A0A087XSU7_POEFO Loading...

Thyroid peroxidase

AlphaFold DB , UniProt , Accession A0A087XSU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 784 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	31.8	Very low	30.3	Very low	239 Å²	239	127.2 Å²	127.2	100%	1.177	76%	0.76	S	S	*	*				0	102.2	0	-81.3	178.1	-175.8	0	0	108.2
2	L	23.2	Very low	32.3	Very low	176 Å²	176	124.1 Å²	124.1	92%	0.921	74%	0.743	S	S	*	*			trans	-139	99	162.9	-102.8	143.1	0	0	0	103.9	C4	L2-C4 PolarHBondContact O-N 3.28Å
3	V	23.6	Very low	34.2	Very low	128 Å²	128	118.8 Å²	118.8	78%	0.776	71%	0.708	S	S	*	*			trans	-71	115.7	-178.9	174.6	0	0	0	0	106.7	V5	V3-V5 PolarHBondContact O-N 2.75Å; V3-V5 VanDerWaalsContact O-N 3.14Å
4	C	22.6	Very low	36.1	Very low	117 Å²	117	114.6 Å²	114.6	79%	0.791	69%	0.687	S	S	*	*			trans	-64.2	110.5	165.2	-69.7	0	0	0	0	107.7	L2 V6	L2-C4 PolarHBondContact O-N 3.28Å; C4-V6 PolarHBondContact O-N 2.86Å; C4-V6 VanDerWaalsContact O-N 3.11Å
5	V	22.8	Very low	37.4	Very low	133 Å²	133	111.1 Å²	111.1	81%	0.806	67%	0.67	S	S	*	*			trans	-67.9	106.2	169.3	177.9	0	0	0	0	107	V3	V3-V5 PolarHBondContact O-N 2.75Å; V3-V5 VanDerWaalsContact O-N 3.14Å
6	V	25.7	Very low	38.3	Very low	116 Å²	116	108.4 Å²	108.4	70%	0.703	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.6	129.1	167.9	-176	0	0	0	0	106.9	C4	C4-V6 PolarHBondContact O-N 2.86Å; C4-V6 VanDerWaalsContact O-N 3.11Å
7	P	25.8	Very low	39.5	Very low	101 Å²	101	104.8 Å²	104.8	66%	0.656	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-60.7	143.1	172.5	17.3	-17.9	0	0	0	108.9	T9	P7-T9 PolarHBondContact O-N 2.94Å; P7-T9 VanDerWaalsContact O-N 3.14Å
8	P	29.8	Very low	40.5	Very low	119 Å²	119	99 Å²	99	77%	0.773	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58.8	125.4	-178.1	24.5	-31.6	0	0	0	109.1
9	T	35.1	Very low	41.3	Very low	120 Å²	120	100.5 Å²	100.5	74%	0.736	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-53.1	131	163.1	41.7	0	0	0	0	107.9	P7 S11	P7-T9 PolarHBondContact O-N 2.94Å; P7-T9 VanDerWaalsContact O-N 3.14Å; T9-S11 PolarHBondContact O-N 2.85Å; T9-S11 VanDerWaalsContact O-N 3.09Å
10	P	42.4	Very low	41.8	Very low	52 Å²	52	100.8 Å²	100.8	34%	0.338	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-60.5	121.1	176.9	24.7	-30.5	0	0	0	107.9	T12 F84	P10-T12 PolarHBondContact O-N 2.81Å; P10-F84 HydrophobicContact CG-CE1 4.49Å
11	S	50.8	Low	42.4	Very low	98 Å²	98	99 Å²	99	69%	0.685	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-65.6	123.2	166.1	53.3	0	0	0	0	107.2	T9 L13	T9-S11 PolarHBondContact O-N 2.85Å; T9-S11 VanDerWaalsContact O-N 3.09Å; S11-L13 PolarHBondContact O-N 3.45Å
12	T	53.8	Low	43.2	Very low	90 Å²	90	90.6 Å²	90.6	55%	0.552	54%	0.54	S	S	*	.			trans	-45.4	134.8	165.6	48.7	0	0	0	0	109.1	P10 S14	P10-T12 PolarHBondContact O-N 2.81Å; T12-S14 PolarHBondContact O-N 3.04Å
13	L	57.4	Low	44.2	Very low	56 Å²	56	88.3 Å²	88.3	29%	0.293	53%	0.533	S	S	.	.			trans	-55.1	132.6	176.1	-77	160.5	0	0	0	108.8	S11 L18 L72 L90 N94	S11-L13 PolarHBondContact O-N 3.45Å; L13-L18 HydrophobicContact CD1-CD1 4.26Å; L13-L72 HydrophobicContact CD1-CD2 4.32Å; L13-L90 HydrophobicContact CD1-CD2 4.02Å; L13-N94 PolarHBondContact O-ND2 3.41Å
14	S	61.1	Low	44.7	Very low	59 Å²	59	86 Å²	86	41%	0.413	52%	0.522	S	S	.	.			trans	-73.5	151.4	171	67.8	0	0	0	0	109.4	T12 S16 S17 L18	T12-S14 PolarHBondContact O-N 3.04Å; S14-S16 PolarHBondContact O-N 3.46Å; S14-S16 PolarHBondContact OG-OG 3.31Å; S14-S17 PolarHBondContact O-N 2.79Å; S14-S17 VanDerWaalsContact OG-CB 3.28Å; S14-S17 WeakPolarHBondContact OG-CB 3.42Å; S14-S17 PolarHBondContact OG-N 3.18Å; S14-S17 VanDerWaalsContact OG-N 3.15Å; S14-L18 PolarHBondContact O-N 3.42Å
15	S	55.2	Low	45.1	Very low	62 Å²	62	83.3 Å²	83.3	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-56.9	-35	177.3	56.1	0	0	0	0	112.7	R19 N94	S15-R19 WeakPolarHBondContact O-CG 3.41Å; S15-R19 PolarHBondContact O-N 2.64Å; S15-R19 VanDerWaalsContact O-N 3.12Å; S15-N94 WeakPolarHBondContact CA-OD1 3.44Å; S15-N94 PolarHBondContact N-OD1 3.39Å
16	S	51.4	Low	45.5	Very low	69 Å²	69	81.9 Å²	81.9	48%	0.483	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-47.3	171.6	54.4	0	0	0	0	112.7	S14 L18 R19 D20	S14-S16 PolarHBondContact O-N 3.46Å; S14-S16 PolarHBondContact OG-OG 3.31Å; S16-L18 VanDerWaalsContact C-N 3.29Å; S16-L18 PolarHBondContact O-N 3.01Å; S16-R19 PolarHBondContact O-N 3.43Å; S16-D20 VanDerWaalsContact O-CG 3.29Å; S16-D20 PolarHBondContact O-N 3.29Å
17	S	59.6	Low	45.7	Very low	47 Å²	47	84.5 Å²	84.5	33%	0.329	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-31.1	178.7	-178.8	0	0	0	0	112.4	S14 F21	S14-S17 PolarHBondContact O-N 2.79Å; S14-S17 VanDerWaalsContact OG-CB 3.28Å; S14-S17 WeakPolarHBondContact OG-CB 3.42Å; S14-S17 PolarHBondContact OG-N 3.18Å; S14-S17 VanDerWaalsContact OG-N 3.15Å; S17-F21 WeakPolarHBondContact O-CB 3.32Å; S17-F21 PolarHBondContact O-N 3.16Å
18	L	57.2	Low	45.8	Very low	0 Å²	0	87 Å²	87	0%	0	51%	0.511	C	S	.	.	H	α-helix	trans	-70.5	-44.6	176	-171.3	72.2	0	0	0	111	L13 S14 S16 F21 L22 L72 L90 N94 L97	L13-L18 HydrophobicContact CD1-CD1 4.26Å; S14-L18 PolarHBondContact O-N 3.42Å; S16-L18 VanDerWaalsContact C-N 3.29Å; S16-L18 PolarHBondContact O-N 3.01Å; L18-F21 PolarHBondContact O-N 2.88Å; L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.09Å; L18-L72 HydrophobicContact CD1-CD1 3.79Å; L18-L72 HydrophobicContact CD1-CD2 3.71Å; L18-L72 HydrophobicContact CD1-CG 4.44Å; L18-L90 HydrophobicContact CD1-CD2 4.23Å; L18-N94 HydrophobicContact CD2-CB 3.94Å; L18-L97 HydrophobicContact CD2-CD2 4.27Å
19	R	55.2	Low	45.6	Very low	127 Å²	127	85.5 Å²	85.5	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-59	-48.9	173.6	-72.4	-176.3	179.2	-137.9	-2.9	110.7	S15 S16 F21 L22 V23 L97	S15-R19 WeakPolarHBondContact O-CG 3.41Å; S15-R19 PolarHBondContact O-N 2.64Å; S15-R19 VanDerWaalsContact O-N 3.12Å; S16-R19 PolarHBondContact O-N 3.43Å; R19-F21 VanDerWaalsContact C-N 3.33Å; R19-F21 PolarHBondContact O-N 2.83Å; R19-L22 PolarHBondContact O-N 3.45Å; R19-V23 WeakPolarHBondContact O-CB 3.25Å; R19-V23 WeakPolarHBondContact O-CG2 3.29Å; R19-V23 PolarHBondContact O-N 3.37Å; R19-L97 HydrophobicContact CG-CD2 3.89Å; R19-L97 VanDerWaalsContact NH2-CD1 3.26Å
20	D	50.4	Low	45.2	Very low	107 Å²	107	87.5 Å²	87.5	57%	0.572	52%	0.515	S	S	*	.	H	α-helix	trans	-62.5	-39.9	179.4	-67.6	-20.8	0	0	0	111.5	S16 V23 S24	S16-D20 VanDerWaalsContact O-CG 3.29Å; S16-D20 PolarHBondContact O-N 3.29Å; D20-V23 PolarHBondContact O-N 2.89Å; D20-S24 WeakPolarHBondContact O-CB 3.3Å; D20-S24 PolarHBondContact O-N 3.23Å; D20-S24 PolarHBondContact O-OG 3.02Å
21	F	55.1	Low	44.5	Very low	64 Å²	64	89.3 Å²	89.3	28%	0.281	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-178.2	-95	0	0	0	113.4	S17 L18 R19 V23 S24 S25 I71 L72 A75	S17-F21 WeakPolarHBondContact O-CB 3.32Å; S17-F21 PolarHBondContact O-N 3.16Å; L18-F21 PolarHBondContact O-N 2.88Å; R19-F21 VanDerWaalsContact C-N 3.33Å; R19-F21 PolarHBondContact O-N 2.83Å; F21-V23 VanDerWaalsContact C-N 3.28Å; F21-V23 PolarHBondContact O-N 2.83Å; F21-S24 WeakPolarHBondContact CA-OG 3.4Å; F21-S24 PolarHBondContact O-N 3.25Å; F21-S25 PolarHBondContact O-N 2.58Å; F21-S25 PolarHBondContact O-OG 2.99Å; F21-S25 VanDerWaalsContact O-OG 3.07Å; F21-I71 HydrophobicContact CE1-CG2 4.27Å; F21-L72 HydrophobicContact CD1-CD2 3.58Å; F21-L72 HydrophobicContact CE1-CD2 3.58Å; F21-A75 HydrophobicContact CE2-CB 4.39Å; F21-A75 HydrophobicContact CZ-CB 3.81Å
22	L	48.8	Very low	43.3	Very low	61 Å²	61	89 Å²	89	32%	0.319	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-31.1	176.5	-70.5	172.1	0	0	0	111.9	L18 R19 L98 L101	L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CB 3.25Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.09Å; R19-L22 PolarHBondContact O-N 3.45Å; L22-L98 HydrophobicContact CD1-CD1 4.17Å; L22-L101 HydrophobicContact CD1-CD1 3.56Å
23	V	44.9	Very low	42	Very low	129 Å²	129	90.2 Å²	90.2	78%	0.782	56%	0.559	S	S	*	*	H	α-helix	trans	-83.3	-25.4	177.7	175.3	0	0	0	0	112.5	R19 D20 F21	R19-V23 WeakPolarHBondContact O-CB 3.25Å; R19-V23 WeakPolarHBondContact O-CG2 3.29Å; R19-V23 PolarHBondContact O-N 3.37Å; D20-V23 PolarHBondContact O-N 2.89Å; F21-V23 VanDerWaalsContact C-N 3.28Å; F21-V23 PolarHBondContact O-N 2.83Å
24	S	33.8	Very low	40.5	Very low	78 Å²	78	93.1 Å²	93.1	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-101.4	-0.1	-173	61.5	0	0	0	0	116.4	D20 F21 P26	D20-S24 WeakPolarHBondContact O-CB 3.3Å; D20-S24 PolarHBondContact O-N 3.23Å; D20-S24 PolarHBondContact O-OG 3.02Å; F21-S24 WeakPolarHBondContact CA-OG 3.4Å; F21-S24 PolarHBondContact O-N 3.25Å; S24-P26 VanDerWaalsContact O-CD 3.28Å; S24-P26 WeakPolarHBondContact O-CD 3.26Å
25	S	29.7	Very low	38.8	Very low	62 Å²	62	97.7 Å²	97.7	43%	0.434	60%	0.598	S	S	.	*			trans	-67.9	117.3	177.6	-70.9	0	0	0	0	111.5	F21	F21-S25 PolarHBondContact O-N 2.58Å; F21-S25 PolarHBondContact O-OG 2.99Å; F21-S25 VanDerWaalsContact O-OG 3.07Å
26	P	32.7	Very low	37.5	Very low	102 Å²	102	107 Å²	107	66%	0.662	62%	0.624	S	S	*	*			trans	-80.7	153.3	-171.1	-9.5	26.3	0	0	0	114.7	S24 D28	S24-P26 VanDerWaalsContact O-CD 3.28Å; S24-P26 WeakPolarHBondContact O-CD 3.26Å; P26-D28 PolarHBondContact O-N 2.93Å
27	Q	29.1	Very low	36	Very low	172 Å²	172	113.6 Å²	113.6	80%	0.804	64%	0.639	S	S	*	*			trans	-66.7	24.8	174.7	-69	179.2	-33.4	0	0	116.1
28	D	28	Very low	34.3	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	67%	0.669	S	S	*	*			trans	-107.1	85.6	-169.1	-75.3	-37.1	0	0	0	113.8	P26	P26-D28 PolarHBondContact O-N 2.93Å
29	A	26.5	Very low	32.6	Very low	88 Å²	88	128.3 Å²	128.3	73%	0.727	71%	0.708	S	S	*	*	S	Bend	trans	-162.6	74.1	146.9	0	0	0	0	0	110.5
30	D	25.7	Very low	31	Very low	162 Å²	162	125.5 Å²	125.5	87%	0.866	71%	0.713	S	S	*	*			trans	173	115.7	130.4	-91.8	-21.8	0	0	0	111.6	A32	D30-A32 PolarHBondContact O-N 2.96Å
31	G	27.5	Very low	29.7	Very low	90 Å²	90	126.5 Å²	126.5	93%	0.928	73%	0.725	S	S	*	*			trans	-76.1	101.5	167.4	0	0	0	0	0	110.5
32	A	26	Very low	28.2	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	75%	0.752	S	S	*	*			trans	-145	129.2	160.6	0	0	0	0	0	110.3	D30	D30-A32 PolarHBondContact O-N 2.96Å
33	S	26.1	Very low	27.1	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	77%	0.771	S	S	*	*			trans	-48.4	134.9	-171.6	60.9	0	0	0	0	115.1	Q35	S33-Q35 PolarHBondContact O-N 3.22Å; S33-Q35 VanDerWaalsContact O-N 3.15Å
34	S	27.1	Very low	26.1	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	76%	0.758	S	S	*	*			trans	-65.9	105.6	171.4	62.6	0	0	0	0	112.1
35	Q	24.3	Very low	26.3	Very low	154 Å²	154	130.5 Å²	130.5	72%	0.72	75%	0.748	S	S	*	*			trans	-110	109.9	147.7	-84.4	-171.6	-4.6	0	0	108	S33 R37	S33-Q35 PolarHBondContact O-N 3.22Å; S33-Q35 VanDerWaalsContact O-N 3.15Å; Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 2.77Å
36	R	27.4	Very low	26.3	Very low	258 Å²	258	127.8 Å²	127.8	97%	0.974	73%	0.731	S	S	*	*			trans	-61	88.4	166.4	-81.4	-179.5	174.6	-170.9	-2.5	108.9
37	R	21.6	Very low	26.3	Very low	208 Å²	208	125.6 Å²	125.6	79%	0.785	71%	0.711	S	S	*	*			trans	-91.8	123.4	156	-74.4	-173.8	179.1	-162.2	-0.3	107.1	Q35 A39	Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 2.77Å; R37-A39 PolarHBondContact O-N 3.19Å
38	R	22.6	Very low	26.9	Very low	254 Å²	254	122 Å²	122	96%	0.958	69%	0.69	S	S	*	*			trans	-51.2	112	167.1	-77.9	178	171.6	-175.3	-3.7	107.6	A40	R38-A40 PolarHBondContact O-N 3.4Å; R38-A40 VanDerWaalsContact O-N 3.17Å
39	A	22.2	Very low	27.8	Very low	101 Å²	101	116.9 Å²	116.9	84%	0.835	66%	0.66	S	S	*	*			trans	-67.6	111.9	172	0	0	0	0	0	107.6	R37	R37-A39 PolarHBondContact O-N 3.19Å
40	A	21.3	Very low	29.1	Very low	69 Å²	69	117.5 Å²	117.5	57%	0.57	65%	0.648	S	S	*	*			trans	-64.8	149	160	0	0	0	0	0	108.3	R38 L42	R38-A40 PolarHBondContact O-N 3.4Å; R38-A40 VanDerWaalsContact O-N 3.17Å; A40-L42 PolarHBondContact O-N 3.32Å
41	P	23.2	Very low	30.6	Very low	128 Å²	128	111 Å²	111	83%	0.831	61%	0.612	S	S	*	*			trans	-67.1	102.4	-178.8	27.2	-30.8	0	0	0	108.9	C43	P41-C43 PolarHBondContact O-N 2.89Å
42	L	23	Very low	32.9	Very low	160 Å²	160	108 Å²	108	84%	0.838	57%	0.574	S	S	*	*			trans	-83.2	108.4	169.7	-93	112.5	0	0	0	108.6	A40 S44	A40-L42 PolarHBondContact O-N 3.32Å; L42-S44 PolarHBondContact O-N 2.89Å
43	C	25.6	Very low	35.5	Very low	107 Å²	107	107.2 Å²	107.2	72%	0.723	56%	0.561	S	S	*	*			trans	-40.7	93.4	166	-75.6	0	0	0	0	113	P41 H45	P41-C43 PolarHBondContact O-N 2.89Å; C43-H45 VanDerWaalsContact C-ND1 3.33Å; C43-H45 WeakPolarHBondContact CB-CE1 3.45Å; C43-H45 WeakPolarHBondContact CB-ND1 3.15Å; C43-H45 PolarHBondContact O-ND1 2.83Å
44	S	24.9	Very low	38.2	Very low	73 Å²	73	105.7 Å²	105.7	51%	0.51	54%	0.541	S	S	.	.			trans	-85.5	112.4	164.9	55	0	0	0	0	108.1	L42 R48	L42-S44 PolarHBondContact O-N 2.89Å; S44-R48 PolarHBondContact O-NH1 2.72Å; S44-R48 PolarHBondContact OG-NH1 3.47Å; S44-R48 VanDerWaalsContact OG-NH1 3.14Å
45	H	38.6	Very low	41	Very low	75 Å²	75	100.1 Å²	100.1	35%	0.347	50%	0.502	S	S	.	.			trans	-120.8	152.8	177.1	-63.7	72.8	0	0	0	107.1	C43 R228 D532	C43-H45 VanDerWaalsContact C-ND1 3.33Å; C43-H45 WeakPolarHBondContact CB-CE1 3.45Å; C43-H45 WeakPolarHBondContact CB-ND1 3.15Å; C43-H45 PolarHBondContact O-ND1 2.83Å; H45-R228 VanDerWaalsContact C-CZ 3.43Å; H45-R228 PolarHBondContact O-NE 3Å; H45-R228 PolarHBondContact O-NH1 3.29Å; H45-R228 PolarHBondContact O-NH2 3.17Å; H45-D532 WeakPolarHBondContact CA-OD2 3.21Å; H45-D532 HydrophobicContact CB-CB 4.34Å; H45-D532 VanDerWaalsContact CB-OD1 3.23Å; H45-D532 WeakPolarHBondContact CB-OD1 3.48Å; H45-D532 WeakPolarHBondContact CB-OD2 3.14Å
46	G	29	Very low	44	Very low	6 Å²	6	96.8 Å²	96.8	6%	0.062	49%	0.486	C	S	.	.	S	Bend	trans	-128.1	-155.6	171.7	0	0	0	0	0	106.8	R48 D532	G46-R48 PolarHBondContact O-N 2.89Å; G46-D532 VanDerWaalsContact C-OD2 3.26Å; G46-D532 WeakPolarHBondContact CA-OD2 3.28Å; G46-D532 PolarHBondContact N-OD2 2.91Å; G46-D532 WeakPolarHBondContact O-CB 3.43Å
