydrophobicContact CD1-CB 3.77Å; L401-C455 HydrophobicContact CD2-CB 3.63Å; L401-C455 HydrophobicContact CG-CB 4.32Å; L451-C455 PolarHBondContact O-N 3Å; L451-C455 PolarHBondContact O-SG 3.04Å; L451-C455 VanDerWaalsContact O-SG 3.33Å; F452-C455 WeakPolarHBondContact O-CB 3.17Å; F452-C455 PolarHBondContact O-N 3.44Å; C455-Q458 PolarHBondContact O-N 2.75Å; C455-L459 PolarHBondContact O-N 2.82Å; C455-L459 VanDerWaalsContact O-N 3.17Å
456	V	98.8	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.3	-42.8	174.2	178.2	0	0	0	0	110.3	L401 L404 F416 F452 L453 D454 Q458 L459 T460 F469 L474	L401-V456 HydrophobicContact CD2-CG2 4.23Å; L404-V456 HydrophobicContact CD1-CG2 3.62Å; F416-V456 HydrophobicContact CE2-CG1 3.93Å; F416-V456 HydrophobicContact CE2-CG2 3.95Å; F416-V456 HydrophobicContact CZ-CG1 4.28Å; F416-V456 HydrophobicContact CZ-CG2 4.3Å; F452-V456 HydrophobicContact CD2-CG2 4.02Å; F452-V456 HydrophobicContact CE1-CG2 4.15Å; F452-V456 HydrophobicContact CE2-CG2 3.54Å; F452-V456 HydrophobicContact CZ-CG2 3.63Å; F452-V456 VanDerWaalsContact O-CG2 3.3Å; F452-V456 WeakPolarHBondContact O-CG2 3.38Å; F452-V456 PolarHBondContact O-N 3.03Å; L453-V456 PolarHBondContact O-N 2.63Å; D454-V456 VanDerWaalsContact C-N 3.29Å; D454-V456 PolarHBondContact O-N 2.75Å; V456-Q458 VanDerWaalsContact C-N 3.34Å; V456-Q458 PolarHBondContact O-N 2.57Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 2.83Å; V456-L459 VanDerWaalsContact O-N 3.13Å; V456-T460 HydrophobicContact CG1-CG2 4.35Å; V456-T460 WeakPolarHBondContact O-CG2 3.15Å; V456-T460 PolarHBondContact O-N 2.93Å; V456-F469 HydrophobicContact CG1-CE2 3.85Å; V456-F469 HydrophobicContact CG1-CZ 3.82Å; V456-L474 HydrophobicContact CB-CD1 4.46Å; V456-L474 HydrophobicContact CG1-CD1 4.07Å; V456-L474 HydrophobicContact CG1-CD2 4.04Å
457	W	98.5	Very high	96.9	Very high	15 Å²	15	13 Å²	13	6%	0.057	7%	0.074	C	C	.	.	H	α-helix	trans	-60.2	-42.7	175.9	177	77	0	0	0	111.7	L453 D454 L459 T460 N461 E471 L474 V637 L638 W639	L453-W457 WeakPolarHBondContact O-CB 3.36Å; L453-W457 PolarHBondContact O-N 3Å; D454-W457 CarbonylContact O-C 3.51Å; D454-W457 WeakPolarHBondContact O-CA 3.37Å; D454-W457 WeakPolarHBondContact O-CB 3.39Å; D454-W457 PolarHBondContact O-N 3.12Å; W457-L459 VanDerWaalsContact C-N 3.29Å; W457-L459 PolarHBondContact O-N 2.71Å; W457-T460 WeakPolarHBondContact CA-OG1 3.41Å; W457-T460 PolarHBondContact O-N 3.18Å; W457-T460 VanDerWaalsContact O-N 3.1Å; W457-T460 PolarHBondContact O-OG1 3.29Å; W457-N461 HydrophobicContact CZ2-CB 4.48Å; W457-N461 WeakPolarHBondContact O-CB 3.25Å; W457-N461 PolarHBondContact O-N 3.37Å; W457-E471 VanDerWaalsContact CD1-CG 3.46Å; W457-E471 PolarHBondContact NE1-OE1 3.25Å; W457-E471 PolarHBondContact NE1-OE2 3.06Å; W457-L474 HydrophobicContact CB-CD1 3.94Å; W457-V637 HydrophobicContact CH2-CB 4.33Å; W457-V637 HydrophobicContact CH2-CG2 3.46Å; W457-V637 VanDerWaalsContact CH2-CG2 3.46Å; W457-V637 HydrophobicContact CZ3-CG2 3.66Å; W457-V637 WeakPolarHBondContact CZ3-O 3.4Å; W457-L638 VanDerWaalsContact CH2-O 3.31Å; W457-L638 WeakPolarHBondContact CH2-O 3.31Å; W457-W639 HydrophobicContact CB-CD2 4.03Å; W457-W639 HydrophobicContact CB-CE3 4.27Å; W457-W639 HydrophobicContact CB-CG 4.35Å; W457-W639 AromaticContact CD1-CD1 3.73Å; W457-W639 AromaticContact CD1-CE2 3.98Å; W457-W639 AromaticContact CD1-NE1 3.61Å; W457-W639 HydrophobicContact CD2-CB 3.83Å; W457-W639 AromaticContact CD2-CD1 3.58Å; W457-W639 HydrophobicContact CD2-CD2 4.23Å; W457-W639 AromaticContact CD2-CG 3.62Å; W457-W639 HydrophobicContact CD2-CG 3.62Å; W457-W639 AromaticContact CE2-CD1 3.48Å; W457-W639 VanDerWaalsContact CE2-CD1 3.48Å; W457-W639 AromaticContact CE2-CG 3.98Å; W457-W639 HydrophobicContact CE3-CB 3.58Å; W457-W639 AromaticContact CE3-CG 3.91Å; W457-W639 HydrophobicContact CE3-CG 3.91Å; W457-W639 HydrophobicContact CG-CB 4.45Å; W457-W639 AromaticContact CG-CD1 3.73Å; W457-W639 AromaticContact CG-CD2 3.91Å; W457-W639 HydrophobicContact CG-CD2 3.91Å; W457-W639 AromaticContact CG-CE2 3.96Å; W457-W639 AromaticContact CG-CG 3.81Å; W457-W639 HydrophobicContact CG-CG 3.81Å; W457-W639 AromaticContact CG-NE1 3.88Å; W457-W639 HydrophobicContact CH2-CB 4.29Å; W457-W639 VanDerWaalsContact CZ3-CA 3.49Å; W457-W639 HydrophobicContact CZ3-CB 3.83Å; W457-W639 HydrophobicContact CZ3-CG 4.48Å; W457-W639 AromaticContact NE1-CD1 3.56Å; W457-W639 AromaticContact NE1-NE1 3.75Å
458	Q	98.4	Very high	96.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.2	-43.9	173.6	-57.8	-57.9	-32.9	0	0	111.4	V363 L367 D454 C455 V456 N461 Q462 V636 V637	V363-Q458 HydrophobicContact CG1-CG 3.69Å; L367-Q458 HydrophobicContact CD1-CB 3.9Å; L367-Q458 HydrophobicContact CD1-CG 4.01Å; D454-Q458 WeakPolarHBondContact O-CG 3.48Å; D454-Q458 PolarHBondContact O-N 2.81Å; D454-Q458 PolarHBondContact OD1-NE2 2.92Å; C455-Q458 PolarHBondContact O-N 2.75Å; V456-Q458 VanDerWaalsContact C-N 3.34Å; V456-Q458 PolarHBondContact O-N 2.57Å; Q458-N461 PolarHBondContact O-N 2.87Å; Q458-Q462 WeakPolarHBondContact O-CB 3.16Å; Q458-Q462 WeakPolarHBondContact O-CG 3.15Å; Q458-Q462 PolarHBondContact O-N 2.76Å; Q458-V636 HydrophobicContact CG-CG1 4.35Å; Q458-V637 PolarHBondContact NE2-O 2.92Å; Q458-V637 VanDerWaalsContact OE1-N 3.11Å
459	L	98.1	Very high	96.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-42.9	175.7	-68.6	173	0	0	0	112	L367 L401 M405 C455 V456 W457 N461 Q462 Y463 F467 P629	L367-L459 HydrophobicContact CD2-CD2 4.45Å; L367-L459 HydrophobicContact CD2-CG 4.23Å; L401-L459 HydrophobicContact CD2-CD1 4.28Å; M405-L459 HydrophobicContact CE-CD1 4.25Å; M405-L459 HydrophobicContact CE-CD2 4.28Å; M405-L459 HydrophobicContact CG-CD1 4.34Å; C455-L459 PolarHBondContact O-N 2.82Å; C455-L459 VanDerWaalsContact O-N 3.17Å; V456-L459 WeakPolarHBondContact O-CB 3.4Å; V456-L459 PolarHBondContact O-N 2.83Å; V456-L459 VanDerWaalsContact O-N 3.13Å; W457-L459 VanDerWaalsContact C-N 3.29Å; W457-L459 PolarHBondContact O-N 2.71Å; L459-N461 VanDerWaalsContact C-N 3.31Å; L459-N461 PolarHBondContact O-N 2.84Å; L459-Q462 PolarHBondContact O-N 3.38Å; L459-Y463 WeakPolarHBondContact O-CB 3.3Å; L459-Y463 PolarHBondContact O-N 2.81Å; L459-F467 HydrophobicContact CB-CE2 3.89Å; L459-F467 HydrophobicContact CB-CZ 3.72Å; L459-F467 HydrophobicContact CD1-CZ 4.4Å; L459-P629 HydrophobicContact CD2-CB 3.81Å; L459-P629 HydrophobicContact CD2-CG 4.27Å
460	T	96.3	Very high	96.4	Very high	15 Å²	15	15.5 Å²	15.5	9%	0.092	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-35.1	177	64	0	0	0	0	112.3	V456 W457 Y463 P464 F467 F469 L474	V456-T460 HydrophobicContact CG1-CG2 4.35Å; V456-T460 WeakPolarHBondContact O-CG2 3.15Å; V456-T460 PolarHBondContact O-N 2.93Å; W457-T460 WeakPolarHBondContact CA-OG1 3.41Å; W457-T460 PolarHBondContact O-N 3.18Å; W457-T460 VanDerWaalsContact O-N 3.1Å; W457-T460 PolarHBondContact O-OG1 3.29Å; T460-Y463 CarbonylContact O-C 3.36Å; T460-P464 WeakPolarHBondContact O-CA 3.39Å; T460-P464 VanDerWaalsContact O-N 3.12Å; T460-F467 HydrophobicContact CG2-CB 3.91Å; T460-F467 HydrophobicContact CG2-CD1 3.97Å; T460-F467 HydrophobicContact CG2-CD2 3.79Å; T460-F467 HydrophobicContact CG2-CE1 4.42Å; T460-F467 HydrophobicContact CG2-CE2 4.28Å; T460-F467 HydrophobicContact CG2-CG 3.62Å; T460-F469 HydrophobicContact CG2-CD2 4.49Å; T460-F469 HydrophobicContact CG2-CE2 3.8Å; T460-F469 HydrophobicContact CG2-CZ 4.46Å; T460-L474 HydrophobicContact CG2-CD1 4.49Å
461	N	93.8	Very high	96.2	Very high	83 Å²	83	18 Å²	18	44%	0.444	10%	0.098	S	C	.	.	H	α-helix	trans	-73	-37	179	-176.8	63.9	0	0	0	111.8	W457 Q458 L459	W457-N461 HydrophobicContact CZ2-CB 4.48Å; W457-N461 WeakPolarHBondContact O-CB 3.25Å; W457-N461 PolarHBondContact O-N 3.37Å; Q458-N461 PolarHBondContact O-N 2.87Å; L459-N461 VanDerWaalsContact C-N 3.31Å; L459-N461 PolarHBondContact O-N 2.84Å
462	Q	94.2	Very high	95.8	Very high	39 Å²	39	19.1 Å²	19.1	18%	0.182	11%	0.107	C	C	.	.	H	α-helix	trans	-78.7	-30.4	176.2	-66.6	-179	19.2	0	0	112.7	Q458 L459 P464 Y630 H635	Q458-Q462 WeakPolarHBondContact O-CB 3.16Å; Q458-Q462 WeakPolarHBondContact O-CG 3.15Å; Q458-Q462 PolarHBondContact O-N 2.76Å; L459-Q462 PolarHBondContact O-N 3.38Å; Q462-P464 VanDerWaalsContact C-CD 3.44Å; Q462-Y630 PolarHBondContact NE2-O 3.01Å; Q462-H635 PolarHBondContact NE2-O 2.75Å
463	Y	95.1	Very high	95.6	Very high	13 Å²	13	19.1 Å²	19.1	5%	0.051	11%	0.107	C	C	.	.			trans	-128	63.5	-178.4	-57.9	-74.4	0	0	0	112.6	L459 T460 A465 A466 A621 L627 I628	L459-Y463 WeakPolarHBondContact O-CB 3.3Å; L459-Y463 PolarHBondContact O-N 2.81Å; T460-Y463 CarbonylContact O-C 3.36Å; Y463-A465 PolarHBondContact O-N 2.85Å; Y463-A465 VanDerWaalsContact O-N 3.08Å; Y463-A466 WeakPolarHBondContact O-CB 3.43Å; Y463-A466 PolarHBondContact O-N 2.69Å; Y463-A621 HydrophobicContact CD1-CB 4.21Å; Y463-A621 HydrophobicContact CE1-CB 3.83Å; Y463-L627 HydrophobicContact CD1-CD2 3.86Å; Y463-L627 HydrophobicContact CD2-CB 4.22Å; Y463-L627 HydrophobicContact CD2-CD1 4.18Å; Y463-L627 HydrophobicContact CD2-CD2 4.3Å; Y463-L627 HydrophobicContact CD2-CG 4.46Å; Y463-L627 HydrophobicContact CE1-CD2 4.19Å; Y463-L627 HydrophobicContact CE2-CB 4.18Å; Y463-L627 HydrophobicContact CG-CD1 4.16Å; Y463-L627 HydrophobicContact CG-CD2 3.92Å; Y463-L627 HydrophobicContact CG-CG 4.47Å; Y463-I628 PolarHBondContact OH-O 3.46Å
464	P	92.2	Very high	95.6	Very high	70 Å²	70	19.1 Å²	19.1	46%	0.455	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17	-171.4	22.1	-32	0	0	0	114.6	T460 Q462 N540	T460-P464 WeakPolarHBondContact O-CA 3.39Å; T460-P464 VanDerWaalsContact O-N 3.12Å; Q462-P464 VanDerWaalsContact C-CD 3.44Å; P464-N540 PolarHBondContact O-ND2 2.96Å
465	A	92.5	Very high	95.3	Very high	20 Å²	20	19.6 Å²	19.6	17%	0.165	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.7	176	0	0	0	0	0	113.7	Y463 M542 V544 Q623	Y463-A465 PolarHBondContact O-N 2.85Å; Y463-A465 VanDerWaalsContact O-N 3.08Å; A465-M542 WeakPolarHBondContact CA-O 3.39Å; A465-M542 WeakPolarHBondContact CB-O 3.37Å; A465-V544 HydrophobicContact CB-CG2 4.08Å; A465-V544 PolarHBondContact O-N 3.4Å; A465-Q623 HydrophobicContact CB-CG 3.95Å
466	A	95.6	Very high	95	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-17	-175.2	0	0	0	0	0	114.4	R411 Y463 Y543 Q623 L627	R411-A466 VanDerWaalsContact CB-O 3.24Å; R411-A466 WeakPolarHBondContact CB-O 3.32Å; R411-A466 VanDerWaalsContact CD-O 3.3Å; R411-A466 WeakPolarHBondContact CD-O 3.47Å; Y463-A466 WeakPolarHBondContact O-CB 3.43Å; Y463-A466 PolarHBondContact O-N 2.69Å; A466-Y543 WeakPolarHBondContact O-CE2 3.45Å; A466-Q623 HydrophobicContact CB-CB 4.24Å; A466-Q623 VanDerWaalsContact CB-O 3.31Å; A466-Q623 WeakPolarHBondContact CB-O 2.93Å; A466-L627 HydrophobicContact CB-CD1 3.7Å; A466-L627 HydrophobicContact CB-CD2 4.39Å
467	F	96.5	Very high	94.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.			trans	-114.6	133.2	-175.4	-66.5	-94.2	0	0	0	111.7	L404 R411 L459 T460 F469 N540 Y543 L627	L404-F467 HydrophobicContact CD2-CE1 4.24Å; R411-F467 HydrophobicContact CB-CD1 3.75Å; R411-F467 HydrophobicContact CB-CE1 4.08Å; R411-F467 HydrophobicContact CB-CG 4.29Å; R411-F467 HydrophobicContact CG-CD1 3.93Å; R411-F467 HydrophobicContact CG-CE1 3.72Å; R411-F467 HydrophobicContact CG-CZ 4.2Å; L459-F467 HydrophobicContact CB-CE2 3.89Å; L459-F467 HydrophobicContact CB-CZ 3.72Å; L459-F467 HydrophobicContact CD1-CZ 4.4Å; T460-F467 HydrophobicContact CG2-CB 3.91Å; T460-F467 HydrophobicContact CG2-CD1 3.97Å; T460-F467 HydrophobicContact CG2-CD2 3.79Å; T460-F467 HydrophobicContact CG2-CE1 4.42Å; T460-F467 HydrophobicContact CG2-CE2 4.28Å; T460-F467 HydrophobicContact CG2-CG 3.62Å; F467-F469 VanDerWaalsContact C-N 3.28Å; F467-F469 HydrophobicContact CB-CZ 4.43Å; F467-F469 AromaticContact CD1-CE1 3.83Å; F467-F469 HydrophobicContact CD1-CE1 3.83Å; F467-F469 HydrophobicContact CD1-CE2 4.14Å; F467-F469 AromaticContact CD1-CZ 3.46Å; F467-F469 HydrophobicContact CD1-CZ 3.46Å; F467-F469 VanDerWaalsContact CD1-CZ 3.46Å; F467-F469 HydrophobicContact CE1-CZ 4.12Å; F467-F469 HydrophobicContact CG-CZ 4.33Å; F467-N540 WeakPolarHBondContact O-CB 3.35Å; F467-N540 PolarHBondContact O-ND2 3.49Å; F467-Y543 WeakPolarHBondContact O-CD2 3.26Å; F467-L627 HydrophobicContact CE2-CD1 3.89Å; F467-L627 HydrophobicContact CZ-CD1 4.21Å
468	E	95.3	Very high	94.7	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.168	11%	0.111	C	C	.	.	S	Bend	trans	-74	-22.5	179.2	-173.1	176.7	-156.4	0	0	112.2	R411 S412 L413 N539 N540 Y543	R411-E468 PolarHBondContact O-N 2.81Å; S412-E468 WeakPolarHBondContact CA-OE2 3.46Å; S412-E468 WeakPolarHBondContact CB-OE2 3.49Å; L413-E468 PolarHBondContact N-OE2 3.13Å; E468-N539 CarbonylContact O-C 3.57Å; E468-N539 WeakPolarHBondContact O-CA 3.31Å; E468-N540 WeakPolarHBondContact O-CB 3.18Å; E468-N540 PolarHBondContact O-N 3.31Å; E468-Y543 HydrophobicContact CB-CD1 3.74Å; E468-Y543 HydrophobicContact CB-CD2 4.15Å; E468-Y543 HydrophobicContact CB-CE1 3.8Å; E468-Y543 HydrophobicContact CB-CE2 4.18Å; E468-Y543 HydrophobicContact CB-CG 3.92Å; E468-Y543 HydrophobicContact CG-CD1 3.82Å; E468-Y543 HydrophobicContact CG-CE1 4.03Å; E468-Y543 HydrophobicContact CG-CG 4.36Å; E468-Y543 VanDerWaalsContact N-CD2 3.34Å
469	F	95.3	Very high	94.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-102.5	155.7	-175.7	56.7	-98.3	0	0	0	113.3	L413 F416 V456 T460 F467 Y473 L474 F538	L413-F469 HydrophobicContact CD1-CB 3.88Å; F416-F469 HydrophobicContact CB-CD1 4.13Å; F416-F469 HydrophobicContact CB-CE1 3.65Å; F416-F469 HydrophobicContact CB-CZ 4.43Å; F416-F469 HydrophobicContact CD1-CE1 4.38Å; F416-F469 AromaticContact CD2-CE1 3.82Å; F416-F469 HydrophobicContact CD2-CE1 3.82Å; F416-F469 AromaticContact CD2-CZ 3.76Å; F416-F469 HydrophobicContact CD2-CZ 3.76Å; F416-F469 HydrophobicContact CE2-CZ 4.11Å; F416-F469 HydrophobicContact CG-CD1 4.37Å; F416-F469 AromaticContact CG-CE1 3.68Å; F416-F469 HydrophobicContact CG-CE1 3.68Å; F416-F469 AromaticContact CG-CZ 3.98Å; F416-F469 HydrophobicContact CG-CZ 3.98Å; V456-F469 HydrophobicContact CG1-CE2 3.85Å; V456-F469 HydrophobicContact CG1-CZ 3.82Å; T460-F469 HydrophobicContact CG2-CD2 4.49Å; T460-F469 HydrophobicContact CG2-CE2 3.8Å; T460-F469 HydrophobicContact CG2-CZ 4.46Å; F467-F469 VanDerWaalsContact C-N 3.28Å; F467-F469 HydrophobicContact CB-CZ 4.43Å; F467-F469 AromaticContact CD1-CE1 3.83Å; F467-F469 HydrophobicContact CD1-CE1 3.83Å; F467-F469 HydrophobicContact CD1-CE2 4.14Å; F467-F469 AromaticContact CD1-CZ 3.46Å; F467-F469 HydrophobicContact CD1-CZ 3.46Å; F467-F469 VanDerWaalsContact CD1-CZ 3.46Å; F467-F469 HydrophobicContact CE1-CZ 4.12Å; F467-F469 HydrophobicContact CG-CZ 4.33Å; F469-Y473 HydrophobicContact CB-CD1 3.57Å; F469-Y473 HydrophobicContact CB-CE1 4.22Å; F469-Y473 HydrophobicContact CB-CG 3.98Å; F469-Y473 AromaticContact CD2-CD1 3.9Å; F469-Y473 HydrophobicContact CD2-CD1 3.9Å; F469-Y473 AromaticContact CG-CD1 3.76Å; F469-Y473 HydrophobicContact CG-CD1 3.76Å; F469-Y473 HydrophobicContact CG-CE1 4.19Å; F469-L474 HydrophobicContact CD2-CD2 4Å; F469-L474 HydrophobicContact CD2-CG 4.09Å; F469-L474 HydrophobicContact CE2-CD1 4.15Å; F469-L474 HydrophobicContact CE2-CD2 3.63Å; F469-L474 HydrophobicContact CE2-CG 3.99Å; F469-L474 HydrophobicContact CZ-CD2 4.45Å; F469-F538 CarbonylContact C-O 3.59Å; F469-F538 WeakPolarHBondContact CA-O 3.49Å
470	T	92.7	Very high	94.3	Very high	28 Å²	28	21.7 Å²	21.7	17%	0.172	12%	0.123	C	C	.	.			trans	-93	167	-179.8	61.3	0	0	0	0	112.8	A472 Y473 L474 L537 F538 N539 N540	T470-A472 PolarHBondContact O-N 3.23Å; T470-A472 PolarHBondContact OG1-N 3.33Å; T470-Y473 WeakPolarHBondContact O-CB 3.41Å; T470-Y473 PolarHBondContact O-N 2.9Å; T470-Y473 VanDerWaalsContact O-N 3.15Å; T470-Y473 PolarHBondContact OG1-N 3.07Å; T470-L474 PolarHBondContact O-N 3.13Å; T470-L537 WeakPolarHBondContact CG2-O 3.32Å; T470-L537 PolarHBondContact OG1-O 2.89Å; T470-F538 PolarHBondContact N-O 3.48Å; T470-N539 WeakPolarHBondContact CG2-O 3.36Å; T470-N540 HydrophobicContact CG2-CB 4.07Å
471	E	92.7	Very high	94.2	Very high	58 Å²	58	21.4 Å²	21.4	27%	0.271	12%	0.121	S	C	.	.	H	α-helix	trans	-55.6	-36.7	167.2	-178.2	175.4	175.2	0	0	112.3	W457 Y473 L474 T475 W639 L641	W457-E471 VanDerWaalsContact CD1-CG 3.46Å; W457-E471 PolarHBondContact NE1-OE1 3.25Å; W457-E471 PolarHBondContact NE1-OE2 3.06Å; E471-Y473 VanDerWaalsContact C-N 3.31Å; E471-Y473 PolarHBondContact O-N 2.85Å; E471-L474 PolarHBondContact O-N 3.15Å; E471-T475 PolarHBondContact O-N 3.44Å; E471-T475 PolarHBondContact O-OG1 3.5Å; E471-T475 VanDerWaalsContact O-OG1 3.12Å; E471-W639 HydrophobicContact CG-CZ2 4.32Å; E471-W639 PolarHBondContact OE1-NE1 2.93Å; E471-L641 HydrophobicContact CB-CD2 4.35Å; E471-L641 HydrophobicContact CG-CB 4.02Å; E471-L641 HydrophobicContact CG-CD2 3.76Å; E471-L641 WeakPolarHBondContact OE1-CB 3.1Å; E471-L641 PolarHBondContact OE1-N 3.02Å
472	A	90.8	Very high	94.1	Very high	23 Å²	23	18.6 Å²	18.6	19%	0.19	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-37.5	177.1	0	0	0	0	0	112.2	F89 T470 T475 V476 L641	F89-A472 HydrophobicContact CE2-CB 3.9Å; F89-A472 HydrophobicContact CZ-CB 4.41Å; T470-A472 PolarHBondContact O-N 3.23Å; T470-A472 PolarHBondContact OG1-N 3.33Å; A472-T475 PolarHBondContact O-N 2.9Å; A472-V476 WeakPolarHBondContact O-CB 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.39Å; A472-V476 PolarHBondContact O-N 3.46Å; A472-L641 HydrophobicContact CB-CD2 4.49Å
473	Y	95.5	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-43.6	173.6	172.1	-101.4	0	0	0	112	L413 F416 Q417 F469 T470 E471 V476 L477 W526 F538	L413-Y473 HydrophobicContact CD1-CD1 4.24Å; L413-Y473 HydrophobicContact CD1-CD2 3.75Å; L413-Y473 HydrophobicContact CD1-CE1 4.1Å; L413-Y473 HydrophobicContact CD1-CE2 3.58Å; L413-Y473 HydrophobicContact CD1-CG 4.07Å; L413-Y473 HydrophobicContact CG-CE2 4.44Å; F416-Y473 AromaticContact CD1-CE1 3.75Å; F416-Y473 HydrophobicContact CD1-CE1 3.75Å; F416-Y473 HydrophobicContact CE1-CE1 4.12Å; Q417-Y473 WeakPolarHBondContact CG-OH 3.47Å; F469-Y473 HydrophobicContact CB-CD1 3.57Å; F469-Y473 HydrophobicContact CB-CE1 4.22Å; F469-Y473 HydrophobicContact CB-CG 3.98Å; F469-Y473 AromaticContact CD2-CD1 3.9Å; F469-Y473 HydrophobicContact CD2-CD1 3.9Å; F469-Y473 AromaticContact CG-CD1 3.76Å; F469-Y473 HydrophobicContact CG-CD1 3.76Å; F469-Y473 HydrophobicContact CG-CE1 4.19Å; T470-Y473 WeakPolarHBondContact O-CB 3.41Å; T470-Y473 PolarHBondContact O-N 2.9Å; T470-Y473 VanDerWaalsContact O-N 3.15Å; T470-Y473 PolarHBondContact OG1-N 3.07Å; E471-Y473 VanDerWaalsContact C-N 3.31Å; E471-Y473 PolarHBondContact O-N 2.85Å; Y473-V476 PolarHBondContact O-N 2.89Å; Y473-L477 WeakPolarHBondContact O-CB 3.5Å; Y473-L477 PolarHBondContact O-N 3.32Å; Y473-W526 HydrophobicContact CD2-CZ2 4.4Å; Y473-W526 AromaticContact CE2-CE2 3.79Å; Y473-W526 HydrophobicContact CE2-CH2 4.38Å; Y473-W526 AromaticContact CE2-CZ2 3.53Å; Y473-W526 HydrophobicContact CE2-CZ2 3.53Å; Y473-W526 AromaticContact CE2-NE1 3.87Å; Y473-F538 HydrophobicContact CD2-CB 3.96Å; Y473-F538 AromaticContact CD2-CD1 3.94Å; Y473-F538 HydrophobicContact CD2-CD1 3.94Å; Y473-F538 AromaticContact CD2-CD2 3.82Å; Y473-F538 HydrophobicContact CD2-CD2 3.82Å; Y473-F538 HydrophobicContact CD2-CE1 4.36Å; Y473-F538 HydrophobicContact CD2-CE2 4.25Å; Y473-F538 AromaticContact CD2-CG 3.65Å; Y473-F538 HydrophobicContact CD2-CG 3.65Å; Y473-F538 HydrophobicContact CE2-CD2 4.35Å; Y473-F538 HydrophobicContact CG-CB 4.36Å; Y473-F538 HydrophobicContact CG-CD1 4.46Å; Y473-F538 HydrophobicContact CG-CG 4.37Å