47	F	32.2	Very low	46.8	Very low	55 Å²	55	90.6 Å²	90.6	24%	0.241	47%	0.469	C	S	.	.	S	Bend	trans	-66.8	70.1	148.3	-79.6	-100.9	0	0	0	108.4	F49 V530 L537 L542	F47-F49 PolarHBondContact O-N 3.03Å; F47-V530 HydrophobicContact CD1-CG1 3.48Å; F47-V530 VanDerWaalsContact CD1-CG1 3.48Å; F47-V530 HydrophobicContact CD1-CG2 4.45Å; F47-V530 HydrophobicContact CD2-CG1 3.68Å; F47-V530 HydrophobicContact CE1-CB 3.92Å; F47-V530 HydrophobicContact CE1-CG1 3.33Å; F47-V530 HydrophobicContact CE1-CG2 3.44Å; F47-V530 VanDerWaalsContact CE1-CG2 3.44Å; F47-V530 HydrophobicContact CE2-CB 4.22Å; F47-V530 HydrophobicContact CE2-CG1 3.55Å; F47-V530 HydrophobicContact CE2-CG2 3.74Å; F47-V530 HydrophobicContact CG-CG1 3.69Å; F47-V530 HydrophobicContact CZ-CB 3.8Å; F47-V530 HydrophobicContact CZ-CG1 3.41Å; F47-V530 VanDerWaalsContact CZ-CG1 3.41Å; F47-V530 HydrophobicContact CZ-CG2 3.03Å; F47-L537 HydrophobicContact CE2-CD1 3.35Å; F47-L537 HydrophobicContact CZ-CD1 3.72Å; F47-L542 HydrophobicContact CZ-CD1 4.41Å
48	R	41.3	Very low	50	Low	96 Å²	96	82 Å²	82	36%	0.362	44%	0.438	S	S	.	.			trans	-91	88.2	175.3	-75.4	-172.7	-176.3	177.5	-0.8	105.8	S44 G46 H50	S44-R48 PolarHBondContact O-NH1 2.72Å; S44-R48 PolarHBondContact OG-NH1 3.47Å; S44-R48 VanDerWaalsContact OG-NH1 3.14Å; G46-R48 PolarHBondContact O-N 2.89Å; R48-H50 PolarHBondContact O-N 3.49Å
49	F	48.3	Very low	53.2	Low	45 Å²	45	70 Å²	70	20%	0.197	39%	0.393	C	S	.	.			trans	-55	132.8	145.3	-61.8	-68.2	0	0	0	106.1	F47 F51 G359 R360 F488	F47-F49 PolarHBondContact O-N 3.03Å; F49-F51 VanDerWaalsContact C-N 3.25Å; F49-F51 HydrophobicContact CB-CE2 4.42Å; F49-F51 HydrophobicContact CB-CZ 4.32Å; F49-F51 WeakPolarHBondContact O-CD2 3.49Å; F49-F51 PolarHBondContact O-N 3.44Å; F49-G359 WeakPolarHBondContact CD1-O 3.41Å; F49-R360 HydrophobicContact CD1-CB 4.48Å; F49-R360 HydrophobicContact CD1-CG 3.85Å; F49-R360 HydrophobicContact CD2-CG 3.97Å; F49-R360 HydrophobicContact CE1-CB 4.04Å; F49-R360 HydrophobicContact CE1-CG 3.5Å; F49-R360 VanDerWaalsContact CE1-CG 3.5Å; F49-R360 HydrophobicContact CE2-CG 3.63Å; F49-R360 HydrophobicContact CG-CG 4.09Å; F49-R360 HydrophobicContact CZ-CB 4.28Å; F49-R360 HydrophobicContact CZ-CG 3.41Å; F49-R360 VanDerWaalsContact CZ-CG 3.41Å; F49-F488 HydrophobicContact CE1-CE1 4.49Å
50	H	52.3	Low	56.3	Low	102 Å²	102	71.8 Å²	71.8	47%	0.472	38%	0.378	S	S	.	.			trans	-64.6	93.2	175.8	-78.9	-86.3	0	0	0	108.2	R48 E337	R48-H50 PolarHBondContact O-N 3.49Å; H50-E337 IonicContact CE1-OE2 2.72Å; H50-E337 PolarHBondContact CE1-OE2 2.85Å; H50-E337 IonicContact ND1-OE2 2.88Å; H50-E337 IonicContact NE2-OE2 3.84Å
51	F	58.5	Low	59.5	Low	26 Å²	26	69 Å²	69	11%	0.114	35%	0.354	C	S	.	.			trans	-69.8	147.1	171.8	-66.3	-74.5	0	0	0	109	F49 T55 Q56 L211 P213	F49-F51 VanDerWaalsContact C-N 3.25Å; F49-F51 HydrophobicContact CB-CE2 4.42Å; F49-F51 HydrophobicContact CB-CZ 4.32Å; F49-F51 WeakPolarHBondContact O-CD2 3.49Å; F49-F51 PolarHBondContact O-N 3.44Å; F51-T55 HydrophobicContact CB-CG2 4.07Å; F51-T55 HydrophobicContact CD1-CG2 3.95Å; F51-T55 HydrophobicContact CG-CG2 4.22Å; F51-Q56 HydrophobicContact CB-CG 3.9Å; F51-Q56 PolarHBondContact O-NE2 3.2Å; F51-L211 HydrophobicContact CD1-CD2 4.48Å; F51-L211 HydrophobicContact CE1-CD1 4.18Å; F51-L211 HydrophobicContact CE1-CD2 3.82Å; F51-L211 HydrophobicContact CE1-CG 3.98Å; F51-L211 HydrophobicContact CZ-CD1 4.48Å; F51-P213 HydrophobicContact CD1-CG 4.29Å; F51-P213 HydrophobicContact CD2-CB 4.46Å; F51-P213 HydrophobicContact CE1-CB 3.97Å; F51-P213 HydrophobicContact CE1-CG 3.83Å; F51-P213 HydrophobicContact CE2-CB 3.93Å; F51-P213 HydrophobicContact CZ-CB 3.67Å; F51-P213 HydrophobicContact CZ-CG 4.05Å
52	Q	75.7	Confident	62.7	Low	27 Å²	27	62.9 Å²	62.9	13%	0.126	32%	0.315	C	S	.	.			trans	-65.2	150.1	177.5	-65.6	-64	-48.7	0	0	110.9	Q54 T55 Q56 T300 L303	Q52-Q54 VanDerWaalsContact C-N 3.25Å; Q52-Q54 PolarHBondContact O-N 3.32Å; Q52-Q54 VanDerWaalsContact O-N 3.16Å; Q52-T55 PolarHBondContact O-N 2.03Å; Q52-Q56 PolarHBondContact O-N 3.21Å; Q52-T300 HydrophobicContact CB-CG2 4.46Å; Q52-L303 HydrophobicContact CG-CB 3.83Å; Q52-L303 HydrophobicContact CG-CD2 3.86Å; Q52-L303 HydrophobicContact CG-CG 4.29Å
53	P	80	Confident	65.7	Low	75 Å²	75	55.8 Å²	55.8	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-48.7	-45.1	-177.9	-29.9	35.4	0	0	0	113.4	T55 Q56 E57	P53-T55 PolarHBondContact O-N 3.42Å; P53-Q56 WeakPolarHBondContact O-CB 3.19Å; P53-Q56 PolarHBondContact O-N 3.19Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; P53-E57 WeakPolarHBondContact O-CG 3.41Å; P53-E57 PolarHBondContact O-N 2.98Å
54	Q	83.7	Confident	68.6	Low	84 Å²	84	53.2 Å²	53.2	39%	0.393	26%	0.256	S	S	.	.	H	α-helix	trans	-57.8	-45.1	176.9	-172.5	-178.2	9.6	0	0	113.1	Q52 Q56 E57 I58 T300	Q52-Q54 VanDerWaalsContact C-N 3.25Å; Q52-Q54 PolarHBondContact O-N 3.32Å; Q52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-Q56 VanDerWaalsContact C-N 3.32Å; Q54-Q56 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 2.97Å; Q54-I58 HydrophobicContact CG-CD1 4.22Å; Q54-I58 WeakPolarHBondContact O-CG1 3.49Å; Q54-I58 PolarHBondContact O-N 3.12Å; Q54-T300 HydrophobicContact CB-CG2 4.45Å
55	T	86.1	Confident	71.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-35.8	176.4	-65.3	0	0	0	0	111.5	F51 Q52 P53 S59 N140 P213 A286	F51-T55 HydrophobicContact CB-CG2 4.07Å; F51-T55 HydrophobicContact CD1-CG2 3.95Å; F51-T55 HydrophobicContact CG-CG2 4.22Å; Q52-T55 PolarHBondContact O-N 2.03Å; P53-T55 PolarHBondContact O-N 3.42Å; T55-S59 VanDerWaalsContact O-CB 3.24Å; T55-S59 WeakPolarHBondContact O-CB 3.29Å; T55-S59 PolarHBondContact O-N 3.43Å; T55-S59 PolarHBondContact O-OG 2.93Å; T55-N140 WeakPolarHBondContact CB-OD1 3.13Å; T55-N140 WeakPolarHBondContact CG2-OD1 3.31Å; T55-N140 PolarHBondContact OG1-ND2 3.37Å; T55-N140 PolarHBondContact OG1-OD1 3.2Å; T55-P213 HydrophobicContact CG2-CG 4.16Å; T55-A286 HydrophobicContact CG2-CB 3.81Å
56	Q	86.1	Confident	73.8	Confident	83 Å²	83	46.5 Å²	46.5	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-67.2	-41	176.1	-64	-177.1	7.4	0	0	111.8	F51 Q52 P53 Q54 S59 R60	F51-Q56 HydrophobicContact CB-CG 3.9Å; F51-Q56 PolarHBondContact O-NE2 3.2Å; Q52-Q56 PolarHBondContact O-N 3.21Å; P53-Q56 WeakPolarHBondContact O-CB 3.19Å; P53-Q56 PolarHBondContact O-N 3.19Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; Q54-Q56 VanDerWaalsContact C-N 3.32Å; Q54-Q56 PolarHBondContact O-N 3.46Å; Q56-S59 PolarHBondContact O-N 3.16Å; Q56-R60 WeakPolarHBondContact O-CB 3.27Å; Q56-R60 PolarHBondContact O-N 3.2Å
57	E	87.5	Confident	76.5	Confident	129 Å²	129	47.6 Å²	47.6	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-61.3	-51.1	175	-73.5	171.8	178.8	0	0	111	P53 Q54 S59 R60 S61	P53-E57 WeakPolarHBondContact O-CG 3.41Å; P53-E57 PolarHBondContact O-N 2.98Å; Q54-E57 PolarHBondContact O-N 2.97Å; E57-S59 VanDerWaalsContact C-N 3.29Å; E57-S59 PolarHBondContact O-N 3.22Å; E57-R60 WeakPolarHBondContact O-CB 3.36Å; E57-R60 PolarHBondContact O-N 2.7Å; E57-R60 VanDerWaalsContact O-N 3.08Å; E57-S61 PolarHBondContact O-N 3.04Å; E57-S61 PolarHBondContact O-OG 3.15Å; E57-S61 VanDerWaalsContact O-OG 3.12Å
58	I	88.6	Confident	79.1	Confident	27 Å²	27	45.6 Å²	45.6	14%	0.138	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-41.1	177.6	-64.6	171.2	0	0	0	111.1	Q54 R60 S61 G62 P105 N140 L284	Q54-I58 HydrophobicContact CG-CD1 4.22Å; Q54-I58 WeakPolarHBondContact O-CG1 3.49Å; Q54-I58 PolarHBondContact O-N 3.12Å; I58-R60 VanDerWaalsContact C-N 3.33Å; I58-R60 PolarHBondContact O-N 2.85Å; I58-S61 PolarHBondContact O-N 3.33Å; I58-G62 PolarHBondContact O-N 2.97Å; I58-G62 VanDerWaalsContact O-N 3.08Å; I58-P105 HydrophobicContact CB-CG 4.43Å; I58-P105 HydrophobicContact CD1-CG 4.19Å; I58-P105 HydrophobicContact CG1-CG 3.83Å; I58-P105 HydrophobicContact CG2-CG 3.93Å; I58-N140 HydrophobicContact CD1-CB 3.47Å; I58-N140 VanDerWaalsContact CD1-CB 3.47Å; I58-N140 HydrophobicContact CG2-CB 4.21Å; I58-L284 HydrophobicContact CG2-CD1 4.3Å; I58-L284 HydrophobicContact CG2-CD2 4.27Å
59	S	89.1	Confident	81.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-44.3	175.2	-62.8	0	0	0	0	111.4	T55 Q56 E57 G62 E63	T55-S59 VanDerWaalsContact O-CB 3.24Å; T55-S59 WeakPolarHBondContact O-CB 3.29Å; T55-S59 PolarHBondContact O-N 3.43Å; T55-S59 PolarHBondContact O-OG 2.93Å; Q56-S59 PolarHBondContact O-N 3.16Å; E57-S59 VanDerWaalsContact C-N 3.29Å; E57-S59 PolarHBondContact O-N 3.22Å; S59-G62 PolarHBondContact O-N 2.88Å; S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.25Å
60	R	87.9	Confident	82.9	Confident	138 Å²	138	41.9 Å²	41.9	52%	0.521	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-42.3	177.2	177.4	173.6	-168.8	-162.9	0.4	111.7	Q56 E57 I58 G62 E63 I64 L216 A219	Q56-R60 WeakPolarHBondContact O-CB 3.27Å; Q56-R60 PolarHBondContact O-N 3.2Å; E57-R60 WeakPolarHBondContact O-CB 3.36Å; E57-R60 PolarHBondContact O-N 2.7Å; E57-R60 VanDerWaalsContact O-N 3.08Å; I58-R60 VanDerWaalsContact C-N 3.33Å; I58-R60 PolarHBondContact O-N 2.85Å; R60-G62 VanDerWaalsContact C-N 3.33Å; R60-G62 PolarHBondContact O-N 3.09Å; R60-E63 PolarHBondContact O-N 3.11Å; R60-I64 HydrophobicContact CG-CD1 3.78Å; R60-I64 HydrophobicContact CG-CG1 4.36Å; R60-I64 WeakPolarHBondContact O-CG1 3.44Å; R60-I64 PolarHBondContact O-N 2.94Å; R60-L216 HydrophobicContact CB-CD1 4.31Å; R60-A219 HydrophobicContact CB-CB 4.44Å; R60-A219 HydrophobicContact CG-CB 4.04Å; R60-A219 PolarHBondContact NE-O 2.86Å
61	S	88.8	Confident	84.5	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-45	176.4	-57.1	0	0	0	0	111.8	E57 I58 E63 I64 F65 S102 Q103	E57-S61 PolarHBondContact O-N 3.04Å; E57-S61 PolarHBondContact O-OG 3.15Å; E57-S61 VanDerWaalsContact O-OG 3.12Å; I58-S61 PolarHBondContact O-N 3.33Å; S61-E63 PolarHBondContact O-N 2.96Å; S61-I64 PolarHBondContact O-N 3.12Å; S61-F65 WeakPolarHBondContact O-CB 3.32Å; S61-F65 PolarHBondContact O-N 3.35Å; S61-S102 VanDerWaalsContact CA-O 3.28Å; S61-S102 WeakPolarHBondContact CA-O 3.48Å; S61-S102 WeakPolarHBondContact CB-O 3.49Å; S61-S102 PolarHBondContact OG-O 3.42Å; S61-Q103 VanDerWaalsContact CB-O 3.25Å; S61-Q103 WeakPolarHBondContact CB-O 3.47Å; S61-Q103 PolarHBondContact OG-O 3.45Å
62	G	88.6	Confident	85.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-45.5	174.1	0	0	0	0	0	112.8	I58 S59 R60 F65 H66	I58-G62 PolarHBondContact O-N 2.97Å; I58-G62 VanDerWaalsContact O-N 3.08Å; S59-G62 PolarHBondContact O-N 2.88Å; R60-G62 VanDerWaalsContact C-N 3.33Å; R60-G62 PolarHBondContact O-N 3.09Å; G62-F65 PolarHBondContact O-N 2.74Å; G62-H66 PolarHBondContact O-CD2 3.24Å; G62-H66 VanDerWaalsContact O-CD2 3.26Å; G62-H66 PolarHBondContact O-N 3.01Å; G62-H66 VanDerWaalsContact O-N 3.12Å
63	E	86.6	Confident	86.3	Confident	11 Å²	11	39.6 Å²	39.6	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-44	177.2	-65.4	-58.8	166.5	0	0	112.7	S59 R60 S61 F65 H66 A67 S215 A219 H235 P269	S59-E63 WeakPolarHBondContact O-CG 3.46Å; S59-E63 PolarHBondContact O-N 3.25Å; R60-E63 PolarHBondContact O-N 3.11Å; S61-E63 PolarHBondContact O-N 2.96Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 3.49Å; E63-H66 PolarHBondContact O-N 3.21Å; E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 3.43Å; E63-S215 WeakPolarHBondContact OE1-CA 3.22Å; E63-S215 WeakPolarHBondContact OE1-CB 3.28Å; E63-S215 PolarHBondContact OE1-OG 3.3Å; E63-A219 HydrophobicContact CB-CB 4.07Å; E63-A219 HydrophobicContact CG-CB 4.31Å; E63-H235 IonicContact OE2-CE1 3.58Å; E63-H235 PolarHBondContact OE2-CE1 2.91Å; E63-H235 VanDerWaalsContact OE2-CE1 3.28Å; E63-H235 IonicContact OE2-NE2 3.64Å; E63-P269 WeakPolarHBondContact OE1-CD 3.46Å
64	I	86.8	Confident	86.5	Confident	53 Å²	53	39.5 Å²	39.5	27%	0.272	19%	0.193	S	C	.	.	H	α-helix	trans	-61.9	-44.7	178.8	-68.8	168.8	0	0	0	110.2	R60 S61 A67 A68	R60-I64 HydrophobicContact CG-CD1 3.78Å; R60-I64 HydrophobicContact CG-CG1 4.36Å; R60-I64 WeakPolarHBondContact O-CG1 3.44Å; R60-I64 PolarHBondContact O-N 2.94Å; S61-I64 PolarHBondContact O-N 3.12Å; I64-A67 PolarHBondContact O-N 3.34Å; I64-A68 WeakPolarHBondContact O-CB 3.44Å; I64-A68 PolarHBondContact O-N 3.3Å
65	F	88	Confident	86.7	Confident	2 Å²	2	37 Å²	37	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-51.7	179.1	178.5	-92.3	0	0	0	112	S61 G62 E63 A68 L69 L95 L98 A99 S102 C272	S61-F65 WeakPolarHBondContact O-CB 3.32Å; S61-F65 PolarHBondContact O-N 3.35Å; G62-F65 PolarHBondContact O-N 2.74Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 3.49Å; F65-A68 PolarHBondContact O-N 3.1Å; F65-L69 PolarHBondContact O-N 3.18Å; F65-L95 HydrophobicContact CZ-CD2 4.43Å; F65-L98 HydrophobicContact CD2-CB 4.35Å; F65-L98 HydrophobicContact CD2-CD2 4.09Å; F65-L98 HydrophobicContact CD2-CG 3.86Å; F65-L98 HydrophobicContact CE2-CB 4.07Å; F65-L98 HydrophobicContact CE2-CD2 3.93Å; F65-L98 HydrophobicContact CE2-CG 3.94Å; F65-L98 HydrophobicContact CZ-CD2 4.45Å; F65-A99 HydrophobicContact CD2-CB 4.18Å; F65-A99 HydrophobicContact CE2-CB 3.97Å; F65-S102 WeakPolarHBondContact CA-OG 3.24Å; F65-C272 HydrophobicContact CE1-CB 3.82Å; F65-C272 HydrophobicContact CZ-CB 4.27Å
66	H	85.3	Confident	86.7	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.023	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-37.7	-179.6	-79.2	-95	0	0	0	112.1	G62 E63 A68 L69 Q70 P269 A270	G62-H66 PolarHBondContact O-CD2 3.24Å; G62-H66 VanDerWaalsContact O-CD2 3.26Å; G62-H66 PolarHBondContact O-N 3.01Å; G62-H66 VanDerWaalsContact O-N 3.12Å; E63-H66 PolarHBondContact O-N 3.21Å; H66-A68 PolarHBondContact O-N 2.97Å; H66-L69 PolarHBondContact O-N 3.4Å; H66-Q70 PolarHBondContact O-N 3.44Å; H66-P269 HydrophobicContact CB-CG 4.32Å; H66-P269 VanDerWaalsContact CD2-CB 3.43Å; H66-P269 WeakPolarHBondContact CD2-CB 3.24Å; H66-A270 PolarHBondContact NE2-O 3.2Å
67	A	84.4	Confident	86.8	Confident	29 Å²	29	38.2 Å²	38.2	24%	0.24	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-43.5	175.4	0	0	0	0	0	112	E63 I64 Q70 I71 A220	E63-A67 WeakPolarHBondContact O-CB 3.41Å; E63-A67 PolarHBondContact O-N 3.43Å; I64-A67 PolarHBondContact O-N 3.34Å; A67-Q70 PolarHBondContact O-N 3.48Å; A67-I71 WeakPolarHBondContact O-CG1 3.01Å; A67-I71 PolarHBondContact O-N 3.4Å; A67-A220 HydrophobicContact CB-CB 4.22Å
68	A	86.8	Confident	86.9	Confident	14 Å²	14	40 Å²	40	12%	0.116	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-40	177.6	0	0	0	0	0	111.9	I64 F65 H66 Q70 I71 L72 L98	I64-A68 WeakPolarHBondContact O-CB 3.44Å; I64-A68 PolarHBondContact O-N 3.3Å; F65-A68 PolarHBondContact O-N 3.1Å; H66-A68 PolarHBondContact O-N 2.97Å; A68-Q70 VanDerWaalsContact C-N 3.3Å; A68-Q70 PolarHBondContact O-N 3.18Å; A68-I71 PolarHBondContact O-N 3.27Å; A68-L72 WeakPolarHBondContact O-CG 3.5Å; A68-L72 PolarHBondContact O-N 3.18Å; A68-L98 HydrophobicContact CB-CD1 3.71Å; A68-L98 HydrophobicContact CB-CD2 4.46Å