474	L	96.9	Very high	93.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-42.2	177.1	-63.1	177.7	0	0	0	111.8	F416 L453 V456 W457 T460 F469 T470 E471 L477 S478 W639	F416-L474 HydrophobicContact CE1-CD2 4.04Å; F416-L474 HydrophobicContact CZ-CD2 3.97Å; L453-L474 HydrophobicContact CD2-CD2 4.05Å; V456-L474 HydrophobicContact CB-CD1 4.46Å; V456-L474 HydrophobicContact CG1-CD1 4.07Å; V456-L474 HydrophobicContact CG1-CD2 4.04Å; W457-L474 HydrophobicContact CB-CD1 3.94Å; T460-L474 HydrophobicContact CG2-CD1 4.49Å; F469-L474 HydrophobicContact CD2-CD2 4Å; F469-L474 HydrophobicContact CD2-CG 4.09Å; F469-L474 HydrophobicContact CE2-CD1 4.15Å; F469-L474 HydrophobicContact CE2-CD2 3.63Å; F469-L474 HydrophobicContact CE2-CG 3.99Å; F469-L474 HydrophobicContact CZ-CD2 4.45Å; T470-L474 PolarHBondContact O-N 3.13Å; E471-L474 PolarHBondContact O-N 3.15Å; L474-L477 PolarHBondContact O-N 2.93Å; L474-S478 PolarHBondContact O-N 3.13Å; L474-W639 HydrophobicContact CB-CH2 3.63Å; L474-W639 HydrophobicContact CB-CZ2 3.68Å
475	T	92.9	Very high	93.8	Very high	10 Å²	10	13.8 Å²	13.8	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-62.4	-47.1	176.1	-56.8	0	0	0	0	111.4	E471 A472 L477 S478 D479 W639	E471-T475 PolarHBondContact O-N 3.44Å; E471-T475 PolarHBondContact O-OG1 3.5Å; E471-T475 VanDerWaalsContact O-OG1 3.12Å; A472-T475 PolarHBondContact O-N 2.9Å; T475-L477 VanDerWaalsContact C-N 3.33Å; T475-L477 PolarHBondContact O-N 3.26Å; T475-S478 WeakPolarHBondContact O-CB 3.4Å; T475-S478 PolarHBondContact O-N 3.15Å; T475-D479 PolarHBondContact O-N 3.2Å; T475-W639 WeakPolarHBondContact OG1-CZ2 3.4Å
476	V	93.1	Very high	93.7	Very high	13 Å²	13	13.1 Å²	13.1	8%	0.079	7%	0.07	C	C	.	.	H	α-helix	trans	-61.6	-41.2	177.2	162.2	0	0	0	0	111.6	F89 A472 Y473 S478 D479 S480 W526 F530 F538	F89-V476 HydrophobicContact CD1-CG2 4.42Å; F89-V476 HydrophobicContact CE1-CG2 4.25Å; A472-V476 WeakPolarHBondContact O-CB 3.3Å; A472-V476 WeakPolarHBondContact O-CG2 3.39Å; A472-V476 PolarHBondContact O-N 3.46Å; Y473-V476 PolarHBondContact O-N 2.89Å; V476-S478 VanDerWaalsContact C-N 3.31Å; V476-S478 PolarHBondContact O-N 2.93Å; V476-D479 PolarHBondContact O-N 3.12Å; V476-S480 PolarHBondContact O-N 2.93Å; V476-S480 PolarHBondContact O-OG 3.12Å; V476-W526 HydrophobicContact CG1-CE3 4.42Å; V476-W526 HydrophobicContact CG1-CH2 4.21Å; V476-W526 HydrophobicContact CG1-CZ3 3.69Å; V476-F530 HydrophobicContact CB-CZ 4.35Å; V476-F530 HydrophobicContact CG1-CD2 4.32Å; V476-F530 HydrophobicContact CG1-CE2 3.26Å; V476-F530 HydrophobicContact CG1-CZ 3.43Å; V476-F530 VanDerWaalsContact CG1-CZ 3.43Å; V476-F530 HydrophobicContact CG2-CZ 3.95Å; V476-F538 HydrophobicContact CB-CE1 4.23Å; V476-F538 HydrophobicContact CG1-CE1 4.07Å; V476-F538 HydrophobicContact CG1-CZ 3.97Å; V476-F538 HydrophobicContact CG2-CE1 4.23Å
477	L	95.9	Very high	93.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-39.8	176.4	-175.9	63.2	0	0	0	112	F416 F449 L453 Y473 L474 T475 S480 F489 V523 W524 W526	F416-L477 HydrophobicContact CD1-CD2 4.47Å; F416-L477 HydrophobicContact CE1-CD2 3.69Å; F449-L477 HydrophobicContact CE1-CD2 4.42Å; F449-L477 HydrophobicContact CE1-CG 4.32Å; F449-L477 HydrophobicContact CZ-CD2 4.19Å; L453-L477 HydrophobicContact CD2-CD2 4.08Å; Y473-L477 WeakPolarHBondContact O-CB 3.5Å; Y473-L477 PolarHBondContact O-N 3.32Å; L474-L477 PolarHBondContact O-N 2.93Å; T475-L477 VanDerWaalsContact C-N 3.33Å; T475-L477 PolarHBondContact O-N 3.26Å; L477-S480 PolarHBondContact O-N 3.28Å; L477-F489 HydrophobicContact CD1-CE2 3.73Å; L477-F489 HydrophobicContact CD1-CZ 3.77Å; L477-F489 HydrophobicContact CG-CE2 4.37Å; L477-F489 HydrophobicContact CG-CZ 4.26Å; L477-V523 HydrophobicContact CD1-CG1 4.16Å; L477-W524 HydrophobicContact CD1-CH2 4.05Å; L477-W524 HydrophobicContact CD1-CZ3 3.61Å; L477-W526 HydrophobicContact CB-CH2 4.46Å; L477-W526 HydrophobicContact CD1-CH2 3.87Å; L477-W526 HydrophobicContact CD1-CZ2 4.07Å
478	S	95.2	Very high	93.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-41.7	173.2	-171.8	0	0	0	0	111.8	L474 T475 V476 S480 M481 W482 F642	L474-S478 PolarHBondContact O-N 3.13Å; T475-S478 WeakPolarHBondContact O-CB 3.4Å; T475-S478 PolarHBondContact O-N 3.15Å; V476-S478 VanDerWaalsContact C-N 3.31Å; V476-S478 PolarHBondContact O-N 2.93Å; S478-S480 VanDerWaalsContact C-N 3.31Å; S478-S480 PolarHBondContact O-N 2.7Å; S478-M481 VanDerWaalsContact O-CB 3.29Å; S478-M481 WeakPolarHBondContact O-CB 3.42Å; S478-M481 WeakPolarHBondContact O-CG 3.44Å; S478-M481 PolarHBondContact O-N 3.12Å; S478-W482 PolarHBondContact O-NE1 3.47Å; S478-F642 WeakPolarHBondContact OG-CE2 3.49Å
479	D	92.9	Very high	93.3	Very high	42 Å²	42	13 Å²	13	23%	0.225	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-36.9	177.4	-71.1	-26.6	0	0	0	112.5	T475 V476 M481 W482 R645	T475-D479 PolarHBondContact O-N 3.2Å; V476-D479 PolarHBondContact O-N 3.12Å; D479-M481 PolarHBondContact O-N 2.87Å; D479-M481 VanDerWaalsContact O-N 3.17Å; D479-W482 PolarHBondContact O-N 3.22Å; D479-R645 IonicContact OD1-CZ 3.95Å; D479-R645 VanDerWaalsContact OD1-CZ 3.26Å; D479-R645 IonicContact OD1-NH1 3.59Å; D479-R645 PolarHBondContact OD1-NH1 3.15Å; D479-R645 IonicContact OD1-NH2 2.84Å; D479-R645 PolarHBondContact OD1-NH2 3.45Å; D479-R645 IonicContact OD2-CZ 3.06Å; D479-R645 IonicContact OD2-NH1 2.86Å; D479-R645 PolarHBondContact OD2-NH1 2.96Å; D479-R645 IonicContact OD2-NH2 3.7Å
480	S	93.9	Very high	93.1	Very high	4 Å²	4	13 Å²	13	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-20	177.8	-63.1	0	0	0	0	113.6	V476 L477 S478 W482 I483 Q529	V476-S480 PolarHBondContact O-N 2.93Å; V476-S480 PolarHBondContact O-OG 3.12Å; L477-S480 PolarHBondContact O-N 3.28Å; S478-S480 VanDerWaalsContact C-N 3.31Å; S478-S480 PolarHBondContact O-N 2.7Å; S480-W482 PolarHBondContact O-N 3.17Å; S480-I483 PolarHBondContact O-N 2.71Å; S480-Q529 PolarHBondContact OG-OE1 3.01Å
481	M	94.2	Very high	93.2	Very high	9 Å²	9	12.3 Å²	12.3	4%	0.044	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-30	171.6	-62.6	168.2	61.2	0	0	111.8	C435 H437 F449 S478 D479 I483 F489	C435-M481 WeakPolarHBondContact SG-CE 3.48Å; H437-M481 PolarHBondContact CE1-O 2.9Å; H437-M481 PolarHBondContact NE2-O 3.04Å; F449-M481 HydrophobicContact CB-CE 4.31Å; F449-M481 HydrophobicContact CB-SD 4.49Å; F449-M481 HydrophobicContact CD1-CE 4.33Å; F449-M481 HydrophobicContact CD1-CG 4.24Å; F449-M481 HydrophobicContact CD1-SD 3.53Å; F449-M481 VanDerWaalsContact CD1-SD 3.53Å; F449-M481 HydrophobicContact CE1-SD 4.26Å; F449-M481 HydrophobicContact CG-SD 4.45Å; S478-M481 VanDerWaalsContact O-CB 3.29Å; S478-M481 WeakPolarHBondContact O-CB 3.42Å; S478-M481 WeakPolarHBondContact O-CG 3.44Å; S478-M481 PolarHBondContact O-N 3.12Å; D479-M481 PolarHBondContact O-N 2.87Å; D479-M481 VanDerWaalsContact O-N 3.17Å; M481-I483 VanDerWaalsContact C-N 3.32Å; M481-F489 HydrophobicContact CB-CD2 4.38Å; M481-F489 HydrophobicContact CG-CB 4.41Å; M481-F489 HydrophobicContact CG-CD2 3.8Å; M481-F489 HydrophobicContact CG-CE2 4.21Å; M481-F489 HydrophobicContact CG-CG 4.09Å
482	W	93.6	Very high	93.4	Very high	24 Å²	24	10.3 Å²	10.3	9%	0.091	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.6	-175.6	-43.3	115.8	0	0	0	113.2	S100 T102 C103 K138 C435 H437 S478 D479 S480	S100-W482 VanDerWaalsContact CB-O 3.3Å; S100-W482 WeakPolarHBondContact CB-O 3.44Å; S100-W482 PolarHBondContact OG-O 3.44Å; T102-W482 PolarHBondContact OG1-O 3.09Å; C103-W482 HydrophobicContact CB-CB 3.73Å; C103-W482 HydrophobicContact CB-CG 4.34Å; K138-W482 HydrophobicContact CB-CD2 3.98Å; K138-W482 HydrophobicContact CB-CE3 4.09Å; K138-W482 HydrophobicContact CB-CH2 4Å; K138-W482 HydrophobicContact CB-CZ2 3.87Å; K138-W482 HydrophobicContact CB-CZ3 4.11Å; K138-W482 HydrophobicContact CD-CD2 4.34Å; K138-W482 HydrophobicContact CD-CE3 3.6Å; K138-W482 HydrophobicContact CD-CH2 3.69Å; K138-W482 HydrophobicContact CD-CZ2 4.4Å; K138-W482 HydrophobicContact CD-CZ3 3.22Å; K138-W482 HydrophobicContact CG-CE3 4.45Å; K138-W482 HydrophobicContact CG-CH2 4.45Å; K138-W482 HydrophobicContact CG-CZ3 4.29Å; C435-W482 HydrophobicContact CB-CH2 4.37Å; C435-W482 HydrophobicContact CB-CZ3 3.76Å; H437-W482 AromaticContact CE1-CE3 3.9Å; S478-W482 PolarHBondContact O-NE1 3.47Å; D479-W482 PolarHBondContact O-N 3.22Å; S480-W482 PolarHBondContact O-N 3.17Å
483	I	93	Very high	93.5	Very high	12 Å²	12	10 Å²	10	6%	0.062	6%	0.055	C	C	.	.			trans	-112.3	103	180	-54.3	179.1	0	0	0	108.3	F72 L94 S480 M481 L485 F486	F72-I483 HydrophobicContact CZ-CG2 4.45Å; L94-I483 HydrophobicContact CD1-CD1 3.95Å; L94-I483 HydrophobicContact CD1-CG1 4.15Å; S480-I483 PolarHBondContact O-N 2.71Å; M481-I483 VanDerWaalsContact C-N 3.32Å; I483-L485 HydrophobicContact CG2-CB 4.04Å; I483-L485 HydrophobicContact CG2-CD1 3.96Å; I483-L485 HydrophobicContact CG2-CG 3.95Å; I483-L485 PolarHBondContact O-N 3.37Å; I483-F486 HydrophobicContact CB-CD2 4.47Å; I483-F486 HydrophobicContact CB-CE2 4.48Å; I483-F486 HydrophobicContact CG2-CD2 4.29Å; I483-F486 HydrophobicContact CG2-CE2 4.01Å
484	P	90.8	Very high	93.4	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.032	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	40.7	-170.8	36.2	-36.6	0	0	0	111.6	T102 L174 G176 L490	T102-P484 HydrophobicContact CG2-CB 4.15Å; T102-P484 HydrophobicContact CG2-CG 3.89Å; T102-P484 VanDerWaalsContact OG1-CD 3.32Å; T102-P484 WeakPolarHBondContact OG1-CD 3.13Å; L174-P484 HydrophobicContact CB-CB 4.41Å; L174-P484 HydrophobicContact CD1-CB 4.22Å; L174-P484 HydrophobicContact CD2-CB 4.43Å; G176-P484 WeakPolarHBondContact CA-O 3.32Å; G176-P484 PolarHBondContact N-O 3.39Å; P484-L490 HydrophobicContact CB-CD1 4.11Å
485	L	90.6	Very high	93.2	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-12.6	178.9	-63.8	-179	0	0	0	112.3	L37 F72 L93 F175 Y179 I483	L37-L485 HydrophobicContact CD1-CD1 4.04Å; F72-L485 HydrophobicContact CE2-CD1 4.06Å; F72-L485 HydrophobicContact CE2-CG 4.17Å; F72-L485 HydrophobicContact CZ-CD1 3.83Å; F72-L485 HydrophobicContact CZ-CG 4.43Å; L93-L485 HydrophobicContact CD1-CD1 3.83Å; F175-L485 HydrophobicContact CD1-CD2 3.57Å; F175-L485 HydrophobicContact CE1-CD2 3.89Å; Y179-L485 HydrophobicContact CD1-CD2 3.78Å; Y179-L485 HydrophobicContact CE1-CD2 4.47Å; Y179-L485 HydrophobicContact CG-CD2 3.96Å; I483-L485 HydrophobicContact CG2-CB 4.04Å; I483-L485 HydrophobicContact CG2-CD1 3.96Å; I483-L485 HydrophobicContact CG2-CG 3.95Å; I483-L485 PolarHBondContact O-N 3.37Å
486	F	90.9	Very high	93.1	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.026	8%	0.081	C	C	.	.			trans	-116.7	140.7	-176.3	-55.9	-74.2	0	0	0	111.1	L93 I483 T488 L490 P521 V523 Q528 Q529	L93-F486 HydrophobicContact CD1-CE2 4.07Å; L93-F486 HydrophobicContact CD1-CZ 3.76Å; I483-F486 HydrophobicContact CB-CD2 4.47Å; I483-F486 HydrophobicContact CB-CE2 4.48Å; I483-F486 HydrophobicContact CG2-CD2 4.29Å; I483-F486 HydrophobicContact CG2-CE2 4.01Å; F486-T488 PolarHBondContact O-N 2.75Å; F486-L490 WeakPolarHBondContact O-CB 3.49Å; F486-P521 CarbonylContact C-O 3.52Å; F486-P521 WeakPolarHBondContact CA-O 3.21Å; F486-P521 HydrophobicContact CD1-CB 4.32Å; F486-P521 HydrophobicContact CD1-CG 3.93Å; F486-P521 HydrophobicContact CE1-CG 4.13Å; F486-V523 HydrophobicContact CB-CB 4.17Å; F486-V523 HydrophobicContact CD2-CG2 4.49Å; F486-V523 HydrophobicContact CG-CB 4.32Å; F486-V523 HydrophobicContact CG-CG2 4.48Å; F486-Q528 HydrophobicContact CE1-CB 4.45Å; F486-Q529 HydrophobicContact CE1-CG 4.2Å; F486-Q529 HydrophobicContact CE2-CG 3.65Å; F486-Q529 VanDerWaalsContact CZ-CD 3.46Å; F486-Q529 HydrophobicContact CZ-CG 3.27Å
487	S	89.6	Confident	93	Very high	25 Å²	25	15.9 Å²	15.9	18%	0.175	9%	0.085	C	C	.	.	S	Bend	trans	-71.6	-28.7	-177.3	42.7	0	0	0	0	113.7	F489 L490 F520 P521	S487-F489 VanDerWaalsContact C-N 3.26Å; S487-F489 PolarHBondContact O-N 3.28Å; S487-F489 VanDerWaalsContact O-N 3.14Å; S487-L490 PolarHBondContact O-N 3.12Å; S487-F520 PolarHBondContact OG-O 2.8Å; S487-P521 PolarHBondContact N-O 3.02Å; S487-P521 PolarHBondContact OG-O 3.43Å
488	T	93.1	Very high	92.5	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-38.9	-169.3	-51.6	0	0	0	0	113.4	V425 F486 P522 V523 W524	V425-T488 HydrophobicContact CG2-CG2 3.72Å; V425-T488 WeakPolarHBondContact CG2-O 3.38Å; F486-T488 PolarHBondContact O-N 2.75Å; T488-P522 WeakPolarHBondContact OG1-CA 3.4Å; T488-V523 HydrophobicContact CG2-CG1 3.76Å; T488-V523 PolarHBondContact OG1-N 2.79Å; T488-W524 HydrophobicContact CG2-CH2 4.31Å; T488-W524 HydrophobicContact CG2-CZ2 3.68Å
489	F	95.1	Very high	92.2	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.031	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	18.8	-175.3	-53.5	-48.1	0	0	0	113.7	V420 F431 F449 L477 M481 S487 V523 W524	V420-F489 HydrophobicContact CG1-CE1 4Å; V420-F489 HydrophobicContact CG1-CZ 4.29Å; F431-F489 WeakPolarHBondContact CB-O 3.48Å; F431-F489 HydrophobicContact CD1-CB 4.08Å; F431-F489 AromaticContact CD1-CD1 3.77Å; F431-F489 HydrophobicContact CD1-CD1 3.77Å; F431-F489 HydrophobicContact CD1-CG 4.3Å; F431-F489 HydrophobicContact CD2-CD1 4.19Å; F431-F489 AromaticContact CE1-CD1 3.38Å; F431-F489 HydrophobicContact CE1-CD1 3.38Å; F431-F489 AromaticContact CE1-CE1 3.88Å; F431-F489 HydrophobicContact CE1-CE1 3.88Å; F431-F489 HydrophobicContact CE1-CG 4.25Å; F431-F489 AromaticContact CE2-CD1 3.84Å; F431-F489 HydrophobicContact CE2-CD1 3.84Å; F431-F489 HydrophobicContact CE2-CE1 4.31Å; F431-F489 HydrophobicContact CG-CB 4.27Å; F431-F489 HydrophobicContact CG-CD1 4.17Å; F431-F489 AromaticContact CZ-CD1 3.42Å; F431-F489 HydrophobicContact CZ-CD1 3.42Å; F431-F489 VanDerWaalsContact CZ-CD1 3.42Å; F431-F489 AromaticContact CZ-CE1 3.67Å; F431-F489 HydrophobicContact CZ-CE1 3.67Å; F449-F489 AromaticContact CE1-CE1 3.89Å; F449-F489 HydrophobicContact CE1-CE1 3.89Å; F449-F489 HydrophobicContact CE1-CE2 4.39Å; F449-F489 AromaticContact CE1-CZ 3.69Å; F449-F489 HydrophobicContact CE1-CZ 3.69Å; F449-F489 HydrophobicContact CE2-CE1 4.33Å; F449-F489 AromaticContact CZ-CE1 3.75Å; F449-F489 HydrophobicContact CZ-CE1 3.75Å; F449-F489 AromaticContact CZ-CZ 3.71Å; F449-F489 HydrophobicContact CZ-CZ 3.71Å; L477-F489 HydrophobicContact CD1-CE2 3.73Å; L477-F489 HydrophobicContact CD1-CZ 3.77Å; L477-F489 HydrophobicContact CG-CE2 4.37Å; L477-F489 HydrophobicContact CG-CZ 4.26Å; M481-F489 HydrophobicContact CB-CD2 4.38Å; M481-F489 HydrophobicContact CG-CB 4.41Å; M481-F489 HydrophobicContact CG-CD2 3.8Å; M481-F489 HydrophobicContact CG-CE2 4.21Å; M481-F489 HydrophobicContact CG-CG 4.09Å; S487-F489 VanDerWaalsContact C-N 3.26Å; S487-F489 PolarHBondContact O-N 3.28Å; S487-F489 VanDerWaalsContact O-N 3.14Å; F489-V523 HydrophobicContact CE2-CG1 4.07Å; F489-V523 HydrophobicContact CE2-CG2 4.5Å; F489-V523 HydrophobicContact CZ-CG1 4.41Å; F489-W524 HydrophobicContact CZ-CH2 4.48Å
490	L	92.7	Very high	91.8	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-20.9	-171.1	-173.9	58.8	0	0	0	114.3	L171 L174 P484 F486 S487 F520	L171-L490 HydrophobicContact CD1-CD1 4.39Å; L174-L490 HydrophobicContact CD1-CD1 3.66Å; P484-L490 HydrophobicContact CB-CD1 4.11Å; F486-L490 WeakPolarHBondContact O-CB 3.49Å; S487-L490 PolarHBondContact O-N 3.12Å; L490-F520 HydrophobicContact CD2-CD1 3.9Å; L490-F520 HydrophobicContact CD2-CE1 3.61Å; L490-F520 HydrophobicContact CD2-CZ 4.29Å
491	F	94.3	Very high	91.2	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.057	12%	0.123	C	C	.	.			trans	-124	160.6	-170.8	-54	-80	0	0	0	111.9	L171 F177 C497 L500	L171-F491 HydrophobicContact CD2-CD1 3.82Å; L171-F491 HydrophobicContact CD2-CE1 3.47Å; L171-F491 VanDerWaalsContact CD2-CE1 3.47Å; F177-F491 HydrophobicContact CZ-CE1 4.39Å; F177-F491 HydrophobicContact CZ-CZ 4.49Å; F491-C497 HydrophobicContact CB-CB 4.12Å; F491-C497 HydrophobicContact CD1-CB 4.2Å; F491-C497 HydrophobicContact CD2-CB 3.67Å; F491-C497 HydrophobicContact CE2-CB 4.08Å; F491-C497 VanDerWaalsContact CE2-SG 3.52Å; F491-C497 HydrophobicContact CG-CB 3.73Å; F491-L500 HydrophobicContact CD1-CD1 4.03Å; F491-L500 HydrophobicContact CE1-CB 4.43Å; F491-L500 HydrophobicContact CE1-CD1 3.93Å
492	N	95.4	Very high	90.7	Very high	16 Å²	16	27.6 Å²	27.6	9%	0.086	14%	0.143	C	C	.	.	S	Bend	trans	-86.6	-24.4	176.7	-71.6	-29.7	0	0	0	113.5	R392 G428 R430 L432 D433	R392-N492 PolarHBondContact NH2-O 3.14Å; G428-N492 CarbonylContact C-O 3.57Å; R430-N492 WeakPolarHBondContact CA-OD1 3.47Å; R430-N492 HydrophobicContact CB-CB 4.45Å; R430-N492 WeakPolarHBondContact CB-OD1 3.22Å; R430-N492 HydrophobicContact CG-CB 4.38Å; R430-N492 PolarHBondContact O-OD1 2.99Å; L432-N492 WeakPolarHBondContact CB-OD1 3.39Å; L432-N492 PolarHBondContact N-OD1 3.06Å; L432-N492 VanDerWaalsContact N-OD1 3.13Å; D433-N492 VanDerWaalsContact CG-ND2 3.28Å; D433-N492 PolarHBondContact N-OD1 3.19Å; D433-N492 VanDerWaalsContact N-OD1 3.12Å; D433-N492 PolarHBondContact OD1-ND2 3.1Å
493	S	94.6	Very high	90.2	Very high	16 Å²	16	29.3 Å²	29.3	11%	0.112	15%	0.154	C	C	.	.	S	Bend	trans	-156	164.4	176.8	73.8	0	0	0	0	111.8	E237 K495 Q496 C497	E237-S493 PolarHBondContact O-OG 3.21Å; S493-K495 VanDerWaalsContact C-N 3.3Å; S493-K495 PolarHBondContact O-N 2.73Å; S493-K495 PolarHBondContact OG-N 2.88Å; S493-Q496 PolarHBondContact O-N 3.3Å; S493-Q496 PolarHBondContact OG-N 3.47Å; S493-C497 PolarHBondContact O-N 3.38Å; S493-C497 VanDerWaalsContact O-N 3.11Å
494	S	91.6	Very high	89.7	Confident	25 Å²	25	29 Å²	29	18%	0.175	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-42	172.9	176	0	0	0	0	111.6	Y233 Q496 C497 T498	Y233-S494 PolarHBondContact OH-O 3.34Å; Y233-S494 PolarHBondContact OH-OG 2.95Å; S494-Q496 PolarHBondContact O-N 3.32Å; S494-C497 WeakPolarHBondContact O-CB 3.45Å; S494-C497 PolarHBondContact O-N 3.35Å; S494-T498 PolarHBondContact O-N 3.47Å; S494-T498 PolarHBondContact O-OG1 2.91Å; S494-T498 VanDerWaalsContact O-OG1 3.1Å
495	K	93.1	Very high	89.1	Confident	42 Å²	42	29.4 Å²	29.4	18%	0.183	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-49.5	175.7	-173	-174.6	-179.8	-172.2	0	112.2	Y233 E237 S493 C497 T498 Q499	Y233-K495 HydrophobicContact CD1-CB 3.7Å; Y233-K495 HydrophobicContact CD1-CG 4.33Å; Y233-K495 HydrophobicContact CD2-CB 3.74Å; Y233-K495 HydrophobicContact CD2-CD 4.1Å; Y233-K495 HydrophobicContact CD2-CG 3.54Å; Y233-K495 HydrophobicContact CE1-CB 3.78Å; Y233-K495 HydrophobicContact CE2-CB 3.82Å; Y233-K495 HydrophobicContact CE2-CG 3.91Å; Y233-K495 HydrophobicContact CG-CB 3.65Å; Y233-K495 HydrophobicContact CG-CD 3.97Å; Y233-K495 HydrophobicContact CG-CG 3.75Å; Y233-K495 VanDerWaalsContact CZ-CA 3.45Å; Y233-K495 PolarHBondContact OH-N 3.42Å; E237-K495 HydrophobicContact CB-CD 3.73Å; E237-K495 HydrophobicContact CG-CD 3.94Å; E237-K495 WeakPolarHBondContact O-CB 3.41Å; E237-K495 IonicContact OE1-NZ 3.97Å; E237-K495 PolarHBondContact OE1-NZ 2.9Å; E237-K495 IonicContact OE2-NZ 3.34Å; E237-K495 PolarHBondContact OE2-NZ 3.19Å; S493-K495 VanDerWaalsContact C-N 3.3Å; S493-K495 PolarHBondContact O-N 2.73Å; S493-K495 PolarHBondContact OG-N 2.88Å; K495-C497 VanDerWaalsContact C-N 3.3Å; K495-C497 PolarHBondContact O-N 3.29Å; K495-T498 PolarHBondContact O-N 2.88Å; K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 PolarHBondContact O-N 2.91Å
496	Q	92.4	Very high	88.7	Confident	56 Å²	56	36.1 Å²	36.1	26%	0.262	19%	0.185	S	C	.	.	H	α-helix	trans	-59.9	-43.2	-178.8	-171	-171.6	44.2	0	0	111	S493 S494 L500	S493-Q496 PolarHBondContact O-N 3.3Å; S493-Q496 PolarHBondContact OG-N 3.47Å; S494-Q496 PolarHBondContact O-N 3.32Å; Q496-L500 HydrophobicContact CG-CD1 3.75Å; Q496-L500 HydrophobicContact CG-CG 4.5Å; Q496-L500 WeakPolarHBondContact O-CB 3.14Å; Q496-L500 WeakPolarHBondContact O-CD1 3.44Å; Q496-L500 VanDerWaalsContact O-CG 3.27Å; Q496-L500 WeakPolarHBondContact O-CG 3.42Å; Q496-L500 PolarHBondContact O-N 3.42Å; Q496-L500 VanDerWaalsContact O-N 3.08Å
497	C	89.3	Confident	88.2	Confident	24 Å²	24	40 Å²	40	16%	0.162	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-56.3	174.2	-178.8	0	0	0	0	110.9	F491 S493 S494 K495 Q499 L500 L501	F491-C497 HydrophobicContact CB-CB 4.12Å; F491-C497 HydrophobicContact CD1-CB 4.2Å; F491-C497 HydrophobicContact CD2-CB 3.67Å; F491-C497 HydrophobicContact CE2-CB 4.08Å; F491-C497 VanDerWaalsContact CE2-SG 3.52Å; F491-C497 HydrophobicContact CG-CB 3.73Å; S493-C497 PolarHBondContact O-N 3.38Å; S493-C497 VanDerWaalsContact O-N 3.11Å; S494-C497 WeakPolarHBondContact O-CB 3.45Å; S494-C497 PolarHBondContact O-N 3.35Å; K495-C497 VanDerWaalsContact C-N 3.3Å; K495-C497 PolarHBondContact O-N 3.29Å; C497-Q499 VanDerWaalsContact C-N 3.34Å; C497-Q499 PolarHBondContact O-N 3.35Å; C497-L500 PolarHBondContact O-N 3.32Å; C497-L501 VanDerWaalsContact O-CG 3.27Å; C497-L501 WeakPolarHBondContact O-CG 3.45Å; C497-L501 PolarHBondContact O-N 2.94Å
498	T	86.2	Confident	87.5	Confident	52 Å²	52	42.8 Å²	42.8	32%	0.319	22%	0.222	S	C	.	.	H	α-helix	trans	-56.9	-46.2	-178.2	-60.2	0	0	0	0	112.1	Y233 S494 K495 L501 Q502	Y233-T498 PolarHBondContact OH-OG1 3.49Å; S494-T498 PolarHBondContact O-N 3.47Å; S494-T498 PolarHBondContact O-OG1 2.91Å; S494-T498 VanDerWaalsContact O-OG1 3.1Å; K495-T498 PolarHBondContact O-N 2.88Å; T498-L501 PolarHBondContact O-N 2.91Å; T498-Q502 VanDerWaalsContact O-CG 3.28Å; T498-Q502 WeakPolarHBondContact O-CG 3.36Å; T498-Q502 PolarHBondContact O-N 3.32Å
499	Q	88.1	Confident	86.6	Confident	99 Å²	99	46.7 Å²	46.7	46%	0.463	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-47.6	-179.1	-176.1	169.9	-0.3	0	0	111.9	K495 C497 L501 Q502 D503	K495-Q499 WeakPolarHBondContact O-CB 3.47Å; K495-Q499 PolarHBondContact O-N 2.91Å; C497-Q499 VanDerWaalsContact C-N 3.34Å; C497-Q499 PolarHBondContact O-N 3.35Å; Q499-L501 VanDerWaalsContact C-N 3.33Å; Q499-L501 PolarHBondContact O-N 2.97Å; Q499-Q502 WeakPolarHBondContact O-CB 3.49Å; Q499-Q502 PolarHBondContact O-N 2.62Å; Q499-D503 PolarHBondContact O-N 3.14Å
500	L	85.4	Confident	85.4	Confident	28 Å²	28	46.9 Å²	46.9	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-34.9	-179.3	-71.7	169	0	0	0	112.6	L171 F491 Q496 C497 F504	L171-L500 HydrophobicContact CD2-CD1 3.42Å; L171-L500 VanDerWaalsContact CD2-CD1 3.42Å; F491-L500 HydrophobicContact CD1-CD1 4.03Å; F491-L500 HydrophobicContact CE1-CB 4.43Å; F491-L500 HydrophobicContact CE1-CD1 3.93Å; Q496-L500 HydrophobicContact CG-CD1 3.75Å; Q496-L500 HydrophobicContact CG-CG 4.5Å; Q496-L500 WeakPolarHBondContact O-CB 3.14Å; Q496-L500 WeakPolarHBondContact O-CD1 3.44Å; Q496-L500 VanDerWaalsContact O-CG 3.27Å; Q496-L500 WeakPolarHBondContact O-CG 3.42Å; Q496-L500 PolarHBondContact O-N 3.42Å; Q496-L500 VanDerWaalsContact O-N 3.08Å; C497-L500 PolarHBondContact O-N 3.32Å; L500-F504 WeakPolarHBondContact O-CB 3.47Å; L500-F504 PolarHBondContact O-N 3.39Å
501	L	81.6	Confident	84	Confident	21 Å²	21	50 Å²	50	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-38.3	173.7	-66	179.2	0	0	0	112.1	F177 C497 T498 Q499 A505 F520	F177-L501 HydrophobicContact CE1-CD2 4.47Å; C497-L501 VanDerWaalsContact O-CG 3.27Å; C497-L501 WeakPolarHBondContact O-CG 3.45Å; C497-L501 PolarHBondContact O-N 2.94Å; T498-L501 PolarHBondContact O-N 2.91Å; Q499-L501 VanDerWaalsContact C-N 3.33Å; Q499-L501 PolarHBondContact O-N 2.97Å; L501-A505 WeakPolarHBondContact O-CB 3.31Å; L501-A505 PolarHBondContact O-N 2.9Å; L501-F520 HydrophobicContact CD2-CD2 3.39Å; L501-F520 HydrophobicContact CD2-CE2 3.56Å
502	Q	83	Confident	82.3	Confident	100 Å²	100	55.9 Å²	55.9	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-45.5	174.5	-74.1	175.7	5.5	0	0	111.6	T498 Q499 A505 K506	T498-Q502 VanDerWaalsContact O-CG 3.28Å; T498-Q502 WeakPolarHBondContact O-CG 3.36Å; T498-Q502 PolarHBondContact O-N 3.32Å; Q499-Q502 WeakPolarHBondContact O-CB 3.49Å; Q499-Q502 PolarHBondContact O-N 2.62Å; Q502-A505 PolarHBondContact O-N 3.49Å; Q502-K506 WeakPolarHBondContact O-CG 3.17Å; Q502-K506 PolarHBondContact O-N 2.88Å
503	D	83.9	Confident	80.3	Confident	60 Å²	60	56.8 Å²	56.8	32%	0.321	33%	0.328	S	S	.	.	H	α-helix	trans	-67.8	-38.5	179.9	-67.5	-21.1	0	0	0	111.5	Q499 K506 S507	Q499-D503 PolarHBondContact O-N 3.14Å; D503-K506 PolarHBondContact O-N 3.39Å; D503-K506 IonicContact OD1-NZ 2.71Å; D503-K506 PolarHBondContact OD1-NZ 3.2Å; D503-S507 PolarHBondContact O-N 3.06Å
504	F	81.7	Confident	78	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-49.8	170.8	176.9	-104.8	0	0	0	112	F177 L500 K506 S507 K508 I510 A518	F177-F504 HydrophobicContact CB-CD2 4.08Å; F177-F504 HydrophobicContact CB-CE2 3.8Å; F177-F504 HydrophobicContact CB-CZ 4.4Å; F177-F504 HydrophobicContact CD1-CB 3.99Å; F177-F504 HydrophobicContact CD1-CD1 4.32Å; F177-F504 AromaticContact CD1-CD2 3.56Å; F177-F504 HydrophobicContact CD1-CD2 3.56Å; F177-F504 HydrophobicContact CD1-CE2 4.08Å; F177-F504 AromaticContact CD1-CG 3.69Å; F177-F504 HydrophobicContact CD1-CG 3.69Å; F177-F504 HydrophobicContact CE1-CB 4.12Å; F177-F504 HydrophobicContact CE1-CD2 4.48Å; F177-F504 HydrophobicContact CE1-CG 4.29Å; F177-F504 HydrophobicContact CG-CD2 4.25Å; F177-F504 HydrophobicContact CG-CE2 4.43Å; F177-F504 WeakPolarHBondContact O-CZ 3.47Å; L500-F504 WeakPolarHBondContact O-CB 3.47Å; L500-F504 PolarHBondContact O-N 3.39Å; F504-K506 VanDerWaalsContact C-N 3.31Å; F504-K506 PolarHBondContact O-N 3.13Å; F504-S507 PolarHBondContact O-N 2.93Å; F504-S507 VanDerWaalsContact O-N 3.13Å; F504-S507 PolarHBondContact O-OG 3.48Å; F504-K508 HydrophobicContact CD2-CG 4.21Å; F504-K508 HydrophobicContact CE1-CG 4.32Å; F504-K508 HydrophobicContact CE2-CD 4.38Å; F504-K508 HydrophobicContact CE2-CG 3.68Å; F504-K508 HydrophobicContact CZ-CG 3.74Å; F504-K508 PolarHBondContact O-N 2.89Å; F504-I510 HydrophobicContact CE1-CD1 4.19Å; F504-A518 HydrophobicContact CD1-CB 4.21Å; F504-A518 HydrophobicContact CE1-CB 4.11Å
505	A	78.7	Confident	75.7	Confident	12 Å²	12	70.8 Å²	70.8	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-58.6	-42.5	179.4	0	0	0	0	0	112	L501 Q502 K508 A509 I510	L501-A505 WeakPolarHBondContact O-CB 3.31Å; L501-A505 PolarHBondContact O-N 2.9Å; Q502-A505 PolarHBondContact O-N 3.49Å; A505-K508 PolarHBondContact O-N 2.79Å; A505-A509 PolarHBondContact O-N 3.42Å; A505-I510 HydrophobicContact CB-CB 4.21Å; A505-I510 PolarHBondContact O-N 2.87Å
506	K	81.4	Confident	73.8	Confident	144 Å²	144	73 Å²	73	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-60.4	-48.4	173.7	-69.1	168.9	-166.6	160.6	0	111.5	Q502 D503 F504 K508 A509	Q502-K506 WeakPolarHBondContact O-CG 3.17Å; Q502-K506 PolarHBondContact O-N 2.88Å; D503-K506 PolarHBondContact O-N 3.39Å; D503-K506 IonicContact OD1-NZ 2.71Å; D503-K506 PolarHBondContact OD1-NZ 3.2Å; F504-K506 VanDerWaalsContact C-N 3.31Å; F504-K506 PolarHBondContact O-N 3.13Å; K506-K508 VanDerWaalsContact C-N 3.3Å; K506-K508 PolarHBondContact O-N 3.22Å; K506-A509 PolarHBondContact O-N 2.85Å; K506-A509 VanDerWaalsContact O-N 3.12Å
507	S	81.2	Confident	71.9	Confident	89 Å²	89	74 Å²	74	62%	0.622	42%	0.415	S	S	*	.	H	α-helix	trans	-62.7	-33.9	-177.5	74.3	0	0	0	0	113.6	D503 F504 A509	D503-S507 PolarHBondContact O-N 3.06Å; F504-S507 PolarHBondContact O-N 2.93Å; F504-S507 VanDerWaalsContact O-N 3.13Å; F504-S507 PolarHBondContact O-OG 3.48Å; S507-A509 VanDerWaalsContact C-N 3.34Å
508	K	74.5	Confident	70.5	Confident	83 Å²	83	72.9 Å²	72.9	36%	0.361	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.5	178.4	-66	-71.8	-169.5	166.9	0	113.1	E178 F504 A505 K506 I510	E178-K508 IonicContact OE1-NZ 2.75Å; E178-K508 IonicContact OE2-NZ 2.92Å; E178-K508 PolarHBondContact OE2-NZ 3.09Å; F504-K508 HydrophobicContact CD2-CG 4.21Å; F504-K508 HydrophobicContact CE1-CG 4.32Å; F504-K508 HydrophobicContact CE2-CD 4.38Å; F504-K508 HydrophobicContact CE2-CG 3.68Å; F504-K508 HydrophobicContact CZ-CG 3.74Å; F504-K508 PolarHBondContact O-N 2.89Å; A505-K508 PolarHBondContact O-N 2.79Å; K506-K508 VanDerWaalsContact C-N 3.3Å; K506-K508 PolarHBondContact O-N 3.22Å; K508-I510 HydrophobicContact CB-CD1 3.98Å; K508-I510 HydrophobicContact CB-CG1 3.94Å; K508-I510 PolarHBondContact O-N 3.14Å
509	A	73.6	Confident	69.6	Low	85 Å²	85	75.5 Å²	75.5	70%	0.702	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	36.3	-177	0	0	0	0	0	113.5	A505 K506 S507 P511	A505-A509 PolarHBondContact O-N 3.42Å; K506-A509 PolarHBondContact O-N 2.85Å; K506-A509 VanDerWaalsContact O-N 3.12Å; S507-A509 VanDerWaalsContact C-N 3.34Å; A509-P511 WeakPolarHBondContact O-CD 3.4Å
510	I	71.2	Confident	69.3	Low	10 Å²	10	71 Å²	71	5%	0.051	40%	0.397	C	S	.	.			trans	-77.6	116.2	176.5	-66.3	174.4	0	0	0	107.5	Y184 F504 A505 K508 A518	Y184-I510 HydrophobicContact CD1-CD1 4.05Å; Y184-I510 HydrophobicContact CD1-CG1 3.97Å; Y184-I510 HydrophobicContact CD1-CG2 4.09Å; Y184-I510 HydrophobicContact CD2-CG2 4.37Å; Y184-I510 HydrophobicContact CE1-CB 4.27Å; Y184-I510 HydrophobicContact CE1-CG1 4.01Å; Y184-I510 HydrophobicContact CE1-CG2 3.61Å; Y184-I510 HydrophobicContact CE2-CG2 3.9Å; Y184-I510 HydrophobicContact CG-CD1 4.34Å; Y184-I510 HydrophobicContact CG-CG2 4.45Å; F504-I510 HydrophobicContact CE1-CD1 4.19Å; A505-I510 HydrophobicContact CB-CB 4.21Å; A505-I510 PolarHBondContact O-N 2.87Å; K508-I510 HydrophobicContact CB-CD1 3.98Å; K508-I510 HydrophobicContact CB-CG1 3.94Å; K508-I510 PolarHBondContact O-N 3.14Å; I510-A518 HydrophobicContact CD1-CB 4.12Å
511	P	63.4	Low	69.3	Low	68 Å²	68	70 Å²	70	44%	0.442	39%	0.393	S	S	.	.			trans	-65	140.8	-176.7	24	-31.6	0	0	0	110.7	A509 G513	A509-P511 WeakPolarHBondContact O-CD 3.4Å; P511-G513 PolarHBondContact O-N 2.74Å
512	P	57.8	Low	69.7	Low	136 Å²	136	69.8 Å²	69.8	88%	0.883	39%	0.392	S	S	*	.			trans	-70.6	80	172.3	29.7	-32.8	0	0	0	109.1
513	G	53.5	Low	70.2	Confident	35 Å²	35	65 Å²	65	36%	0.361	37%	0.37	S	S	.	.			trans	-86.1	147.6	173.8	0	0	0	0	0	111.2	P511 N515 H516	P511-G513 PolarHBondContact O-N 2.74Å; G513-N515 PolarHBondContact O-N 2.79Å; G513-H516 PolarHBondContact O-N 3.42Å
514	E	46.5	Very low	70.7	Confident	195 Å²	195	62.9 Å²	62.9	91%	0.911	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.1	-174.1	-69.6	-179.7	158.3	0	0	115.7
515	N	44	Very low	71	Confident	140 Å²	140	65.4 Å²	65.4	75%	0.749	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	4.4	-177.7	-76.7	-50.4	0	0	0	116.2	G513	G513-N515 PolarHBondContact O-N 2.79Å
516	H	51.4	Low	71.6	Confident	89 Å²	89	65.3 Å²	65.3	41%	0.412	37%	0.366	S	S	.	.			trans	-140.8	59	-171.7	-58.8	87.5	0	0	0	113.6	Y184 G513	Y184-H516 HydrophobicContact CD2-CB 4.46Å; Y184-H516 HydrophobicContact CE2-CB 3.76Å; Y184-H516 WeakPolarHBondContact CE2-O 3.44Å; G513-H516 PolarHBondContact O-N 3.42Å
517	T	54.3	Low	72	Confident	76 Å²	76	62.5 Å²	62.5	47%	0.466	36%	0.364	S	S	.	.			trans	-69	144.8	161.1	-41.6	0	0	0	0	108.6	I519	T517-I519 WeakPolarHBondContact O-CG1 3.25Å; T517-I519 PolarHBondContact O-N 3.42Å
518	A	58.6	Low	72.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.008	34%	0.344	C	S	.	.			trans	-60.3	107.4	169.5	0	0	0	0	0	109	Q180 F504 I510	Q180-A518 HydrophobicContact CG-CB 4.27Å; F504-A518 HydrophobicContact CD1-CB 4.21Å; F504-A518 HydrophobicContact CE1-CB 4.11Å; I510-A518 HydrophobicContact CD1-CB 4.12Å
519	I	68.8	Low	73.1	Confident	108 Å²	108	56.5 Å²	56.5	55%	0.554	33%	0.327	S	S	*	.			trans	-111.9	122.6	-176.6	-66.4	159.2	0	0	0	108.6	Q180 T517	Q180-I519 PolarHBondContact NE2-O 3.41Å; Q180-I519 PolarHBondContact OE1-O 3.08Å; T517-I519 WeakPolarHBondContact O-CG1 3.25Å; T517-I519 PolarHBondContact O-N 3.42Å
520	F	81.2	Confident	73.9	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-66.1	123.6	166.3	-82.9	-111.5	0	0	0	109	G176 F177 Q180 S487 L490 L501	G176-F520 VanDerWaalsContact C-CZ 3.48Å; F177-F520 HydrophobicContact CB-CZ 4.46Å; F177-F520 AromaticContact CD1-CE2 3.85Å; F177-F520 HydrophobicContact CD1-CE2 3.85Å; F177-F520 AromaticContact CD1-CZ 3.85Å; F177-F520 HydrophobicContact CD1-CZ 3.85Å; F177-F520 AromaticContact CD2-CZ 3.86Å; F177-F520 HydrophobicContact CD2-CZ 3.86Å; F177-F520 AromaticContact CE1-CE2 3.81Å; F177-F520 HydrophobicContact CE1-CE2 3.81Å; F177-F520 AromaticContact CE1-CZ 3.98Å; F177-F520 HydrophobicContact CE1-CZ 3.98Å; F177-F520 AromaticContact CE2-CZ 3.95Å; F177-F520 HydrophobicContact CE2-CZ 3.95Å; F177-F520 HydrophobicContact CG-CE2 4.28Å; F177-F520 AromaticContact CG-CZ 3.81Å; F177-F520 HydrophobicContact CG-CZ 3.81Å; F177-F520 HydrophobicContact CZ-CE2 4.17Å; F177-F520 HydrophobicContact CZ-CZ 4.02Å; Q180-F520 HydrophobicContact CB-CE2 4.48Å; Q180-F520 HydrophobicContact CG-CD2 4.44Å; S487-F520 PolarHBondContact OG-O 2.8Å; L490-F520 HydrophobicContact CD2-CD1 3.9Å; L490-F520 HydrophobicContact CD2-CE1 3.61Å; L490-F520 HydrophobicContact CD2-CZ 4.29Å; L501-F520 HydrophobicContact CD2-CD2 3.39Å; L501-F520 HydrophobicContact CD2-CE2 3.56Å
521	P	85.8	Confident	74.7	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.058	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-60.7	146	178.5	25.6	-33	0	0	0	110.6	F486 S487 K525	F486-P521 CarbonylContact C-O 3.52Å; F486-P521 WeakPolarHBondContact CA-O 3.21Å; F486-P521 HydrophobicContact CD1-CB 4.32Å; F486-P521 HydrophobicContact CD1-CG 3.93Å; F486-P521 HydrophobicContact CE1-CG 4.13Å; S487-P521 PolarHBondContact N-O 3.02Å; S487-P521 PolarHBondContact OG-O 3.43Å; P521-K525 HydrophobicContact CB-CD 3.91Å
522	P	89.8	Confident	75.8	Confident	15 Å²	15	54.8 Å²	54.8	10%	0.097	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-70.3	153.8	168.2	31.2	-34.3	0	0	0	109.8	M205 T488 W524 K525	M205-P522 HydrophobicContact CE-CB 3.95Å; M205-P522 HydrophobicContact CE-CG 4.42Å; M205-P522 HydrophobicContact SD-CB 4.32Å; M205-P522 HydrophobicContact SD-CG 4.38Å; T488-P522 WeakPolarHBondContact OG1-CA 3.4Å; P522-W524 HydrophobicContact CB-CB 4.48Å; P522-W524 HydrophobicContact CB-CG 4.28Å; P522-W524 PolarHBondContact O-N 2.75Å; P522-W524 VanDerWaalsContact O-N 3.1Å; P522-K525 HydrophobicContact CG-CG 4.28Å; P522-K525 PolarHBondContact O-N 2.82Å; P522-K525 VanDerWaalsContact O-N 3.14Å
523	V	92.9	Very high	77.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.9	177.9	74.1	0	0	0	0	112.2	L477 F486 T488 F489 K525 W526 Q529	L477-V523 HydrophobicContact CD1-CG1 4.16Å; F486-V523 HydrophobicContact CB-CB 4.17Å; F486-V523 HydrophobicContact CD2-CG2 4.49Å; F486-V523 HydrophobicContact CG-CB 4.32Å; F486-V523 HydrophobicContact CG-CG2 4.48Å; T488-V523 HydrophobicContact CG2-CG1 3.76Å; T488-V523 PolarHBondContact OG1-N 2.79Å; F489-V523 HydrophobicContact CE2-CG1 4.07Å; F489-V523 HydrophobicContact CE2-CG2 4.5Å; F489-V523 HydrophobicContact CZ-CG1 4.41Å; V523-K525 PolarHBondContact O-N 2.91Å; V523-W526 HydrophobicContact CG2-CH2 3.91Å; V523-W526 HydrophobicContact CG2-CZ3 4.09Å; V523-Q529 PolarHBondContact O-NE2 3.4Å; V523-Q529 VanDerWaalsContact O-NE2 3.13Å
524	W	93.4	Very high	78.8	Confident	15 Å²	15	57 Å²	57	6%	0.057	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-16	177.9	-43.4	136.7	0	0	0	114.2	T203 Q417 V420 L477 T488 F489 P522 W526	T203-W524 HydrophobicContact CG2-CG 4.29Å; Q417-W524 HydrophobicContact CB-CD2 3.82Å; Q417-W524 HydrophobicContact CB-CE3 3.76Å; Q417-W524 HydrophobicContact CB-CG 4.4Å; Q417-W524 HydrophobicContact CB-CH2 4.26Å; Q417-W524 HydrophobicContact CB-CZ2 4.32Å; Q417-W524 HydrophobicContact CB-CZ3 3.98Å; Q417-W524 HydrophobicContact CG-CD2 3.92Å; Q417-W524 HydrophobicContact CG-CE3 3.37Å; Q417-W524 HydrophobicContact CG-CH2 4.36Å; Q417-W524 HydrophobicContact CG-CZ3 3.63Å; Q417-W524 WeakPolarHBondContact O-CZ2 3.45Å; V420-W524 HydrophobicContact CB-CH2 3.85Å; V420-W524 HydrophobicContact CB-CZ2 4.02Å; V420-W524 HydrophobicContact CG1-CH2 3.79Å; V420-W524 HydrophobicContact CG1-CZ2 3.92Å; V420-W524 HydrophobicContact CG2-CH2 4.48Å; L477-W524 HydrophobicContact CD1-CH2 4.05Å; L477-W524 HydrophobicContact CD1-CZ3 3.61Å; T488-W524 HydrophobicContact CG2-CH2 4.31Å; T488-W524 HydrophobicContact CG2-CZ2 3.68Å; F489-W524 HydrophobicContact CZ-CH2 4.48Å; P522-W524 HydrophobicContact CB-CB 4.48Å; P522-W524 HydrophobicContact CB-CG 4.28Å; P522-W524 PolarHBondContact O-N 2.75Å; P522-W524 VanDerWaalsContact O-N 3.1Å; W524-W526 HydrophobicContact CE3-CZ2 4.13Å; W524-W526 HydrophobicContact CZ3-CZ2 4.29Å; W524-W526 PolarHBondContact O-N 2.84Å
525	K	89.4	Confident	80.8	Confident	61 Å²	61	50.1 Å²	50.1	27%	0.265	27%	0.265	S	S	.	.			trans	-77.5	64.2	170.3	-69.6	-173.6	176.1	-179.1	0	111	I201 P521 P522 V523 S527 Q528	I201-K525 HydrophobicContact CD1-CD 4.35Å; I201-K525 HydrophobicContact CD1-CG 4.26Å; P521-K525 HydrophobicContact CB-CD 3.91Å; P522-K525 HydrophobicContact CG-CG 4.28Å; P522-K525 PolarHBondContact O-N 2.82Å; P522-K525 VanDerWaalsContact O-N 3.14Å; V523-K525 PolarHBondContact O-N 2.91Å; K525-S527 PolarHBondContact O-N 3.27Å; K525-S527 VanDerWaalsContact O-N 3.08Å; K525-Q528 HydrophobicContact CB-CG 4.2Å; K525-Q528 WeakPolarHBondContact O-CB 3.48Å; K525-Q528 PolarHBondContact O-N 3.29Å