69	L	85.6	Confident	86.9	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-43.9	173.3	-176.8	61.1	0	0	0	111.8	F65 H66 L72 K73 A86 L90 L98	F65-L69 PolarHBondContact O-N 3.18Å; H66-L69 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 2.94Å; L69-K73 HydrophobicContact CG-CD 4.33Å; L69-K73 WeakPolarHBondContact O-CG 3.01Å; L69-K73 PolarHBondContact O-N 2.79Å; L69-A86 HydrophobicContact CD1-CB 3.7Å; L69-A86 HydrophobicContact CD2-CB 3.88Å; L69-A86 HydrophobicContact CG-CB 4.24Å; L69-L90 HydrophobicContact CD1-CD1 3.65Å; L69-L98 HydrophobicContact CB-CD2 4.45Å
70	Q	84.1	Confident	86.9	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-68.5	-35	179.5	-169.8	63.8	-8.7	0	0	112.8	H66 A67 A68 K73 N74 E156	H66-Q70 PolarHBondContact O-N 3.44Å; A67-Q70 PolarHBondContact O-N 3.48Å; A68-Q70 VanDerWaalsContact C-N 3.3Å; A68-Q70 PolarHBondContact O-N 3.18Å; Q70-K73 PolarHBondContact O-N 3.37Å; Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 VanDerWaalsContact O-CG 3.27Å; Q70-N74 PolarHBondContact O-N 3.38Å; Q70-N74 PolarHBondContact O-ND2 3.21Å; Q70-E156 PolarHBondContact OE1-OE1 3.45Å
71	I	85.7	Confident	86.8	Confident	79 Å²	79	51.3 Å²	51.3	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-46.1	172.5	-69.9	166.7	0	0	0	110.5	F21 A67 A68 K73 N74 A75	F21-I71 HydrophobicContact CE1-CG2 4.27Å; A67-I71 WeakPolarHBondContact O-CG1 3.01Å; A67-I71 PolarHBondContact O-N 3.4Å; A68-I71 PolarHBondContact O-N 3.27Å; I71-K73 PolarHBondContact O-N 2.89Å; I71-N74 PolarHBondContact O-N 3.11Å; I71-A75 WeakPolarHBondContact O-CB 3.08Å; I71-A75 PolarHBondContact O-N 2.94Å
72	L	86.7	Confident	86.7	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-43.5	178.2	-67.3	165.3	0	0	0	111.4	L13 L18 F21 A68 L69 A75 A76 L90 L98	L13-L72 HydrophobicContact CD1-CD2 4.32Å; L18-L72 HydrophobicContact CD1-CD1 3.79Å; L18-L72 HydrophobicContact CD1-CD2 3.71Å; L18-L72 HydrophobicContact CD1-CG 4.44Å; F21-L72 HydrophobicContact CD1-CD2 3.58Å; F21-L72 HydrophobicContact CE1-CD2 3.58Å; A68-L72 WeakPolarHBondContact O-CG 3.5Å; A68-L72 PolarHBondContact O-N 3.18Å; L69-L72 PolarHBondContact O-N 2.94Å; L72-A75 PolarHBondContact O-N 3.03Å; L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 3.36Å; L72-L90 HydrophobicContact CD1-CD1 4Å; L72-L90 HydrophobicContact CD1-CD2 4.24Å; L72-L98 HydrophobicContact CD1-CD2 4.48Å
73	K	85.5	Confident	86.3	Confident	20 Å²	20	61.2 Å²	61.2	9%	0.087	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-45.6	174.6	-74.7	171.5	63.4	-176.7	0	112	L69 Q70 I71 A76 K77 F84 L89 D153 E155	L69-K73 HydrophobicContact CG-CD 4.33Å; L69-K73 WeakPolarHBondContact O-CG 3.01Å; L69-K73 PolarHBondContact O-N 2.79Å; Q70-K73 PolarHBondContact O-N 3.37Å; I71-K73 PolarHBondContact O-N 2.89Å; K73-A76 PolarHBondContact O-N 3.28Å; K73-K77 WeakPolarHBondContact O-CB 3.29Å; K73-K77 PolarHBondContact O-N 3.2Å; K73-F84 WeakPolarHBondContact CE-O 3.25Å; K73-L89 HydrophobicContact CB-CD1 4.27Å; K73-L89 HydrophobicContact CG-CD1 3.68Å; K73-D153 IonicContact NZ-OD2 3.97Å; K73-E155 WeakPolarHBondContact CE-OE2 3.22Å; K73-E155 IonicContact NZ-OE2 2.66Å; K73-E155 PolarHBondContact NZ-OE2 3.36Å
74	N	85.5	Confident	86.1	Confident	72 Å²	72	61.2 Å²	61.2	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-42	179	-74.7	-25.3	0	0	0	112.5	Q70 I71 K77 Q78	Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 VanDerWaalsContact O-CG 3.27Å; Q70-N74 PolarHBondContact O-N 3.38Å; Q70-N74 PolarHBondContact O-ND2 3.21Å; I71-N74 PolarHBondContact O-N 3.11Å; N74-K77 PolarHBondContact O-N 2.89Å; N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 2.84Å
75	A	86.8	Confident	85.8	Confident	32 Å²	32	61.1 Å²	61.1	26%	0.264	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-43.6	175.9	0	0	0	0	0	111.6	F21 I71 L72 Q78 K79	F21-A75 HydrophobicContact CE2-CB 4.39Å; F21-A75 HydrophobicContact CZ-CB 3.81Å; I71-A75 WeakPolarHBondContact O-CB 3.08Å; I71-A75 PolarHBondContact O-N 2.94Å; L72-A75 PolarHBondContact O-N 3.03Å; A75-Q78 PolarHBondContact O-N 3.47Å; A75-K79 WeakPolarHBondContact O-CB 3.46Å; A75-K79 PolarHBondContact O-N 3.19Å
76	A	87.4	Confident	85.3	Confident	11 Å²	11	61 Å²	61	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-41.9	174.5	0	0	0	0	0	111.9	L72 K73 Q78 K79 Y80 F84 L89	L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 3.36Å; K73-A76 PolarHBondContact O-N 3.28Å; A76-Q78 VanDerWaalsContact C-N 3.35Å; A76-Q78 PolarHBondContact O-N 3.25Å; A76-K79 PolarHBondContact O-N 3.23Å; A76-Y80 HydrophobicContact CB-CD2 4.38Å; A76-Y80 VanDerWaalsContact O-CD2 3.25Å; A76-Y80 WeakPolarHBondContact O-CD2 3.49Å; A76-Y80 PolarHBondContact O-N 3.43Å; A76-F84 HydrophobicContact CB-CD2 3.87Å; A76-F84 HydrophobicContact CB-CE2 4.04Å; A76-F84 HydrophobicContact CB-CG 4.41Å; A76-L89 HydrophobicContact CB-CD1 4.07Å; A76-L89 HydrophobicContact CB-CD2 3.42Å; A76-L89 VanDerWaalsContact CB-CD2 3.42Å; A76-L89 HydrophobicContact CB-CG 4.4Å
77	K	87.3	Confident	85	Confident	97 Å²	97	64 Å²	64	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-58.8	-45.3	175.4	-179.6	-178.3	-178.2	165.4	0	112.1	K73 N74 K79 N81 R82 N83	K73-K77 WeakPolarHBondContact O-CB 3.29Å; K73-K77 PolarHBondContact O-N 3.2Å; N74-K77 PolarHBondContact O-N 2.89Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-N81 WeakPolarHBondContact O-CA 3.45Å; K77-N81 PolarHBondContact O-N 2.03Å; K77-R82 VanDerWaalsContact CA-O 3.26Å; K77-R82 WeakPolarHBondContact CA-O 3.36Å; K77-N83 WeakPolarHBondContact CD-OD1 3.33Å; K77-N83 WeakPolarHBondContact CE-OD1 3.38Å; K77-N83 PolarHBondContact NZ-OD1 3.4Å
78	Q	88.8	Confident	84.8	Confident	168 Å²	168	66.7 Å²	66.7	79%	0.785	33%	0.333	S	S	*	.	H	α-helix	trans	-63.6	-40.9	176.4	-72.5	176.2	0.5	0	0	111.9	N74 A75 A76	N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 2.84Å; A75-Q78 PolarHBondContact O-N 3.47Å; A76-Q78 VanDerWaalsContact C-N 3.35Å; A76-Q78 PolarHBondContact O-N 3.25Å
79	K	89.5	Confident	84.5	Confident	155 Å²	155	66.9 Å²	66.9	67%	0.674	33%	0.332	S	S	*	.	H	α-helix	trans	-71	-40.5	-177.8	-175.4	174.5	178.8	-174	0	113.6	A75 A76 K77	A75-K79 WeakPolarHBondContact O-CB 3.46Å; A75-K79 PolarHBondContact O-N 3.19Å; A76-K79 PolarHBondContact O-N 3.23Å; K77-K79 VanDerWaalsContact C-N 3.35Å
80	Y	88.4	Confident	84.4	Confident	94 Å²	94	66.7 Å²	66.7	37%	0.369	33%	0.331	S	S	.	.	H	α-helix	trans	-111.2	1.2	-172.2	-58.5	-76.8	0	0	0	113.8	A76 R82 F84	A76-Y80 HydrophobicContact CB-CD2 4.38Å; A76-Y80 VanDerWaalsContact O-CD2 3.25Å; A76-Y80 WeakPolarHBondContact O-CD2 3.49Å; A76-Y80 PolarHBondContact O-N 3.43Å; Y80-R82 PolarHBondContact O-N 3.24Å; Y80-F84 HydrophobicContact CD2-CE1 4.49Å; Y80-F84 AromaticContact CD2-CE2 3.85Å; Y80-F84 HydrophobicContact CD2-CE2 3.85Å; Y80-F84 AromaticContact CD2-CZ 3.52Å; Y80-F84 HydrophobicContact CD2-CZ 3.52Å; Y80-F84 HydrophobicContact CE2-CZ 4.42Å; Y80-F84 HydrophobicContact CG-CE2 4.15Å; Y80-F84 AromaticContact CG-CZ 3.71Å; Y80-F84 HydrophobicContact CG-CZ 3.71Å
81	N	86.4	Confident	84.4	Confident	154 Å²	154	65.8 Å²	65.8	82%	0.824	33%	0.331	S	S	*	.	S	Bend	trans	51.4	36	-179.9	-161.6	33.6	0	0	0	114.1	K77	K77-N81 WeakPolarHBondContact O-CA 3.45Å; K77-N81 PolarHBondContact O-N 2.03Å
82	R	85.8	Confident	84.2	Confident	104 Å²	104	66 Å²	66	39%	0.392	33%	0.33	S	S	.	.	S	Bend	trans	-145.5	154.1	174.3	72.7	175.8	-177	114.5	-9.8	110.7	K77 Y80 F84 E88	K77-R82 VanDerWaalsContact CA-O 3.26Å; K77-R82 WeakPolarHBondContact CA-O 3.36Å; Y80-R82 PolarHBondContact O-N 3.24Å; R82-F84 HydrophobicContact CG-CD2 4.04Å; R82-F84 HydrophobicContact CG-CE1 4.4Å; R82-F84 HydrophobicContact CG-CE2 3.4Å; R82-F84 HydrophobicContact CG-CZ 3.61Å; R82-F84 VanDerWaalsContact NE-CZ 3.26Å; R82-F84 WeakPolarHBondContact O-CD2 3.49Å; R82-F84 VanDerWaalsContact O-CE2 3.29Å; R82-F84 WeakPolarHBondContact O-CE2 3.43Å; R82-E88 IonicContact NH1-OE1 3.39Å; R82-E88 PolarHBondContact NH1-OE1 3.25Å
83	N	80.8	Confident	84.1	Confident	115 Å²	115	72.2 Å²	72.2	62%	0.615	36%	0.359	S	S	*	.			trans	-73.1	150.2	170.9	-69.1	-14.8	0	0	0	110.1	K77	K77-N83 WeakPolarHBondContact CD-OD1 3.33Å; K77-N83 WeakPolarHBondContact CE-OD1 3.38Å; K77-N83 PolarHBondContact NZ-OD1 3.4Å
84	F	82.1	Confident	84	Confident	10 Å²	10	71.4 Å²	71.4	4%	0.044	36%	0.356	C	S	.	.			trans	-132.7	146.2	175.9	-66.9	-103.6	0	0	0	109.7	P10 K73 A76 Y80 R82 E88 L89	P10-F84 HydrophobicContact CG-CE1 4.49Å; K73-F84 WeakPolarHBondContact CE-O 3.25Å; A76-F84 HydrophobicContact CB-CD2 3.87Å; A76-F84 HydrophobicContact CB-CE2 4.04Å; A76-F84 HydrophobicContact CB-CG 4.41Å; Y80-F84 HydrophobicContact CD2-CE1 4.49Å; Y80-F84 AromaticContact CD2-CE2 3.85Å; Y80-F84 HydrophobicContact CD2-CE2 3.85Å; Y80-F84 AromaticContact CD2-CZ 3.52Å; Y80-F84 HydrophobicContact CD2-CZ 3.52Å; Y80-F84 HydrophobicContact CE2-CZ 4.42Å; Y80-F84 HydrophobicContact CG-CE2 4.15Å; Y80-F84 AromaticContact CG-CZ 3.71Å; Y80-F84 HydrophobicContact CG-CZ 3.71Å; R82-F84 HydrophobicContact CG-CD2 4.04Å; R82-F84 HydrophobicContact CG-CE1 4.4Å; R82-F84 HydrophobicContact CG-CE2 3.4Å; R82-F84 HydrophobicContact CG-CZ 3.61Å; R82-F84 VanDerWaalsContact NE-CZ 3.26Å; R82-F84 WeakPolarHBondContact O-CD2 3.49Å; R82-F84 VanDerWaalsContact O-CE2 3.29Å; R82-F84 WeakPolarHBondContact O-CE2 3.43Å; F84-E88 WeakPolarHBondContact CA-OE2 3.5Å; F84-E88 HydrophobicContact CD1-CB 4.3Å; F84-L89 HydrophobicContact CB-CD1 3.68Å; F84-L89 HydrophobicContact CB-CD2 3.9Å; F84-L89 HydrophobicContact CB-CG 3.62Å; F84-L89 HydrophobicContact CD1-CD2 3.68Å; F84-L89 HydrophobicContact CD1-CG 4.17Å; F84-L89 HydrophobicContact CD2-CD2 4.37Å; F84-L89 HydrophobicContact CE1-CD2 4.23Å; F84-L89 HydrophobicContact CG-CD1 4.39Å; F84-L89 HydrophobicContact CG-CD2 3.76Å; F84-L89 HydrophobicContact CG-CG 4.07Å
85	T	81.4	Confident	83.9	Confident	51 Å²	51	68.3 Å²	68.3	31%	0.313	34%	0.339	S	S	.	.			trans	-79.2	158.8	165.2	59	0	0	0	0	110.5	S87 E88 L89 E155	T85-S87 PolarHBondContact O-N 3.1Å; T85-E88 PolarHBondContact N-OE2 3.16Å; T85-E88 PolarHBondContact O-N 3.32Å; T85-E88 WeakPolarHBondContact OG1-CB 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.18Å; T85-E88 PolarHBondContact OG1-N 2.86Å; T85-E88 PolarHBondContact OG1-OE2 3.2Å; T85-L89 PolarHBondContact O-N 3.42Å; T85-E155 WeakPolarHBondContact CA-OE1 3.44Å; T85-E155 WeakPolarHBondContact CB-OE1 3.33Å
86	A	77.6	Confident	83.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-55.8	-42.2	172.8	0	0	0	0	0	111.5	L69 E88 L89 L90 E155 M279	L69-A86 HydrophobicContact CD1-CB 3.7Å; L69-A86 HydrophobicContact CD2-CB 3.88Å; L69-A86 HydrophobicContact CG-CB 4.24Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 2.66Å; A86-L89 PolarHBondContact O-N 2.99Å; A86-L89 VanDerWaalsContact O-N 3.16Å; A86-L90 PolarHBondContact O-N 3.02Å; A86-E155 PolarHBondContact N-OE1 2.63Å; A86-M279 VanDerWaalsContact C-SD 3.58Å; A86-M279 HydrophobicContact CB-CB 4.04Å; A86-M279 HydrophobicContact CB-CG 4.43Å; A86-M279 HydrophobicContact CB-SD 3.5Å; A86-M279 WeakPolarHBondContact CB-SD 3.36Å
87	S	78.4	Confident	83.7	Confident	68 Å²	68	71.8 Å²	71.8	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-68.8	-27.6	-178.6	-51.2	0	0	0	0	113.4	T85 M279	T85-S87 PolarHBondContact O-N 3.1Å; S87-M279 VanDerWaalsContact CA-SD 3.54Å; S87-M279 PolarHBondContact N-SD 2.81Å; S87-M279 WeakPolarHBondContact OG-CE 3.14Å; S87-M279 WeakPolarHBondContact OG-CG 3.18Å; S87-M279 PolarHBondContact OG-SD 3.14Å
88	E	80.7	Confident	83.7	Confident	86 Å²	86	67.2 Å²	67.2	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-75.7	-26.1	173.8	-77.3	171.4	123.1	0	0	112.8	R82 F84 T85 A86	R82-E88 IonicContact NH1-OE1 3.39Å; R82-E88 PolarHBondContact NH1-OE1 3.25Å; F84-E88 WeakPolarHBondContact CA-OE2 3.5Å; F84-E88 HydrophobicContact CD1-CB 4.3Å; T85-E88 PolarHBondContact N-OE2 3.16Å; T85-E88 PolarHBondContact O-N 3.32Å; T85-E88 WeakPolarHBondContact OG1-CB 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.18Å; T85-E88 PolarHBondContact OG1-N 2.86Å; T85-E88 PolarHBondContact OG1-OE2 3.2Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 2.66Å
89	L	80.9	Confident	83.6	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-93.7	-40.6	-174.4	-71.5	172	0	0	0	113.5	K73 A76 F84 T85 A86	K73-L89 HydrophobicContact CB-CD1 4.27Å; K73-L89 HydrophobicContact CG-CD1 3.68Å; A76-L89 HydrophobicContact CB-CD1 4.07Å; A76-L89 HydrophobicContact CB-CD2 3.42Å; A76-L89 VanDerWaalsContact CB-CD2 3.42Å; A76-L89 HydrophobicContact CB-CG 4.4Å; F84-L89 HydrophobicContact CB-CD1 3.68Å; F84-L89 HydrophobicContact CB-CD2 3.9Å; F84-L89 HydrophobicContact CB-CG 3.62Å; F84-L89 HydrophobicContact CD1-CD2 3.68Å; F84-L89 HydrophobicContact CD1-CG 4.17Å; F84-L89 HydrophobicContact CD2-CD2 4.37Å; F84-L89 HydrophobicContact CE1-CD2 4.23Å; F84-L89 HydrophobicContact CG-CD1 4.39Å; F84-L89 HydrophobicContact CG-CD2 3.76Å; F84-L89 HydrophobicContact CG-CG 4.07Å; T85-L89 PolarHBondContact O-N 3.42Å; A86-L89 PolarHBondContact O-N 2.99Å; A86-L89 VanDerWaalsContact O-N 3.16Å
90	L	82.7	Confident	83.6	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	29%	0.292	C	S	.	.			trans	-119.2	130	-167.5	-58.2	177.2	0	0	0	110.6	L13 L18 L69 L72 A86 N94 L95 L98	L13-L90 HydrophobicContact CD1-CD2 4.02Å; L18-L90 HydrophobicContact CD1-CD2 4.23Å; L69-L90 HydrophobicContact CD1-CD1 3.65Å; L72-L90 HydrophobicContact CD1-CD1 4Å; L72-L90 HydrophobicContact CD1-CD2 4.24Å; A86-L90 PolarHBondContact O-N 3.02Å; L90-N94 HydrophobicContact CB-CB 4.2Å; L90-N94 HydrophobicContact CD2-CB 4.17Å; L90-L95 HydrophobicContact CB-CD2 3.96Å; L90-L95 HydrophobicContact CB-CG 3.95Å; L90-L95 HydrophobicContact CD1-CD2 3.59Å; L90-L95 HydrophobicContact CD1-CG 4.4Å; L90-L95 HydrophobicContact CG-CD2 4.42Å; L90-L98 HydrophobicContact CD1-CD2 4.47Å
91	S	83.9	Confident	83.6	Confident	36 Å²	36	58 Å²	58	25%	0.252	30%	0.295	S	S	.	.			trans	-68.2	162.4	163.9	64.5	0	0	0	0	110.6	E93 N94 L95	S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 PolarHBondContact O-N 3.37Å; S91-N94 WeakPolarHBondContact O-CB 3.49Å; S91-N94 PolarHBondContact O-N 3.24Å; S91-N94 PolarHBondContact OG-N 2.93Å; S91-N94 PolarHBondContact OG-ND2 3.24Å; S91-L95 PolarHBondContact O-N 3.47Å; S91-L95 VanDerWaalsContact O-N 3.15Å
92	Q	81.8	Confident	83.6	Confident	83 Å²	83	50.9 Å²	50.9	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-54	-44.2	175.6	-177.5	61	23.3	0	0	112.4	N94 L95 E96	Q92-N94 VanDerWaalsContact C-N 3.28Å; Q92-N94 PolarHBondContact O-N 2.76Å; Q92-L95 WeakPolarHBondContact O-CB 3.45Å; Q92-L95 PolarHBondContact O-N 3.01Å; Q92-L95 VanDerWaalsContact O-N 3.08Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.07Å; Q92-E96 PolarHBondContact NE2-OE1 2.97Å; Q92-E96 PolarHBondContact O-N 2.67Å