526	W	90.3	Very high	82.8	Confident	10 Å²	10	46.5 Å²	46.5	4%	0.038	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.4	-175.7	-64.7	116	0	0	0	114.5	Q417 Y473 V476 L477 V523 W524 Q528 Q529 F530 Q535 F538	Q417-W526 VanDerWaalsContact NE2-NE1 3.16Å; Y473-W526 HydrophobicContact CD2-CZ2 4.4Å; Y473-W526 AromaticContact CE2-CE2 3.79Å; Y473-W526 HydrophobicContact CE2-CH2 4.38Å; Y473-W526 AromaticContact CE2-CZ2 3.53Å; Y473-W526 HydrophobicContact CE2-CZ2 3.53Å; Y473-W526 AromaticContact CE2-NE1 3.87Å; V476-W526 HydrophobicContact CG1-CE3 4.42Å; V476-W526 HydrophobicContact CG1-CH2 4.21Å; V476-W526 HydrophobicContact CG1-CZ3 3.69Å; L477-W526 HydrophobicContact CB-CH2 4.46Å; L477-W526 HydrophobicContact CD1-CH2 3.87Å; L477-W526 HydrophobicContact CD1-CZ2 4.07Å; V523-W526 HydrophobicContact CG2-CH2 3.91Å; V523-W526 HydrophobicContact CG2-CZ3 4.09Å; W524-W526 HydrophobicContact CE3-CZ2 4.13Å; W524-W526 HydrophobicContact CZ3-CZ2 4.29Å; W524-W526 PolarHBondContact O-N 2.84Å; W526-Q528 PolarHBondContact O-N 3.19Å; W526-Q528 VanDerWaalsContact O-N 3.14Å; W526-Q529 VanDerWaalsContact CE3-NE2 3.31Å; W526-Q529 VanDerWaalsContact CZ3-NE2 3.29Å; W526-Q529 PolarHBondContact O-N 3.21Å; W526-F530 HydrophobicContact CE3-CD2 4.06Å; W526-F530 HydrophobicContact CE3-CE2 4.08Å; W526-F530 HydrophobicContact CZ3-CE2 4.2Å; W526-F530 PolarHBondContact O-N 3.39Å; W526-Q535 HydrophobicContact CB-CG 4.13Å; W526-F538 HydrophobicContact CB-CE2 4.04Å; W526-F538 AromaticContact CD2-CE2 3.72Å; W526-F538 HydrophobicContact CD2-CE2 3.72Å; W526-F538 HydrophobicContact CD2-CZ 4.25Å; W526-F538 HydrophobicContact CE3-CE2 4.01Å; W526-F538 HydrophobicContact CE3-CZ 4.08Å; W526-F538 HydrophobicContact CG-CD2 4.5Å; W526-F538 AromaticContact CG-CE2 3.72Å; W526-F538 HydrophobicContact CG-CE2 3.72Å
527	S	89.9	Confident	84.5	Confident	84 Å²	84	45.4 Å²	45.4	59%	0.587	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.5	-16.9	173.2	56.7	0	0	0	0	114.8	K525 Q535	K525-S527 PolarHBondContact O-N 3.27Å; K525-S527 VanDerWaalsContact O-N 3.08Å; S527-Q535 VanDerWaalsContact CA-NE2 3.29Å
528	Q	88.3	Confident	86.3	Confident	46 Å²	46	42 Å²	42	22%	0.215	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-82.8	-20.9	171.9	-60.2	-168.1	13.8	0	0	113	L93 F486 K525 W526	L93-Q528 WeakPolarHBondContact CD2-O 3.29Å; L93-Q528 WeakPolarHBondContact CG-O 3.03Å; F486-Q528 HydrophobicContact CE1-CB 4.45Å; K525-Q528 HydrophobicContact CB-CG 4.2Å; K525-Q528 WeakPolarHBondContact O-CB 3.48Å; K525-Q528 PolarHBondContact O-N 3.29Å; W526-Q528 PolarHBondContact O-N 3.19Å; W526-Q528 VanDerWaalsContact O-N 3.14Å
529	Q	90.3	Very high	87.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-32.6	-175.4	-65.6	-177.1	86.8	0	0	112	H91 L92 L93 S480 F486 V523 W526	H91-Q529 CarbonylContact C-O 3.51Å; H91-Q529 WeakPolarHBondContact CA-O 3.08Å; L92-Q529 PolarHBondContact N-O 3.22Å; L93-Q529 HydrophobicContact CD1-CG 4.25Å; S480-Q529 PolarHBondContact OG-OE1 3.01Å; F486-Q529 HydrophobicContact CE1-CG 4.2Å; F486-Q529 HydrophobicContact CE2-CG 3.65Å; F486-Q529 VanDerWaalsContact CZ-CD 3.46Å; F486-Q529 HydrophobicContact CZ-CG 3.27Å; V523-Q529 PolarHBondContact O-NE2 3.4Å; V523-Q529 VanDerWaalsContact O-NE2 3.13Å; W526-Q529 VanDerWaalsContact CE3-NE2 3.31Å; W526-Q529 VanDerWaalsContact CZ3-NE2 3.29Å; W526-Q529 PolarHBondContact O-N 3.21Å
530	F	90.5	Very high	88.7	Confident	10 Å²	10	40.6 Å²	40.6	4%	0.044	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-141.2	147.7	-170.7	-61.5	-75.5	0	0	0	112.3	F89 S90 H91 V476 W526 D534 Q535 F538	F89-F530 AromaticContact CD1-CD1 3.74Å; F89-F530 HydrophobicContact CD1-CD1 3.74Å; F89-F530 AromaticContact CD1-CE1 3.68Å; F89-F530 HydrophobicContact CD1-CE1 3.68Å; F89-F530 HydrophobicContact CE1-CD1 4.14Å; F89-F530 HydrophobicContact CE1-CE1 4.23Å; S90-F530 WeakPolarHBondContact O-CD1 3.12Å; H91-F530 HydrophobicContact CB-CE1 4.3Å; H91-F530 AromaticContact CD2-CE1 3.7Å; H91-F530 AromaticContact CD2-CZ 3.45Å; H91-F530 VanDerWaalsContact CD2-CZ 3.45Å; H91-F530 WeakPolarHBondContact CD2-CZ 3.37Å; V476-F530 HydrophobicContact CB-CZ 4.35Å; V476-F530 HydrophobicContact CG1-CD2 4.32Å; V476-F530 HydrophobicContact CG1-CE2 3.26Å; V476-F530 HydrophobicContact CG1-CZ 3.43Å; V476-F530 VanDerWaalsContact CG1-CZ 3.43Å; V476-F530 HydrophobicContact CG2-CZ 3.95Å; W526-F530 HydrophobicContact CE3-CD2 4.06Å; W526-F530 HydrophobicContact CE3-CE2 4.08Å; W526-F530 HydrophobicContact CZ3-CE2 4.2Å; W526-F530 PolarHBondContact O-N 3.39Å; F530-D534 HydrophobicContact CB-CB 4.13Å; F530-D534 HydrophobicContact CD1-CB 4.4Å; F530-Q535 HydrophobicContact CB-CG 3.97Å; F530-Q535 PolarHBondContact O-NE2 2.88Å; F530-F538 AromaticContact CD2-CZ 3.79Å; F530-F538 HydrophobicContact CD2-CZ 3.79Å; F530-F538 HydrophobicContact CE2-CZ 4.1Å; F530-F538 HydrophobicContact CG-CZ 4.36Å
531	S	89.2	Confident	89	Confident	38 Å²	38	45.7 Å²	45.7	27%	0.266	25%	0.251	S	S	.	.			trans	-62.7	157.6	171.6	73.1	0	0	0	0	111.3	R533 D534 Q535	S531-R533 PolarHBondContact O-N 3.22Å; S531-D534 PolarHBondContact O-N 3.17Å; S531-D534 VanDerWaalsContact O-N 3.1Å; S531-D534 PolarHBondContact OG-N 3.48Å; S531-D534 VanDerWaalsContact OG-N 3.14Å; S531-D534 PolarHBondContact OG-OD2 2.75Å; S531-Q535 WeakPolarHBondContact O-CG 3.45Å; S531-Q535 PolarHBondContact O-N 2.97Å
532	A	86.9	Confident	89	Confident	80 Å²	80	51.1 Å²	51.1	66%	0.661	28%	0.277	S	S	*	.	H	α-helix	trans	-57.5	-32.9	175.6	0	0	0	0	0	112.2	T536	A532-T536 WeakPolarHBondContact O-CG2 3.38Å; A532-T536 PolarHBondContact O-N 3.37Å
533	R	86.6	Confident	89	Confident	203 Å²	203	51.2 Å²	51.2	77%	0.766	28%	0.275	S	S	*	.	H	α-helix	trans	-63.7	-49.9	174.1	179.4	-177.4	176.5	159.4	3.8	111.5	S531 Q535 T536	S531-R533 PolarHBondContact O-N 3.22Å; R533-Q535 VanDerWaalsContact C-N 3.31Å; R533-Q535 PolarHBondContact O-N 2.77Å; R533-T536 WeakPolarHBondContact O-CB 3.37Å; R533-T536 WeakPolarHBondContact O-CG2 3.4Å; R533-T536 PolarHBondContact O-N 3.16Å; R533-T536 VanDerWaalsContact O-N 3.13Å; R533-T536 PolarHBondContact O-OG1 3.39Å
534	D	87.1	Confident	88.6	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-34.1	-178.1	-62.5	-29.6	0	0	0	111.3	F89 S90 F530 S531 T536 L537	F89-D534 HydrophobicContact CD1-CB 4.07Å; F89-D534 HydrophobicContact CE1-CB 4.16Å; F89-D534 WeakPolarHBondContact CE1-O 3.27Å; S90-D534 PolarHBondContact N-OD2 2.81Å; S90-D534 PolarHBondContact OG-OD2 3.34Å; F530-D534 HydrophobicContact CB-CB 4.13Å; F530-D534 HydrophobicContact CD1-CB 4.4Å; S531-D534 PolarHBondContact O-N 3.17Å; S531-D534 VanDerWaalsContact O-N 3.1Å; S531-D534 PolarHBondContact OG-N 3.48Å; S531-D534 VanDerWaalsContact OG-N 3.14Å; S531-D534 PolarHBondContact OG-OD2 2.75Å; D534-T536 PolarHBondContact O-N 2.94Å; D534-L537 VanDerWaalsContact O-CB 3.28Å; D534-L537 WeakPolarHBondContact O-CB 3.03Å; D534-L537 PolarHBondContact O-N 3.2Å
535	Q	88.3	Confident	87.8	Confident	52 Å²	52	55.8 Å²	55.8	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-23.4	173.6	-71	175.4	54.4	0	0	113.4	W526 S527 F530 S531 R533 L537 F538 N539	W526-Q535 HydrophobicContact CB-CG 4.13Å; S527-Q535 VanDerWaalsContact CA-NE2 3.29Å; F530-Q535 HydrophobicContact CB-CG 3.97Å; F530-Q535 PolarHBondContact O-NE2 2.88Å; S531-Q535 WeakPolarHBondContact O-CG 3.45Å; S531-Q535 PolarHBondContact O-N 2.97Å; R533-Q535 VanDerWaalsContact C-N 3.31Å; R533-Q535 PolarHBondContact O-N 2.77Å; Q535-L537 PolarHBondContact O-N 2.8Å; Q535-F538 HydrophobicContact CB-CD2 4.39Å; Q535-F538 HydrophobicContact CB-CE2 4.45Å; Q535-F538 HydrophobicContact CG-CD2 4.5Å; Q535-F538 HydrophobicContact CG-CE2 4.1Å; Q535-F538 WeakPolarHBondContact O-CB 3.37Å; Q535-F538 PolarHBondContact O-N 3.34Å; Q535-F538 VanDerWaalsContact O-N 3.15Å; Q535-N539 PolarHBondContact O-ND2 3Å
536	T	86.2	Confident	86.5	Confident	63 Å²	63	62.8 Å²	62.8	39%	0.387	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.6	174.9	67.8	0	0	0	0	112.3	A532 R533 D534 F538 N539 V556	A532-T536 WeakPolarHBondContact O-CG2 3.38Å; A532-T536 PolarHBondContact O-N 3.37Å; R533-T536 WeakPolarHBondContact O-CB 3.37Å; R533-T536 WeakPolarHBondContact O-CG2 3.4Å; R533-T536 PolarHBondContact O-N 3.16Å; R533-T536 VanDerWaalsContact O-N 3.13Å; R533-T536 PolarHBondContact O-OG1 3.39Å; D534-T536 PolarHBondContact O-N 2.94Å; T536-F538 PolarHBondContact O-N 2.95Å; T536-N539 PolarHBondContact O-N 3.24Å; T536-N539 PolarHBondContact O-ND2 3.12Å; T536-V556 HydrophobicContact CG2-CG2 4.22Å
537	L	87.3	Confident	84.7	Confident	67 Å²	67	63.7 Å²	63.7	35%	0.351	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-70.4	-12.4	179.7	-60.2	171.3	0	0	0	112.9	Q88 F89 T470 D534 Q535	Q88-L537 WeakPolarHBondContact O-CD1 3.49Å; F89-L537 HydrophobicContact CD2-CB 4.45Å; F89-L537 HydrophobicContact CD2-CD1 3.49Å; F89-L537 VanDerWaalsContact CD2-CD1 3.49Å; F89-L537 HydrophobicContact CE1-CB 4.45Å; F89-L537 HydrophobicContact CE1-CD1 4.41Å; F89-L537 HydrophobicContact CE2-CB 3.38Å; F89-L537 HydrophobicContact CE2-CD1 3.25Å; F89-L537 HydrophobicContact CE2-CG 3.94Å; F89-L537 HydrophobicContact CG-CD1 4.21Å; F89-L537 HydrophobicContact CZ-CB 3.39Å; F89-L537 HydrophobicContact CZ-CD1 3.77Å; F89-L537 HydrophobicContact CZ-CG 4.19Å; T470-L537 WeakPolarHBondContact CG2-O 3.32Å; T470-L537 PolarHBondContact OG1-O 2.89Å; D534-L537 VanDerWaalsContact O-CB 3.28Å; D534-L537 WeakPolarHBondContact O-CB 3.03Å; D534-L537 PolarHBondContact O-N 3.2Å; Q535-L537 PolarHBondContact O-N 2.8Å
538	F	90.9	Very high	83	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.013	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-69.8	-25.2	170.7	-61.8	-17.5	0	0	0	112.2	F89 L413 F469 T470 Y473 V476 W526 F530 Q535 T536	F89-F538 HydrophobicContact CE1-CD1 4.14Å; F89-F538 AromaticContact CE1-CE1 3.48Å; F89-F538 HydrophobicContact CE1-CE1 3.48Å; F89-F538 VanDerWaalsContact CE1-CE1 3.48Å; F89-F538 HydrophobicContact CE1-CZ 4.22Å; F89-F538 AromaticContact CZ-CD1 3.81Å; F89-F538 HydrophobicContact CZ-CD1 3.81Å; F89-F538 AromaticContact CZ-CE1 3.58Å; F89-F538 HydrophobicContact CZ-CE1 3.58Å; L413-F538 HydrophobicContact CD1-CB 4.2Å; F469-F538 CarbonylContact C-O 3.59Å; F469-F538 WeakPolarHBondContact CA-O 3.49Å; T470-F538 PolarHBondContact N-O 3.48Å; Y473-F538 HydrophobicContact CD2-CB 3.96Å; Y473-F538 AromaticContact CD2-CD1 3.94Å; Y473-F538 HydrophobicContact CD2-CD1 3.94Å; Y473-F538 AromaticContact CD2-CD2 3.82Å; Y473-F538 HydrophobicContact CD2-CD2 3.82Å; Y473-F538 HydrophobicContact CD2-CE1 4.36Å; Y473-F538 HydrophobicContact CD2-CE2 4.25Å; Y473-F538 AromaticContact CD2-CG 3.65Å; Y473-F538 HydrophobicContact CD2-CG 3.65Å; Y473-F538 HydrophobicContact CE2-CD2 4.35Å; Y473-F538 HydrophobicContact CG-CB 4.36Å; Y473-F538 HydrophobicContact CG-CD1 4.46Å; Y473-F538 HydrophobicContact CG-CG 4.37Å; V476-F538 HydrophobicContact CB-CE1 4.23Å; V476-F538 HydrophobicContact CG1-CE1 4.07Å; V476-F538 HydrophobicContact CG1-CZ 3.97Å; V476-F538 HydrophobicContact CG2-CE1 4.23Å; W526-F538 HydrophobicContact CB-CE2 4.04Å; W526-F538 AromaticContact CD2-CE2 3.72Å; W526-F538 HydrophobicContact CD2-CE2 3.72Å; W526-F538 HydrophobicContact CD2-CZ 4.25Å; W526-F538 HydrophobicContact CE3-CE2 4.01Å; W526-F538 HydrophobicContact CE3-CZ 4.08Å; W526-F538 HydrophobicContact CG-CD2 4.5Å; W526-F538 AromaticContact CG-CE2 3.72Å; W526-F538 HydrophobicContact CG-CE2 3.72Å; F530-F538 AromaticContact CD2-CZ 3.79Å; F530-F538 HydrophobicContact CD2-CZ 3.79Å; F530-F538 HydrophobicContact CE2-CZ 4.1Å; F530-F538 HydrophobicContact CG-CZ 4.36Å; Q535-F538 HydrophobicContact CB-CD2 4.39Å; Q535-F538 HydrophobicContact CB-CE2 4.45Å; Q535-F538 HydrophobicContact CG-CD2 4.5Å; Q535-F538 HydrophobicContact CG-CE2 4.1Å; Q535-F538 WeakPolarHBondContact O-CB 3.37Å; Q535-F538 PolarHBondContact O-N 3.34Å; Q535-F538 VanDerWaalsContact O-N 3.15Å; T536-F538 PolarHBondContact O-N 2.95Å
539	N	89.9	Confident	81.1	Confident	52 Å²	52	60.6 Å²	60.6	28%	0.278	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-88.6	131.7	-174.1	-60.9	-83.6	0	0	0	111	E468 T470 Q535 T536 P541	E468-N539 CarbonylContact O-C 3.57Å; E468-N539 WeakPolarHBondContact O-CA 3.31Å; T470-N539 WeakPolarHBondContact CG2-O 3.36Å; Q535-N539 PolarHBondContact O-ND2 3Å; T536-N539 PolarHBondContact O-N 3.24Å; T536-N539 PolarHBondContact O-ND2 3.12Å; N539-P541 WeakPolarHBondContact O-CD 3.28Å
540	N	89.6	Confident	78.8	Confident	29 Å²	29	63.2 Å²	63.2	16%	0.155	36%	0.356	C	S	.	.			trans	-86.6	116.1	177.6	177	10.4	0	0	0	110.1	P464 F467 E468 T470 M542 Y543	P464-N540 PolarHBondContact O-ND2 2.96Å; F467-N540 WeakPolarHBondContact O-CB 3.35Å; F467-N540 PolarHBondContact O-ND2 3.49Å; E468-N540 WeakPolarHBondContact O-CB 3.18Å; E468-N540 PolarHBondContact O-N 3.31Å; T470-N540 HydrophobicContact CG2-CB 4.07Å; N540-M542 PolarHBondContact O-N 3.48Å; N540-M542 WeakPolarHBondContact OD1-CB 3.4Å; N540-M542 PolarHBondContact OD1-N 3.1Å; N540-Y543 WeakPolarHBondContact O-CB 3.39Å; N540-Y543 PolarHBondContact O-N 3.45Å
541	P	86.8	Confident	76.5	Confident	110 Å²	110	67.4 Å²	67.4	71%	0.714	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.7	-178.9	28.4	-35.6	0	0	0	113.5	N539 Y543	N539-P541 WeakPolarHBondContact O-CD 3.28Å; P541-Y543 VanDerWaalsContact C-N 3.34Å
542	M	86.1	Confident	73.9	Confident	122 Å²	122	71.3 Å²	71.3	60%	0.601	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	178.8	-62	-59.4	-67.3	0	0	113.3	A465 N540 V544	A465-M542 WeakPolarHBondContact CA-O 3.39Å; A465-M542 WeakPolarHBondContact CB-O 3.37Å; N540-M542 PolarHBondContact O-N 3.48Å; N540-M542 WeakPolarHBondContact OD1-CB 3.4Å; N540-M542 PolarHBondContact OD1-N 3.1Å; M542-V544 WeakPolarHBondContact O-CG2 3.44Å; M542-V544 PolarHBondContact O-N 2.77Å
543	Y	88.9	Confident	71.5	Confident	18 Å²	18	75.7 Å²	75.7	7%	0.071	41%	0.409	C	S	.	.			trans	-63.4	124.4	-174.2	178.1	-122.8	0	0	0	112.6	A466 F467 E468 N540 P541 A548	A466-Y543 WeakPolarHBondContact O-CE2 3.45Å; F467-Y543 WeakPolarHBondContact O-CD2 3.26Å; E468-Y543 HydrophobicContact CB-CD1 3.74Å; E468-Y543 HydrophobicContact CB-CD2 4.15Å; E468-Y543 HydrophobicContact CB-CE1 3.8Å; E468-Y543 HydrophobicContact CB-CE2 4.18Å; E468-Y543 HydrophobicContact CB-CG 3.92Å; E468-Y543 HydrophobicContact CG-CD1 3.82Å; E468-Y543 HydrophobicContact CG-CE1 4.03Å; E468-Y543 HydrophobicContact CG-CG 4.36Å; E468-Y543 VanDerWaalsContact N-CD2 3.34Å; N540-Y543 WeakPolarHBondContact O-CB 3.39Å; N540-Y543 PolarHBondContact O-N 3.45Å; P541-Y543 VanDerWaalsContact C-N 3.34Å; Y543-A548 HydrophobicContact CD1-CB 4.29Å; Y543-A548 WeakPolarHBondContact O-CB 3.49Å
544	V	85	Confident	69.1	Low	91 Å²	91	69.4 Å²	69.4	55%	0.552	41%	0.408	S	S	*	.			trans	-109.6	76	178.5	-175.5	0	0	0	0	109.1	A465 M542 Q624	A465-V544 HydrophobicContact CB-CG2 4.08Å; A465-V544 PolarHBondContact O-N 3.4Å; M542-V544 WeakPolarHBondContact O-CG2 3.44Å; M542-V544 PolarHBondContact O-N 2.77Å; V544-Q624 VanDerWaalsContact O-CD 3.23Å; V544-Q624 WeakPolarHBondContact O-CG 3.43Å; V544-Q624 PolarHBondContact O-NE2 2.69Å
545	G	75.3	Confident	66.5	Low	20 Å²	20	74.4 Å²	74.4	21%	0.206	43%	0.431	C	S	.	.	S	Bend	trans	-144.6	178.7	178.9	0	0	0	0	0	114.4	G547 A548	G545-G547 PolarHBondContact O-N 2.94Å; G545-A548 WeakPolarHBondContact O-CB 3.48Å; G545-A548 PolarHBondContact O-N 2.84Å; G545-A548 VanDerWaalsContact O-N 3.16Å
546	K	62.1	Low	64.4	Low	207 Å²	207	75.5 Å²	75.5	90%	0.9	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	120.8	176.2	-76.9	-175.2	179.5	177.5	0	109.1
547	G	54.2	Low	62.2	Low	30 Å²	30	78.7 Å²	78.7	31%	0.309	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	7.5	-177	0	0	0	0	0	114.6	G545 A549	G545-G547 PolarHBondContact O-N 2.94Å; G547-A549 PolarHBondContact O-N 3.35Å
548	A	54.3	Low	59.9	Low	32 Å²	32	80.4 Å²	80.4	26%	0.264	46%	0.463	S	S	.	.			trans	-46.8	113.9	173.4	0	0	0	0	0	110.7	Y543 G545	Y543-A548 HydrophobicContact CD1-CB 4.29Å; Y543-A548 WeakPolarHBondContact O-CB 3.49Å; G545-A548 WeakPolarHBondContact O-CB 3.48Å; G545-A548 PolarHBondContact O-N 2.84Å; G545-A548 VanDerWaalsContact O-N 3.16Å
549	A	48.1	Very low	57.2	Low	32 Å²	32	86.7 Å²	86.7	26%	0.264	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.9	179.1	0	0	0	0	0	109.4	G547 V556	G547-A549 PolarHBondContact O-N 3.35Å; A549-V556 HydrophobicContact CB-CG1 3.45Å; A549-V556 VanDerWaalsContact CB-CG1 3.45Å
550	C	41.7	Very low	54.4	Low	55 Å²	55	92.8 Å²	92.8	37%	0.372	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125	169.6	-177.5	0	0	0	0	107.6	Q552 K557	C550-Q552 PolarHBondContact O-N 3.08Å; C550-K557 PolarHBondContact N-O 3.11Å
551	V	41.3	Very low	51.6	Low	99 Å²	99	102.3 Å²	102.3	60%	0.6	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.1	107.9	170.2	-178.4	0	0	0	0	107.4
552	Q	34.7	Very low	48.7	Very low	119 Å²	119	102.9 Å²	102.9	56%	0.556	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.7	122	166.8	-71.2	-171.2	-2.8	0	0	108.1	C550 G554 E555	C550-Q552 PolarHBondContact O-N 3.08Å; Q552-G554 VanDerWaalsContact C-N 3.28Å; Q552-G554 PolarHBondContact O-N 3.49Å; Q552-E555 PolarHBondContact N-O 3.04Å; Q552-E555 PolarHBondContact O-N 3.12Å
553	N	36	Very low	45.9	Very low	173 Å²	173	107 Å²	107	93%	0.925	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.6	35.9	175.7	-58.7	-16.2	0	0	0	115.1	E555	N553-E555 VanDerWaalsContact C-N 3.28Å; N553-E555 PolarHBondContact O-N 3.15Å
554	G	36.5	Very low	43	Very low	71 Å²	71	114.7 Å²	114.7	73%	0.732	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.5	2	176.6	0	0	0	0	0	115.3	Q552	Q552-G554 VanDerWaalsContact C-N 3.28Å; Q552-G554 PolarHBondContact O-N 3.49Å
555	E	33.5	Very low	40.1	Very low	118 Å²	118	115.1 Å²	115.1	55%	0.551	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108	135.7	169.9	-71	-173.1	159.2	0	0	110.9	Q552 N553 K557	Q552-E555 PolarHBondContact N-O 3.04Å; Q552-E555 PolarHBondContact O-N 3.12Å; N553-E555 VanDerWaalsContact C-N 3.28Å; N553-E555 PolarHBondContact O-N 3.15Å; E555-K557 PolarHBondContact O-N 2.89Å; E555-K557 WeakPolarHBondContact OE2-CE 3.28Å; E555-K557 IonicContact OE2-NZ 2.73Å; E555-K557 PolarHBondContact OE2-NZ 2.88Å
556	V	43	Very low	37.8	Very low	74 Å²	74	123.1 Å²	123.1	45%	0.448	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.3	106.8	175.1	-179.1	0	0	0	0	107.7	T536 A549	T536-V556 HydrophobicContact CG2-CG2 4.22Å; A549-V556 HydrophobicContact CB-CG1 3.45Å; A549-V556 VanDerWaalsContact CB-CG1 3.45Å
557	K	41.5	Very low	36.1	Very low	130 Å²	130	118.4 Å²	118.4	57%	0.565	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.5	127.5	173.7	-67.7	-176.1	-177.4	171	0	110.3	C550 E555 F559	C550-K557 PolarHBondContact N-O 3.11Å; E555-K557 PolarHBondContact O-N 2.89Å; E555-K557 WeakPolarHBondContact OE2-CE 3.28Å; E555-K557 IonicContact OE2-NZ 2.73Å; E555-K557 PolarHBondContact OE2-NZ 2.88Å; K557-F559 PolarHBondContact O-N 2.99Å
558	T	38	Very low	34.8	Very low	104 Å²	104	122 Å²	122	64%	0.638	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.4	119.8	174.4	18.8	0	0	0	0	109.7	Q560	T558-Q560 PolarHBondContact O-N 3.19Å
559	F	34.7	Very low	33.6	Very low	135 Å²	135	125.7 Å²	125.7	59%	0.592	68%	0.676	S	S	*	*			trans	-76.8	107.8	178.6	-138	-88.7	0	0	0	109.9	K557 R561	K557-F559 PolarHBondContact O-N 2.99Å; F559-R561 PolarHBondContact O-N 3.19Å
560	Q	30.1	Very low	32.5	Very low	179 Å²	179	129.8 Å²	129.8	84%	0.836	70%	0.698	S	S	*	*			trans	-78.5	102.1	161.1	-77	-170.6	3.1	0	0	108.2	T558 T562	T558-Q560 PolarHBondContact O-N 3.19Å; Q560-T562 PolarHBondContact O-N 3.25Å
561	R	31.4	Very low	31.9	Very low	230 Å²	230	138.1 Å²	138.1	87%	0.868	72%	0.721	S	S	*	*			trans	-69.3	96.6	174.9	-158.3	178.1	-172.3	-178.1	2.8	108.8	F559 K563	F559-R561 PolarHBondContact O-N 3.19Å; R561-K563 PolarHBondContact O-N 2.84Å; R561-K563 VanDerWaalsContact O-N 3.12Å
562	T	26.5	Very low	31.1	Very low	121 Å²	121	140.8 Å²	140.8	74%	0.742	73%	0.731	S	S	*	*			trans	-58	115.8	166.1	38.7	0	0	0	0	108.5	Q560 K564	Q560-T562 PolarHBondContact O-N 3.25Å; T562-K564 PolarHBondContact O-N 3.02Å
563	K	27.6	Very low	30.7	Very low	210 Å²	210	140 Å²	140	91%	0.913	74%	0.738	S	S	*	*			trans	-58.9	99.4	169.7	-85	-178	173.1	179.6	0	108.7	R561	R561-K563 PolarHBondContact O-N 2.84Å; R561-K563 VanDerWaalsContact O-N 3.12Å
564	K	27.2	Very low	30.1	Very low	178 Å²	178	137.1 Å²	137.1	77%	0.774	73%	0.732	S	S	*	*			trans	-89.9	107.5	151.2	-83.9	-173	176.5	-180	0	107	T562 F566	T562-K564 PolarHBondContact O-N 3.02Å; K564-F566 PolarHBondContact O-N 2.77Å
565	A	25.3	Very low	29.7	Very low	100 Å²	100	140 Å²	140	83%	0.826	74%	0.735	S	S	*	*			trans	-65	111.3	168.7	0	0	0	0	0	108.2
566	F	25.8	Very low	29.4	Very low	188 Å²	188	139.8 Å²	139.8	83%	0.825	75%	0.746	S	S	*	*			trans	-93.8	107.5	155.9	-86.1	-83.5	0	0	0	106.8	K564 S568	K564-F566 PolarHBondContact O-N 2.77Å; F566-S568 PolarHBondContact O-N 2.98Å
567	S	26.6	Very low	28.7	Very low	109 Å²	109	145 Å²	145	76%	0.762	77%	0.766	S	S	*	*			trans	-73.4	116.8	165.5	-169.1	0	0	0	0	107.3
568	S	26.9	Very low	28	Very low	105 Å²	105	150.4 Å²	150.4	73%	0.734	78%	0.783	S	S	*	*			trans	-123.1	86.7	162	61.8	0	0	0	0	107.8	F566 V570	F566-S568 PolarHBondContact O-N 2.98Å; S568-V570 PolarHBondContact O-N 3.22Å
569	T	28.6	Very low	27.7	Very low	109 Å²	109	153.4 Å²	153.4	67%	0.669	80%	0.795	S	S	*	*			trans	-59.1	107.3	162.1	-47.3	0	0	0	0	108.4	R571	T569-R571 HydrophobicContact CG2-CG 4.43Å
570	V	26.7	Very low	27.4	Very low	119 Å²	119	150.6 Å²	150.6	72%	0.721	80%	0.804	S	S	*	*			trans	-127	101.1	157.6	179.7	0	0	0	0	107.3	S568 I572	S568-V570 PolarHBondContact O-N 3.22Å; V570-I572 HydrophobicContact CG1-CD1 4.43Å; V570-I572 HydrophobicContact CG1-CG1 4.19Å
571	R	27.1	Very low	27.3	Very low	230 Å²	230	148.9 Å²	148.9	87%	0.868	81%	0.806	S	S	*	*			trans	-73	124.1	166.2	-65.7	176.9	-177.7	175.3	-0	107.5	T569	T569-R571 HydrophobicContact CG2-CG 4.43Å
572	I	26.3	Very low	27.1	Very low	155 Å²	155	147.8 Å²	147.8	80%	0.795	81%	0.807	S	S	*	*			trans	-133	128.2	152	-59.5	-178.5	0	0	0	107.9	V570	V570-I572 HydrophobicContact CG1-CD1 4.43Å; V570-I572 HydrophobicContact CG1-CG1 4.19Å
573	S	24.7	Very low	27	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	81%	0.809	S	S	*	*			trans	-75.4	148.7	-167.1	51.9	0	0	0	0	114.5
574	S	24.9	Very low	26.9	Very low	112 Å²	112	143.5 Å²	143.5	78%	0.783	81%	0.807	S	S	*	*			trans	-79.4	131.5	166.1	53.8	0	0	0	0	112.9
575	T	26.3	Very low	26.9	Very low	131 Å²	131	144.6 Å²	144.6	80%	0.804	82%	0.815	S	S	*	*			trans	-170.6	146.1	157.3	41.8	0	0	0	0	106.2
576	S	28.3	Very low	26.8	Very low	113 Å²	113	148 Å²	148	79%	0.79	81%	0.814	S	S	*	*			cis	-171.9	155.1	-6.4	53.5	0	0	0	0	105.9
577	Q	29.1	Very low	26.8	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	81%	0.808	S	S	*	*			trans	-62.7	152.9	176.8	-65.2	-176.5	-32	0	0	114.8
578	R	26.7	Very low	26.8	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.921	82%	0.815	S	S	*	*				-174	151.4	120.3	-119.2	179.7	176.8	-178.7	-1.1	114.9
579	N	30	Very low	26.7	Very low	166 Å²	166	150.7 Å²	150.7	89%	0.888	82%	0.818	S	S	*	*			trans	-61.5	160.6	-173.7	-62.4	-25.7	0	0	0	117.6
580	G	28.5	Very low	26.6	Very low	77 Å²	77	157.4 Å²	157.4	79%	0.794	83%	0.831	S	S	*	*			trans	178.3	116.8	155.3	0	0	0	0	0	113.4
581	V	28.8	Very low	26.6	Very low	142 Å²	142	163.4 Å²	163.4	86%	0.861	84%	0.841	S	S	*	*			trans	-101.3	154.1	177.8	166	0	0	0	0	110.1
582	K	27.1	Very low	26.7	Very low	208 Å²	208	156.3 Å²	156.3	90%	0.904	84%	0.839	S	S	*	*			trans	101.1	130	151.6	-111.4	177.6	-176.8	-173.1	0	118.9
583	G	25.1	Very low	26.9	Very low	75 Å²	75	154.6 Å²	154.6	77%	0.773	84%	0.841	S	S	*	*			trans	147.6	90.8	151.2	0	0	0	0	0	113.9
584	D	25.4	Very low	27.1	Very low	165 Å²	165	158.5 Å²	158.5	88%	0.882	85%	0.853	S	S	*	*			trans	-60.2	141.1	167	-68.2	-50.2	0	0	0	111.6
585	E	26.1	Very low	27.2	Very low	202 Å²	202	155.8 Å²	155.8	94%	0.944	84%	0.843	S	S	*	*			trans	-153	132.1	142.5	-118.4	-177.1	-168.9	0	0	111
586	E	24.4	Very low	27.3	Very low	170 Å²	170	156.2 Å²	156.2	79%	0.794	84%	0.839	S	S	*	*			trans	-85.6	146.6	-163.1	-77.7	-178.4	139.1	0	0	114.3
587	T	25.6	Very low	27.2	Very low	114 Å²	114	160 Å²	160	70%	0.699	84%	0.842	S	S	*	*			trans	67	124.7	142	56.2	0	0	0	0	120.5
588	L	26.4	Very low	27.3	Very low	175 Å²	175	155.2 Å²	155.2	92%	0.916	83%	0.833	S	S	*	*				-160.2	125.3	106.3	-95.8	166.9	0	0	0	110.5
589	Q	25.2	Very low	27.3	Very low	171 Å²	171	152 Å²	152	80%	0.799	83%	0.828	S	S	*	*			trans	-74.7	144	179.6	-68	176.7	-10.8	0	0	112
590	R	25.3	Very low	27.4	Very low	250 Å²	250	153.9 Å²	153.9	94%	0.943	83%	0.829	S	S	*	*			trans	-131.9	110.3	144.5	-111.2	-178	-168.3	-180	4.5	110
591	R	27.9	Very low	27.7	Very low	245 Å²	245	154.3 Å²	154.3	93%	0.925	82%	0.82	S	S	*	*			trans	-56.3	143.1	172.7	-88.7	179.8	168.4	-157.8	-2.1	111.5
592	G	28.4	Very low	28.3	Very low	80 Å²	80	153.1 Å²	153.1	83%	0.825	82%	0.815	S	S	*	*			trans	159.4	47.1	161.1	0	0	0	0	0	117.1
593	S	29.7	Very low	29.1	Very low	119 Å²	119	150 Å²	150	83%	0.832	81%	0.813	S	S	*	*			trans	-161.6	133	146	68.6	0	0	0	0	110.2	G595	S593-G595 PolarHBondContact O-N 2.61Å
594	L	29.9	Very low	30.5	Very low	186 Å²	186	155.1 Å²	155.1	97%	0.974	81%	0.814	S	S	*	*			trans	-72.4	80.3	174.2	-78.3	155.4	0	0	0	108.9
595	G	27.8	Very low	32.4	Very low	55 Å²	55	154.5 Å²	154.5	57%	0.567	81%	0.811	S	S	*	*			trans	-76	123.9	152	0	0	0	0	0	107.6	S593 K597	S593-G595 PolarHBondContact O-N 2.61Å; G595-K597 VanDerWaalsContact C-N 3.31Å; G595-K597 PolarHBondContact O-N 2.9Å
596	L	28.3	Very low	34.8	Very low	139 Å²	139	147.3 Å²	147.3	73%	0.728	78%	0.777	S	S	*	*			trans	-55.6	100.1	165.6	-82	154	0	0	0	107.6	A598 W753	L596-A598 PolarHBondContact O-N 2.67Å; L596-W753 HydrophobicContact CD1-CE3 4.43Å; L596-W753 HydrophobicContact CD1-CH2 3.28Å; L596-W753 HydrophobicContact CD1-CZ2 3.66Å; L596-W753 HydrophobicContact CD1-CZ3 3.71Å
597	K	25.7	Very low	37.8	Very low	194 Å²	194	141 Å²	141	84%	0.843	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-62.5	120.1	165.1	-88.2	-178.5	170.8	-176.8	0	106.1	G595 E599	G595-K597 VanDerWaalsContact C-N 3.31Å; G595-K597 PolarHBondContact O-N 2.9Å; K597-E599 PolarHBondContact O-N 3.18Å; K597-E599 VanDerWaalsContact O-N 3.12Å
598	A	30.5	Very low	40.8	Very low	82 Å²	82	139.8 Å²	139.8	68%	0.678	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-53.2	118.3	159.4	0	0	0	0	0	107.2	L596 F600	L596-A598 PolarHBondContact O-N 2.67Å; A598-F600 PolarHBondContact O-N 3.1Å; A598-F600 VanDerWaalsContact O-N 3.15Å
599	E	26.1	Very low	43.6	Very low	176 Å²	176	132.8 Å²	132.8	82%	0.822	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-58.8	118.8	165.6	-71.3	-171	150.3	0	0	107.1	K597 S601	K597-E599 PolarHBondContact O-N 3.18Å; K597-E599 VanDerWaalsContact O-N 3.12Å; E599-S601 PolarHBondContact O-N 2.86Å
600	F	32.9	Very low	46.6	Very low	206 Å²	206	129.7 Å²	129.7	90%	0.904	70%	0.697	S	S	*	*			trans	-68.6	85.2	169.9	-78.9	-88.5	0	0	0	107.8	A598	A598-F600 PolarHBondContact O-N 3.1Å; A598-F600 VanDerWaalsContact O-N 3.15Å
601	S	34	Very low	49.7	Very low	86 Å²	86	123 Å²	123	60%	0.601	67%	0.672	S	S	*	*			trans	-60.3	145.2	155.1	58.3	0	0	0	0	108.3	E599 V603	E599-S601 PolarHBondContact O-N 2.86Å; S601-V603 PolarHBondContact O-N 2.82Å
602	P	41.8	Very low	52.6	Low	118 Å²	118	113.1 Å²	113.1	77%	0.766	64%	0.636	S	S	*	*			trans	-51.8	131.8	175.6	23.3	-32.3	0	0	0	108.8	K604	P602-K604 PolarHBondContact O-N 2.8Å
603	V	44.4	Very low	55.7	Low	141 Å²	141	110.9 Å²	110.9	86%	0.855	60%	0.603	S	S	*	*			trans	-48	101.1	-176.6	177.9	0	0	0	0	108.4	S601 D605	S601-V603 PolarHBondContact O-N 2.82Å; V603-D605 PolarHBondContact O-N 3.46Å
604	K	55.5	Low	58.6	Low	183 Å²	183	111.2 Å²	111.2	80%	0.796	59%	0.586	S	S	*	*			trans	-57.6	136	163.3	-88.3	-176.9	174.7	178.8	0	106.1	P602 E606	P602-K604 PolarHBondContact O-N 2.8Å; K604-E606 PolarHBondContact O-N 3.13Å
605	D	63.8	Low	61.4	Low	152 Å²	152	105.9 Å²	105.9	81%	0.813	56%	0.559	S	S	*	*			trans	-62.2	91.7	176.2	-147.4	-0.5	0	0	0	108.1	V603 S607 R611	V603-D605 PolarHBondContact O-N 3.46Å; D605-S607 PolarHBondContact O-N 3.37Å; D605-R611 IonicContact OD1-NH2 2.77Å
606	E	76.8	Confident	64.3	Low	52 Å²	52	105.9 Å²	105.9	24%	0.243	54%	0.542	C	S	.	.			trans	-67.3	126.8	-171.4	-174	-174.4	-161.6	0	0	108.8	K604 E610 R611 R614	K604-E606 PolarHBondContact O-N 3.13Å; E606-E610 HydrophobicContact CG-CB 3.63Å; E606-R611 HydrophobicContact CB-CG 4.31Å; E606-R611 HydrophobicContact CG-CG 3.84Å; E606-R611 PolarHBondContact O-NE 3.15Å; E606-R611 PolarHBondContact O-NH2 2.84Å; E606-R611 WeakPolarHBondContact OE2-CG 3.4Å; E606-R611 IonicContact OE2-NE 3.4Å; E606-R614 IonicContact OE1-CZ 2.67Å; E606-R614 IonicContact OE1-NE 2.76Å; E606-R614 IonicContact OE1-NH1 3.41Å; E606-R614 PolarHBondContact OE1-NH1 2.96Å; E606-R614 IonicContact OE2-CZ 3.04Å; E606-R614 IonicContact OE2-NH1 3.67Å; E606-R614 PolarHBondContact OE2-NH1 2.86Å; E606-R614 IonicContact OE2-NH2 2.93Å
607	S	87.5	Confident	67.3	Low	36 Å²	36	102.4 Å²	102.4	25%	0.252	52%	0.521	S	S	.	.			trans	-63.7	152.6	-176	65.3	0	0	0	0	111.4	D605 S609 E610 R611	D605-S607 PolarHBondContact O-N 3.37Å; S607-S609 PolarHBondContact O-N 3.38Å; S607-S609 VanDerWaalsContact O-N 3.16Å; S607-S609 PolarHBondContact OG-OG 2.85Å; S607-S609 VanDerWaalsContact OG-OG 3.06Å; S607-E610 WeakPolarHBondContact CB-OE2 3.43Å; S607-E610 PolarHBondContact N-OE2 2.65Å; S607-E610 PolarHBondContact O-N 3.21Å; S607-E610 WeakPolarHBondContact OG-CB 3.41Å; S607-E610 WeakPolarHBondContact OG-CG 3.14Å; S607-E610 PolarHBondContact OG-N 3.17Å; S607-E610 PolarHBondContact OG-OE2 3.29Å; S607-R611 PolarHBondContact O-N 3.33Å
608	P	88.3	Confident	70.4	Confident	89 Å²	89	97.6 Å²	97.6	58%	0.578	51%	0.511	S	S	*	.	H	α-helix	trans	-54.8	-34.5	176.5	-29	36.7	0	0	0	113.8	Y375 F612	Y375-P608 VanDerWaalsContact OH-CB 3.26Å; Y375-P608 WeakPolarHBondContact OH-CB 3.46Å; P608-F612 WeakPolarHBondContact O-CB 3.14Å; P608-F612 PolarHBondContact O-N 2.8Å
609	S	86.4	Confident	73.1	Confident	29 Å²	29	101.4 Å²	101.4	20%	0.203	51%	0.508	C	S	.	.	H	α-helix	trans	-67.1	-43.7	174.7	37.5	0	0	0	0	112.7	S607 R611 F612 F613	S607-S609 PolarHBondContact O-N 3.38Å; S607-S609 VanDerWaalsContact O-N 3.16Å; S607-S609 PolarHBondContact OG-OG 2.85Å; S607-S609 VanDerWaalsContact OG-OG 3.06Å; S609-R611 VanDerWaalsContact C-N 3.34Å; S609-R611 PolarHBondContact O-N 3.09Å; S609-F612 WeakPolarHBondContact O-CB 3.41Å; S609-F612 PolarHBondContact O-N 2.96Å; S609-F613 WeakPolarHBondContact O-CD2 3.2Å; S609-F613 WeakPolarHBondContact O-CG 3.39Å; S609-F613 PolarHBondContact O-N 3.39Å
610	E	88.5	Confident	76	Confident	106 Å²	106	99.1 Å²	99.1	50%	0.495	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.8	-75.3	162.3	154.9	0	0	111.3	E606 S607 F612 F613 R614	E606-E610 HydrophobicContact CG-CB 3.63Å; S607-E610 WeakPolarHBondContact CB-OE2 3.43Å; S607-E610 PolarHBondContact N-OE2 2.65Å; S607-E610 PolarHBondContact O-N 3.21Å; S607-E610 WeakPolarHBondContact OG-CB 3.41Å; S607-E610 WeakPolarHBondContact OG-CG 3.14Å; S607-E610 PolarHBondContact OG-N 3.17Å; S607-E610 PolarHBondContact OG-OE2 3.29Å; E610-F612 PolarHBondContact O-N 3.35Å; E610-F613 PolarHBondContact O-N 3.18Å; E610-R614 WeakPolarHBondContact O-CB 3.28Å; E610-R614 PolarHBondContact O-N 3.2Å
611	R	88.8	Confident	78.4	Confident	110 Å²	110	91.8 Å²	91.8	42%	0.415	49%	0.486	S	S	.	.	H	α-helix	trans	-59.7	-46.4	172.7	-66.3	-179.7	-161.7	178.9	7.7	111.5	D605 E606 S607 S609 F613 R614 D615	D605-R611 IonicContact OD1-NH2 2.77Å; E606-R611 HydrophobicContact CB-CG 4.31Å; E606-R611 HydrophobicContact CG-CG 3.84Å; E606-R611 PolarHBondContact O-NE 3.15Å; E606-R611 PolarHBondContact O-NH2 2.84Å; E606-R611 WeakPolarHBondContact OE2-CG 3.4Å; E606-R611 IonicContact OE2-NE 3.4Å; S607-R611 PolarHBondContact O-N 3.33Å; S609-R611 VanDerWaalsContact C-N 3.34Å; S609-R611 PolarHBondContact O-N 3.09Å; R611-F613 PolarHBondContact O-N 2.94Å; R611-R614 PolarHBondContact O-N 2.91Å; R611-D615 WeakPolarHBondContact O-CB 3.48Å; R611-D615 PolarHBondContact O-N 3.21Å
612	F	90.4	Very high	81	Confident	36 Å²	36	92.5 Å²	92.5	16%	0.158	48%	0.483	C	S	.	.	H	α-helix	trans	-56.8	-47.9	176.6	173	-93.5	0	0	0	111.7	Y375 P608 S609 E610 D615 W616	Y375-F612 HydrophobicContact CD2-CB 3.64Å; Y375-F612 AromaticContact CD2-CD1 3.44Å; Y375-F612 HydrophobicContact CD2-CD1 3.44Å; Y375-F612 VanDerWaalsContact CD2-CD1 3.44Å; Y375-F612 AromaticContact CD2-CD2 3.68Å; Y375-F612 HydrophobicContact CD2-CD2 3.68Å; Y375-F612 AromaticContact CD2-CE1 3.96Å; Y375-F612 HydrophobicContact CD2-CE1 3.96Å; Y375-F612 HydrophobicContact CD2-CE2 4.16Å; Y375-F612 AromaticContact CD2-CG 3.29Å; Y375-F612 HydrophobicContact CD2-CG 3.29Å; Y375-F612 HydrophobicContact CD2-CZ 4.29Å; Y375-F612 HydrophobicContact CE2-CB 3.53Å; Y375-F612 HydrophobicContact CE2-CD1 4.24Å; Y375-F612 AromaticContact CE2-CD2 3.89Å; Y375-F612 HydrophobicContact CE2-CD2 3.89Å; Y375-F612 AromaticContact CE2-CG 3.63Å; Y375-F612 HydrophobicContact CE2-CG 3.63Å; Y375-F612 HydrophobicContact CG-CD1 4.08Å; Y375-F612 HydrophobicContact CG-CG 4.31Å; P608-F612 WeakPolarHBondContact O-CB 3.14Å; P608-F612 PolarHBondContact O-N 2.8Å; S609-F612 WeakPolarHBondContact O-CB 3.41Å; S609-F612 PolarHBondContact O-N 2.96Å; E610-F612 PolarHBondContact O-N 3.35Å; F612-D615 PolarHBondContact O-N 2.99Å; F612-W616 HydrophobicContact CE1-CE3 4.48Å; F612-W616 HydrophobicContact CE2-CE3 4.35Å; F612-W616 AromaticContact CZ-CE3 3.92Å; F612-W616 HydrophobicContact CZ-CE3 3.92Å; F612-W616 HydrophobicContact CZ-CZ3 4.34Å; F612-W616 VanDerWaalsContact O-CB 3.3Å; F612-W616 WeakPolarHBondContact O-CB 3.47Å; F612-W616 PolarHBondContact O-N 2.71Å
613	F	92.9	Very high	83.2	Confident	33 Å²	33	89 Å²	89	15%	0.145	46%	0.457	C	S	.	.	H	α-helix	trans	-66.9	-42.4	179.7	-62.6	-48.2	0	0	0	112.4	A371 S609 E610 R611 D615 W616 F617 I628	A371-F613 HydrophobicContact CB-CE1 4.25Å; A371-F613 HydrophobicContact CB-CZ 4.21Å; S609-F613 WeakPolarHBondContact O-CD2 3.2Å; S609-F613 WeakPolarHBondContact O-CG 3.39Å; S609-F613 PolarHBondContact O-N 3.39Å; E610-F613 PolarHBondContact O-N 3.18Å; R611-F613 PolarHBondContact O-N 2.94Å; F613-D615 VanDerWaalsContact C-N 3.34Å; F613-D615 PolarHBondContact O-N 2.92Å; F613-W616 WeakPolarHBondContact O-CB 3.36Å; F613-W616 PolarHBondContact O-N 3.48Å; F613-F617 HydrophobicContact CB-CD2 4.32Å; F613-F617 HydrophobicContact CB-CE2 3.96Å; F613-F617 WeakPolarHBondContact O-CD2 3.45Å; F613-F617 WeakPolarHBondContact O-CG 3.4Å; F613-F617 PolarHBondContact O-N 3.46Å; F613-I628 HydrophobicContact CD1-CG2 3.71Å; F613-I628 HydrophobicContact CE1-CD1 4.48Å; F613-I628 HydrophobicContact CE1-CG2 3.88Å
614	R	90.6	Very high	85.3	Confident	127 Å²	127	85.3 Å²	85.3	48%	0.479	43%	0.43	S	S	.	.	H	α-helix	trans	-58.8	-48	175.5	-177.4	-169.5	66.2	-153.3	-7.2	111.3	E606 E610 R611 W616 F617 S618	E606-R614 IonicContact OE1-CZ 2.67Å; E606-R614 IonicContact OE1-NE 2.76Å; E606-R614 IonicContact OE1-NH1 3.41Å; E606-R614 PolarHBondContact OE1-NH1 2.96Å; E606-R614 IonicContact OE2-CZ 3.04Å; E606-R614 IonicContact OE2-NH1 3.67Å; E606-R614 PolarHBondContact OE2-NH1 2.86Å; E606-R614 IonicContact OE2-NH2 2.93Å; E610-R614 WeakPolarHBondContact O-CB 3.28Å; E610-R614 PolarHBondContact O-N 3.2Å; R611-R614 PolarHBondContact O-N 2.91Å; R614-W616 VanDerWaalsContact C-N 3.28Å; R614-W616 PolarHBondContact O-N 2.82Å; R614-F617 PolarHBondContact O-N 3.32Å; R614-S618 PolarHBondContact O-N 3.24Å; R614-S618 VanDerWaalsContact O-N 3.13Å
615	D	88.5	Confident	87	Confident	73 Å²	73	77.4 Å²	77.4	39%	0.39	40%	0.401	S	S	.	.	H	α-helix	trans	-65.9	-34.8	179.1	-67.4	0	0	0	0	110.7	R611 F612 F613 S618	R611-D615 WeakPolarHBondContact O-CB 3.48Å; R611-D615 PolarHBondContact O-N 3.21Å; F612-D615 PolarHBondContact O-N 2.99Å; F613-D615 VanDerWaalsContact C-N 3.34Å; F613-D615 PolarHBondContact O-N 2.92Å; D615-S618 PolarHBondContact O-N 2.94Å; D615-S618 PolarHBondContact O-OG 3.48Å
616	W	89.4	Confident	88.4	Confident	55 Å²	55	71 Å²	71	21%	0.208	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-51.9	173.8	-167.5	-89.5	0	0	0	111.9	F612 F613 R614 S618 R619 V626 I628	F612-W616 HydrophobicContact CE1-CE3 4.48Å; F612-W616 HydrophobicContact CE2-CE3 4.35Å; F612-W616 AromaticContact CZ-CE3 3.92Å; F612-W616 HydrophobicContact CZ-CE3 3.92Å; F612-W616 HydrophobicContact CZ-CZ3 4.34Å; F612-W616 VanDerWaalsContact O-CB 3.3Å; F612-W616 WeakPolarHBondContact O-CB 3.47Å; F612-W616 PolarHBondContact O-N 2.71Å; F613-W616 WeakPolarHBondContact O-CB 3.36Å; F613-W616 PolarHBondContact O-N 3.48Å; R614-W616 VanDerWaalsContact C-N 3.28Å; R614-W616 PolarHBondContact O-N 2.82Å; W616-S618 PolarHBondContact O-N 2.81Å; W616-R619 WeakPolarHBondContact O-CB 3.42Å; W616-R619 PolarHBondContact O-N 2.95Å; W616-V626 HydrophobicContact CH2-CB 3.66Å; W616-V626 HydrophobicContact CH2-CG1 4.25Å; W616-V626 HydrophobicContact CH2-CG2 4.33Å; W616-V626 HydrophobicContact CZ2-CB 3.7Å; W616-V626 HydrophobicContact CZ2-CG1 4.16Å; W616-V626 VanDerWaalsContact CZ2-O 3.28Å; W616-V626 WeakPolarHBondContact CZ2-O 3.32Å; W616-I628 HydrophobicContact CD2-CG1 4.19Å; W616-I628 HydrophobicContact CG-CG1 4.08Å
617	F	91.4	Very high	89.3	Confident	66 Å²	66	68.6 Å²	68.6	29%	0.289	36%	0.356	S	S	.	.	H	α-helix	trans	-69.6	-12.2	-178.8	-63.7	-51.2	0	0	0	113.9	F613 R614 R619 I628 Y630	F613-F617 HydrophobicContact CB-CD2 4.32Å; F613-F617 HydrophobicContact CB-CE2 3.96Å; F613-F617 WeakPolarHBondContact O-CD2 3.45Å; F613-F617 WeakPolarHBondContact O-CG 3.4Å; F613-F617 PolarHBondContact O-N 3.46Å; R614-F617 PolarHBondContact O-N 3.32Å; F617-R619 PolarHBondContact O-N 3.4Å; F617-I628 HydrophobicContact CE1-CB 4.3Å; F617-I628 HydrophobicContact CE1-CG2 4.22Å; F617-I628 HydrophobicContact CZ-CB 4.34Å; F617-I628 HydrophobicContact CZ-CG2 3.76Å; F617-Y630 HydrophobicContact CB-CE1 4.22Å; F617-Y630 HydrophobicContact CD1-CD1 4.1Å; F617-Y630 AromaticContact CD1-CE1 3.34Å; F617-Y630 HydrophobicContact CD1-CE1 3.34Å; F617-Y630 HydrophobicContact CD1-CE2 4.02Å; F617-Y630 AromaticContact CD1-CZ 3.29Å; F617-Y630 WeakPolarHBondContact CD1-OH 3.31Å; F617-Y630 HydrophobicContact CD2-CE1 4.07Å; F617-Y630 AromaticContact CE1-CD1 3.83Å; F617-Y630 HydrophobicContact CE1-CD1 3.83Å; F617-Y630 HydrophobicContact CE1-CD2 4.2Å; F617-Y630 AromaticContact CE1-CE1 3.55Å; F617-Y630 HydrophobicContact CE1-CE1 3.55Å; F617-Y630 AromaticContact CE1-CE2 3.94Å; F617-Y630 HydrophobicContact CE1-CE2 3.94Å; F617-Y630 HydrophobicContact CE1-CG 4.15Å; F617-Y630 AromaticContact CE1-CZ 3.61Å; F617-Y630 HydrophobicContact CE2-CD1 4.3Å; F617-Y630 HydrophobicContact CE2-CE1 4.26Å; F617-Y630 HydrophobicContact CG-CD1 4.44Å; F617-Y630 AromaticContact CG-CE1 3.63Å; F617-Y630 HydrophobicContact CG-CE1 3.63Å; F617-Y630 AromaticContact CG-CZ 3.97Å; F617-Y630 AromaticContact CZ-CD1 3.94Å; F617-Y630 HydrophobicContact CZ-CD1 3.94Å; F617-Y630 HydrophobicContact CZ-CE1 4.01Å; F617-Y630 HydrophobicContact CZ-CG 4.37Å