93	E	83.6	Confident	83.8	Confident	139 Å²	139	53.3 Å²	53.3	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-36.8	177	-64.2	171.6	-175.9	0	0	112.9	S91 L97	S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 PolarHBondContact O-N 3.37Å; E93-L97 WeakPolarHBondContact O-CB 3.03Å; E93-L97 PolarHBondContact O-N 3.29Å
94	N	84.8	Confident	84.1	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-72.2	-31.6	177.4	-76.5	-49.1	0	0	0	112.3	L13 S15 L18 L90 S91 Q92 L98	L13-N94 PolarHBondContact O-ND2 3.41Å; S15-N94 WeakPolarHBondContact CA-OD1 3.44Å; S15-N94 PolarHBondContact N-OD1 3.39Å; L18-N94 HydrophobicContact CD2-CB 3.94Å; L90-N94 HydrophobicContact CB-CB 4.2Å; L90-N94 HydrophobicContact CD2-CB 4.17Å; S91-N94 WeakPolarHBondContact O-CB 3.49Å; S91-N94 PolarHBondContact O-N 3.24Å; S91-N94 PolarHBondContact OG-N 2.93Å; S91-N94 PolarHBondContact OG-ND2 3.24Å; Q92-N94 VanDerWaalsContact C-N 3.28Å; Q92-N94 PolarHBondContact O-N 2.76Å; N94-L98 WeakPolarHBondContact O-CB 3.32Å; N94-L98 PolarHBondContact O-N 3.1Å
95	L	83.5	Confident	84.2	Confident	7 Å²	7	51 Å²	51	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-72.1	-39.8	175.4	-68.1	167.2	0	0	0	111.4	F65 L90 S91 Q92 L97 L98 A99 M279	F65-L95 HydrophobicContact CZ-CD2 4.43Å; L90-L95 HydrophobicContact CB-CD2 3.96Å; L90-L95 HydrophobicContact CB-CG 3.95Å; L90-L95 HydrophobicContact CD1-CD2 3.59Å; L90-L95 HydrophobicContact CD1-CG 4.4Å; L90-L95 HydrophobicContact CG-CD2 4.42Å; S91-L95 PolarHBondContact O-N 3.47Å; S91-L95 VanDerWaalsContact O-N 3.15Å; Q92-L95 WeakPolarHBondContact O-CB 3.45Å; Q92-L95 PolarHBondContact O-N 3.01Å; Q92-L95 VanDerWaalsContact O-N 3.08Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L98 PolarHBondContact O-N 3.37Å; L95-A99 WeakPolarHBondContact O-CB 3.46Å; L95-A99 PolarHBondContact O-N 3.19Å; L95-M279 HydrophobicContact CD1-CE 3.16Å; L95-M279 HydrophobicContact CD1-SD 3.65Å
96	E	83.3	Confident	84.3	Confident	101 Å²	101	54.6 Å²	54.6	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-45	172.8	-73.3	166.8	-167.9	0	0	110.9	Q92 L98 A99 E100	Q92-E96 WeakPolarHBondContact CG-OE1 3.07Å; Q92-E96 PolarHBondContact NE2-OE1 2.97Å; Q92-E96 PolarHBondContact O-N 2.67Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 2.89Å; E96-A99 WeakPolarHBondContact O-CB 3.45Å; E96-A99 PolarHBondContact O-N 3.16Å; E96-E100 PolarHBondContact O-N 2.82Å
97	L	86.2	Confident	84.6	Confident	14 Å²	14	60.4 Å²	60.4	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-41.9	173.5	177.5	60.2	0	0	0	112.2	L18 R19 E93 L95 A99 E100 L101	L18-L97 HydrophobicContact CD2-CD2 4.27Å; R19-L97 HydrophobicContact CG-CD2 3.89Å; R19-L97 VanDerWaalsContact NH2-CD1 3.26Å; E93-L97 WeakPolarHBondContact O-CB 3.03Å; E93-L97 PolarHBondContact O-N 3.29Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 3.47Å; L97-E100 PolarHBondContact O-N 2.93Å; L97-L101 HydrophobicContact CD1-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CG 4.12Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 HydrophobicContact CG-CG 4.48Å; L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.19Å; L97-L101 PolarHBondContact O-N 3.27Å
98	L	86.7	Confident	84.9	Confident	2 Å²	2	59 Å²	59	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-64.2	-39.5	177.2	-174	64.2	0	0	0	111.6	L22 F65 A68 L69 L72 L90 N94 L95 E96 S102	L22-L98 HydrophobicContact CD1-CD1 4.17Å; F65-L98 HydrophobicContact CD2-CB 4.35Å; F65-L98 HydrophobicContact CD2-CD2 4.09Å; F65-L98 HydrophobicContact CD2-CG 3.86Å; F65-L98 HydrophobicContact CE2-CB 4.07Å; F65-L98 HydrophobicContact CE2-CD2 3.93Å; F65-L98 HydrophobicContact CE2-CG 3.94Å; F65-L98 HydrophobicContact CZ-CD2 4.45Å; A68-L98 HydrophobicContact CB-CD1 3.71Å; A68-L98 HydrophobicContact CB-CD2 4.46Å; L69-L98 HydrophobicContact CB-CD2 4.45Å; L72-L98 HydrophobicContact CD1-CD2 4.48Å; L90-L98 HydrophobicContact CD1-CD2 4.47Å; N94-L98 WeakPolarHBondContact O-CB 3.32Å; N94-L98 PolarHBondContact O-N 3.1Å; L95-L98 PolarHBondContact O-N 3.37Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 2.89Å; L98-S102 VanDerWaalsContact O-CB 3.26Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 2.94Å; L98-S102 PolarHBondContact O-OG 3.38Å
99	A	87.7	Confident	85.1	Confident	7 Å²	7	59.8 Å²	59.8	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-44.8	175.4	0	0	0	0	0	111.4	F65 L95 E96 L97 S102 Q103 C104	F65-A99 HydrophobicContact CD2-CB 4.18Å; F65-A99 HydrophobicContact CE2-CB 3.97Å; L95-A99 WeakPolarHBondContact O-CB 3.46Å; L95-A99 PolarHBondContact O-N 3.19Å; E96-A99 WeakPolarHBondContact O-CB 3.45Å; E96-A99 PolarHBondContact O-N 3.16Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 3.47Å; A99-S102 CarbonylContact O-C 3.47Å; A99-S102 PolarHBondContact O-N 2.8Å; A99-Q103 PolarHBondContact O-N 3.43Å; A99-Q103 VanDerWaalsContact O-N 3.12Å; A99-C104 HydrophobicContact CB-CB 3.91Å; A99-C104 WeakPolarHBondContact O-CB 3.24Å; A99-C104 PolarHBondContact O-N 2.86Å
100	E	87.9	Confident	85.4	Confident	133 Å²	133	61.7 Å²	61.7	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-50.3	175	-172.8	-167.5	165.4	0	0	111.3	E96 L97 S102 Q103	E96-E100 PolarHBondContact O-N 2.82Å; L97-E100 PolarHBondContact O-N 2.93Å; E100-S102 PolarHBondContact O-N 3.28Å; E100-Q103 PolarHBondContact O-N 3Å
101	L	88.6	Confident	85.5	Confident	83 Å²	83	64.1 Å²	64.1	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-30.5	179	-69.6	174.5	0	0	0	112.7	L22 L97 Q103	L22-L101 HydrophobicContact CD1-CD1 3.56Å; L97-L101 HydrophobicContact CD1-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CG 4.12Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 HydrophobicContact CG-CG 4.48Å; L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.19Å; L97-L101 PolarHBondContact O-N 3.27Å; L101-Q103 VanDerWaalsContact C-N 3.25Å
102	S	88.3	Confident	85.5	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.028	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.1	175.7	-54.2	0	0	0	0	113	S61 F65 L98 A99 E100 C104	S61-S102 VanDerWaalsContact CA-O 3.28Å; S61-S102 WeakPolarHBondContact CA-O 3.48Å; S61-S102 WeakPolarHBondContact CB-O 3.49Å; S61-S102 PolarHBondContact OG-O 3.42Å; F65-S102 WeakPolarHBondContact CA-OG 3.24Å; L98-S102 VanDerWaalsContact O-CB 3.26Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 2.94Å; L98-S102 PolarHBondContact O-OG 3.38Å; A99-S102 CarbonylContact O-C 3.47Å; A99-S102 PolarHBondContact O-N 2.8Å; E100-S102 PolarHBondContact O-N 3.28Å; S102-C104 VanDerWaalsContact C-N 3.26Å; S102-C104 PolarHBondContact O-N 2.96Å
103	Q	89.1	Confident	85.7	Confident	156 Å²	156	62.9 Å²	62.9	73%	0.729	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	36.9	-176.1	-53.3	173.4	23.9	0	0	112.5	S61 A99 E100 L101	S61-Q103 VanDerWaalsContact CB-O 3.25Å; S61-Q103 WeakPolarHBondContact CB-O 3.47Å; S61-Q103 PolarHBondContact OG-O 3.45Å; A99-Q103 PolarHBondContact O-N 3.43Å; A99-Q103 VanDerWaalsContact O-N 3.12Å; E100-Q103 PolarHBondContact O-N 3Å; L101-Q103 VanDerWaalsContact C-N 3.25Å
104	C	87.1	Confident	85.2	Confident	12 Å²	12	64 Å²	64	8%	0.081	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.1	172.3	-71.7	0	0	0	0	110.4	A99 S102 T106 C271	A99-C104 HydrophobicContact CB-CB 3.91Å; A99-C104 WeakPolarHBondContact O-CB 3.24Å; A99-C104 PolarHBondContact O-N 2.86Å; S102-C104 VanDerWaalsContact C-N 3.26Å; S102-C104 PolarHBondContact O-N 2.96Å; C104-T106 PolarHBondContact O-N 2.72Å; C104-C271 VanDerWaalsContact CA-SG 3.59Å; C104-C271 HydrophobicContact CB-CB 3.52Å; C104-C271 WeakPolarHBondContact CB-SG 3.5Å; C104-C271 WeakPolarHBondContact SG-CB 3.35Å; C104-C271 CovalentContact SG-SG 2.03Å; C104-C271 PolarHBondContact SG-SG 3.26Å
105	P	85	Confident	84	Confident	65 Å²	65	66.9 Å²	66.9	42%	0.422	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-56.6	133.8	174.2	-25.3	35.6	0	0	0	111.4	I58	I58-P105 HydrophobicContact CB-CG 4.43Å; I58-P105 HydrophobicContact CD1-CG 4.19Å; I58-P105 HydrophobicContact CG1-CG 3.83Å; I58-P105 HydrophobicContact CG2-CG 3.93Å
106	T	83.4	Confident	82.7	Confident	126 Å²	126	67.8 Å²	67.8	77%	0.773	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-78.9	151.9	170.3	54.1	0	0	0	0	110	C104	C104-T106 PolarHBondContact O-N 2.72Å
107	E	82.4	Confident	81.8	Confident	121 Å²	121	66.2 Å²	66.2	57%	0.565	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-60.1	140.8	173.6	-63.9	-171.1	157.4	0	0	110.7	D109 R274	E107-D109 PolarHBondContact O-N 3.03Å; E107-R274 WeakPolarHBondContact OE1-CG 3.34Å; E107-R274 IonicContact OE1-NE 3.1Å
108	T	84.8	Confident	81	Confident	39 Å²	39	68.2 Å²	68.2	24%	0.239	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-73.6	120.2	177.3	-57	0	0	0	0	109.4	V112 V127 P134 D135	T108-V112 HydrophobicContact CG2-CB 4.2Å; T108-V112 HydrophobicContact CG2-CG1 4.43Å; T108-V112 HydrophobicContact CG2-CG2 4.46Å; T108-V127 HydrophobicContact CG2-CG1 3.91Å; T108-P134 HydrophobicContact CG2-CB 3.81Å; T108-P134 HydrophobicContact CG2-CG 4.29Å; T108-D135 VanDerWaalsContact CB-OD1 3.28Å; T108-D135 WeakPolarHBondContact CB-OD1 3.25Å; T108-D135 PolarHBondContact N-OD2 2.91Å; T108-D135 PolarHBondContact OG1-OD1 2.66Å
109	D	85.4	Confident	80.5	Confident	103 Å²	103	72 Å²	72	55%	0.551	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-61.5	126.9	174.9	-173	-30.8	0	0	0	110.2	E107 A111 V112	E107-D109 PolarHBondContact O-N 3.03Å; D109-A111 PolarHBondContact O-N 2.89Å; D109-A111 VanDerWaalsContact OD1-CB 3.28Å; D109-A111 WeakPolarHBondContact OD1-CB 3.39Å; D109-A111 PolarHBondContact OD1-N 2.73Å; D109-V112 HydrophobicContact CB-CG2 4.26Å; D109-V112 VanDerWaalsContact O-CB 3.28Å; D109-V112 WeakPolarHBondContact O-CB 3.33Å; D109-V112 WeakPolarHBondContact O-CG2 3.33Å; D109-V112 PolarHBondContact O-N 2.64Å
110	P	86.9	Confident	80.4	Confident	57 Å²	57	76.6 Å²	76.6	37%	0.37	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-47.7	-32.1	173.8	-31.3	37.7	0	0	0	114.8	V112 C113 P134	P110-V112 PolarHBondContact O-N 3.14Å; P110-C113 WeakPolarHBondContact O-CB 3.37Å; P110-C113 PolarHBondContact O-N 3.26Å; P110-P134 HydrophobicContact CB-CG 4.44Å; P110-P134 HydrophobicContact CG-CG 4.31Å
111	A	85.4	Confident	80.6	Confident	55 Å²	55	70.9 Å²	70.9	46%	0.455	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-60.7	-25.9	177.6	0	0	0	0	0	113	D109 C113 E114	D109-A111 PolarHBondContact O-N 2.89Å; D109-A111 VanDerWaalsContact OD1-CB 3.28Å; D109-A111 WeakPolarHBondContact OD1-CB 3.39Å; D109-A111 PolarHBondContact OD1-N 2.73Å; A111-C113 PolarHBondContact O-N 3.28Å; A111-E114 PolarHBondContact O-N 3.43Å
112	V	83.6	Confident	80.9	Confident	90 Å²	90	68.7 Å²	68.7	55%	0.545	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27	175.7	177.1	0	0	0	0	111.6	T108 D109 P110 E114	T108-V112 HydrophobicContact CG2-CB 4.2Å; T108-V112 HydrophobicContact CG2-CG1 4.43Å; T108-V112 HydrophobicContact CG2-CG2 4.46Å; D109-V112 HydrophobicContact CB-CG2 4.26Å; D109-V112 VanDerWaalsContact O-CB 3.28Å; D109-V112 WeakPolarHBondContact O-CB 3.33Å; D109-V112 WeakPolarHBondContact O-CG2 3.33Å; D109-V112 PolarHBondContact O-N 2.64Å; P110-V112 PolarHBondContact O-N 3.14Å; V112-E114 VanDerWaalsContact C-N 3.33Å
113	C	85.3	Confident	81.1	Confident	4 Å²	4	69 Å²	69	3%	0.027	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-81.6	-12.8	-179.1	-55.4	0	0	0	0	113	P110 A111 S116 C128	P110-C113 WeakPolarHBondContact O-CB 3.37Å; P110-C113 PolarHBondContact O-N 3.26Å; A111-C113 PolarHBondContact O-N 3.28Å; C113-S116 PolarHBondContact O-OG 2.85Å; C113-C128 WeakPolarHBondContact CA-SG 3.36Å; C113-C128 HydrophobicContact CB-CB 3.72Å; C113-C128 WeakPolarHBondContact CB-SG 3.27Å; C113-C128 WeakPolarHBondContact SG-CA 3.48Å; C113-C128 WeakPolarHBondContact SG-CB 3.43Å; C113-C128 CovalentContact SG-SG 2.04Å; C113-C128 PolarHBondContact SG-SG 3.25Å
114	E	72.9	Confident	81.4	Confident	161 Å²	161	62.2 Å²	62.2	75%	0.752	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	124.8	179.4	-60.7	-170.3	168	0	0	111.6	A111 V112 S116	A111-E114 PolarHBondContact O-N 3.43Å; V112-E114 VanDerWaalsContact C-N 3.33Å; E114-S116 VanDerWaalsContact C-N 3.33Å; E114-S116 PolarHBondContact O-N 2.8Å
115	G	59.5	Low	81.7	Confident	65 Å²	65	63 Å²	63	67%	0.67	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	17.3	174.1	0	0	0	0	0	115.8
116	S	58.3	Low	82.2	Confident	26 Å²	26	60.1 Å²	60.1	18%	0.182	34%	0.341	C	S	.	.	S	Bend	trans	-91.5	165.6	-177.7	66.6	0	0	0	0	113.1	C113 E114 H118 D119	C113-S116 PolarHBondContact O-OG 2.85Å; E114-S116 VanDerWaalsContact C-N 3.33Å; E114-S116 PolarHBondContact O-N 2.8Å; S116-H118 PolarHBondContact O-N 3.41Å; S116-H118 VanDerWaalsContact OG-CB 3.27Å; S116-H118 WeakPolarHBondContact OG-CB 3.37Å; S116-H118 PolarHBondContact OG-CD2 2.98Å; S116-H118 PolarHBondContact OG-N 2.74Å; S116-D119 PolarHBondContact O-N 3Å
117	H	64.1	Low	82.7	Confident	67 Å²	67	55.4 Å²	55.4	31%	0.31	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-57.9	-10.6	167.9	-65.9	-87.4	0	0	0	113.4	D119 L730	H117-D119 PolarHBondContact O-N 2.83Å; H117-L730 WeakPolarHBondContact CE1-CB 3.42Å
118	H	69.3	Low	83.3	Confident	57 Å²	57	49.8 Å²	49.8	26%	0.264	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-76.7	3.6	179.3	-50	-51.2	0	0	0	114.3	S116 Y121 S123 C128 R633 F634	S116-H118 PolarHBondContact O-N 3.41Å; S116-H118 VanDerWaalsContact OG-CB 3.27Å; S116-H118 WeakPolarHBondContact OG-CB 3.37Å; S116-H118 PolarHBondContact OG-CD2 2.98Å; S116-H118 PolarHBondContact OG-N 2.74Å; H118-Y121 WeakPolarHBondContact CA-O 3.35Å; H118-S123 VanDerWaalsContact CE1-CB 3.45Å; H118-S123 WeakPolarHBondContact CE1-CB 3.35Å; H118-S123 WeakPolarHBondContact ND1-CB 3.5Å; H118-C128 HydrophobicContact CB-CB 4.16Å; H118-R633 PolarHBondContact O-NH1 3.19Å; H118-R633 PolarHBondContact O-NH2 3.23Å; H118-F634 VanDerWaalsContact O-CZ 3.31Å; H118-F634 WeakPolarHBondContact O-CZ 3.25Å
119	D	75.6	Confident	83.8	Confident	80 Å²	80	48 Å²	48	43%	0.428	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-73.1	-44.9	171.6	-77.1	-23.1	0	0	0	111.7	S116 H117 R131	S116-D119 PolarHBondContact O-N 3Å; H117-D119 PolarHBondContact O-N 2.83Å; D119-R131 IonicContact OD1-CZ 3.82Å; D119-R131 IonicContact OD1-NH2 3.41Å; D119-R131 PolarHBondContact OD1-NH2 3.38Å
120	K	85.1	Confident	84.3	Confident	104 Å²	104	43.2 Å²	43.2	45%	0.452	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-37.6	-175.6	-168.9	-179.9	178.2	-159.1	0	113.6	E400	K120-E400 WeakPolarHBondContact CE-OE1 3.39Å; K120-E400 IonicContact NZ-OE1 3.94Å; K120-E400 PolarHBondContact NZ-OE1 3.25Å
121	Y	92.1	Very high	84.6	Confident	14 Å²	14	46.5 Å²	46.5	6%	0.055	25%	0.254	C	S	.	.	S	Bend	trans	-126.7	152	-174	-53.8	-60.9	0	0	0	111.6	H118 Q399 E400 K403 F634 L719	H118-Y121 WeakPolarHBondContact CA-O 3.35Å; Y121-Q399 HydrophobicContact CD1-CB 3.77Å; Y121-Q399 HydrophobicContact CD2-CB 3.69Å; Y121-Q399 HydrophobicContact CD2-CG 3.83Å; Y121-Q399 HydrophobicContact CE1-CB 3.74Å; Y121-Q399 HydrophobicContact CE2-CB 3.63Å; Y121-Q399 HydrophobicContact CE2-CG 4.06Å; Y121-Q399 HydrophobicContact CG-CB 3.74Å; Y121-Q399 HydrophobicContact CG-CG 4.12Å; Y121-E400 HydrophobicContact CE1-CG 4.25Å; Y121-E400 PolarHBondContact OH-OE1 3.29Å; Y121-K403 HydrophobicContact CD1-CD 4.28Å; Y121-K403 HydrophobicContact CE1-CD 4.36Å; Y121-F634 WeakPolarHBondContact O-CZ 3.17Å; Y121-L719 HydrophobicContact CD2-CD1 3.95Å; Y121-L719 HydrophobicContact CE2-CD1 3.86Å; Y121-L719 HydrophobicContact CE2-CD2 4.02Å
122	R	94.9	Very high	84.9	Confident	36 Å²	36	50 Å²	50	14%	0.136	26%	0.261	C	S	.	.			trans	-61.4	138.9	173.3	-63.9	174.3	-175.4	-84.8	-1.4	110.1	N129 R402 D632 F634	R122-N129 PolarHBondContact NH1-ND2 2.8Å; R122-R402 PolarHBondContact O-NH1 2.94Å; R122-D632 IonicContact CZ-OD1 3.18Å; R122-D632 IonicContact CZ-OD2 3.49Å; R122-D632 IonicContact NH1-OD1 2.7Å; R122-D632 PolarHBondContact NH1-OD1 2.94Å; R122-D632 IonicContact NH1-OD2 2.58Å; R122-D632 PolarHBondContact NH1-OD2 3.23Å; R122-D632 VanDerWaalsContact NH2-CG 3.3Å; R122-D632 IonicContact NH2-OD1 2.75Å; R122-D632 PolarHBondContact NH2-OD1 2.88Å; R122-D632 VanDerWaalsContact NH2-OD1 3.14Å; R122-D632 IonicContact NH2-OD2 3.17Å; R122-D632 PolarHBondContact NH2-OD2 2.93Å; R122-F634 HydrophobicContact CG-CB 3.88Å; R122-F634 HydrophobicContact CG-CD1 4.25Å; R122-F634 HydrophobicContact CG-CD2 3.59Å; R122-F634 HydrophobicContact CG-CE2 4.02Å; R122-F634 HydrophobicContact CG-CG 3.68Å; R122-F634 HydrophobicContact CG-CZ 4.5Å; R122-F634 PolarHBondContact NH2-O 2.89Å
123	S	93.8	Very high	85.4	Confident	11 Å²	11	48.6 Å²	48.6	8%	0.077	25%	0.251	C	S	.	.			trans	-59	161.4	158.6	67.3	0	0	0	0	109.8	H118 G126 V127 R402	H118-S123 VanDerWaalsContact CE1-CB 3.45Å; H118-S123 WeakPolarHBondContact CE1-CB 3.35Å; H118-S123 WeakPolarHBondContact ND1-CB 3.5Å; S123-G126 VanDerWaalsContact OG-C 3.23Å; S123-G126 WeakPolarHBondContact OG-CA 3.3Å; S123-G126 PolarHBondContact OG-N 3.11Å; S123-V127 WeakPolarHBondContact CB-O 2.9Å; S123-V127 PolarHBondContact OG-N 2.97Å; S123-V127 PolarHBondContact OG-O 3.38Å; S123-R402 PolarHBondContact O-NH2 2.82Å
124	I	94.4	Very high	85.8	Confident	14 Å²	14	48.6 Å²	48.6	7%	0.072	25%	0.251	C	S	.	.	S	Bend	trans	-75.9	-31.1	177.9	-167.7	56.2	0	0	0	112.7	G126 G298 H299 P301 Q304	I124-G126 VanDerWaalsContact C-N 3.35Å; I124-G298 WeakPolarHBondContact CD1-O 3.38Å; I124-H299 WeakPolarHBondContact O-CA 2.97Å; I124-P301 HydrophobicContact CG2-CB 4.42Å; I124-P301 HydrophobicContact CG2-CG 3.83Å; I124-Q304 HydrophobicContact CD1-CB 4.17Å; I124-Q304 HydrophobicContact CD1-CG 4.38Å; I124-Q304 VanDerWaalsContact CD1-NE2 3.26Å; I124-Q304 HydrophobicContact CG1-CB 3.87Å; I124-Q304 HydrophobicContact CG1-CG 4.45Å
125	S	93.9	Very high	86.8	Confident	29 Å²	29	42 Å²	42	20%	0.203	22%	0.221	C	C	.	.	S	Bend	trans	-84.3	-8.5	178.1	54	0	0	0	0	113.1	V127 A138 A139 H299	S125-V127 VanDerWaalsContact C-N 3.26Å; S125-V127 PolarHBondContact O-N 3.21Å; S125-V127 WeakPolarHBondContact OG-CG2 3.24Å; S125-A138 CarbonylContact O-C 3.52Å; S125-A138 VanDerWaalsContact O-CA 3.25Å; S125-A138 WeakPolarHBondContact O-CA 3.36Å; S125-A139 PolarHBondContact O-N 2.72Å; S125-H299 WeakPolarHBondContact CA-O 3.35Å
126	G	95.6	Very high	88.6	Confident	4 Å²	4	41.7 Å²	41.7	4%	0.041	20%	0.199	C	C	.	.			trans	83.5	-6.8	-173	0	0	0	0	0	114.7	S123 I124 N129	S123-G126 VanDerWaalsContact OG-C 3.23Å; S123-G126 WeakPolarHBondContact OG-CA 3.3Å; S123-G126 PolarHBondContact OG-N 3.11Å; I124-G126 VanDerWaalsContact C-N 3.35Å; G126-N129 WeakPolarHBondContact O-CB 3.36Å; G126-N129 PolarHBondContact O-N 2.75Å
127	V	94.1	Very high	90.4	Very high	27 Å²	27	40.5 Å²	40.5	16%	0.164	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	145.9	174	176.3	0	0	0	0	111	T108 S123 S125 N129 P134 A138	T108-V127 HydrophobicContact CG2-CG1 3.91Å; S123-V127 WeakPolarHBondContact CB-O 2.9Å; S123-V127 PolarHBondContact OG-N 2.97Å; S123-V127 PolarHBondContact OG-O 3.38Å; S125-V127 VanDerWaalsContact C-N 3.26Å; S125-V127 PolarHBondContact O-N 3.21Å; S125-V127 WeakPolarHBondContact OG-CG2 3.24Å; V127-N129 PolarHBondContact O-N 3.37Å; V127-P134 CarbonylContact C-O 3.47Å; V127-P134 VanDerWaalsContact CA-O 3.29Å; V127-P134 WeakPolarHBondContact CA-O 3.46Å; V127-P134 HydrophobicContact CG1-CB 4.22Å; V127-A138 HydrophobicContact CG2-CB 3.66Å
128	C	94.3	Very high	91.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	15	-177.8	-63.7	0	0	0	0	114.9	C113 H118 P134 R633	C113-C128 WeakPolarHBondContact CA-SG 3.36Å; C113-C128 HydrophobicContact CB-CB 3.72Å; C113-C128 WeakPolarHBondContact CB-SG 3.27Å; C113-C128 WeakPolarHBondContact SG-CA 3.48Å; C113-C128 WeakPolarHBondContact SG-CB 3.43Å; C113-C128 CovalentContact SG-SG 2.04Å; C113-C128 PolarHBondContact SG-SG 3.25Å; H118-C128 HydrophobicContact CB-CB 4.16Å; C128-P134 PolarHBondContact N-O 2.97Å; C128-R633 PolarHBondContact O-NH2 2.92Å
129	N	95.6	Very high	93.1	Very high	3 Å²	3	35 Å²	35	2%	0.016	17%	0.167	C	C	.	.	S	Bend	trans	-60.6	-59	165.3	-171.6	-58.8	0	0	0	109.4	R122 G126 V127 F290 G631 D632 R633	R122-N129 PolarHBondContact NH1-ND2 2.8Å; G126-N129 WeakPolarHBondContact O-CB 3.36Å; G126-N129 PolarHBondContact O-N 2.75Å; V127-N129 PolarHBondContact O-N 3.37Å; N129-F290 HydrophobicContact CB-CE1 3.91Å; N129-F290 HydrophobicContact CB-CE2 3.8Å; N129-F290 HydrophobicContact CB-CZ 3.29Å; N129-F290 WeakPolarHBondContact ND2-CE1 3.36Å; N129-F290 WeakPolarHBondContact ND2-CZ 3.32Å; N129-G631 PolarHBondContact OD1-O 3.43Å; N129-D632 PolarHBondContact ND2-OD1 2.53Å; N129-R633 WeakPolarHBondContact O-CB 2.97Å; N129-R633 WeakPolarHBondContact O-CD 3.41Å; N129-R633 PolarHBondContact O-NE 3.05Å; N129-R633 WeakPolarHBondContact OD1-CB 3.43Å; N129-R633 PolarHBondContact OD1-N 3.2Å
130	N	95.9	Very high	94	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.151	C	C	.	.	S	Bend	trans	-83.1	127.9	167	-169	-55.6	0	0	0	109.2	Q132 N133 P134 W136 P439	N130-Q132 PolarHBondContact OD1-N 3.28Å; N130-N133 WeakPolarHBondContact CB-O 3.39Å; N130-N133 CarbonylContact O-C 3.56Å; N130-N133 PolarHBondContact OD1-N 2.67Å; N130-P134 VanDerWaalsContact O-CA 3.24Å; N130-P134 WeakPolarHBondContact O-CA 3.5Å; N130-W136 HydrophobicContact CB-CB 4.39Å; N130-P439 PolarHBondContact ND2-O 2.92Å
131	R	92.6	Very high	94.3	Very high	126 Å²	126	27.8 Å²	27.8	48%	0.475	13%	0.134	S	C	.	.	S	Bend	trans	-80.9	-25.7	-177.8	-72.6	-177.9	172.3	164.1	-4.5	113.5	D119	D119-R131 IonicContact OD1-CZ 3.82Å; D119-R131 IonicContact OD1-NH2 3.41Å; D119-R131 PolarHBondContact OD1-NH2 3.38Å
132	Q	92.9	Very high	94.4	Very high	129 Å²	129	28.2 Å²	28.2	60%	0.603	14%	0.141	S	C	*	.	S	Bend	trans	-87.1	-32.5	-179.8	-64.6	177.7	10.5	0	0	111.5	N130	N130-Q132 PolarHBondContact OD1-N 3.28Å
133	N	93.9	Very high	94.5	Very high	60 Å²	60	26.7 Å²	26.7	32%	0.321	14%	0.135	S	C	.	.	S	Bend	trans	-127.4	77.4	178.3	-60.1	-79.9	0	0	0	109.5	N130 D135 W136	N130-N133 WeakPolarHBondContact CB-O 3.39Å; N130-N133 CarbonylContact O-C 3.56Å; N130-N133 PolarHBondContact OD1-N 2.67Å; N133-D135 PolarHBondContact O-N 3.13Å; N133-W136 HydrophobicContact CB-CB 4.44Å; N133-W136 HydrophobicContact CB-CD2 3.43Å; N133-W136 VanDerWaalsContact CB-CD2 3.43Å; N133-W136 VanDerWaalsContact CB-CE2 3.47Å; N133-W136 HydrophobicContact CB-CE3 3.97Å; N133-W136 HydrophobicContact CB-CG 3.63Å; N133-W136 HydrophobicContact CB-CZ2 4.04Å; N133-W136 HydrophobicContact CB-CZ3 4.48Å; N133-W136 PolarHBondContact O-N 2.96Å
134	P	93.7	Very high	94.5	Very high	5 Å²	5	28 Å²	28	3%	0.032	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	-167.3	-26.9	36.1	0	0	0	115.9	T108 P110 V127 C128 N130	T108-P134 HydrophobicContact CG2-CB 3.81Å; T108-P134 HydrophobicContact CG2-CG 4.29Å; P110-P134 HydrophobicContact CB-CG 4.44Å; P110-P134 HydrophobicContact CG-CG 4.31Å; V127-P134 CarbonylContact C-O 3.47Å; V127-P134 VanDerWaalsContact CA-O 3.29Å; V127-P134 WeakPolarHBondContact CA-O 3.46Å; V127-P134 HydrophobicContact CG1-CB 4.22Å; C128-P134 PolarHBondContact N-O 2.97Å; N130-P134 VanDerWaalsContact O-CA 3.24Å; N130-P134 WeakPolarHBondContact O-CA 3.5Å
135	D	93.5	Very high	94.6	Very high	21 Å²	21	29.8 Å²	29.8	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.7	-178.2	-61.9	-29.8	0	0	0	114	T108 N133 G137 A138 T141 R274	T108-D135 VanDerWaalsContact CB-OD1 3.28Å; T108-D135 WeakPolarHBondContact CB-OD1 3.25Å; T108-D135 PolarHBondContact N-OD2 2.91Å; T108-D135 PolarHBondContact OG1-OD1 2.66Å; N133-D135 PolarHBondContact O-N 3.13Å; D135-G137 PolarHBondContact O-N 2.68Å; D135-A138 WeakPolarHBondContact O-CB 3.45Å; D135-A138 PolarHBondContact O-N 3.22Å; D135-T141 HydrophobicContact CB-CG2 4.23Å; D135-R274 IonicContact OD2-NH2 3.66Å; D135-R274 PolarHBondContact OD2-NH2 3.08Å
136	W	96.5	Very high	94.7	Very high	60 Å²	60	31 Å²	31	23%	0.227	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	120	177.2	-76	3.5	0	0	0	110.8	N130 N133 A138 F290 D442	N130-W136 HydrophobicContact CB-CB 4.39Å; N133-W136 HydrophobicContact CB-CB 4.44Å; N133-W136 HydrophobicContact CB-CD2 3.43Å; N133-W136 VanDerWaalsContact CB-CD2 3.43Å; N133-W136 VanDerWaalsContact CB-CE2 3.47Å; N133-W136 HydrophobicContact CB-CE3 3.97Å; N133-W136 HydrophobicContact CB-CG 3.63Å; N133-W136 HydrophobicContact CB-CZ2 4.04Å; N133-W136 HydrophobicContact CB-CZ3 4.48Å; N133-W136 PolarHBondContact O-N 2.96Å; W136-A138 PolarHBondContact O-N 3.17Å; W136-F290 WeakPolarHBondContact O-CZ 3.34Å; W136-D442 HydrophobicContact CD2-CB 3.81Å; W136-D442 VanDerWaalsContact CE3-CA 3.45Å; W136-D442 HydrophobicContact CE3-CB 3.8Å; W136-D442 HydrophobicContact CG-CB 4.37Å; W136-D442 HydrophobicContact CH2-CB 4.28Å; W136-D442 HydrophobicContact CZ2-CB 4.3Å; W136-D442 HydrophobicContact CZ3-CB 4.04Å
137	G	96.3	Very high	94.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	3	-175	0	0	0	0	0	115.3	D135 S288 S289 F290 S444	D135-G137 PolarHBondContact O-N 2.68Å; G137-S288 WeakPolarHBondContact O-CA 3.24Å; G137-S289 PolarHBondContact O-N 2.95Å; G137-F290 WeakPolarHBondContact O-CE2 3.23Å; G137-S444 PolarHBondContact N-OG 3.12Å
138	A	96.4	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.			trans	-73.7	151.2	179.7	0	0	0	0	0	112.7	S125 V127 D135 W136 T141	S125-A138 CarbonylContact O-C 3.52Å; S125-A138 VanDerWaalsContact O-CA 3.25Å; S125-A138 WeakPolarHBondContact O-CA 3.36Å; V127-A138 HydrophobicContact CG2-CB 3.66Å; D135-A138 WeakPolarHBondContact O-CB 3.45Å; D135-A138 PolarHBondContact O-N 3.22Å; W136-A138 PolarHBondContact O-N 3.17Å; A138-T141 HydrophobicContact CB-CG2 3.99Å; A138-T141 WeakPolarHBondContact O-CB 3.43Å; A138-T141 WeakPolarHBondContact O-CG2 3.05Å; A138-T141 PolarHBondContact O-OG1 3.15Å
139	A	95.3	Very high	94.8	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	149.3	173.7	0	0	0	0	0	112	S125 T141 A286 V287 H299	S125-A139 PolarHBondContact O-N 2.72Å; A139-T141 VanDerWaalsContact C-N 3.26Å; A139-T141 PolarHBondContact O-N 2.93Å; A139-A286 WeakPolarHBondContact CB-O 3.25Å; A139-V287 WeakPolarHBondContact CA-O 3.31Å; A139-H299 HydrophobicContact CB-CB 4.05Å
140	N	93.4	Very high	94.8	Very high	16 Å²	16	39.5 Å²	39.5	9%	0.086	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	37.6	-176.3	-53.2	-68.6	0	0	0	113.2	T55 I58 L284 N285	T55-N140 WeakPolarHBondContact CB-OD1 3.13Å; T55-N140 WeakPolarHBondContact CG2-OD1 3.31Å; T55-N140 PolarHBondContact OG1-ND2 3.37Å; T55-N140 PolarHBondContact OG1-OD1 3.2Å; I58-N140 HydrophobicContact CD1-CB 3.47Å; I58-N140 VanDerWaalsContact CD1-CB 3.47Å; I58-N140 HydrophobicContact CG2-CB 4.21Å; N140-L284 VanDerWaalsContact C-CD1 3.41Å; N140-L284 WeakPolarHBondContact O-CD1 3.48Å; N140-N285 WeakPolarHBondContact CA-O 3.14Å; N140-N285 PolarHBondContact N-O 2.93Å
141	T	92.5	Very high	94.8	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	164.9	170.9	66.7	0	0	0	0	110.8	D135 A138 A139 N285	D135-T141 HydrophobicContact CB-CG2 4.23Å; A138-T141 HydrophobicContact CB-CG2 3.99Å; A138-T141 WeakPolarHBondContact O-CB 3.43Å; A138-T141 WeakPolarHBondContact O-CG2 3.05Å; A138-T141 PolarHBondContact O-OG1 3.15Å; A139-T141 VanDerWaalsContact C-N 3.26Å; A139-T141 PolarHBondContact O-N 2.93Å; T141-N285 PolarHBondContact N-O 3.38Å; T141-N285 PolarHBondContact O-N 3.15Å
142	A	93.6	Very high	94.7	Very high	24 Å²	24	34.5 Å²	34.5	20%	0.198	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.6	179.5	0	0	0	0	0	111.8	A270 Q282 Q283	A142-A270 HydrophobicContact CB-CB 3.74Å; A142-Q282 HydrophobicContact CB-CB 4.01Å; A142-Q283 WeakPolarHBondContact CA-O 3.45Å
143	L	95.8	Very high	94.5	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-61.1	135.7	166.5	-70.5	165.7	0	0	0	110.1	Q283 N285 A445 N447 A450	L143-Q283 HydrophobicContact CD1-CB 4.29Å; L143-Q283 PolarHBondContact N-O 3.4Å; L143-N285 HydrophobicContact CD2-CB 3.81Å; L143-N285 HydrophobicContact CG-CB 4.12Å; L143-A445 WeakPolarHBondContact CA-O 3.41Å; L143-A445 HydrophobicContact CD2-CB 3.98Å; L143-A445 WeakPolarHBondContact CD2-O 3.22Å; L143-N447 HydrophobicContact CB-CB 3.97Å; L143-N447 HydrophobicContact CD1-CB 4.43Å; L143-A450 HydrophobicContact CD1-CB 4.14Å; L143-A450 HydrophobicContact CD2-CB 3.94Å
144	V	95.2	Very high	94.2	Very high	38 Å²	38	29.5 Å²	29.5	23%	0.23	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-75.5	147.9	-178.4	73	0	0	0	0	111.8	A445 S446 N447	V144-A445 PolarHBondContact N-O 3.47Å; V144-S446 CarbonylContact O-C 3.48Å; V144-S446 VanDerWaalsContact O-CA 3.28Å; V144-S446 WeakPolarHBondContact O-CA 3.26Å; V144-N447 PolarHBondContact O-N 2.91Å