618	S	89.1	Confident	89.7	Confident	93 Å²	93	67 Å²	67	65%	0.65	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.9	170.9	78.9	0	0	0	0	113.3	R614 D615 W616	R614-S618 PolarHBondContact O-N 3.24Å; R614-S618 VanDerWaalsContact O-N 3.13Å; D615-S618 PolarHBondContact O-N 2.94Å; D615-S618 PolarHBondContact O-OG 3.48Å; W616-S618 PolarHBondContact O-N 2.81Å
619	R	88.9	Confident	90.1	Very high	163 Å²	163	62.9 Å²	62.9	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-100.6	150.6	-176	-57.9	175.2	-171.8	179.2	2.6	111	W616 F617	W616-R619 WeakPolarHBondContact O-CB 3.42Å; W616-R619 PolarHBondContact O-N 2.95Å; F617-R619 PolarHBondContact O-N 3.4Å
620	P	85.6	Confident	90.5	Very high	128 Å²	128	65.7 Å²	65.7	83%	0.831	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-59.2	138.6	169	-20	31.6	0	0	0	111.2	D622	P620-D622 PolarHBondContact O-N 3.14Å
621	A	83.6	Confident	90.7	Very high	52 Å²	52	62.4 Å²	62.4	43%	0.43	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-68.5	121	179.7	0	0	0	0	0	111.9	Y463 Q623	Y463-A621 HydrophobicContact CD1-CB 4.21Å; Y463-A621 HydrophobicContact CE1-CB 3.83Å; A621-Q623 PolarHBondContact O-N 3.22Å; A621-Q623 PolarHBondContact O-NE2 2.96Å
622	D	88.3	Confident	90.8	Very high	101 Å²	101	62.2 Å²	62.2	54%	0.54	32%	0.318	S	S	.	.			trans	-81	107.7	167.6	-179.9	3.7	0	0	0	109.8	P620 Q624 G625	P620-D622 PolarHBondContact O-N 3.14Å; D622-Q624 PolarHBondContact O-N 3.39Å; D622-Q624 VanDerWaalsContact O-N 3.14Å; D622-Q624 PolarHBondContact OD1-N 2.9Å; D622-G625 VanDerWaalsContact CG-N 3.28Å; D622-G625 PolarHBondContact O-N 3.17Å; D622-G625 PolarHBondContact OD1-N 3.12Å; D622-G625 PolarHBondContact OD2-N 2.96Å
623	Q	88.1	Confident	90.7	Very high	45 Å²	45	65.2 Å²	65.2	21%	0.21	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.9	-176.9	-55.8	-59.5	-48.6	0	0	113.2	R411 A465 A466 A621	R411-Q623 PolarHBondContact NH1-O 2.59Å; A465-Q623 HydrophobicContact CB-CG 3.95Å; A466-Q623 HydrophobicContact CB-CB 4.24Å; A466-Q623 VanDerWaalsContact CB-O 3.31Å; A466-Q623 WeakPolarHBondContact CB-O 2.93Å; A621-Q623 PolarHBondContact O-N 3.22Å; A621-Q623 PolarHBondContact O-NE2 2.96Å
624	Q	88.9	Confident	90.4	Very high	62 Å²	62	68.1 Å²	68.1	29%	0.29	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.6	178.1	-66.3	-62.5	-58.6	0	0	112.8	P408 V544 D622	P408-Q624 WeakPolarHBondContact CG-O 3.42Å; V544-Q624 VanDerWaalsContact O-CD 3.23Å; V544-Q624 WeakPolarHBondContact O-CG 3.43Å; V544-Q624 PolarHBondContact O-NE2 2.69Å; D622-Q624 PolarHBondContact O-N 3.39Å; D622-Q624 VanDerWaalsContact O-N 3.14Å; D622-Q624 PolarHBondContact OD1-N 2.9Å
625	G	90.6	Very high	90.3	Very high	17 Å²	17	65.7 Å²	65.7	18%	0.175	36%	0.36	C	S	.	.	S	Bend	trans	-92.2	-157.6	176.8	0	0	0	0	0	112.4	R411 D622	R411-G625 VanDerWaalsContact CZ-O 3.28Å; R411-G625 PolarHBondContact NH1-O 3.06Å; R411-G625 PolarHBondContact NH2-O 2.72Å; D622-G625 VanDerWaalsContact CG-N 3.28Å; D622-G625 PolarHBondContact O-N 3.17Å; D622-G625 PolarHBondContact OD1-N 3.12Å; D622-G625 PolarHBondContact OD2-N 2.96Å
626	V	94.4	Very high	90.5	Very high	17 Å²	17	62.7 Å²	62.7	10%	0.103	34%	0.344	C	S	.	.			trans	-68.6	137.8	175.2	179	0	0	0	0	109.9	V374 M405 L406 W616 I628	V374-V626 HydrophobicContact CG1-CG1 3.71Å; M405-V626 CarbonylContact O-C 3.5Å; M405-V626 VanDerWaalsContact O-CA 3.28Å; M405-V626 WeakPolarHBondContact O-CA 3.4Å; L406-V626 HydrophobicContact CD2-CG1 4.03Å; L406-V626 HydrophobicContact CD2-CG2 3.75Å; W616-V626 HydrophobicContact CH2-CB 3.66Å; W616-V626 HydrophobicContact CH2-CG1 4.25Å; W616-V626 HydrophobicContact CH2-CG2 4.33Å; W616-V626 HydrophobicContact CZ2-CB 3.7Å; W616-V626 HydrophobicContact CZ2-CG1 4.16Å; W616-V626 VanDerWaalsContact CZ2-O 3.28Å; W616-V626 WeakPolarHBondContact CZ2-O 3.32Å; V626-I628 HydrophobicContact CG1-CD1 3.89Å; V626-I628 HydrophobicContact CG1-CG1 4.34Å
627	L	95.6	Very high	90.6	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.35	C	S	.	.			trans	-113	128.2	173.7	-58	178.8	0	0	0	109.2	M405 R411 Y463 A466 F467	M405-L627 VanDerWaalsContact CB-O 3.22Å; M405-L627 WeakPolarHBondContact CB-O 3.41Å; M405-L627 VanDerWaalsContact CG-O 3.26Å; M405-L627 WeakPolarHBondContact CG-O 3.3Å; M405-L627 PolarHBondContact O-N 3.44Å; R411-L627 VanDerWaalsContact CZ-CD1 3.4Å; R411-L627 VanDerWaalsContact CZ-CG 3.48Å; Y463-L627 HydrophobicContact CD1-CD2 3.86Å; Y463-L627 HydrophobicContact CD2-CB 4.22Å; Y463-L627 HydrophobicContact CD2-CD1 4.18Å; Y463-L627 HydrophobicContact CD2-CD2 4.3Å; Y463-L627 HydrophobicContact CD2-CG 4.46Å; Y463-L627 HydrophobicContact CE1-CD2 4.19Å; Y463-L627 HydrophobicContact CE2-CB 4.18Å; Y463-L627 HydrophobicContact CG-CD1 4.16Å; Y463-L627 HydrophobicContact CG-CD2 3.92Å; Y463-L627 HydrophobicContact CG-CG 4.47Å; A466-L627 HydrophobicContact CB-CD1 3.7Å; A466-L627 HydrophobicContact CB-CD2 4.39Å; F467-L627 HydrophobicContact CE2-CD1 3.89Å; F467-L627 HydrophobicContact CZ-CD1 4.21Å
628	I	96.6	Very high	90.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.34	C	S	.	.			trans	-115	121.1	174.2	-57	-60.1	0	0	0	108.1	A371 V374 Y463 F613 W616 F617 V626	A371-I628 HydrophobicContact CB-CG2 4.29Å; V374-I628 HydrophobicContact CB-CD1 4.16Å; V374-I628 HydrophobicContact CG1-CD1 3.47Å; V374-I628 VanDerWaalsContact CG1-CD1 3.47Å; Y463-I628 PolarHBondContact OH-O 3.46Å; F613-I628 HydrophobicContact CD1-CG2 3.71Å; F613-I628 HydrophobicContact CE1-CD1 4.48Å; F613-I628 HydrophobicContact CE1-CG2 3.88Å; W616-I628 HydrophobicContact CD2-CG1 4.19Å; W616-I628 HydrophobicContact CG-CG1 4.08Å; F617-I628 HydrophobicContact CE1-CB 4.3Å; F617-I628 HydrophobicContact CE1-CG2 4.22Å; F617-I628 HydrophobicContact CZ-CB 4.34Å; F617-I628 HydrophobicContact CZ-CG2 3.76Å; V626-I628 HydrophobicContact CG1-CD1 3.89Å; V626-I628 HydrophobicContact CG1-CG1 4.34Å
629	P	96.3	Very high	90.7	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.019	31%	0.309	C	S	.	.			trans	-68.6	144.7	179.3	27.7	-34.3	0	0	0	111.8	L367 A371 M405 L459 V631	L367-P629 HydrophobicContact CB-CB 4.47Å; L367-P629 HydrophobicContact CB-CG 4.06Å; L367-P629 HydrophobicContact CD2-CB 4.27Å; L367-P629 HydrophobicContact CD2-CG 4.17Å; A371-P629 HydrophobicContact CB-CG 4.32Å; M405-P629 HydrophobicContact CE-CG 3.63Å; M405-P629 HydrophobicContact SD-CG 4.46Å; L459-P629 HydrophobicContact CD2-CB 3.81Å; L459-P629 HydrophobicContact CD2-CG 4.27Å; P629-V631 HydrophobicContact CB-CG1 4.1Å; P629-V631 HydrophobicContact CG-CG1 3.93Å; P629-V631 PolarHBondContact O-N 3.18Å
630	Y	94.1	Very high	90.6	Very high	88 Å²	88	53.2 Å²	53.2	35%	0.345	30%	0.302	S	S	.	.			trans	-74.9	117.5	160.1	-66.5	-84.7	0	0	0	108.9	Q462 F617 H635	Q462-Y630 PolarHBondContact NE2-O 3.01Å; F617-Y630 HydrophobicContact CB-CE1 4.22Å; F617-Y630 HydrophobicContact CD1-CD1 4.1Å; F617-Y630 AromaticContact CD1-CE1 3.34Å; F617-Y630 HydrophobicContact CD1-CE1 3.34Å; F617-Y630 HydrophobicContact CD1-CE2 4.02Å; F617-Y630 AromaticContact CD1-CZ 3.29Å; F617-Y630 WeakPolarHBondContact CD1-OH 3.31Å; F617-Y630 HydrophobicContact CD2-CE1 4.07Å; F617-Y630 AromaticContact CE1-CD1 3.83Å; F617-Y630 HydrophobicContact CE1-CD1 3.83Å; F617-Y630 HydrophobicContact CE1-CD2 4.2Å; F617-Y630 AromaticContact CE1-CE1 3.55Å; F617-Y630 HydrophobicContact CE1-CE1 3.55Å; F617-Y630 AromaticContact CE1-CE2 3.94Å; F617-Y630 HydrophobicContact CE1-CE2 3.94Å; F617-Y630 HydrophobicContact CE1-CG 4.15Å; F617-Y630 AromaticContact CE1-CZ 3.61Å; F617-Y630 HydrophobicContact CE2-CD1 4.3Å; F617-Y630 HydrophobicContact CE2-CE1 4.26Å; F617-Y630 HydrophobicContact CG-CD1 4.44Å; F617-Y630 AromaticContact CG-CE1 3.63Å; F617-Y630 HydrophobicContact CG-CE1 3.63Å; F617-Y630 AromaticContact CG-CZ 3.97Å; F617-Y630 AromaticContact CZ-CD1 3.94Å; F617-Y630 HydrophobicContact CZ-CD1 3.94Å; F617-Y630 HydrophobicContact CZ-CE1 4.01Å; F617-Y630 HydrophobicContact CZ-CG 4.37Å; Y630-H635 WeakPolarHBondContact O-CB 3.41Å
631	V	92.9	Very high	90.6	Very high	37 Å²	37	50.8 Å²	50.8	22%	0.224	28%	0.282	C	S	.	.			trans	-111.6	19.7	-173.2	-62.2	0	0	0	0	113.5	R364 L367 K368 P629	R364-V631 WeakPolarHBondContact CD-O 3.42Å; R364-V631 HydrophobicContact CG-CB 4.08Å; R364-V631 WeakPolarHBondContact CG-O 3.39Å; L367-V631 HydrophobicContact CB-CG1 3.79Å; K368-V631 HydrophobicContact CB-CG1 4.5Å; K368-V631 HydrophobicContact CB-CG2 4.41Å; K368-V631 HydrophobicContact CG-CG2 4.44Å; P629-V631 HydrophobicContact CB-CG1 4.1Å; P629-V631 HydrophobicContact CG-CG1 3.93Å; P629-V631 PolarHBondContact O-N 3.18Å
632	L	90.8	Very high	90.8	Very high	107 Å²	107	48.5 Å²	48.5	56%	0.56	26%	0.262	S	S	*	.	S	Bend	trans	-74.4	150.3	168.7	-63.4	169.7	0	0	0	109.6	S634 H635 V636	L632-S634 PolarHBondContact O-N 3.4Å; L632-H635 PolarHBondContact O-N 2.96Å; L632-V636 PolarHBondContact O-N 3.44Å
633	P	87.5	Confident	90.8	Very high	98 Å²	98	43.8 Å²	43.8	64%	0.636	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.6	178.8	-28.8	35.9	0	0	0	114.3	H635	P633-H635 VanDerWaalsContact C-N 3.29Å; P633-H635 PolarHBondContact O-N 3.34Å
634	S	86.8	Confident	90.6	Very high	95 Å²	95	43.7 Å²	43.7	66%	0.664	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.1	177.3	55.5	0	0	0	0	115	L632	L632-S634 PolarHBondContact O-N 3.4Å
635	H	89.6	Confident	90.1	Very high	75 Å²	75	43 Å²	43	35%	0.347	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-15.4	-178.2	-64.5	116.5	0	0	0	113.4	Q462 Y630 L632 P633	Q462-H635 PolarHBondContact NE2-O 2.75Å; Y630-H635 WeakPolarHBondContact O-CB 3.41Å; L632-H635 PolarHBondContact O-N 2.96Å; P633-H635 VanDerWaalsContact C-N 3.29Å; P633-H635 PolarHBondContact O-N 3.34Å
636	V	92	Very high	89.5	Confident	10 Å²	10	48.1 Å²	48.1	6%	0.061	25%	0.246	C	C	.	.			trans	-96.1	116.5	173.7	-179.6	0	0	0	0	107.5	L360 V363 R364 Q458 L632	L360-V636 HydrophobicContact CB-CG1 4.27Å; L360-V636 HydrophobicContact CD2-CG1 4.24Å; V363-V636 HydrophobicContact CB-CG1 4.44Å; V363-V636 HydrophobicContact CG1-CG1 3.99Å; R364-V636 HydrophobicContact CB-CG2 4.17Å; R364-V636 HydrophobicContact CG-CG2 4.27Å; Q458-V636 HydrophobicContact CG-CG1 4.35Å; L632-V636 PolarHBondContact O-N 3.44Å
637	V	91.1	Very high	88.4	Confident	56 Å²	56	49.5 Å²	49.5	34%	0.339	26%	0.255	S	S	.	.			trans	-112.6	161.6	-173.7	-75.2	0	0	0	0	110.7	W457 Q458 W639	W457-V637 HydrophobicContact CH2-CB 4.33Å; W457-V637 HydrophobicContact CH2-CG2 3.46Å; W457-V637 VanDerWaalsContact CH2-CG2 3.46Å; W457-V637 HydrophobicContact CZ3-CG2 3.66Å; W457-V637 WeakPolarHBondContact CZ3-O 3.4Å; Q458-V637 PolarHBondContact NE2-O 2.92Å; Q458-V637 VanDerWaalsContact OE1-N 3.11Å; V637-W639 PolarHBondContact O-N 3.42Å
638	L	91.2	Very high	87	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	27%	0.27	C	S	.	.			trans	-71.6	130.4	174.3	-175.5	69.7	0	0	0	110.2	W350 M354 L360 W457 K640 F643 L644	W350-L638 HydrophobicContact CH2-CD2 3.62Å; W350-L638 HydrophobicContact CZ2-CD2 3.65Å; M354-L638 HydrophobicContact SD-CD1 4.23Å; L360-L638 HydrophobicContact CD2-CD1 4.5Å; W457-L638 VanDerWaalsContact CH2-O 3.31Å; W457-L638 WeakPolarHBondContact CH2-O 3.31Å; L638-K640 WeakPolarHBondContact O-CG 3.34Å; L638-K640 PolarHBondContact O-N 3.12Å; L638-F643 HydrophobicContact CD1-CB 4.13Å; L638-F643 HydrophobicContact CD1-CD2 3.48Å; L638-F643 VanDerWaalsContact CD1-CD2 3.48Å; L638-F643 HydrophobicContact CD1-CE2 4.01Å; L638-F643 HydrophobicContact CD1-CG 3.81Å; L638-F643 HydrophobicContact CD2-CB 4.18Å; L638-F643 HydrophobicContact CG-CB 4.21Å; L638-F643 HydrophobicContact CG-CD2 4.14Å; L638-F643 HydrophobicContact CG-CG 4.39Å; L638-L644 HydrophobicContact CD2-CD1 4.26Å; L638-L644 HydrophobicContact CD2-CG 4.39Å
639	W	92.6	Very high	85.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.			trans	-68.7	87.2	173.3	-175.1	8.8	0	0	0	111.4	L453 D454 W457 E471 L474 T475 V637 L641 F642 F643	L453-W639 HydrophobicContact CB-CH2 4.12Å; L453-W639 HydrophobicContact CB-CZ3 3.81Å; D454-W639 HydrophobicContact CB-CE3 4.14Å; W457-W639 HydrophobicContact CB-CD2 4.03Å; W457-W639 HydrophobicContact CB-CE3 4.27Å; W457-W639 HydrophobicContact CB-CG 4.35Å; W457-W639 AromaticContact CD1-CD1 3.73Å; W457-W639 AromaticContact CD1-CE2 3.98Å; W457-W639 AromaticContact CD1-NE1 3.61Å; W457-W639 HydrophobicContact CD2-CB 3.83Å; W457-W639 AromaticContact CD2-CD1 3.58Å; W457-W639 HydrophobicContact CD2-CD2 4.23Å; W457-W639 AromaticContact CD2-CG 3.62Å; W457-W639 HydrophobicContact CD2-CG 3.62Å; W457-W639 AromaticContact CE2-CD1 3.48Å; W457-W639 VanDerWaalsContact CE2-CD1 3.48Å; W457-W639 AromaticContact CE2-CG 3.98Å; W457-W639 HydrophobicContact CE3-CB 3.58Å; W457-W639 AromaticContact CE3-CG 3.91Å; W457-W639 HydrophobicContact CE3-CG 3.91Å; W457-W639 HydrophobicContact CG-CB 4.45Å; W457-W639 AromaticContact CG-CD1 3.73Å; W457-W639 AromaticContact CG-CD2 3.91Å; W457-W639 HydrophobicContact CG-CD2 3.91Å; W457-W639 AromaticContact CG-CE2 3.96Å; W457-W639 AromaticContact CG-CG 3.81Å; W457-W639 HydrophobicContact CG-CG 3.81Å; W457-W639 AromaticContact CG-NE1 3.88Å; W457-W639 HydrophobicContact CH2-CB 4.29Å; W457-W639 VanDerWaalsContact CZ3-CA 3.49Å; W457-W639 HydrophobicContact CZ3-CB 3.83Å; W457-W639 HydrophobicContact CZ3-CG 4.48Å; W457-W639 AromaticContact NE1-CD1 3.56Å; W457-W639 AromaticContact NE1-NE1 3.75Å; E471-W639 HydrophobicContact CG-CZ2 4.32Å; E471-W639 PolarHBondContact OE1-NE1 2.93Å; L474-W639 HydrophobicContact CB-CH2 3.63Å; L474-W639 HydrophobicContact CB-CZ2 3.68Å; T475-W639 WeakPolarHBondContact OG1-CZ2 3.4Å; V637-W639 PolarHBondContact O-N 3.42Å; W639-L641 PolarHBondContact O-N 3.31Å; W639-F642 HydrophobicContact CB-CB 4.26Å; W639-F642 HydrophobicContact CD2-CB 3.36Å; W639-F642 HydrophobicContact CD2-CG 4.17Å; W639-F642 HydrophobicContact CE3-CB 3.67Å; W639-F642 HydrophobicContact CE3-CD2 4.4Å; W639-F642 AromaticContact CE3-CG 3.97Å; W639-F642 HydrophobicContact CE3-CG 3.97Å; W639-F642 HydrophobicContact CG-CB 3.63Å; W639-F642 HydrophobicContact CH2-CB 4.42Å; W639-F642 HydrophobicContact CH2-CD2 4.27Å; W639-F642 HydrophobicContact CZ2-CB 4.18Å; W639-F642 HydrophobicContact CZ3-CB 4.18Å; W639-F642 HydrophobicContact CZ3-CD2 4.14Å; W639-F642 HydrophobicContact CZ3-CG 4.18Å; W639-F642 PolarHBondContact O-N 3.03Å; W639-F642 VanDerWaalsContact O-N 3.13Å; W639-F643 HydrophobicContact CB-CD2 4.26Å; W639-F643 PolarHBondContact O-N 3.38Å
640	K	85.9	Confident	83.7	Confident	107 Å²	107	56.8 Å²	56.8	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-42.1	-170	-64.1	-176.3	-176.6	176.7	0	113.5	L638 F642 L644 F746	L638-K640 WeakPolarHBondContact O-CG 3.34Å; L638-K640 PolarHBondContact O-N 3.12Å; K640-F642 PolarHBondContact O-N 2.76Å; K640-L644 HydrophobicContact CG-CD1 4.46Å; K640-L644 WeakPolarHBondContact O-CA 3.34Å; K640-L644 PolarHBondContact O-N 3.4Å; K640-F746 VanDerWaalsContact NZ-CZ 3.27Å
641	L	85.1	Confident	81.9	Confident	76 Å²	76	55.1 Å²	55.1	40%	0.398	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-11.5	178.2	-164.1	69	0	0	0	112.7	E471 A472 W639 R645	E471-L641 HydrophobicContact CB-CD2 4.35Å; E471-L641 HydrophobicContact CG-CB 4.02Å; E471-L641 HydrophobicContact CG-CD2 3.76Å; E471-L641 WeakPolarHBondContact OE1-CB 3.1Å; E471-L641 PolarHBondContact OE1-N 3.02Å; A472-L641 HydrophobicContact CB-CD2 4.49Å; W639-L641 PolarHBondContact O-N 3.31Å; L641-R645 WeakPolarHBondContact O-CB 3.17Å; L641-R645 VanDerWaalsContact O-CD 3.25Å; L641-R645 WeakPolarHBondContact O-CD 3.45Å
642	F	88.9	Confident	80.4	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-93	-65	168.3	-174.1	-95.5	0	0	0	109.9	L140 F331 T450 S478 W639 K640 L644 R645	L140-F642 HydrophobicContact CD1-CD1 3.86Å; L140-F642 HydrophobicContact CD1-CE1 3.78Å; L140-F642 HydrophobicContact CD1-CG 4.49Å; L140-F642 HydrophobicContact CD1-CZ 4.35Å; L140-F642 WeakPolarHBondContact CD1-O 3.28Å; F331-F642 HydrophobicContact CE2-CE1 4.04Å; F331-F642 HydrophobicContact CZ-CE1 4.29Å; T450-F642 HydrophobicContact CG2-CE1 3.72Å; T450-F642 HydrophobicContact CG2-CE2 4.2Å; T450-F642 HydrophobicContact CG2-CZ 3.5Å; S478-F642 WeakPolarHBondContact OG-CE2 3.49Å; W639-F642 HydrophobicContact CB-CB 4.26Å; W639-F642 HydrophobicContact CD2-CB 3.36Å; W639-F642 HydrophobicContact CD2-CG 4.17Å; W639-F642 HydrophobicContact CE3-CB 3.67Å; W639-F642 HydrophobicContact CE3-CD2 4.4Å; W639-F642 AromaticContact CE3-CG 3.97Å; W639-F642 HydrophobicContact CE3-CG 3.97Å; W639-F642 HydrophobicContact CG-CB 3.63Å; W639-F642 HydrophobicContact CH2-CB 4.42Å; W639-F642 HydrophobicContact CH2-CD2 4.27Å; W639-F642 HydrophobicContact CZ2-CB 4.18Å; W639-F642 HydrophobicContact CZ3-CB 4.18Å; W639-F642 HydrophobicContact CZ3-CD2 4.14Å; W639-F642 HydrophobicContact CZ3-CG 4.18Å; W639-F642 PolarHBondContact O-N 3.03Å; W639-F642 VanDerWaalsContact O-N 3.13Å; K640-F642 PolarHBondContact O-N 2.76Å; F642-L644 PolarHBondContact O-N 3.39Å; F642-R645 WeakPolarHBondContact O-CD 3.18Å; F642-R645 WeakPolarHBondContact O-CG 3.41Å
643	F	87.8	Confident	78.9	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-68.5	-32.4	-168.8	-78.7	-76.3	0	0	0	115.2	L140 F331 A334 C338 W359 L638 W639	L140-F643 HydrophobicContact CD1-CD1 4.33Å; F331-F643 HydrophobicContact CD2-CE1 4.31Å; F331-F643 HydrophobicContact CD2-CZ 4.3Å; F331-F643 AromaticContact CE2-CE1 3.98Å; F331-F643 HydrophobicContact CE2-CE1 3.98Å; F331-F643 HydrophobicContact CE2-CZ 4.08Å; A334-F643 HydrophobicContact CB-CE1 4.09Å; C338-F643 HydrophobicContact CB-CB 4.33Å; C338-F643 HydrophobicContact CB-CD1 4.49Å; C338-F643 WeakPolarHBondContact CB-O 3.29Å; W359-F643 AromaticContact CD1-CZ 3.8Å; W359-F643 HydrophobicContact CD2-CZ 4.4Å; W359-F643 AromaticContact CE2-CZ 3.77Å; W359-F643 HydrophobicContact CG-CZ 4.4Å; W359-F643 HydrophobicContact CZ2-CZ 4.26Å; W359-F643 AromaticContact NE1-CE2 3.52Å; W359-F643 AromaticContact NE1-CZ 3.39Å; L638-F643 HydrophobicContact CD1-CB 4.13Å; L638-F643 HydrophobicContact CD1-CD2 3.48Å; L638-F643 VanDerWaalsContact CD1-CD2 3.48Å; L638-F643 HydrophobicContact CD1-CE2 4.01Å; L638-F643 HydrophobicContact CD1-CG 3.81Å; L638-F643 HydrophobicContact CD2-CB 4.18Å; L638-F643 HydrophobicContact CG-CB 4.21Å; L638-F643 HydrophobicContact CG-CD2 4.14Å; L638-F643 HydrophobicContact CG-CG 4.39Å; W639-F643 HydrophobicContact CB-CD2 4.26Å; W639-F643 PolarHBondContact O-N 3.38Å
644	L	83.1	Confident	77.5	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.225	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	9.9	-171.6	-58.2	177.4	0	0	0	113.3	C338 L638 K640 F642 W646 V647	C338-L644 HydrophobicContact CB-CD2 3.89Å; L638-L644 HydrophobicContact CD2-CD1 4.26Å; L638-L644 HydrophobicContact CD2-CG 4.39Å; K640-L644 HydrophobicContact CG-CD1 4.46Å; K640-L644 WeakPolarHBondContact O-CA 3.34Å; K640-L644 PolarHBondContact O-N 3.4Å; F642-L644 PolarHBondContact O-N 3.39Å; L644-W646 PolarHBondContact O-N 2.95Å; L644-W646 VanDerWaalsContact O-N 3.14Å; L644-V647 HydrophobicContact CB-CG2 4.33Å; L644-V647 HydrophobicContact CD2-CG2 4.13Å; L644-V647 WeakPolarHBondContact O-CB 3.33Å; L644-V647 PolarHBondContact O-N 2.84Å
645	R	78.8	Confident	76.2	Confident	48 Å²	48	58.2 Å²	58.2	18%	0.181	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.5	-172	70.2	-170.6	179.4	156.5	1	115.9	D139 D479 L641 F642	D139-R645 PolarHBondContact O-NE 3.32Å; D139-R645 PolarHBondContact O-NH2 2.87Å; D139-R645 IonicContact OD2-NH2 3.02Å; D479-R645 IonicContact OD1-CZ 3.95Å; D479-R645 VanDerWaalsContact OD1-CZ 3.26Å; D479-R645 IonicContact OD1-NH1 3.59Å; D479-R645 PolarHBondContact OD1-NH1 3.15Å; D479-R645 IonicContact OD1-NH2 2.84Å; D479-R645 PolarHBondContact OD1-NH2 3.45Å; D479-R645 IonicContact OD2-CZ 3.06Å; D479-R645 IonicContact OD2-NH1 2.86Å; D479-R645 PolarHBondContact OD2-NH1 2.96Å; D479-R645 IonicContact OD2-NH2 3.7Å; L641-R645 WeakPolarHBondContact O-CB 3.17Å; L641-R645 VanDerWaalsContact O-CD 3.25Å; L641-R645 WeakPolarHBondContact O-CD 3.45Å; F642-R645 WeakPolarHBondContact O-CD 3.18Å; F642-R645 WeakPolarHBondContact O-CG 3.41Å
646	W	77.8	Confident	75	Confident	123 Å²	123	56.1 Å²	56.1	47%	0.466	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.4	177.8	-53.2	117.9	0	0	0	112.7	D139 R141 L644 P648	D139-W646 PolarHBondContact O-NE1 2.9Å; R141-W646 HydrophobicContact CG-CD2 3.5Å; R141-W646 VanDerWaalsContact CG-CD2 3.5Å; R141-W646 HydrophobicContact CG-CE3 4.16Å; R141-W646 HydrophobicContact CG-CG 3.7Å; R141-W646 HydrophobicContact CG-CH2 4.38Å; R141-W646 HydrophobicContact CG-CZ2 3.74Å; R141-W646 VanDerWaalsContact CG-NE1 3.27Å; L644-W646 PolarHBondContact O-N 2.95Å; L644-W646 VanDerWaalsContact O-N 3.14Å; W646-P648 WeakPolarHBondContact O-CD 3.49Å
647	V	72.6	Confident	73.5	Confident	46 Å²	46	57.8 Å²	57.8	28%	0.279	32%	0.315	S	S	.	.	S	Bend	trans	-78.9	122.8	173.2	-176.7	0	0	0	0	107.5	L644 E649 T741	L644-V647 HydrophobicContact CB-CG2 4.33Å; L644-V647 HydrophobicContact CD2-CG2 4.13Å; L644-V647 WeakPolarHBondContact O-CB 3.33Å; L644-V647 PolarHBondContact O-N 2.84Å; V647-E649 PolarHBondContact O-N 3.2Å; V647-T741 HydrophobicContact CG1-CG2 3.94Å
648	P	64.7	Low	72.3	Confident	53 Å²	53	55.9 Å²	55.9	34%	0.344	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-56.5	131	178.1	-24.9	34.2	0	0	0	111.5	W646 A650	W646-P648 WeakPolarHBondContact O-CD 3.49Å; P648-A650 PolarHBondContact O-N 3.19Å
649	E	61.1	Low	70.9	Confident	102 Å²	102	57.1 Å²	57.1	48%	0.477	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-66.1	134.4	173.7	-68.9	-167.5	179.4	0	0	110	V647 C651 P657 T659	V647-E649 PolarHBondContact O-N 3.2Å; E649-C651 PolarHBondContact O-N 3.24Å; E649-C651 PolarHBondContact O-SG 2.81Å; E649-C651 VanDerWaalsContact O-SG 3.35Å; E649-P657 HydrophobicContact CB-CB 4.31Å; E649-P657 WeakPolarHBondContact OE2-CB 3.46Å; E649-T659 PolarHBondContact OE2-OG1 3.47Å
650	A	62.9	Low	69.5	Low	5 Å²	5	60.9 Å²	60.9	4%	0.041	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.1	124.1	172	0	0	0	0	0	110.1	P648 A658 T741 I743	P648-A650 PolarHBondContact O-N 3.19Å; A650-A658 WeakPolarHBondContact O-CB 3.36Å; A650-A658 PolarHBondContact O-N 3.1Å; A650-T741 WeakPolarHBondContact CB-O 3.05Å; A650-I743 HydrophobicContact CB-CD1 3.89Å; A650-I743 HydrophobicContact CB-CG1 3.99Å
651	C	57.8	Low	68.6	Low	54 Å²	54	61.4 Å²	61.4	37%	0.365	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.8	179.9	-69.6	0	0	0	0	110	E649 G656	E649-C651 PolarHBondContact O-N 3.24Å; E649-C651 PolarHBondContact O-SG 2.81Å; E649-C651 VanDerWaalsContact O-SG 3.35Å; C651-G656 CarbonylContact C-O 3.58Å; C651-G656 WeakPolarHBondContact CA-O 3.47Å
652	I	61.3	Low	67.7	Low	67 Å²	67	60.4 Å²	60.4	34%	0.344	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.9	166.1	-57.7	174.2	0	0	0	106.3	H654 G655 G656 A658	I652-H654 PolarHBondContact O-N 3.47Å; I652-H654 VanDerWaalsContact O-N 3.15Å; I652-G655 PolarHBondContact O-N 3.08Å; I652-G656 PolarHBondContact N-O 2.8Å; I652-G656 PolarHBondContact O-N 3.12Å; I652-G656 VanDerWaalsContact O-N 3.13Å; I652-A658 HydrophobicContact CD1-CB 4.41Å; I652-A658 HydrophobicContact CG1-CB 4.23Å
653	P	57.6	Low	66.6	Low	82 Å²	82	66.9 Å²	66.9	53%	0.532	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	124.4	176.3	-27.1	34.7	0	0	0	110.6	G655	P653-G655 PolarHBondContact O-N 2.65Å
654	H	59.9	Low	65.7	Low	205 Å²	205	70.4 Å²	70.4	95%	0.949	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-4.9	-174.9	-47.1	-73.2	0	0	0	116.6	I652	I652-H654 PolarHBondContact O-N 3.47Å; I652-H654 VanDerWaalsContact O-N 3.15Å
655	G	57.4	Low	65.1	Low	48 Å²	48	69.9 Å²	69.9	50%	0.495	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-8.5	178.8	0	0	0	0	0	114.7	I652 P653	I652-G655 PolarHBondContact O-N 3.08Å; P653-G655 PolarHBondContact O-N 2.65Å
656	G	64.6	Low	64.6	Low	30 Å²	30	72.5 Å²	72.5	31%	0.309	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-163	-178.1	0	0	0	0	0	113	C651 I652 A658	C651-G656 CarbonylContact C-O 3.58Å; C651-G656 WeakPolarHBondContact CA-O 3.47Å; I652-G656 PolarHBondContact N-O 2.8Å; I652-G656 PolarHBondContact O-N 3.12Å; I652-G656 VanDerWaalsContact O-N 3.13Å; G656-A658 PolarHBondContact O-N 3.27Å
657	P	62.2	Low	64.3	Low	45 Å²	45	71.2 Å²	71.2	29%	0.292	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	132.3	-175.6	-19.3	31.1	0	0	0	113	E649 T659 V660 Y661	E649-P657 HydrophobicContact CB-CB 4.31Å; E649-P657 WeakPolarHBondContact OE2-CB 3.46Å; P657-T659 PolarHBondContact O-N 2.76Å; P657-V660 HydrophobicContact CB-CG2 4.09Å; P657-V660 HydrophobicContact CG-CG2 4.25Å; P657-V660 WeakPolarHBondContact O-CB 3.39Å; P657-V660 PolarHBondContact O-N 3.01Å; P657-V660 VanDerWaalsContact O-N 3.09Å; P657-Y661 PolarHBondContact O-N 2.96Å
658	A	64.9	Low	64.4	Low	16 Å²	16	72 Å²	72	13%	0.132	40%	0.4	C	S	.	.	H	α-helix	trans	-61.4	-28.8	-179.4	0	0	0	0	0	112.7	A650 I652 G656 Y661 H662 I743	A650-A658 WeakPolarHBondContact O-CB 3.36Å; A650-A658 PolarHBondContact O-N 3.1Å; I652-A658 HydrophobicContact CD1-CB 4.41Å; I652-A658 HydrophobicContact CG1-CB 4.23Å; G656-A658 PolarHBondContact O-N 3.27Å; A658-Y661 PolarHBondContact O-N 3.06Å; A658-H662 PolarHBondContact O-N 2.98Å; A658-I743 HydrophobicContact CB-CD1 3.65Å; A658-I743 HydrophobicContact CB-CG1 4.27Å
659	T	61.9	Low	64.7	Low	42 Å²	42	71.9 Å²	71.9	26%	0.258	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-41.5	174.8	54.4	0	0	0	0	112.2	E649 P657 H662 K663	E649-T659 PolarHBondContact OE2-OG1 3.47Å; P657-T659 PolarHBondContact O-N 2.76Å; T659-H662 PolarHBondContact O-N 2.86Å; T659-K663 WeakPolarHBondContact O-CG 3.29Å; T659-K663 PolarHBondContact O-N 3.34Å
660	V	64.3	Low	65.4	Low	80 Å²	80	72.5 Å²	72.5	49%	0.485	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-45.9	177.3	175.2	0	0	0	0	109.1	P657 H662 K663 V664	P657-V660 HydrophobicContact CB-CG2 4.09Å; P657-V660 HydrophobicContact CG-CG2 4.25Å; P657-V660 WeakPolarHBondContact O-CB 3.39Å; P657-V660 PolarHBondContact O-N 3.01Å; P657-V660 VanDerWaalsContact O-N 3.09Å; V660-H662 VanDerWaalsContact C-N 3.34Å; V660-H662 PolarHBondContact O-N 3.39Å; V660-K663 PolarHBondContact O-N 2.77Å; V660-V664 HydrophobicContact CG1-CG2 4.3Å; V660-V664 WeakPolarHBondContact O-CB 3.26Å; V660-V664 WeakPolarHBondContact O-CG2 3.28Å; V660-V664 PolarHBondContact O-N 3.05Å
661	Y	65.4	Low	66.2	Low	117 Å²	117	76.6 Å²	76.6	46%	0.459	42%	0.42	S	S	.	.	H	α-helix	trans	-58.1	-46.2	175.8	-174.7	-91.7	0	0	0	111.9	P657 A658 V664 S665	P657-Y661 PolarHBondContact O-N 2.96Å; A658-Y661 PolarHBondContact O-N 3.06Å; Y661-V664 PolarHBondContact O-N 3.07Å; Y661-S665 PolarHBondContact O-N 2.83Å
662	H	65.9	Low	67.2	Low	56 Å²	56	77.9 Å²	77.9	26%	0.259	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-46.9	177.7	-177.3	67.2	0	0	0	112.7	A658 T659 V660 V664 S665 Q666	A658-H662 PolarHBondContact O-N 2.98Å; T659-H662 PolarHBondContact O-N 2.86Å; V660-H662 VanDerWaalsContact C-N 3.34Å; V660-H662 PolarHBondContact O-N 3.39Å; H662-V664 VanDerWaalsContact C-N 3.34Å; H662-V664 PolarHBondContact O-N 3.21Å; H662-S665 WeakPolarHBondContact O-CB 3.48Å; H662-S665 PolarHBondContact O-N 3.27Å; H662-Q666 VanDerWaalsContact NE2-CD 3.34Å; H662-Q666 PolarHBondContact NE2-NE2 2.91Å; H662-Q666 WeakPolarHBondContact O-CG 3.5Å; H662-Q666 PolarHBondContact O-N 3.29Å
663	K	65.7	Low	68.2	Low	139 Å²	139	78 Å²	78	60%	0.604	43%	0.425	S	S	*	.	H	α-helix	trans	-62.4	-41.4	177.4	-76.6	-176.4	177.9	-179	0	111.9	T659 V660 S665 Q666 L667	T659-K663 WeakPolarHBondContact O-CG 3.29Å; T659-K663 PolarHBondContact O-N 3.34Å; V660-K663 PolarHBondContact O-N 2.77Å; K663-S665 VanDerWaalsContact C-N 3.33Å; K663-Q666 PolarHBondContact O-N 3.49Å; K663-L667 WeakPolarHBondContact O-CB 3.23Å; K663-L667 WeakPolarHBondContact O-CG 3.45Å; K663-L667 PolarHBondContact O-N 3.5Å
664	V	70.8	Confident	69.3	Low	77 Å²	77	78.7 Å²	78.7	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.8	171.2	0	0	0	0	110	V660 Y661 H662 Q666 L667 V668	V660-V664 HydrophobicContact CG1-CG2 4.3Å; V660-V664 WeakPolarHBondContact O-CB 3.26Å; V660-V664 WeakPolarHBondContact O-CG2 3.28Å; V660-V664 PolarHBondContact O-N 3.05Å; Y661-V664 PolarHBondContact O-N 3.07Å; H662-V664 VanDerWaalsContact C-N 3.34Å; H662-V664 PolarHBondContact O-N 3.21Å; V664-Q666 PolarHBondContact O-N 3.2Å; V664-L667 PolarHBondContact O-N 3.06Å; V664-V668 HydrophobicContact CG1-CG2 4.32Å; V664-V668 WeakPolarHBondContact O-CB 3.41Å; V664-V668 WeakPolarHBondContact O-CG2 3.38Å; V664-V668 PolarHBondContact O-N 2.8Å
665	S	68.7	Low	70.4	Confident	32 Å²	32	73.6 Å²	73.6	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-59.6	-46.3	175.8	-169.8	0	0	0	0	112.3	Y661 H662 K663 L667 V668 D669	Y661-S665 PolarHBondContact O-N 2.83Å; H662-S665 WeakPolarHBondContact O-CB 3.48Å; H662-S665 PolarHBondContact O-N 3.27Å; K663-S665 VanDerWaalsContact C-N 3.33Å; S665-L667 PolarHBondContact O-N 3.49Å; S665-V668 PolarHBondContact O-N 2.8Å; S665-D669 VanDerWaalsContact O-CG 3.3Å; S665-D669 PolarHBondContact O-N 2.98Å
666	Q	69.1	Low	71.5	Confident	103 Å²	103	74.1 Å²	74.1	48%	0.481	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-43.1	177.2	-72.3	-178.9	-34.1	0	0	112.2	H662 K663 V664 V668 D669 E670	H662-Q666 VanDerWaalsContact NE2-CD 3.34Å; H662-Q666 PolarHBondContact NE2-NE2 2.91Å; H662-Q666 WeakPolarHBondContact O-CG 3.5Å; H662-Q666 PolarHBondContact O-N 3.29Å; K663-Q666 PolarHBondContact O-N 3.49Å; V664-Q666 PolarHBondContact O-N 3.2Å; Q666-V668 VanDerWaalsContact C-N 3.34Å; Q666-D669 PolarHBondContact O-N 3.25Å; Q666-E670 WeakPolarHBondContact O-CB 3.38Å; Q666-E670 PolarHBondContact O-N 3.01Å
667	L	71.4	Confident	72.3	Confident	96 Å²	96	79 Å²	79	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.5	-78	167.5	0	0	0	111.6	K663 V664 S665 E670 I671	K663-L667 WeakPolarHBondContact O-CB 3.23Å; K663-L667 WeakPolarHBondContact O-CG 3.45Å; K663-L667 PolarHBondContact O-N 3.5Å; V664-L667 PolarHBondContact O-N 3.06Å; S665-L667 PolarHBondContact O-N 3.49Å; L667-E670 PolarHBondContact O-N 3.07Å; L667-I671 WeakPolarHBondContact O-CB 3.21Å; L667-I671 WeakPolarHBondContact O-CD1 3.35Å; L667-I671 WeakPolarHBondContact O-CG1 3.4Å; L667-I671 PolarHBondContact O-N 3.11Å
668	V	75.3	Confident	73.2	Confident	64 Å²	64	83.2 Å²	83.2	39%	0.388	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.9	172.6	0	0	0	0	110.4	V664 S665 Q666 E670 I671 E672	V664-V668 HydrophobicContact CG1-CG2 4.32Å; V664-V668 WeakPolarHBondContact O-CB 3.41Å; V664-V668 WeakPolarHBondContact O-CG2 3.38Å; V664-V668 PolarHBondContact O-N 2.8Å; S665-V668 PolarHBondContact O-N 2.8Å; Q666-V668 VanDerWaalsContact C-N 3.34Å; V668-E670 VanDerWaalsContact C-N 3.32Å; V668-E670 PolarHBondContact O-N 3.24Å; V668-I671 PolarHBondContact O-N 3.32Å; V668-E672 WeakPolarHBondContact O-CB 3.15Å; V668-E672 PolarHBondContact O-N 3.12Å
669	D	70.6	Confident	74	Confident	49 Å²	49	90.7 Å²	90.7	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-60.6	-41.3	176.3	-69.6	-16.8	0	0	0	112	S665 Q666 T673 Y705	S665-D669 VanDerWaalsContact O-CG 3.3Å; S665-D669 PolarHBondContact O-N 2.98Å; Q666-D669 PolarHBondContact O-N 3.25Å; D669-T673 VanDerWaalsContact O-CB 3.31Å; D669-T673 WeakPolarHBondContact O-CB 3.27Å; D669-T673 PolarHBondContact O-N 2.91Å; D669-T673 PolarHBondContact O-OG1 3.18Å; D669-Y705 WeakPolarHBondContact OD1-CE2 3.39Å; D669-Y705 VanDerWaalsContact OD1-CZ 3.31Å; D669-Y705 PolarHBondContact OD1-OH 3.39Å
670	E	76.8	Confident	74.8	Confident	116 Å²	116	96.1 Å²	96.1	54%	0.542	47%	0.47	S	S	.	.	H	α-helix	trans	-66.9	-46	177.5	-173.2	174.2	-170.2	0	0	111.4	Q666 L667 V668 E672 T673 L674	Q666-E670 WeakPolarHBondContact O-CB 3.38Å; Q666-E670 PolarHBondContact O-N 3.01Å; L667-E670 PolarHBondContact O-N 3.07Å; V668-E670 VanDerWaalsContact C-N 3.32Å; V668-E670 PolarHBondContact O-N 3.24Å; E670-E672 VanDerWaalsContact C-N 3.33Å; E670-E672 PolarHBondContact O-N 3.25Å; E670-T673 PolarHBondContact O-N 3.13Å; E670-L674 HydrophobicContact CG-CD1 4.03Å; E670-L674 HydrophobicContact CG-CG 4.4Å; E670-L674 WeakPolarHBondContact O-CB 3.38Å; E670-L674 VanDerWaalsContact O-CG 3.28Å; E670-L674 WeakPolarHBondContact O-CG 3.42Å; E670-L674 PolarHBondContact O-N 2.77Å
671	I	78.6	Confident	75.2	Confident	90 Å²	90	100.5 Å²	100.5	46%	0.462	48%	0.479	S	S	.	.	H	α-helix	trans	-58.4	-46.2	175.5	-71.7	165.5	0	0	0	110.1	L667 V668 L674 Q675	L667-I671 WeakPolarHBondContact O-CB 3.21Å; L667-I671 WeakPolarHBondContact O-CD1 3.35Å; L667-I671 WeakPolarHBondContact O-CG1 3.4Å; L667-I671 PolarHBondContact O-N 3.11Å; V668-I671 PolarHBondContact O-N 3.32Å; I671-L674 PolarHBondContact O-N 2.9Å; I671-Q675 HydrophobicContact CG2-CG 4.31Å; I671-Q675 WeakPolarHBondContact O-CB 3.47Å; I671-Q675 VanDerWaalsContact O-CG 3.24Å; I671-Q675 WeakPolarHBondContact O-CG 3.41Å; I671-Q675 PolarHBondContact O-N 2.7Å
672	E	78.8	Confident	75	Confident	81 Å²	81	104 Å²	104	38%	0.379	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-43.3	178.5	-170.4	-179.7	-173.7	0	0	111.2	V668 E670 L674 Q675 N676	V668-E672 WeakPolarHBondContact O-CB 3.15Å; V668-E672 PolarHBondContact O-N 3.12Å; E670-E672 VanDerWaalsContact C-N 3.33Å; E670-E672 PolarHBondContact O-N 3.25Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 2.94Å; E672-Q675 PolarHBondContact O-N 2.85Å; E672-N676 WeakPolarHBondContact O-CB 3.33Å; E672-N676 PolarHBondContact O-N 3.42Å; E672-N676 PolarHBondContact O-ND2 2.84Å
673	T	82.9	Confident	74.5	Confident	71 Å²	71	103.2 Å²	103.2	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.3	-59.9	0	0	0	0	111.3	D669 E670 N676 K677	D669-T673 VanDerWaalsContact O-CB 3.31Å; D669-T673 WeakPolarHBondContact O-CB 3.27Å; D669-T673 PolarHBondContact O-N 2.91Å; D669-T673 PolarHBondContact O-OG1 3.18Å; E670-T673 PolarHBondContact O-N 3.13Å; T673-N676 PolarHBondContact O-N 3.05Å; T673-K677 HydrophobicContact CG2-CD 4.5Å; T673-K677 WeakPolarHBondContact O-CG 3.26Å; T673-K677 PolarHBondContact O-N 2.76Å
674	L	80.7	Confident	73.9	Confident	95 Å²	95	102.6 Å²	102.6	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-42.1	177.4	-72	172.8	0	0	0	111.7	E670 I671 E672 N676 K677 L678	E670-L674 HydrophobicContact CG-CD1 4.03Å; E670-L674 HydrophobicContact CG-CG 4.4Å; E670-L674 WeakPolarHBondContact O-CB 3.38Å; E670-L674 VanDerWaalsContact O-CG 3.28Å; E670-L674 WeakPolarHBondContact O-CG 3.42Å; E670-L674 PolarHBondContact O-N 2.77Å; I671-L674 PolarHBondContact O-N 2.9Å; E672-L674 VanDerWaalsContact C-N 3.34Å; E672-L674 PolarHBondContact O-N 2.94Å; L674-N676 VanDerWaalsContact C-N 3.3Å; L674-N676 PolarHBondContact O-N 3.29Å; L674-K677 PolarHBondContact O-N 2.81Å; L674-L678 WeakPolarHBondContact O-CB 3.33Å; L674-L678 PolarHBondContact O-N 3.04Å
675	Q	82.7	Confident	72.8	Confident	98 Å²	98	102.5 Å²	102.5	46%	0.458	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-39.5	174.1	-75.6	176.8	-0.6	0	0	111.7	I671 E672 L678 R679	I671-Q675 HydrophobicContact CG2-CG 4.31Å; I671-Q675 WeakPolarHBondContact O-CB 3.47Å; I671-Q675 VanDerWaalsContact O-CG 3.24Å; I671-Q675 WeakPolarHBondContact O-CG 3.41Å; I671-Q675 PolarHBondContact O-N 2.7Å; E672-Q675 PolarHBondContact O-N 2.85Å; Q675-L678 PolarHBondContact O-N 3.34Å; Q675-R679 WeakPolarHBondContact O-CB 2.98Å; Q675-R679 WeakPolarHBondContact O-CG 3.26Å; Q675-R679 PolarHBondContact O-N 3.29Å
676	N	80.6	Confident	71.8	Confident	59 Å²	59	106 Å²	106	32%	0.316	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-42	176.4	-70.4	-18.6	0	0	0	111.6	E672 T673 L674 L678 R679 Q680	E672-N676 WeakPolarHBondContact O-CB 3.33Å; E672-N676 PolarHBondContact O-N 3.42Å; E672-N676 PolarHBondContact O-ND2 2.84Å; T673-N676 PolarHBondContact O-N 3.05Å; L674-N676 VanDerWaalsContact C-N 3.3Å; L674-N676 PolarHBondContact O-N 3.29Å; N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact O-N 3.44Å; N676-R679 PolarHBondContact O-N 3.46Å; N676-R679 PolarHBondContact OD1-NH2 3.01Å; N676-Q680 WeakPolarHBondContact O-CB 3.45Å; N676-Q680 VanDerWaalsContact O-CG 3.3Å; N676-Q680 WeakPolarHBondContact O-CG 3.4Å; N676-Q680 PolarHBondContact O-N 3.36Å
677	K	81.9	Confident	70.8	Confident	132 Å²	132	109.7 Å²	109.7	57%	0.574	56%	0.556	S	S	*	*	H	α-helix	trans	-61	-41.6	171.7	-74.7	176.6	-179.7	176.7	0	111.8	T673 L674 Q680 Y681	T673-K677 HydrophobicContact CG2-CD 4.5Å; T673-K677 WeakPolarHBondContact O-CG 3.26Å; T673-K677 PolarHBondContact O-N 2.76Å; L674-K677 PolarHBondContact O-N 2.81Å; K677-Q680 CarbonylContact O-C 3.59Å; K677-Q680 PolarHBondContact O-N 3.43Å; K677-Y681 WeakPolarHBondContact O-CB 3.34Å; K677-Y681 PolarHBondContact O-N 3.49Å
678	L	80.5	Confident	69.2	Low	135 Å²	135	109.7 Å²	109.7	71%	0.707	56%	0.563	S	S	*	*	H	α-helix	trans	-64.4	-42.3	177	-161.7	88.2	0	0	0	111.6	L674 Q675 N676 Q680 Y681	L674-L678 WeakPolarHBondContact O-CB 3.33Å; L674-L678 PolarHBondContact O-N 3.04Å; Q675-L678 PolarHBondContact O-N 3.34Å; N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact O-N 3.44Å; L678-Q680 VanDerWaalsContact C-N 3.27Å; L678-Q680 PolarHBondContact O-N 3.02Å; L678-Y681 WeakPolarHBondContact O-CB 3.16Å; L678-Y681 PolarHBondContact O-N 3.14Å; L678-Y681 VanDerWaalsContact O-N 3.16Å
679	R	82.1	Confident	67.8	Low	172 Å²	172	113.1 Å²	113.1	65%	0.649	59%	0.585	S	S	*	*	H	α-helix	trans	-63.9	-31.8	174.9	-77.4	-172.1	-87.7	-134.4	0.2	112.8	Q675 N676	Q675-R679 WeakPolarHBondContact O-CB 2.98Å; Q675-R679 WeakPolarHBondContact O-CG 3.26Å; Q675-R679 PolarHBondContact O-N 3.29Å; N676-R679 PolarHBondContact O-N 3.46Å; N676-R679 PolarHBondContact OD1-NH2 3.01Å