145	R	94.8	Very high	93.9	Very high	52 Å²	52	30.1 Å²	30.1	20%	0.196	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-102.8	119.9	178	-70.3	-72.7	-178.7	175.9	0.4	110.4	R281 Q283 N447 H550 G551	R145-R281 PolarHBondContact NH2-O 3Å; R145-Q283 VanDerWaalsContact NH2-OE1 3.1Å; R145-N447 PolarHBondContact NH2-ND2 2.71Å; R145-H550 PolarHBondContact NH1-O 3.33Å; R145-H550 PolarHBondContact NH2-O 2.9Å; R145-G551 PolarHBondContact NH1-O 2.98Å
146	W	97.2	Very high	93.6	Very high	53 Å²	53	29.9 Å²	29.9	20%	0.201	16%	0.164	C	C	.	.	S	Bend	trans	-88.9	-22.5	169.7	-64.6	-11.3	0	0	0	113.1	S446 V448 W558 F561 L620 K623 Q624 L627	W146-S446 VanDerWaalsContact CE2-CB 3.43Å; W146-S446 WeakPolarHBondContact CZ2-OG 3.47Å; W146-V448 HydrophobicContact CE3-CG1 3.88Å; W146-V448 HydrophobicContact CZ3-CG1 4.13Å; W146-W558 HydrophobicContact CB-CH2 4.15Å; W146-W558 HydrophobicContact CB-CZ3 4.07Å; W146-W558 HydrophobicContact CE3-CZ3 4.3Å; W146-F561 HydrophobicContact CB-CE2 3.93Å; W146-F561 HydrophobicContact CB-CZ 3.96Å; W146-F561 HydrophobicContact CD2-CE1 4.48Å; W146-F561 HydrophobicContact CD2-CZ 4.01Å; W146-F561 AromaticContact CE3-CE1 3.63Å; W146-F561 HydrophobicContact CE3-CE1 3.63Å; W146-F561 AromaticContact CE3-CZ 3.61Å; W146-F561 HydrophobicContact CE3-CZ 3.61Å; W146-F561 HydrophobicContact CG-CZ 4.2Å; W146-F561 HydrophobicContact CZ3-CE1 4.14Å; W146-F561 HydrophobicContact CZ3-CZ 4.41Å; W146-L620 HydrophobicContact CE3-CD2 4.18Å; W146-L620 HydrophobicContact CZ3-CD2 3.91Å; W146-K623 HydrophobicContact CH2-CB 3.85Å; W146-K623 HydrophobicContact CZ3-CB 4.14Å; W146-Q624 HydrophobicContact CH2-CB 3.94Å; W146-Q624 HydrophobicContact CZ2-CB 4.3Å; W146-L627 HydrophobicContact CZ2-CD1 3.66Å
147	L	96.9	Very high	93.4	Very high	39 Å²	39	29.9 Å²	29.9	20%	0.204	17%	0.167	C	C	.	.	S	Bend	trans	-129.4	150.2	168.8	-67.2	179	0	0	0	108.3	P553 D557 W558 F561	L147-P553 HydrophobicContact CB-CG 3.94Å; L147-P553 HydrophobicContact CD1-CB 4.36Å; L147-P553 HydrophobicContact CD1-CG 4.22Å; L147-D557 HydrophobicContact CD1-CB 4.18Å; L147-W558 HydrophobicContact CB-CH2 3.97Å; L147-W558 HydrophobicContact CB-CZ2 4.18Å; L147-W558 HydrophobicContact CB-CZ3 4.45Å; L147-W558 HydrophobicContact CD1-CD2 3.78Å; L147-W558 HydrophobicContact CD1-CE3 3.72Å; L147-W558 HydrophobicContact CD1-CG 4.42Å; L147-W558 HydrophobicContact CD1-CH2 3.96Å; L147-W558 HydrophobicContact CD1-CZ2 4.01Å; L147-W558 HydrophobicContact CD1-CZ3 3.81Å; L147-W558 HydrophobicContact CG-CE3 4.27Å; L147-W558 HydrophobicContact CG-CH2 3.88Å; L147-W558 HydrophobicContact CG-CZ2 4.31Å; L147-W558 HydrophobicContact CG-CZ3 3.85Å; L147-F561 HydrophobicContact CD1-CB 4.31Å; L147-F561 HydrophobicContact CD2-CD2 4.11Å; L147-F561 HydrophobicContact CG-CD2 4.37Å
148	P	94.6	Very high	93.4	Very high	101 Å²	101	29.9 Å²	29.9	66%	0.656	17%	0.167	S	C	*	.			trans	-52.4	150.9	172.3	-25.6	35.3	0	0	0	112.2	P553	P148-P553 WeakPolarHBondContact O-CG 3.33Å
149	A	94.9	Very high	93.3	Very high	7 Å²	7	30.2 Å²	30.2	6%	0.058	17%	0.168	C	C	.	.			trans	-76.7	144.8	178	0	0	0	0	0	110.9	Y151 Q280 G551	A149-Y151 HydrophobicContact CB-CD2 3.95Å; A149-Y151 HydrophobicContact CB-CE2 3.64Å; A149-Q280 HydrophobicContact CB-CB 4.46Å; A149-Q280 PolarHBondContact O-NE2 3.04Å; A149-Q280 PolarHBondContact O-OE1 3.14Å; A149-G551 WeakPolarHBondContact CA-O 3.47Å
150	E	95.6	Very high	93.2	Very high	69 Å²	69	30.9 Å²	30.9	32%	0.322	18%	0.176	S	C	.	.			trans	-111.2	94.4	176.3	-72.2	-177.6	-172.9	0	0	110.5	R159 G551 P553	E150-R159 WeakPolarHBondContact O-CG 3.46Å; E150-G551 PolarHBondContact N-O 3.11Å; E150-G551 WeakPolarHBondContact O-CA 3.41Å; E150-P553 HydrophobicContact CG-CB 4.41Å; E150-P553 HydrophobicContact CG-CG 4.24Å; E150-P553 WeakPolarHBondContact OE2-CA 3.4Å
151	Y	94.6	Very high	93.2	Very high	14 Å²	14	32.1 Å²	32.1	6%	0.055	18%	0.18	C	C	.	.			trans	-105.6	154.5	171.2	-66.9	-66.7	0	0	0	110.2	A149 G154 E155 E157 Q280 R281 Q283 D549	A149-Y151 HydrophobicContact CB-CD2 3.95Å; A149-Y151 HydrophobicContact CB-CE2 3.64Å; Y151-G154 PolarHBondContact O-N 3.46Å; Y151-G154 VanDerWaalsContact O-N 3.14Å; Y151-E155 VanDerWaalsContact CD2-C 3.48Å; Y151-E155 WeakPolarHBondContact CD2-O 3.47Å; Y151-E155 WeakPolarHBondContact CE2-O 3.42Å; Y151-E157 CarbonylContact C-O 3.33Å; Y151-E157 WeakPolarHBondContact CA-O 3.34Å; Y151-E157 VanDerWaalsContact CB-O 3.29Å; Y151-E157 WeakPolarHBondContact CB-O 3.38Å; Y151-E157 WeakPolarHBondContact CD1-O 3.36Å; Y151-Q280 HydrophobicContact CD2-CB 4.38Å; Y151-Q280 HydrophobicContact CE2-CB 4.33Å; Y151-R281 HydrophobicContact CE2-CB 4.04Å; Y151-R281 WeakPolarHBondContact CE2-O 3.04Å; Y151-R281 PolarHBondContact OH-O 2.85Å; Y151-Q283 PolarHBondContact OH-NE2 2.97Å; Y151-D549 WeakPolarHBondContact CE1-O 3.37Å
152	E	92.1	Very high	93.2	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.033	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-47.4	-179.8	-69.2	-167.9	157.5	0	0	111.5	G154 E157 P158 G160 W161 D162 R165 H167	E152-G154 PolarHBondContact O-N 2.89Å; E152-E157 HydrophobicContact CB-CB 4.31Å; E152-E157 PolarHBondContact N-O 3.43Å; E152-P158 VanDerWaalsContact CD-O 3.31Å; E152-P158 WeakPolarHBondContact CG-O 3.28Å; E152-G160 WeakPolarHBondContact OE1-CA 3.21Å; E152-G160 PolarHBondContact OE1-N 3.34Å; E152-W161 PolarHBondContact OE2-N 2.98Å; E152-D162 PolarHBondContact OE2-N 2.99Å; E152-R165 VanDerWaalsContact C-NH1 3.26Å; E152-R165 PolarHBondContact O-NH1 3.06Å; E152-R165 PolarHBondContact O-NH2 3.46Å; E152-H167 IonicContact OE1-CE1 3.76Å; E152-H167 PolarHBondContact OE1-CE1 2.83Å; E152-H167 IonicContact OE1-NE2 2.69Å; E152-H167 PolarHBondContact OE1-NE2 3.12Å
153	D	87.6	Confident	92.8	Very high	50 Å²	50	37.8 Å²	37.8	27%	0.267	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.2	175.3	69.9	-17.7	0	0	0	113.3	K73 E155 E156 E157	K73-D153 IonicContact NZ-OD2 3.97Å; D153-E155 PolarHBondContact O-N 3.33Å; D153-E155 PolarHBondContact OD1-N 2.93Å; D153-E156 PolarHBondContact OD1-N 2.97Å; D153-E157 HydrophobicContact CB-CB 4.11Å; D153-E157 HydrophobicContact CB-CG 4.17Å; D153-E157 PolarHBondContact OD1-N 2.85Å
154	G	88.1	Confident	92.5	Very high	35 Å²	35	44.2 Å²	44.2	36%	0.361	24%	0.241	S	C	.	.	S	Bend	trans	78.6	-2.4	-175.3	0	0	0	0	0	114.4	Y151 E152 Q280	Y151-G154 PolarHBondContact O-N 3.46Å; Y151-G154 VanDerWaalsContact O-N 3.14Å; E152-G154 PolarHBondContact O-N 2.89Å; G154-Q280 WeakPolarHBondContact O-CG 3.36Å; G154-Q280 PolarHBondContact O-NE2 2.92Å
155	E	86.8	Confident	92.4	Very high	17 Å²	17	47.5 Å²	47.5	8%	0.079	25%	0.249	C	C	.	.	S	Bend	trans	-125.4	-56.3	-175.3	-67.1	-171	149.2	0	0	113.1	K73 T85 A86 Y151 D153 Q280 R281	K73-E155 WeakPolarHBondContact CE-OE2 3.22Å; K73-E155 IonicContact NZ-OE2 2.66Å; K73-E155 PolarHBondContact NZ-OE2 3.36Å; T85-E155 WeakPolarHBondContact CA-OE1 3.44Å; T85-E155 WeakPolarHBondContact CB-OE1 3.33Å; A86-E155 PolarHBondContact N-OE1 2.63Å; Y151-E155 VanDerWaalsContact CD2-C 3.48Å; Y151-E155 WeakPolarHBondContact CD2-O 3.47Å; Y151-E155 WeakPolarHBondContact CE2-O 3.42Å; D153-E155 PolarHBondContact O-N 3.33Å; D153-E155 PolarHBondContact OD1-N 2.93Å; E155-Q280 CarbonylContact O-C 3.42Å; E155-Q280 WeakPolarHBondContact O-CA 3.49Å; E155-R281 PolarHBondContact O-N 2.99Å
156	E	88.5	Confident	92.4	Very high	16 Å²	16	50 Å²	50	8%	0.075	27%	0.266	C	S	.	.	S	Bend	trans	-149.9	-14.1	-172.7	70.8	170.7	139.1	0	0	116.5	Q70 D153 P158 R266 R281	Q70-E156 PolarHBondContact OE1-OE1 3.45Å; D153-E156 PolarHBondContact OD1-N 2.97Å; E156-P158 VanDerWaalsContact O-CD 3.29Å; E156-P158 WeakPolarHBondContact O-CD 3.38Å; E156-R266 VanDerWaalsContact O-CZ 3.27Å; E156-R266 PolarHBondContact O-NH1 2.89Å; E156-R266 PolarHBondContact O-NH2 3.13Å; E156-R281 HydrophobicContact CB-CB 3.8Å; E156-R281 IonicContact OE2-NH1 2.63Å
157	E	92.5	Very high	92.3	Very high	61 Å²	61	48.6 Å²	48.6	29%	0.285	26%	0.261	S	S	.	.			trans	-74.1	115.9	180	-73.5	-176.5	170.8	0	0	110.1	Y151 E152 D153 W161	Y151-E157 CarbonylContact C-O 3.33Å; Y151-E157 WeakPolarHBondContact CA-O 3.34Å; Y151-E157 VanDerWaalsContact CB-O 3.29Å; Y151-E157 WeakPolarHBondContact CB-O 3.38Å; Y151-E157 WeakPolarHBondContact CD1-O 3.36Å; E152-E157 HydrophobicContact CB-CB 4.31Å; E152-E157 PolarHBondContact N-O 3.43Å; D153-E157 HydrophobicContact CB-CB 4.11Å; D153-E157 HydrophobicContact CB-CG 4.17Å; D153-E157 PolarHBondContact OD1-N 2.85Å; E157-W161 HydrophobicContact CB-CB 4.44Å; E157-W161 HydrophobicContact CB-CG 4.33Å
158	P	95.4	Very high	92.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.			trans	-56.4	153.7	-178.7	-27.5	37.2	0	0	0	113.6	E152 E156 G160 W161 F238 R548	E152-P158 VanDerWaalsContact CD-O 3.31Å; E152-P158 WeakPolarHBondContact CG-O 3.28Å; E156-P158 VanDerWaalsContact O-CD 3.29Å; E156-P158 WeakPolarHBondContact O-CD 3.38Å; P158-G160 PolarHBondContact O-N 3.48Å; P158-W161 HydrophobicContact CG-CE3 4.11Å; P158-W161 WeakPolarHBondContact O-CB 3.39Å; P158-W161 PolarHBondContact O-N 3.31Å; P158-F238 HydrophobicContact CB-CD1 3.97Å; P158-F238 HydrophobicContact CB-CE1 3.47Å; P158-F238 VanDerWaalsContact CB-CE1 3.47Å; P158-F238 HydrophobicContact CB-CZ 3.82Å; P158-F238 HydrophobicContact CG-CD1 3.98Å; P158-F238 HydrophobicContact CG-CE1 4.02Å; P158-F238 HydrophobicContact CG-CG 4.45Å; P158-R548 WeakPolarHBondContact CB-O 3.12Å
159	R	94.4	Very high	92.2	Very high	6 Å²	6	50 Å²	50	2%	0.023	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	130.8	168	-67.1	178.5	62.4	-154.4	0.1	110.8	E150 L172 R548	E150-R159 WeakPolarHBondContact O-CG 3.46Å; R159-L172 HydrophobicContact CB-CD1 3.75Å; R159-R548 HydrophobicContact CB-CB 4.26Å; R159-R548 HydrophobicContact CB-CG 4.24Å; R159-R548 WeakPolarHBondContact O-CB 3.31Å; R159-R548 WeakPolarHBondContact O-CD 3.36Å
160	G	92.1	Very high	92.2	Very high	25 Å²	25	50.5 Å²	50.5	26%	0.258	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	14.8	-172.9	0	0	0	0	0	114.4	E152 P158	E152-G160 WeakPolarHBondContact OE1-CA 3.21Å; E152-G160 PolarHBondContact OE1-N 3.34Å; P158-G160 PolarHBondContact O-N 3.48Å
161	W	93.8	Very high	92.2	Very high	41 Å²	41	51.9 Å²	51.9	16%	0.155	28%	0.284	C	S	.	.	S	Bend	trans	-71	-49.8	174.5	-176.5	-93.2	0	0	0	111.4	E152 E157 P158 P163 N233 F238	E152-W161 PolarHBondContact OE2-N 2.98Å; E157-W161 HydrophobicContact CB-CB 4.44Å; E157-W161 HydrophobicContact CB-CG 4.33Å; P158-W161 HydrophobicContact CG-CE3 4.11Å; P158-W161 WeakPolarHBondContact O-CB 3.39Å; P158-W161 PolarHBondContact O-N 3.31Å; W161-P163 WeakPolarHBondContact O-CD 3.22Å; W161-N233 HydrophobicContact CD2-CB 3.92Å; W161-N233 HydrophobicContact CE3-CB 4.02Å; W161-N233 HydrophobicContact CH2-CB 4.06Å; W161-N233 VanDerWaalsContact CZ2-C 3.45Å; W161-N233 HydrophobicContact CZ2-CB 3.94Å; W161-N233 WeakPolarHBondContact CZ2-O 3.41Å; W161-N233 HydrophobicContact CZ3-CB 4.1Å; W161-N233 PolarHBondContact O-ND2 2.81Å; W161-F238 HydrophobicContact CE3-CB 4.45Å; W161-F238 AromaticContact CE3-CD2 3.64Å; W161-F238 HydrophobicContact CE3-CD2 3.64Å; W161-F238 HydrophobicContact CE3-CE2 4.09Å; W161-F238 HydrophobicContact CE3-CG 4.11Å; W161-F238 HydrophobicContact CZ3-CB 3.97Å; W161-F238 AromaticContact CZ3-CD2 3.96Å; W161-F238 HydrophobicContact CZ3-CD2 3.96Å; W161-F238 HydrophobicContact CZ3-CG 4.14Å
162	D	91.8	Very high	92.3	Very high	72 Å²	72	52.3 Å²	52.3	39%	0.385	29%	0.287	S	S	.	.	S	Bend	trans	-87.3	112.6	167.5	178.6	1.5	0	0	0	110	E152 Q164 R165	E152-D162 PolarHBondContact OE2-N 2.99Å; D162-Q164 PolarHBondContact O-N 3.49Å; D162-Q164 VanDerWaalsContact O-N 3.13Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.41Å; D162-Q164 PolarHBondContact OD1-N 3.46Å; D162-R165 HydrophobicContact CB-CB 4.01Å; D162-R165 WeakPolarHBondContact O-CB 3.26Å; D162-R165 PolarHBondContact O-N 3.36Å
163	P	85.7	Confident	92.4	Very high	87 Å²	87	52.4 Å²	52.4	57%	0.565	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17.8	-179	28.3	-35.7	0	0	0	113.4	W161 Q171	W161-P163 WeakPolarHBondContact O-CD 3.22Å; P163-Q171 VanDerWaalsContact O-CD 3.28Å; P163-Q171 PolarHBondContact O-NE2 3.14Å
164	Q	89.6	Confident	92.8	Very high	138 Å²	138	53.1 Å²	53.1	65%	0.645	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-11	177.7	-59	-55.8	-37.2	0	0	112.9	D162 L166	D162-Q164 PolarHBondContact O-N 3.49Å; D162-Q164 VanDerWaalsContact O-N 3.13Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.41Å; D162-Q164 PolarHBondContact OD1-N 3.46Å; Q164-L166 PolarHBondContact O-N 3.23Å
165	R	93.2	Very high	93.2	Very high	108 Å²	108	51.6 Å²	51.6	41%	0.408	28%	0.276	S	S	.	.			trans	-72.7	129.2	-176.7	-173.3	158.7	-176.3	154.5	-6.9	111.8	E152 D162	E152-R165 VanDerWaalsContact C-NH1 3.26Å; E152-R165 PolarHBondContact O-NH1 3.06Å; E152-R165 PolarHBondContact O-NH2 3.46Å; D162-R165 HydrophobicContact CB-CB 4.01Å; D162-R165 WeakPolarHBondContact O-CB 3.26Å; D162-R165 PolarHBondContact O-N 3.36Å
166	L	95.4	Very high	93.5	Very high	104 Å²	104	51.8 Å²	51.8	55%	0.545	28%	0.275	S	S	.	.			trans	-90.3	133	175.4	-55.7	-177.4	0	0	0	110.3	Q164 Q171	Q164-L166 PolarHBondContact O-N 3.23Å; L166-Q171 HydrophobicContact CD2-CG 3.9Å
167	H	94.7	Very high	93.8	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.111	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-112.5	118	171.9	-64.1	-100.3	0	0	0	106.9	E152 G169 S170 L172 N595	E152-H167 IonicContact OE1-CE1 3.76Å; E152-H167 PolarHBondContact OE1-CE1 2.83Å; E152-H167 IonicContact OE1-NE2 2.69Å; E152-H167 PolarHBondContact OE1-NE2 3.12Å; H167-G169 PolarHBondContact O-N 2.78Å; H167-G169 VanDerWaalsContact O-N 3.11Å; H167-S170 PolarHBondContact N-O 3.12Å; H167-S170 PolarHBondContact O-N 3.18Å; H167-S170 VanDerWaalsContact O-N 3.09Å; H167-S170 PolarHBondContact O-OG 3.48Å; H167-L172 HydrophobicContact CB-CD2 3.97Å; H167-L172 HydrophobicContact CB-CG 4.15Å; H167-N595 VanDerWaalsContact CB-OD1 3.3Å; H167-N595 WeakPolarHBondContact CB-OD1 3.48Å; H167-N595 PolarHBondContact O-ND2 3.21Å; H167-N595 PolarHBondContact O-OD1 3.1Å
168	H	94.8	Very high	94	Very high	108 Å²	108	51.9 Å²	51.9	50%	0.5	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	37.7	-173.7	-61.6	-95.8	0	0	0	114	H592 D594 N595	H168-H592 HydrophobicContact CB-CB 4Å; H168-H592 AromaticContact CG-ND1 3.92Å; H168-D594 IonicContact CE1-OD2 2.82Å; H168-D594 IonicContact ND1-OD2 3.37Å; H168-N595 PolarHBondContact CD2-OD1 3Å; H168-N595 VanDerWaalsContact CD2-OD1 3.23Å
169	G	94.8	Very high	94	Very high	62 Å²	62	51.9 Å²	51.9	64%	0.639	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	1.7	177.5	0	0	0	0	0	116.1	H167	H167-G169 PolarHBondContact O-N 2.78Å; H167-G169 VanDerWaalsContact O-N 3.11Å
170	S	95.3	Very high	93.9	Very high	16 Å²	16	54 Å²	54	11%	0.112	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-140	155.5	180	59.3	0	0	0	0	113.2	H167 Y590 N595	H167-S170 PolarHBondContact N-O 3.12Å; H167-S170 PolarHBondContact O-N 3.18Å; H167-S170 VanDerWaalsContact O-N 3.09Å; H167-S170 PolarHBondContact O-OG 3.48Å; S170-Y590 PolarHBondContact OG-O 2.92Å; S170-N595 PolarHBondContact OG-ND2 3.43Å
171	Q	94.8	Very high	94	Very high	98 Å²	98	55.5 Å²	55.5	46%	0.458	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-69.4	146.8	169.6	-69	173.7	-16.6	0	0	110.7	P163 L166	P163-Q171 VanDerWaalsContact O-CD 3.28Å; P163-Q171 PolarHBondContact O-NE2 3.14Å; L166-Q171 HydrophobicContact CD2-CG 3.9Å
172	L	96.1	Very high	94	Very high	23 Å²	23	54 Å²	54	12%	0.12	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-72.6	142.1	174.1	-65.4	175.7	0	0	0	110.7	R159 H167 N595	R159-L172 HydrophobicContact CB-CD1 3.75Å; H167-L172 HydrophobicContact CB-CD2 3.97Å; H167-L172 HydrophobicContact CB-CG 4.15Å; L172-N595 HydrophobicContact CD2-CB 3.76Å
173	P	95.8	Very high	94.3	Very high	10 Å²	10	50.5 Å²	50.5	7%	0.065	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.8	149.9	178.5	28.9	-34.7	0	0	0	111.2	V178 R548 L589 Y590	P173-V178 HydrophobicContact CB-CG2 3.75Å; P173-V178 HydrophobicContact CG-CG2 3.67Å; P173-R548 PolarHBondContact O-NH1 2.86Å; P173-R548 PolarHBondContact O-NH2 2.9Å; P173-L589 HydrophobicContact CB-CB 4.24Å; P173-L589 HydrophobicContact CG-CB 4.45Å; P173-Y590 HydrophobicContact CG-CD1 3.63Å; P173-Y590 HydrophobicContact CG-CD2 3.98Å; P173-Y590 HydrophobicContact CG-CE1 3.56Å; P173-Y590 HydrophobicContact CG-CE2 3.89Å; P173-Y590 HydrophobicContact CG-CG 3.87Å
174	L	94.8	Very high	94.7	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.335	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-62.3	130	172.7	-62.1	-176.8	0	0	0	110	R176 R177 V178 Q241	L174-R176 PolarHBondContact O-N 3.31Å; L174-R176 VanDerWaalsContact O-N 3.17Å; L174-R177 HydrophobicContact CB-CB 4.16Å; L174-R177 WeakPolarHBondContact O-CB 3.39Å; L174-R177 PolarHBondContact O-N 3.08Å; L174-V178 PolarHBondContact O-N 3.27Å; L174-V178 VanDerWaalsContact O-N 3.16Å; L174-Q241 HydrophobicContact CD1-CB 4.42Å; L174-Q241 HydrophobicContact CD2-CB 3.97Å
175	P	96.2	Very high	94.8	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-52.5	-40.6	-179.8	-29.3	34.5	0	0	0	113.9	R177 V178 S179 I240 A541 L544 Q545	P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.48Å; P175-V178 PolarHBondContact O-N 3Å; P175-S179 WeakPolarHBondContact O-CB 3.4Å; P175-S179 PolarHBondContact O-N 3.5Å; P175-I240 HydrophobicContact CB-CG2 4.07Å; P175-I240 HydrophobicContact CG-CG2 4.32Å; P175-A541 HydrophobicContact CB-CB 3.99Å; P175-L544 HydrophobicContact CB-CB 3.91Å; P175-L544 HydrophobicContact CB-CD1 4.28Å; P175-L544 HydrophobicContact CG-CB 4.42Å; P175-Q545 HydrophobicContact CG-CB 4.26Å
176	R	93.9	Very high	94.5	Very high	20 Å²	20	44.4 Å²	44.4	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-33.1	179	-173.8	53.1	159.5	140.1	3.9	112.9	L174 R180 I240 V242 M262 T525 E526 D538	L174-R176 PolarHBondContact O-N 3.31Å; L174-R176 VanDerWaalsContact O-N 3.17Å; R176-R180 VanDerWaalsContact CZ-NE 3.29Å; R176-R180 PolarHBondContact O-N 3.11Å; R176-R180 VanDerWaalsContact O-N 3.08Å; R176-I240 HydrophobicContact CB-CG2 4.18Å; R176-V242 HydrophobicContact CG-CG2 4.25Å; R176-M262 HydrophobicContact CB-CE 4.09Å; R176-M262 HydrophobicContact CG-CE 4.1Å; R176-T525 PolarHBondContact NH1-O 3.49Å; R176-E526 IonicContact CZ-OE1 2.73Å; R176-E526 IonicContact CZ-OE2 3.36Å; R176-E526 IonicContact NH1-OE1 2.79Å; R176-E526 PolarHBondContact NH1-OE1 3.26Å; R176-E526 IonicContact NH1-OE2 3.56Å; R176-E526 VanDerWaalsContact NH2-CD 3.29Å; R176-E526 IonicContact NH2-OE1 3.78Å; R176-E526 PolarHBondContact NH2-OE1 2.92Å; R176-E526 IonicContact NH2-OE2 3.54Å; R176-E526 PolarHBondContact NH2-OE2 3.36Å; R176-D538 WeakPolarHBondContact CD-OD2 3.41Å; R176-D538 IonicContact CZ-OD2 3.9Å; R176-D538 IonicContact NE-OD2 2.87Å; R176-D538 PolarHBondContact NE-OD2 3.34Å; R176-D538 IonicContact NH1-OD2 3.83Å; R176-D538 PolarHBondContact NH1-OD2 2.8Å
177	R	94.1	Very high	93.9	Very high	79 Å²	79	43.2 Å²	43.2	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-69.2	-45.7	176.3	-172.8	178	175.7	-159.3	-7.9	110.7	L174 P175 S179 R180 E181 L589	L174-R177 HydrophobicContact CB-CB 4.16Å; L174-R177 WeakPolarHBondContact O-CB 3.39Å; L174-R177 PolarHBondContact O-N 3.08Å; P175-R177 VanDerWaalsContact C-N 3.3Å; P175-R177 PolarHBondContact O-N 3.48Å; R177-S179 VanDerWaalsContact C-N 3.32Å; R177-S179 PolarHBondContact O-N 3.48Å; R177-R180 PolarHBondContact O-N 3.28Å; R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.32Å; R177-E181 IonicContact CZ-OE1 2.96Å; R177-E181 IonicContact NE-OE1 3.82Å; R177-E181 PolarHBondContact NE-OE1 3.14Å; R177-E181 IonicContact NE-OE2 3.76Å; R177-E181 IonicContact NH2-OE1 3.15Å; R177-E181 IonicContact NH2-OE2 3.55Å; R177-E181 WeakPolarHBondContact O-CB 3.34Å; R177-E181 WeakPolarHBondContact O-CG 3.41Å; R177-E181 PolarHBondContact O-N 2.88Å; R177-L589 HydrophobicContact CG-CD2 4.09Å; R177-L589 VanDerWaalsContact CZ-CD2 3.45Å
178	V	96.7	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-45.1	174.4	179.9	0	0	0	0	110.9	P173 L174 P175 R180 V182 V183 L544 L589 Y590 L600	P173-V178 HydrophobicContact CB-CG2 3.75Å; P173-V178 HydrophobicContact CG-CG2 3.67Å; L174-V178 PolarHBondContact O-N 3.27Å; L174-V178 VanDerWaalsContact O-N 3.16Å; P175-V178 PolarHBondContact O-N 3Å; V178-R180 PolarHBondContact O-N 3.4Å; V178-V182 WeakPolarHBondContact O-CB 3.43Å; V178-V182 PolarHBondContact O-N 2.9Å; V178-V183 PolarHBondContact O-N 2.97Å; V178-L544 HydrophobicContact CB-CD1 3.73Å; V178-L544 HydrophobicContact CG1-CD1 3.68Å; V178-L589 HydrophobicContact CG2-CD1 4.33Å; V178-Y590 HydrophobicContact CG1-CE2 4.15Å; V178-Y590 HydrophobicContact CG2-CE2 3.96Å; V178-L600 HydrophobicContact CG1-CD2 3.68Å
179	S	95.8	Very high	93.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-54.6	-54	176.1	175.6	0	0	0	0	112.1	P175 R177 V183 R184 D538	P175-S179 WeakPolarHBondContact O-CB 3.4Å; P175-S179 PolarHBondContact O-N 3.5Å; R177-S179 VanDerWaalsContact C-N 3.32Å; R177-S179 PolarHBondContact O-N 3.48Å; S179-V183 PolarHBondContact O-N 2.86Å; S179-R184 WeakPolarHBondContact O-CB 3.49Å; S179-R184 PolarHBondContact O-N 3.35Å; S179-D538 WeakPolarHBondContact CB-OD2 3.29Å; S179-D538 VanDerWaalsContact OG-CG 3.23Å; S179-D538 PolarHBondContact OG-OD1 3.49Å; S179-D538 VanDerWaalsContact OG-OD1 3.07Å; S179-D538 PolarHBondContact OG-OD2 2.9Å
180	R	93	Very high	93.4	Very high	50 Å²	50	44.7 Å²	44.7	19%	0.189	24%	0.238	C	C	.	.	I	π-helix	trans	-69.2	-37.1	-176.1	-75	178.8	163.1	179.9	-5.7	114.3	R176 R177 V178 Q246 E251 E526	R176-R180 VanDerWaalsContact CZ-NE 3.29Å; R176-R180 PolarHBondContact O-N 3.11Å; R176-R180 VanDerWaalsContact O-N 3.08Å; R177-R180 PolarHBondContact O-N 3.28Å; V178-R180 PolarHBondContact O-N 3.4Å; R180-Q246 PolarHBondContact NH1-O 3.44Å; R180-E251 IonicContact NH2-OE2 2.71Å; R180-E526 IonicContact NE-OE1 3.01Å; R180-E526 IonicContact NE-OE2 3.71Å; R180-E526 IonicContact NH2-OE2 3.75Å; R180-E526 PolarHBondContact NH2-OE2 2.62Å
181	E	93.5	Very high	93.3	Very high	57 Å²	57	44.3 Å²	44.3	27%	0.266	24%	0.235	S	C	.	.	I	π-helix	trans	-89	-27.6	-172.4	-67.4	-174.1	-150.1	0	0	113.7	R177 Q246 K585 L589	R177-E181 HydrophobicContact CG-CG 4.35Å; R177-E181 WeakPolarHBondContact CG-OE1 3.32Å; R177-E181 IonicContact CZ-OE1 2.96Å; R177-E181 IonicContact NE-OE1 3.82Å; R177-E181 PolarHBondContact NE-OE1 3.14Å; R177-E181 IonicContact NE-OE2 3.76Å; R177-E181 IonicContact NH2-OE1 3.15Å; R177-E181 IonicContact NH2-OE2 3.55Å; R177-E181 WeakPolarHBondContact O-CB 3.34Å; R177-E181 WeakPolarHBondContact O-CG 3.41Å; R177-E181 PolarHBondContact O-N 2.88Å; E181-Q246 PolarHBondContact OE1-NE2 3.25Å; E181-Q246 VanDerWaalsContact OE1-NE2 3.15Å; E181-K585 PolarHBondContact O-NZ 2.72Å; E181-K585 VanDerWaalsContact O-NZ 3.1Å; E181-L589 HydrophobicContact CB-CD1 4.17Å
182	V	95.1	Very high	93.2	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	25%	0.251	C	S	.	.	I	π-helix	trans	-118.2	-47.5	-174.8	-177	0	0	0	0	112.9	V178 V582 K585 I586 L589 L600	V178-V182 WeakPolarHBondContact O-CB 3.43Å; V178-V182 PolarHBondContact O-N 2.9Å; V182-V582 HydrophobicContact CG1-CG1 4.39Å; V182-K585 HydrophobicContact CG2-CB 4.18Å; V182-I586 HydrophobicContact CG1-CD1 4.17Å; V182-I586 HydrophobicContact CG1-CG1 3.84Å; V182-I586 HydrophobicContact CG2-CG1 4.18Å; V182-L589 HydrophobicContact CG2-CD1 3.68Å; V182-L600 HydrophobicContact CG1-CD1 4.1Å
183	V	96.1	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	I	π-helix	trans	-88.7	-38.5	-165.1	-178.2	0	0	0	0	113.2	V178 S179 L519 L520 A540 W599 L600	V178-V183 PolarHBondContact O-N 2.97Å; S179-V183 PolarHBondContact O-N 2.86Å; V183-L519 HydrophobicContact CB-CD1 4.43Å; V183-L519 HydrophobicContact CG1-CB 3.81Å; V183-L519 HydrophobicContact CG1-CD1 4.27Å; V183-L519 HydrophobicContact CG2-CD1 4.24Å; V183-L519 WeakPolarHBondContact O-CB 3.41Å; V183-L519 PolarHBondContact O-N 3.41Å; V183-L520 HydrophobicContact CG1-CB 3.92Å; V183-L520 HydrophobicContact CG1-CD1 3.76Å; V183-L520 HydrophobicContact CG1-CD2 4.47Å; V183-L520 HydrophobicContact CG1-CG 4.24Å; V183-L520 PolarHBondContact O-N 3.06Å; V183-A540 HydrophobicContact CB-CB 4.25Å; V183-A540 HydrophobicContact CG1-CB 3.75Å; V183-W599 HydrophobicContact CG1-CH2 4.23Å; V183-W599 HydrophobicContact CG2-CZ3 4.46Å; V183-L600 HydrophobicContact CG2-CD1 3.94Å
184	R	94.4	Very high	93.3	Very high	103 Å²	103	45 Å²	45	39%	0.389	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	135.2	-171.6	-176.9	-176.5	77.8	106.5	14.9	112.4	S179 L520 E522 E526	S179-R184 WeakPolarHBondContact O-CB 3.49Å; S179-R184 PolarHBondContact O-N 3.35Å; R184-L520 CarbonylContact C-O 3.59Å; R184-L520 WeakPolarHBondContact CA-O 3.35Å; R184-E522 HydrophobicContact CG-CG 3.99Å; R184-E522 IonicContact CZ-OE1 3.94Å; R184-E522 IonicContact NH1-OE1 3.59Å; R184-E522 PolarHBondContact NH1-OE1 3.45Å; R184-E526 WeakPolarHBondContact CD-OE1 3.49Å
185	T	92.8	Very high	93.4	Very high	17 Å²	17	42 Å²	42	10%	0.104	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.1	169.1	-175.1	0	0	0	0	111.7	C187 K188 S518 L520 V521 E522	T185-C187 WeakPolarHBondContact CG2-O 3.5Å; T185-C187 PolarHBondContact OG1-N 2.65Å; T185-C187 PolarHBondContact OG1-O 3.23Å; T185-K188 HydrophobicContact CG2-CG 4.14Å; T185-S518 WeakPolarHBondContact CG2-OG 3.48Å; T185-S518 PolarHBondContact OG1-OG 3Å; T185-L520 WeakPolarHBondContact CG2-O 3.48Å; T185-L520 PolarHBondContact N-O 2.92Å; T185-V521 HydrophobicContact CG2-CG1 4.31Å; T185-V521 CarbonylContact O-C 3.58Å; T185-V521 WeakPolarHBondContact O-CA 3.4Å; T185-E522 PolarHBondContact O-N 2.98Å; T185-E522 VanDerWaalsContact O-N 3.1Å
186	S	87.1	Confident	93.5	Very high	84 Å²	84	42.6 Å²	42.6	59%	0.587	25%	0.246	S	C	*	.	S	Bend	trans	-91.7	-14.6	174.5	57.2	0	0	0	0	113.2
187	C	83	Confident	93.7	Very high	80 Å²	80	41.6 Å²	41.6	54%	0.541	24%	0.242	S	C	.	.			trans	-145.7	158.4	179.4	61.1	0	0	0	0	111.6	T185 S518	T185-C187 WeakPolarHBondContact CG2-O 3.5Å; T185-C187 PolarHBondContact OG1-N 2.65Å; T185-C187 PolarHBondContact OG1-O 3.23Å; C187-S518 PolarHBondContact O-OG 2.83Å
188	K	89.8	Confident	93.9	Very high	31 Å²	31	38.4 Å²	38.4	14%	0.135	23%	0.231	C	C	.	.			trans	-131.1	144.9	173.5	-78.5	-169.3	176	174.6	0	111	T185 A459 I461 A512 L519 V521	T185-K188 HydrophobicContact CG2-CG 4.14Å; K188-A459 PolarHBondContact NZ-O 3.18Å; K188-I461 PolarHBondContact NZ-O 2.9Å; K188-A512 HydrophobicContact CB-CB 4.14Å; K188-A512 HydrophobicContact CD-CB 3.62Å; K188-L519 WeakPolarHBondContact CE-O 3.29Å; K188-L519 PolarHBondContact NZ-O 3.47Å; K188-V521 HydrophobicContact CD-CG1 3.74Å; K188-V521 HydrophobicContact CG-CG1 3.72Å
189	D	89.7	Confident	93.9	Very high	122 Å²	122	39 Å²	39	65%	0.652	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-74.3	153.1	169.8	-68.6	-35.3	0	0	0	110.7	V513	D189-V513 PolarHBondContact O-N 3.32Å
190	A	92.8	Very high	94	Very high	72 Å²	72	39.6 Å²	39.6	60%	0.595	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	139	177.6	0	0	0	0	0	110.7	A192 A510	A190-A192 PolarHBondContact O-N 3.37Å; A190-A510 HydrophobicContact CB-CB 3.78Å
191	D	93.3	Very high	94.3	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.2	174.7	-164.3	-51	0	0	0	110.3	A193 Y194 A510 A511 V513 R612 L675	D191-A193 VanDerWaalsContact C-N 3.26Å; D191-A193 PolarHBondContact O-N 2.9Å; D191-A193 WeakPolarHBondContact OD1-CA 3.21Å; D191-A193 PolarHBondContact OD1-N 2.86Å; D191-Y194 PolarHBondContact OD1-N 3.19Å; D191-A510 WeakPolarHBondContact O-CB 3.47Å; D191-A511 HydrophobicContact CB-CB 4Å; D191-A511 VanDerWaalsContact CB-O 3.31Å; D191-A511 WeakPolarHBondContact CB-O 3.38Å; D191-A511 PolarHBondContact N-O 2.99Å; D191-V513 HydrophobicContact CB-CG2 3.53Å; D191-R612 IonicContact OD1-CZ 3.46Å; D191-R612 IonicContact OD1-NH2 3.49Å; D191-R612 PolarHBondContact OD1-NH2 3.41Å; D191-R612 IonicContact OD2-CZ 3.74Å; D191-R612 IonicContact OD2-NE 2.8Å; D191-R612 PolarHBondContact OD2-NE 3.3Å; D191-R612 IonicContact OD2-NH2 3.81Å; D191-R612 PolarHBondContact OD2-NH2 3.27Å; D191-L675 WeakPolarHBondContact O-CD2 3.36Å
192	A	93.5	Very high	94.5	Very high	98 Å²	98	34.8 Å²	34.8	81%	0.81	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	-17.4	-179.1	0	0	0	0	0	113.5	A190	A190-A192 PolarHBondContact O-N 3.37Å
193	A	95.8	Very high	94.6	Very high	36 Å²	36	37.1 Å²	37.1	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-29.6	-171.5	0	0	0	0	0	113.8	D191 R674 L675	D191-A193 VanDerWaalsContact C-N 3.26Å; D191-A193 PolarHBondContact O-N 2.9Å; D191-A193 WeakPolarHBondContact OD1-CA 3.21Å; D191-A193 PolarHBondContact OD1-N 2.86Å; A193-R674 WeakPolarHBondContact O-CA 3.41Å; A193-L675 PolarHBondContact O-N 3.33Å