680	Q	77.9	Confident	66.3	Low	156 Å²	156	116.9 Å²	116.9	73%	0.729	61%	0.612	S	S	*	*	H	α-helix	trans	-83	-17.6	175.5	-69.5	175.3	7.8	0	0	113.1	N676 K677 L678 K682	N676-Q680 WeakPolarHBondContact O-CB 3.45Å; N676-Q680 VanDerWaalsContact O-CG 3.3Å; N676-Q680 WeakPolarHBondContact O-CG 3.4Å; N676-Q680 PolarHBondContact O-N 3.36Å; K677-Q680 CarbonylContact O-C 3.59Å; K677-Q680 PolarHBondContact O-N 3.43Å; L678-Q680 VanDerWaalsContact C-N 3.27Å; L678-Q680 PolarHBondContact O-N 3.02Å; Q680-K682 PolarHBondContact O-N 3.46Å
681	Y	73.9	Confident	64.4	Low	172 Å²	172	114.3 Å²	114.3	68%	0.675	62%	0.616	S	S	*	*			trans	-73.8	88.8	177.7	-168	-97.4	0	0	0	110.1	K677 L678 G683	K677-Y681 WeakPolarHBondContact O-CB 3.34Å; K677-Y681 PolarHBondContact O-N 3.49Å; L678-Y681 WeakPolarHBondContact O-CB 3.16Å; L678-Y681 PolarHBondContact O-N 3.14Å; L678-Y681 VanDerWaalsContact O-N 3.16Å; Y681-G683 PolarHBondContact O-N 3.4Å
682	K	61.2	Low	62.4	Low	192 Å²	192	116.3 Å²	116.3	84%	0.835	64%	0.635	S	S	*	*			trans	-75.9	108.9	160.6	-66.4	-172	178.3	-174.7	0	106.7	Q680	Q680-K682 PolarHBondContact O-N 3.46Å
683	G	55	Low	60.5	Low	38 Å²	38	123.8 Å²	123.8	39%	0.392	66%	0.66	S	S	.	*			trans	-55.6	172.3	174.5	0	0	0	0	0	112.3	Y681 S685	Y681-G683 PolarHBondContact O-N 3.4Å; G683-S685 VanDerWaalsContact C-N 3.33Å; G683-S685 PolarHBondContact O-N 3.44Å
684	P	52.5	Low	58.3	Low	126 Å²	126	126.7 Å²	126.7	82%	0.818	68%	0.68	S	S	*	*			trans	-69.9	91.1	178	29.2	-31.7	0	0	0	109.5
685	S	46.9	Very low	56.3	Low	75 Å²	75	126.1 Å²	126.1	52%	0.524	70%	0.697	S	S	.	*			trans	-89.9	119.3	170.4	175.2	0	0	0	0	109	G683 H687	G683-S685 VanDerWaalsContact C-N 3.33Å; G683-S685 PolarHBondContact O-N 3.44Å; S685-H687 PolarHBondContact O-N 2.87Å
686	P	48.4	Very low	54	Low	106 Å²	106	124.4 Å²	124.4	69%	0.688	71%	0.706	S	S	*	*	S	Bend	trans	-70.6	120	166	29.3	-26.8	0	0	0	107
687	H	49.2	Very low	51.8	Low	181 Å²	181	127.5 Å²	127.5	84%	0.838	73%	0.729	S	S	*	*			trans	81.6	85.8	-178	-44.9	-69	0	0	0	116	S685	S685-H687 PolarHBondContact O-N 2.87Å
688	S	37.8	Very low	49.7	Very low	95 Å²	95	127 Å²	127	66%	0.664	74%	0.739	S	S	*	*			trans	-157.5	120.3	145.1	60.5	0	0	0	0	110.9
689	T	44.2	Very low	47.6	Very low	136 Å²	136	124.3 Å²	124.3	83%	0.834	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57.8	148.4	177.3	-34.4	0	0	0	0	112.1	G691	T689-G691 PolarHBondContact O-N 2.94Å
690	P	39.4	Very low	45.3	Very low	129 Å²	129	124.2 Å²	124.2	84%	0.838	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-77.1	117.2	-175.8	-4.9	22	0	0	0	111.5
691	G	36.9	Very low	43.4	Very low	61 Å²	61	123.5 Å²	123.5	63%	0.629	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-87.8	161.9	164.6	0	0	0	0	0	112.3	T689	T689-G691 PolarHBondContact O-N 2.94Å
692	P	37.1	Very low	41.5	Very low	133 Å²	133	124.6 Å²	124.6	86%	0.864	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.1	139.6	-165.2	-12.3	26.5	0	0	0	112.7
693	R	38.4	Very low	40.5	Very low	238 Å²	238	123.1 Å²	123.1	90%	0.898	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-64.4	132.6	172.8	-68.9	175.3	175.1	178.6	-2.4	110.5	G695	R693-G695 PolarHBondContact O-N 3.42Å
694	P	37.5	Very low	39.6	Very low	132 Å²	132	128.3 Å²	128.3	86%	0.857	75%	0.749	S	S	*	*			trans	-72.9	114.4	154	-0.5	17.7	0	0	0	107.5
695	G	37.7	Very low	38.9	Very low	83 Å²	83	127.1 Å²	127.1	86%	0.856	73%	0.729	S	S	*	*			trans	-75.8	128.3	175.2	0	0	0	0	0	111.4	R693	R693-G695 PolarHBondContact O-N 3.42Å
696	G	34.5	Very low	38.2	Very low	62 Å²	62	131.1 Å²	131.1	64%	0.639	74%	0.737	S	S	*	*			trans	168.5	128.5	166.1	0	0	0	0	0	110
697	P	35.4	Very low	37.4	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-64.6	144.3	171.9	28.8	-31	0	0	0	108.8	S699	P697-S699 PolarHBondContact O-N 2.68Å
698	P	36.8	Very low	36.6	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59.8	125.7	168.6	26	-29.7	0	0	0	107.3	D700	P698-D700 PolarHBondContact O-N 3.37Å; P698-D700 VanDerWaalsContact O-N 3.1Å
699	S	37.1	Very low	36.4	Very low	78 Å²	78	132.2 Å²	132.2	55%	0.545	75%	0.748	S	S	.	*	P	Polyproline II helix	trans	-59.3	118.3	173.5	63.5	0	0	0	0	108	P697 Q701	P697-S699 PolarHBondContact O-N 2.68Å; S699-Q701 PolarHBondContact O-N 3.32Å
700	D	34.6	Very low	36.1	Very low	170 Å²	170	128.8 Å²	128.8	91%	0.909	73%	0.73	S	S	*	*			trans	-73.5	38.5	175.1	-138.7	9.3	0	0	0	111	P698 R702	P698-D700 PolarHBondContact O-N 3.37Å; P698-D700 VanDerWaalsContact O-N 3.1Å; D700-R702 PolarHBondContact O-N 2.83Å
701	Q	37.5	Very low	36.1	Very low	142 Å²	142	128.7 Å²	128.7	66%	0.664	73%	0.729	S	S	*	*			trans	-88.4	101.2	171.9	-82.5	-176.6	-13.9	0	0	107.5	S699 R703	S699-Q701 PolarHBondContact O-N 3.32Å; Q701-R703 VanDerWaalsContact C-N 3.26Å; Q701-R703 PolarHBondContact O-N 3.07Å
702	R	34.5	Very low	36.3	Very low	194 Å²	194	132.6 Å²	132.6	73%	0.732	74%	0.736	S	S	*	*			trans	-51.5	99.4	150.6	-67.8	176.4	176	178.5	-5.6	106.6	D700 M704 G749	D700-R702 PolarHBondContact O-N 2.83Å; R702-M704 PolarHBondContact O-N 3.24Å; R702-G749 PolarHBondContact NH1-O 3.3Å; R702-G749 VanDerWaalsContact NH1-O 3.17Å
703	R	39.1	Very low	36.4	Very low	161 Å²	161	131.8 Å²	131.8	61%	0.608	72%	0.724	S	S	*	*			trans	-75.5	116.5	179.5	-75.8	-178.5	-177.5	168.7	2.7	107.1	Q701 Y705	Q701-R703 VanDerWaalsContact C-N 3.26Å; Q701-R703 PolarHBondContact O-N 3.07Å; R703-Y705 PolarHBondContact O-N 3.35Å
704	M	35.6	Very low	36.6	Very low	147 Å²	147	125.3 Å²	125.3	72%	0.724	71%	0.713	S	S	*	*			trans	-64.8	127.1	155	-68.3	-127.5	-89.7	0	0	106.8	R702 F706	R702-M704 PolarHBondContact O-N 3.24Å; M704-F706 HydrophobicContact CB-CD2 3.87Å; M704-F706 HydrophobicContact CB-CE2 4.16Å; M704-F706 PolarHBondContact O-N 3.12Å; M704-F706 HydrophobicContact SD-CE2 4.39Å
705	Y	38.3	Very low	36.5	Very low	102 Å²	102	125.3 Å²	125.3	40%	0.4	71%	0.713	S	S	.	*	S	Bend	trans	-69.6	73.4	179	-67	-89.8	0	0	0	110.8	D669 R703	D669-Y705 WeakPolarHBondContact OD1-CE2 3.39Å; D669-Y705 VanDerWaalsContact OD1-CZ 3.31Å; D669-Y705 PolarHBondContact OD1-OH 3.39Å; R703-Y705 PolarHBondContact O-N 3.35Å
706	F	32.9	Very low	36.3	Very low	159 Å²	159	127.1 Å²	127.1	70%	0.697	71%	0.708	S	S	*	*			trans	-129.7	87	165.8	-61.1	-70.4	0	0	0	107.5	M704	M704-F706 HydrophobicContact CB-CD2 3.87Å; M704-F706 HydrophobicContact CB-CE2 4.16Å; M704-F706 PolarHBondContact O-N 3.12Å; M704-F706 HydrophobicContact SD-CE2 4.39Å
707	K	31.2	Very low	36.2	Very low	198 Å²	198	129.6 Å²	129.6	86%	0.861	72%	0.715	S	S	*	*			trans	-99.6	107	166.9	-135.3	-176.2	-177.9	-168.4	0	106.8	S709	K707-S709 PolarHBondContact O-N 2.75Å
708	A	31.8	Very low	36.1	Very low	101 Å²	101	129.4 Å²	129.4	84%	0.835	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.5	119.6	166.2	0	0	0	0	0	107.8
709	S	33.8	Very low	35.6	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.4	168.1	-46.8	0	0	0	0	108.7	K707	K707-S709 PolarHBondContact O-N 2.75Å
710	S	37.2	Very low	35.2	Very low	65 Å²	65	134.3 Å²	134.3	46%	0.455	73%	0.732	S	S	.	*	P	Polyproline II helix	trans	-69.5	147	166.7	-173.4	0	0	0	0	108.9	D712 D713	S710-D712 PolarHBondContact O-N 3.03Å; S710-D713 PolarHBondContact O-N 3.47Å
711	P	41.2	Very low	34.7	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-13.8	176.6	-21.9	32.3	0	0	0	115
712	D	40.2	Very low	34.1	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	4.6	-171.5	-62	-40.7	0	0	0	114.9	S710	S710-D712 PolarHBondContact O-N 3.03Å
713	D	39.4	Very low	33.6	Very low	117 Å²	117	129.8 Å²	129.8	63%	0.626	73%	0.734	S	S	*	*			trans	-76.4	128.7	176	-79.5	-30.1	0	0	0	111.1	S710	S710-D713 PolarHBondContact O-N 3.47Å
714	P	42.1	Very low	33.1	Very low	101 Å²	101	126.4 Å²	126.4	66%	0.656	74%	0.735	S	S	*	*			trans	-67.7	148.5	179.4	26.6	-33	0	0	0	111.8	T716	P714-T716 PolarHBondContact O-N 2.95Å
715	P	36.5	Very low	32.7	Very low	132 Å²	132	127.8 Å²	127.8	86%	0.857	74%	0.738	S	S	*	*			trans	-66.6	108.1	-175.7	26.8	-32.8	0	0	0	110.1
716	T	33.1	Very low	32.1	Very low	122 Å²	122	127.6 Å²	127.6	75%	0.748	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-79.9	127.7	169	-45.1	0	0	0	0	107.9	P714 P718	P714-T716 PolarHBondContact O-N 2.95Å; T716-P718 WeakPolarHBondContact O-CD 3.33Å
717	S	33	Very low	31.8	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.4	117.4	175.6	53.6	0	0	0	0	111.1
718	P	31.9	Very low	31.4	Very low	120 Å²	120	126 Å²	126	78%	0.779	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-98.6	129.5	175.9	8.1	13.3	0	0	0	110.8	T716	T716-P718 WeakPolarHBondContact O-CD 3.33Å
719	N	26.5	Very low	31.1	Very low	165 Å²	165	125.7 Å²	125.7	88%	0.882	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.3	139.4	164.6	-78.3	-49.2	0	0	0	110.7	L721	N719-L721 PolarHBondContact O-N 3.28Å
720	V	27.8	Very low	30.8	Very low	138 Å²	138	126.4 Å²	126.4	84%	0.836	74%	0.737	S	S	*	*	S	Bend	trans	-53.7	113.7	-178.6	178.5	0	0	0	0	111.7
721	L	24.5	Very low	30.4	Very low	175 Å²	175	125.7 Å²	125.7	92%	0.916	74%	0.74	S	S	*	*			trans	-157.9	86.9	140.1	-95.5	171.6	0	0	0	106.6	N719	N719-L721 PolarHBondContact O-N 3.28Å
722	N	24.5	Very low	29.8	Very low	128 Å²	128	126.3 Å²	126.3	68%	0.684	74%	0.737	S	S	*	*			trans	-95.9	118.8	177.3	179.2	15	0	0	0	110.1	S724	N722-S724 PolarHBondContact ND2-OG 2.97Å; N722-S724 WeakPolarHBondContact OD1-CA 3.48Å; N722-S724 PolarHBondContact OD1-N 2.8Å; N722-S724 PolarHBondContact OD1-OG 2.66Å
723	S	25.8	Very low	29.5	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	73%	0.729	S	S	*	*			trans	-129	115.5	131.6	79.5	0	0	0	0	108
724	S	27	Very low	29.3	Very low	90 Å²	90	124.8 Å²	124.8	63%	0.629	74%	0.735	S	S	*	*			trans	-72.2	127.4	-164.9	-45.9	0	0	0	0	111.9	N722	N722-S724 PolarHBondContact ND2-OG 2.97Å; N722-S724 WeakPolarHBondContact OD1-CA 3.48Å; N722-S724 PolarHBondContact OD1-N 2.8Å; N722-S724 PolarHBondContact OD1-OG 2.66Å
725	F	27	Very low	29	Very low	176 Å²	176	128.6 Å²	128.6	77%	0.772	74%	0.736	S	S	*	*			trans	-81.3	135.4	155.7	-83.5	-94.3	0	0	0	109.1
726	P	27.6	Very low	29	Very low	98 Å²	98	135 Å²	135	64%	0.636	74%	0.743	S	S	*	*			trans	-128.1	145.7	135.1	32.8	-20.7	0	0	0	110.6
727	F	24.6	Very low	29.1	Very low	198 Å²	198	132 Å²	132	87%	0.868	74%	0.736	S	S	*	*			trans	114.9	103.6	168.8	-62.1	-67.9	0	0	0	115.7
728	N	24.1	Very low	29.3	Very low	125 Å²	125	129.1 Å²	129.1	67%	0.668	71%	0.714	S	S	*	*			trans	-73.1	128.4	164.5	-166.9	14.7	0	0	0	109.2	V730	N728-V730 PolarHBondContact O-N 2.98Å
729	P	25.3	Very low	29.5	Very low	96 Å²	96	126.4 Å²	126.4	62%	0.623	70%	0.696	S	S	*	*			trans	-85.1	94.5	159.2	28.9	-21	0	0	0	108.3	G731	P729-G731 PolarHBondContact O-N 3.19Å
730	V	27.3	Very low	30.3	Very low	120 Å²	120	120.1 Å²	120.1	73%	0.727	67%	0.67	S	S	*	*			trans	-69.2	109.9	152.9	-179.8	0	0	0	0	106.5	N728	N728-V730 PolarHBondContact O-N 2.98Å
731	G	28.3	Very low	30.9	Very low	49 Å²	49	116.1 Å²	116.1	51%	0.505	65%	0.646	S	S	.	*	S	Bend	trans	145.6	151.6	170.6	0	0	0	0	0	114.3	P729 L733	P729-G731 PolarHBondContact O-N 3.19Å; G731-L733 PolarHBondContact O-N 3.22Å
732	N	29.3	Very low	31.8	Very low	140 Å²	140	109.6 Å²	109.6	75%	0.749	62%	0.615	S	S	*	*			trans	-45.3	125.9	170.8	-102.6	-22.2	0	0	0	110.6	C734	N732-C734 PolarHBondContact O-N 3.15Å
733	L	33.7	Very low	32.7	Very low	117 Å²	117	105.1 Å²	105.1	61%	0.613	59%	0.591	S	S	*	*	S	Bend	trans	-64.8	-1.5	175.3	-71.5	166.7	0	0	0	113	G731 R735	G731-L733 PolarHBondContact O-N 3.22Å; L733-R735 PolarHBondContact O-N 2.83Å
734	C	35.6	Very low	33.2	Very low	110 Å²	110	103.2 Å²	103.2	74%	0.743	58%	0.577	S	S	*	*			trans	-77.6	52.7	168.7	-48	0	0	0	0	112	N732	N732-C734 PolarHBondContact O-N 3.15Å
735	R	34.8	Very low	33.9	Very low	181 Å²	181	104.1 Å²	104.1	68%	0.683	57%	0.57	S	S	*	*			trans	-93.2	132.6	169.1	-76.2	-163.9	-172.9	-157.6	4.8	109.8	L733 G737 V738	L733-R735 PolarHBondContact O-N 2.83Å; R735-G737 PolarHBondContact O-N 3Å; R735-V738 PolarHBondContact O-N 3.49Å
736	R	36.5	Very low	34.5	Very low	267 Å²	267	101.2 Å²	101.2	100%	1.008	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	7.8	168.1	-93.1	-172.1	-174.2	-166.7	1.2	116.3
737	G	35.5	Very low	34.9	Very low	58 Å²	58	100.7 Å²	100.7	60%	0.598	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	12.8	-172.2	0	0	0	0	0	114.6	R735 P739	R735-G737 PolarHBondContact O-N 3Å; G737-P739 VanDerWaalsContact O-CD 3.26Å; G737-P739 WeakPolarHBondContact O-CD 3.38Å
738	V	38.3	Very low	35.5	Very low	54 Å²	54	97 Å²	97	33%	0.327	54%	0.538	S	S	.	.			trans	-99.9	101.4	169.8	-177.5	0	0	0	0	107.8	R735 G740	R735-V738 PolarHBondContact O-N 3.49Å; V738-G740 PolarHBondContact O-N 2.99Å
739	P	35.7	Very low	36	Very low	62 Å²	62	93.5 Å²	93.5	40%	0.403	53%	0.531	S	S	.	.			trans	-71.4	125.2	178.5	25.5	-30.6	0	0	0	111.1	G737	G737-P739 VanDerWaalsContact O-CD 3.26Å; G737-P739 WeakPolarHBondContact O-CD 3.38Å
740	G	43.7	Very low	36.2	Very low	33 Å²	33	92 Å²	92	34%	0.34	53%	0.527	S	S	.	.	S	Bend	trans	126	-178.4	171.6	0	0	0	0	0	114.6	V738	V738-G740 PolarHBondContact O-N 2.99Å
741	T	39.9	Very low	36.4	Very low	54 Å²	54	94.2 Å²	94.2	33%	0.331	53%	0.526	S	S	.	.	S	Bend	trans	-46.4	128.6	-174.9	22.6	0	0	0	0	113.1	F343 V647 A650 I743	F343-T741 HydrophobicContact CE1-CG2 4.37Å; V647-T741 HydrophobicContact CG1-CG2 3.94Å; A650-T741 WeakPolarHBondContact CB-O 3.05Å; T741-I743 PolarHBondContact O-N 3.42Å
742	P	43.5	Very low	36.5	Very low	39 Å²	39	97.8 Å²	97.8	25%	0.253	54%	0.538	S	S	.	.			trans	-61.5	114.3	-178.7	-21.7	32	0	0	0	111.4	F343 E347 S744	F343-P742 HydrophobicContact CD1-CG 4.32Å; E347-P742 WeakPolarHBondContact OE2-CB 3.36Å; E347-P742 WeakPolarHBondContact OE2-CG 3.5Å; P742-S744 PolarHBondContact O-N 3.31Å; P742-S744 VanDerWaalsContact O-N 3.14Å
743	I	42.7	Very low	36.3	Very low	34 Å²	34	100.2 Å²	100.2	17%	0.174	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-9.9	-175.4	-81.6	169.8	0	0	0	113.2	A650 A658 T741 K745 F746 L747	A650-I743 HydrophobicContact CB-CD1 3.89Å; A650-I743 HydrophobicContact CB-CG1 3.99Å; A658-I743 HydrophobicContact CB-CD1 3.65Å; A658-I743 HydrophobicContact CB-CG1 4.27Å; T741-I743 PolarHBondContact O-N 3.42Å; I743-K745 PolarHBondContact O-N 2.8Å; I743-F746 PolarHBondContact O-N 3Å; I743-L747 HydrophobicContact CG2-CD1 3.2Å; I743-L747 HydrophobicContact CG2-CG 3.64Å; I743-L747 PolarHBondContact O-N 3.36Å
744	S	38	Very low	36	Very low	66 Å²	66	102.8 Å²	102.8	46%	0.462	55%	0.551	S	S	.	*	H	α-helix	trans	-64.3	-41.5	-165.5	80.7	0	0	0	0	113.9	E347 P742 N748	E347-S744 PolarHBondContact OE1-OG 3.28Å; P742-S744 PolarHBondContact O-N 3.31Å; P742-S744 VanDerWaalsContact O-N 3.14Å; S744-N748 PolarHBondContact O-ND2 3.04Å
745	K	39.9	Very low	35.5	Very low	110 Å²	110	102.3 Å²	102.3	48%	0.478	55%	0.549	S	S	.	.	H	α-helix	trans	-88.4	-20.4	176.5	-69.3	-176	-178.6	174.2	0	113.3	E347 I743	E347-K745 PolarHBondContact O-NZ 3.29Å; I743-K745 PolarHBondContact O-N 2.8Å
746	F	39.6	Very low	35.3	Very low	114 Å²	114	100.3 Å²	100.3	50%	0.5	56%	0.557	S	S	.	*	H	α-helix	trans	-79.5	-32.1	-174.9	-142.5	-86.6	0	0	0	112.8	K640 I743	K640-F746 VanDerWaalsContact NZ-CZ 3.27Å; I743-F746 PolarHBondContact O-N 3Å
747	L	36.4	Very low	34.8	Very low	87 Å²	87	95.5 Å²	95.5	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-84.9	-26.2	175.8	-70.4	179.2	0	0	0	113.5	I743 G749	I743-L747 HydrophobicContact CG2-CD1 3.2Å; I743-L747 HydrophobicContact CG2-CG 3.64Å; I743-L747 PolarHBondContact O-N 3.36Å; L747-G749 PolarHBondContact O-N 2.75Å
748	N	37.2	Very low	34.5	Very low	122 Å²	122	98.9 Å²	98.9	65%	0.652	56%	0.555	S	S	*	*			trans	-80	71.5	175.2	-77.8	-17.4	0	0	0	109.9	S744 A750	S744-N748 PolarHBondContact O-ND2 3.04Å; N748-A750 PolarHBondContact O-N 3.4Å
749	G	35.2	Very low	34	Very low	51 Å²	51	104.8 Å²	104.8	53%	0.526	58%	0.584	S	S	.	*			trans	-61.3	50.3	170.9	0	0	0	0	0	114	R702 L747 K751	R702-G749 PolarHBondContact NH1-O 3.3Å; R702-G749 VanDerWaalsContact NH1-O 3.17Å; L747-G749 PolarHBondContact O-N 2.75Å; G749-K751 PolarHBondContact O-N 2.96Å
750	A	28.2	Very low	33.6	Very low	64 Å²	64	105.2 Å²	105.2	53%	0.529	59%	0.592	S	S	.	*			trans	-75.8	115.6	167.3	0	0	0	0	0	107	N748 T752	N748-A750 PolarHBondContact O-N 3.4Å; A750-T752 HydrophobicContact CB-CG2 4.06Å; A750-T752 PolarHBondContact O-N 3.39Å
751	K	33.2	Very low	32.8	Very low	167 Å²	167	110.6 Å²	110.6	73%	0.726	61%	0.614	S	S	*	*			trans	-55.7	87.3	148.6	-67.7	175	175.9	179	0	106.4	G749 W753	G749-K751 PolarHBondContact O-N 2.96Å; K751-W753 VanDerWaalsContact O-CD1 3.3Å; K751-W753 PolarHBondContact O-N 3.16Å; K751-W753 VanDerWaalsContact O-N 3.08Å
752	T	28.9	Very low	32.2	Very low	123 Å²	123	115.6 Å²	115.6	76%	0.755	64%	0.638	S	S	*	*			trans	-77.5	97.7	170.7	37.1	0	0	0	0	107.1	A750 L754	A750-T752 HydrophobicContact CB-CG2 4.06Å; A750-T752 PolarHBondContact O-N 3.39Å; T752-L754 PolarHBondContact O-N 3.44Å
753	W	26.8	Very low	31.5	Very low	192 Å²	192	119.3 Å²	119.3	73%	0.727	66%	0.66	S	S	*	*			trans	-49.9	117.4	162	-67.6	83.6	0	0	0	109	L596 K751 S755	L596-W753 HydrophobicContact CD1-CE3 4.43Å; L596-W753 HydrophobicContact CD1-CH2 3.28Å; L596-W753 HydrophobicContact CD1-CZ2 3.66Å; L596-W753 HydrophobicContact CD1-CZ3 3.71Å; K751-W753 VanDerWaalsContact O-CD1 3.3Å; K751-W753 PolarHBondContact O-N 3.16Å; K751-W753 VanDerWaalsContact O-N 3.08Å; W753-S755 VanDerWaalsContact C-N 3.35Å; W753-S755 PolarHBondContact O-N 2.99Å
754	L	25.4	Very low	30.9	Very low	170 Å²	170	130.8 Å²	130.8	89%	0.89	71%	0.71	S	S	*	*			trans	-89	84.2	157.6	-81.5	156.2	0	0	0	106.3	T752 T756	T752-L754 PolarHBondContact O-N 3.44Å; L754-T756 PolarHBondContact O-N 3.16Å
755	S	25.7	Very low	30.5	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	72%	0.722	S	S	*	*			trans	-72.7	108.3	158.3	40	0	0	0	0	107.2	W753 E757	W753-S755 VanDerWaalsContact C-N 3.35Å; W753-S755 PolarHBondContact O-N 2.99Å; S755-E757 PolarHBondContact O-N 3.11Å; S755-E757 VanDerWaalsContact O-N 3.12Å
756	T	30.6	Very low	30	Very low	138 Å²	138	135.3 Å²	135.3	85%	0.847	74%	0.735	S	S	*	*			trans	-61.4	100.7	162.3	41.5	0	0	0	0	108.8	L754	L754-T756 PolarHBondContact O-N 3.16Å
757	E	26.8	Very low	29.5	Very low	166 Å²	166	136.5 Å²	136.5	78%	0.776	75%	0.748	S	S	*	*			trans	-148.7	115.5	157.7	-113.7	175.2	-174.9	0	0	109.8	S755	S755-E757 PolarHBondContact O-N 3.11Å; S755-E757 VanDerWaalsContact O-N 3.12Å
758	T	29.8	Very low	29.1	Very low	130 Å²	130	139.4 Å²	139.4	80%	0.798	77%	0.765	S	S	*	*			trans	-14.8	129.9	156.9	4.2	0	0	0	0	115.8
759	L	26.7	Very low	28.6	Very low	177 Å²	177	140.5 Å²	140.5	93%	0.927	77%	0.772	S	S	*	*			trans	-145	107	138.2	-101.8	163.1	0	0	0	109.2
760	A	27	Very low	28.2	Very low	71 Å²	71	146.5 Å²	146.5	59%	0.587	79%	0.789	S	S	*	*			trans	-66.2	153.5	160.1	0	0	0	0	0	109.9
761	N	27.9	Very low	28.1	Very low	147 Å²	147	152.4 Å²	152.4	79%	0.786	81%	0.807	S	S	*	*			trans	60.8	118.2	163.9	-62	-12.3	0	0	0	117.1
762	D	26.9	Very low	27.8	Very low	158 Å²	158	151.2 Å²	151.2	85%	0.845	81%	0.813	S	S	*	*				-161.3	133.7	100.7	-92.8	-23.8	0	0	0	111.7
763	T	28.7	Very low	27.7	Very low	118 Å²	118	153.6 Å²	153.6	72%	0.724	82%	0.818	S	S	*	*			trans	-53.6	133.4	167.4	34	0	0	0	0	113.1
764	F	29.6	Very low	27.7	Very low	275 Å²	275	150.1 Å²	150.1	100%	1.206	83%	0.826	S	S	*	*				-175.2	0	106.2	-101.1	-73.3	0	0	0	110.8

Retrieved 764 of 764 residues in 325.3 ms (Link to these results)

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