194	Y	97.5	Very high	94.7	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	-170.9	-59.2	-51.5	0	0	0	113.8	D191 L198 K420 A511 G610 R612 F673 R674	D191-Y194 PolarHBondContact OD1-N 3.19Å; Y194-L198 HydrophobicContact CD1-CD2 4.3Å; Y194-L198 HydrophobicContact CD2-CD2 3.55Å; Y194-L198 HydrophobicContact CE2-CD2 4.22Å; Y194-L198 HydrophobicContact CG-CD2 3.61Å; Y194-K420 HydrophobicContact CD1-CD 3.98Å; Y194-K420 HydrophobicContact CE1-CB 4.02Å; Y194-K420 HydrophobicContact CE1-CD 3.5Å; Y194-K420 HydrophobicContact CE1-CG 3.76Å; Y194-K420 HydrophobicContact CE2-CB 4.24Å; Y194-A511 PolarHBondContact O-N 3.27Å; Y194-G610 PolarHBondContact OH-O 2.94Å; Y194-R612 HydrophobicContact CD2-CG 4.16Å; Y194-R612 HydrophobicContact CE2-CG 4.13Å; Y194-R612 VanDerWaalsContact CE2-NH2 3.3Å; Y194-F673 CarbonylContact C-O 3.53Å; Y194-F673 VanDerWaalsContact CA-O 3.26Å; Y194-F673 WeakPolarHBondContact CA-O 3.38Å; Y194-F673 WeakPolarHBondContact CB-O 3.1Å; Y194-F673 WeakPolarHBondContact CD1-O 3.47Å; Y194-R674 HydrophobicContact CD1-CG 4.21Å; Y194-R674 HydrophobicContact CE1-CG 4.26Å
195	S	98	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	160.8	176.5	66.4	0	0	0	0	110.9	L197 L198 V507 T509 A511 P672 F673	S195-L197 PolarHBondContact O-N 3.49Å; S195-L197 VanDerWaalsContact O-N 3.15Å; S195-L198 WeakPolarHBondContact O-CB 3.42Å; S195-L198 PolarHBondContact O-N 3.26Å; S195-V507 WeakPolarHBondContact CB-O 3.2Å; S195-T509 CarbonylContact C-O 3.48Å; S195-T509 WeakPolarHBondContact CA-O 3.32Å; S195-A511 WeakPolarHBondContact O-CB 3.17Å; S195-P672 PolarHBondContact OG-O 2.91Å; S195-F673 PolarHBondContact N-O 2.89Å; S195-F673 WeakPolarHBondContact OG-CA 3.06Å; S195-F673 PolarHBondContact OG-O 3.08Å
196	Q	97.9	Very high	95.2	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-28.5	176.1	-179.4	57.6	39.3	0	0	112.4	L198 A199 D200 M506 T509	Q196-L198 PolarHBondContact O-N 2.91Å; Q196-L198 VanDerWaalsContact O-N 3.14Å; Q196-A199 WeakPolarHBondContact O-CB 3.16Å; Q196-A199 PolarHBondContact O-N 3.46Å; Q196-D200 PolarHBondContact NE2-OD1 3.41Å; Q196-D200 PolarHBondContact O-N 3.02Å; Q196-D200 VanDerWaalsContact O-N 3.1Å; Q196-M506 PolarHBondContact N-O 2.7Å; Q196-T509 PolarHBondContact N-O 2.98Å
197	L	98.5	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-30.3	174.6	-176.1	64.9	0	0	0	113	S195 A199 D200 W201 L370 M506 V507 L655 I659 P672 F673	S195-L197 PolarHBondContact O-N 3.49Å; S195-L197 VanDerWaalsContact O-N 3.15Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-D200 PolarHBondContact O-N 3.05Å; L197-W201 VanDerWaalsContact O-CB 3.26Å; L197-W201 WeakPolarHBondContact O-CB 3.27Å; L197-W201 PolarHBondContact O-N 2.86Å; L197-L370 HydrophobicContact CD1-CD2 4.16Å; L197-M506 HydrophobicContact CB-CB 4.26Å; L197-M506 HydrophobicContact CD1-CB 4.35Å; L197-M506 HydrophobicContact CD1-CE 3.56Å; L197-M506 PolarHBondContact N-O 3.34Å; L197-V507 HydrophobicContact CD2-CG1 4.17Å; L197-L655 HydrophobicContact CD1-CD2 4.44Å; L197-L655 HydrophobicContact CD2-CD2 3.74Å; L197-L655 HydrophobicContact CD2-CG 4.46Å; L197-L655 HydrophobicContact CG-CD2 4.31Å; L197-I659 HydrophobicContact CD2-CD1 4.44Å; L197-P672 HydrophobicContact CD2-CB 3.65Å; L197-P672 HydrophobicContact CD2-CG 3.92Å; L197-F673 HydrophobicContact CB-CD1 4.41Å; L197-F673 HydrophobicContact CD2-CD1 4.21Å; L197-F673 HydrophobicContact CD2-CE1 4.17Å; L197-F673 HydrophobicContact CG-CD1 3.98Å; L197-F673 HydrophobicContact CG-CE1 3.89Å
198	L	98.3	Very high	96.4	Very high	11 Å²	11	25 Å²	25	6%	0.058	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-46.2	175.1	-174.3	77.9	0	0	0	110.6	Y194 S195 Q196 G202 Y417 K420 R612 F673	Y194-L198 HydrophobicContact CD1-CD2 4.3Å; Y194-L198 HydrophobicContact CD2-CD2 3.55Å; Y194-L198 HydrophobicContact CE2-CD2 4.22Å; Y194-L198 HydrophobicContact CG-CD2 3.61Å; S195-L198 WeakPolarHBondContact O-CB 3.42Å; S195-L198 PolarHBondContact O-N 3.26Å; Q196-L198 PolarHBondContact O-N 2.91Å; Q196-L198 VanDerWaalsContact O-N 3.14Å; L198-G202 PolarHBondContact O-N 3.06Å; L198-Y417 HydrophobicContact CD1-CD2 3.57Å; L198-Y417 HydrophobicContact CD1-CE2 3.94Å; L198-Y417 HydrophobicContact CG-CD2 4.32Å; L198-Y417 HydrophobicContact CG-CE2 4.21Å; L198-Y417 VanDerWaalsContact O-CE2 3.25Å; L198-Y417 WeakPolarHBondContact O-CE2 3.34Å; L198-K420 HydrophobicContact CD1-CB 4.02Å; L198-K420 HydrophobicContact CD1-CD 3.91Å; L198-R612 HydrophobicContact CD2-CG 4.48Å; L198-F673 HydrophobicContact CB-CB 4.41Å; L198-F673 HydrophobicContact CB-CD1 4.23Å; L198-F673 HydrophobicContact CD1-CB 3.94Å; L198-F673 HydrophobicContact CD1-CD1 4.09Å; L198-F673 HydrophobicContact CD1-CG 4.06Å
199	A	96.9	Very high	96.8	Very high	13 Å²	13	23.5 Å²	23.5	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-45.6	178.2	0	0	0	0	0	111.5	Q196 L197 W201 G202 Q203 T460	Q196-A199 WeakPolarHBondContact O-CB 3.16Å; Q196-A199 PolarHBondContact O-N 3.46Å; L197-A199 VanDerWaalsContact C-N 3.34Å; A199-W201 PolarHBondContact O-N 2.95Å; A199-G202 PolarHBondContact O-N 2.72Å; A199-G202 VanDerWaalsContact O-N 3.11Å; A199-Q203 PolarHBondContact O-N 3.21Å; A199-T460 VanDerWaalsContact CB-OG1 3.26Å; A199-T460 WeakPolarHBondContact CB-OG1 2.98Å
200	D	98.3	Very high	97.2	Very high	12 Å²	12	18 Å²	18	6%	0.064	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-35.4	-176.8	-57.6	-28.9	0	0	0	112.1	Q196 L197 G202 Q203 Y204 P366 L370 M506	Q196-D200 PolarHBondContact NE2-OD1 3.41Å; Q196-D200 PolarHBondContact O-N 3.02Å; Q196-D200 VanDerWaalsContact O-N 3.1Å; L197-D200 PolarHBondContact O-N 3.05Å; D200-G202 VanDerWaalsContact C-N 3.3Å; D200-G202 PolarHBondContact O-N 2.67Å; D200-Q203 PolarHBondContact O-N 2.7Å; D200-Y204 WeakPolarHBondContact O-CB 3.31Å; D200-Y204 PolarHBondContact O-N 3.29Å; D200-P366 HydrophobicContact CB-CB 3.96Å; D200-L370 HydrophobicContact CB-CD1 4.49Å; D200-M506 HydrophobicContact CB-CE 3.72Å; D200-M506 WeakPolarHBondContact OD2-CE 3.44Å; D200-M506 VanDerWaalsContact OD2-CG 3.31Å; D200-M506 WeakPolarHBondContact OD2-CG 3.26Å
201	W	98.7	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.6	-34.5	172.5	-175.6	-90.9	0	0	0	112.2	L197 A199 Y204 I205 W374 I412 T413 Y417 L655 F673	L197-W201 VanDerWaalsContact O-CB 3.26Å; L197-W201 WeakPolarHBondContact O-CB 3.27Å; L197-W201 PolarHBondContact O-N 2.86Å; A199-W201 PolarHBondContact O-N 2.95Å; W201-Y204 HydrophobicContact CD2-CD1 4.44Å; W201-Y204 AromaticContact CE3-CD1 3.98Å; W201-Y204 HydrophobicContact CE3-CD1 3.98Å; W201-Y204 HydrophobicContact CH2-CD1 4.19Å; W201-Y204 HydrophobicContact CH2-CE1 4.1Å; W201-Y204 AromaticContact CZ3-CD1 3.86Å; W201-Y204 HydrophobicContact CZ3-CD1 3.86Å; W201-Y204 AromaticContact CZ3-CE1 3.94Å; W201-Y204 HydrophobicContact CZ3-CE1 3.94Å; W201-Y204 PolarHBondContact O-N 2.93Å; W201-I205 WeakPolarHBondContact O-CB 3.26Å; W201-I205 WeakPolarHBondContact O-CG2 3.46Å; W201-I205 PolarHBondContact O-N 2.91Å; W201-W374 AromaticContact CH2-CZ2 3.74Å; W201-W374 HydrophobicContact CH2-CZ2 3.74Å; W201-W374 HydrophobicContact CZ3-CZ2 4.01Å; W201-W374 AromaticContact CZ3-NE1 3.68Å; W201-I412 HydrophobicContact CD2-CG2 4.3Å; W201-I412 HydrophobicContact CH2-CB 4.28Å; W201-I412 HydrophobicContact CH2-CD1 4.34Å; W201-I412 HydrophobicContact CH2-CG2 3.89Å; W201-I412 HydrophobicContact CZ2-CB 3.9Å; W201-I412 HydrophobicContact CZ2-CG2 3.49Å; W201-I412 VanDerWaalsContact CZ2-CG2 3.49Å; W201-I412 HydrophobicContact CZ3-CG2 4.42Å; W201-T413 PolarHBondContact NE1-OG1 3.48Å; W201-Y417 HydrophobicContact CB-CD2 4.49Å; W201-Y417 AromaticContact CD1-CD2 3.6Å; W201-Y417 AromaticContact CD1-CG 3.51Å; W201-Y417 HydrophobicContact CG-CD2 4.38Å; W201-L655 HydrophobicContact CD2-CD2 4.44Å; W201-L655 HydrophobicContact CE3-CD2 3.76Å; W201-L655 HydrophobicContact CZ3-CD1 4.07Å; W201-L655 HydrophobicContact CZ3-CD2 4.01Å; W201-F673 HydrophobicContact CB-CE1 3.55Å; W201-F673 HydrophobicContact CB-CZ 4.05Å; W201-F673 HydrophobicContact CD2-CE1 4.32Å; W201-F673 AromaticContact CD2-CZ 3.97Å; W201-F673 HydrophobicContact CD2-CZ 3.97Å; W201-F673 AromaticContact CG-CE1 3.76Å; W201-F673 HydrophobicContact CG-CE1 3.76Å; W201-F673 AromaticContact CG-CZ 3.71Å; W201-F673 HydrophobicContact CG-CZ 3.71Å
202	G	98	Very high	97.4	Very high	7 Å²	7	16.1 Å²	16.1	7%	0.072	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-46.1	174.5	0	0	0	0	0	112.9	L198 A199 D200 D206 Y417 F454	L198-G202 PolarHBondContact O-N 3.06Å; A199-G202 PolarHBondContact O-N 2.72Å; A199-G202 VanDerWaalsContact O-N 3.11Å; D200-G202 VanDerWaalsContact C-N 3.3Å; D200-G202 PolarHBondContact O-N 2.67Å; G202-D206 WeakPolarHBondContact O-CB 3.34Å; G202-D206 PolarHBondContact O-N 2.78Å; G202-D206 VanDerWaalsContact O-N 3.08Å; G202-Y417 VanDerWaalsContact CA-CZ 3.46Å; G202-Y417 WeakPolarHBondContact CA-OH 3.48Å; G202-F454 WeakPolarHBondContact O-CE1 3.21Å
203	Q	97.3	Very high	97.3	Very high	57 Å²	57	11.5 Å²	11.5	27%	0.266	7%	0.068	S	C	.	.	H	α-helix	trans	-65.8	-43.5	173.8	-171.7	179.4	17.5	0	0	111.4	A199 D200 I205 D206 H207 E363 L367	A199-Q203 PolarHBondContact O-N 3.21Å; D200-Q203 PolarHBondContact O-N 2.7Å; Q203-I205 PolarHBondContact O-N 2.79Å; Q203-D206 WeakPolarHBondContact O-CB 3.2Å; Q203-D206 PolarHBondContact O-N 3.49Å; Q203-H207 PolarHBondContact O-CD2 2.87Å; Q203-H207 PolarHBondContact O-N 2.92Å; Q203-E363 PolarHBondContact NE2-OE2 3.07Å; Q203-L367 HydrophobicContact CB-CD2 4.33Å; Q203-L367 HydrophobicContact CG-CD1 4.34Å; Q203-L367 HydrophobicContact CG-CD2 4.04Å
204	Y	98.5	Very high	96.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.6	-49.1	178.6	-178.1	-105.9	0	0	0	112	D200 W201 H207 L295 L367 L370 H371 W374 H409	D200-Y204 WeakPolarHBondContact O-CB 3.31Å; D200-Y204 PolarHBondContact O-N 3.29Å; W201-Y204 HydrophobicContact CD2-CD1 4.44Å; W201-Y204 AromaticContact CE3-CD1 3.98Å; W201-Y204 HydrophobicContact CE3-CD1 3.98Å; W201-Y204 HydrophobicContact CH2-CD1 4.19Å; W201-Y204 HydrophobicContact CH2-CE1 4.1Å; W201-Y204 AromaticContact CZ3-CD1 3.86Å; W201-Y204 HydrophobicContact CZ3-CD1 3.86Å; W201-Y204 AromaticContact CZ3-CE1 3.94Å; W201-Y204 HydrophobicContact CZ3-CE1 3.94Å; W201-Y204 PolarHBondContact O-N 2.93Å; Y204-H207 WeakPolarHBondContact O-CB 3.32Å; Y204-H207 PolarHBondContact O-N 3.08Å; Y204-L295 HydrophobicContact CD1-CD2 4.25Å; Y204-L295 HydrophobicContact CD2-CD1 4.26Å; Y204-L295 HydrophobicContact CD2-CD2 4.15Å; Y204-L295 HydrophobicContact CE1-CD1 4.06Å; Y204-L295 HydrophobicContact CE1-CD2 4.08Å; Y204-L295 HydrophobicContact CE2-CD1 3.35Å; Y204-L295 HydrophobicContact CE2-CD2 3.98Å; Y204-L295 HydrophobicContact CE2-CG 4.38Å; Y204-L295 HydrophobicContact CG-CD2 4.29Å; Y204-L295 WeakPolarHBondContact O-CD2 3.43Å; Y204-L295 WeakPolarHBondContact OH-CD1 3.32Å; Y204-L367 HydrophobicContact CD2-CD2 4.49Å; Y204-L370 HydrophobicContact CD1-CD1 4.41Å; Y204-L370 HydrophobicContact CD2-CB 3.61Å; Y204-L370 HydrophobicContact CD2-CD1 4.01Å; Y204-L370 HydrophobicContact CD2-CG 4.46Å; Y204-L370 HydrophobicContact CE2-CB 3.68Å; Y204-L370 HydrophobicContact CG-CB 4.13Å; Y204-L370 HydrophobicContact CG-CD1 3.77Å; Y204-H371 AromaticContact CE2-CD2 3.73Å; Y204-H371 AromaticContact CE2-NE2 3.9Å; Y204-W374 AromaticContact CE1-CD1 3.81Å; Y204-W374 AromaticContact CE1-NE1 3.63Å; Y204-W374 AromaticContact CZ-CD1 3.42Å; Y204-W374 VanDerWaalsContact CZ-CD1 3.42Å; Y204-W374 AromaticContact CZ-NE1 3.76Å; Y204-W374 PolarHBondContact OH-NE1 3.42Å; Y204-H409 AromaticContact CE1-CD2 3.88Å; Y204-H409 AromaticContact CE1-NE2 3.47Å; Y204-H409 WeakPolarHBondContact CE1-NE2 3.37Å; Y204-H409 AromaticContact CZ-NE2 3.78Å; Y204-H409 PolarHBondContact OH-NE2 2.77Å
205	I	98.2	Very high	96.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-75.3	-25.5	-178.3	-157.2	66.6	0	0	0	113.1	W201 Q203 H207 D208 I291 T413 Y417 F454	W201-I205 WeakPolarHBondContact O-CB 3.26Å; W201-I205 WeakPolarHBondContact O-CG2 3.46Å; W201-I205 PolarHBondContact O-N 2.91Å; Q203-I205 PolarHBondContact O-N 2.79Å; I205-H207 PolarHBondContact O-N 3.2Å; I205-D208 HydrophobicContact CD1-CB 4.17Å; I205-D208 WeakPolarHBondContact O-CB 3.46Å; I205-D208 PolarHBondContact O-N 3.46Å; I205-D208 VanDerWaalsContact O-N 3.16Å; I205-I291 HydrophobicContact CD1-CG2 3.91Å; I205-T413 WeakPolarHBondContact CD1-OG1 3.43Å; I205-T413 HydrophobicContact CG1-CG2 3.91Å; I205-T413 WeakPolarHBondContact CG1-OG1 3.43Å; I205-Y417 HydrophobicContact CG2-CE1 4.24Å; I205-F454 HydrophobicContact CG2-CE1 3.72Å; I205-F454 HydrophobicContact CG2-CZ 3.64Å
206	D	98.1	Very high	94.8	Very high	23 Å²	23	13.1 Å²	13.1	12%	0.123	7%	0.071	C	C	.	.	H	α-helix	trans	-56	-42.5	169.1	177.4	-96.8	0	0	0	110.6	G202 Q203 D208 V209 T210 R360 F454	G202-D206 WeakPolarHBondContact O-CB 3.34Å; G202-D206 PolarHBondContact O-N 2.78Å; G202-D206 VanDerWaalsContact O-N 3.08Å; Q203-D206 WeakPolarHBondContact O-CB 3.2Å; Q203-D206 PolarHBondContact O-N 3.49Å; D206-D208 PolarHBondContact O-N 3.18Å; D206-V209 PolarHBondContact O-N 3.37Å; D206-V209 VanDerWaalsContact O-N 3.12Å; D206-T210 PolarHBondContact O-N 2.82Å; D206-T210 PolarHBondContact OD2-OG1 3.06Å; D206-R360 IonicContact OD1-NH1 3.6Å; D206-F454 HydrophobicContact CB-CD1 3.62Å; D206-F454 HydrophobicContact CB-CE1 3.77Å; D206-F454 WeakPolarHBondContact OD2-CD1 3.11Å
207	H	97.9	Very high	92.8	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-69.7	-14.8	-177.6	-68.1	-162.6	0	0	0	113.5	Q203 Y204 I205 L295 E358 R360 E363	Q203-H207 PolarHBondContact O-CD2 2.87Å; Q203-H207 PolarHBondContact O-N 2.92Å; Y204-H207 WeakPolarHBondContact O-CB 3.32Å; Y204-H207 PolarHBondContact O-N 3.08Å; I205-H207 PolarHBondContact O-N 3.2Å; H207-L295 HydrophobicContact CB-CD2 4.37Å; H207-E358 HydrophobicContact CB-CG 4.26Å; H207-E358 IonicContact CE1-OE1 2.66Å; H207-E358 IonicContact ND1-OE1 3.64Å; H207-E358 PolarHBondContact ND1-OE1 3.31Å; H207-E358 VanDerWaalsContact ND1-OE1 3.11Å; H207-R360 PolarHBondContact CD2-NH1 3.04Å; H207-R360 VanDerWaalsContact CE1-CB 3.41Å; H207-R360 WeakPolarHBondContact CE1-CB 3.47Å; H207-R360 VanDerWaalsContact CG-CZ 3.49Å; H207-R360 PolarHBondContact NE2-NH1 3.17Å; H207-E363 IonicContact CE1-OE2 3.62Å
208	D	98.4	Very high	90.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-80.8	-28.8	174.6	-149.6	29.2	0	0	0	112	I205 D206 S288 D292 A293 S294 L295	I205-D208 HydrophobicContact CD1-CB 4.17Å; I205-D208 WeakPolarHBondContact O-CB 3.46Å; I205-D208 PolarHBondContact O-N 3.46Å; I205-D208 VanDerWaalsContact O-N 3.16Å; D206-D208 PolarHBondContact O-N 3.18Å; D208-S288 VanDerWaalsContact O-O 3.06Å; D208-D292 PolarHBondContact OD2-N 2.95Å; D208-D292 VanDerWaalsContact OD2-N 3.16Å; D208-A293 WeakPolarHBondContact OD1-CA 3.44Å; D208-A293 PolarHBondContact OD1-N 3.13Å; D208-A293 WeakPolarHBondContact OD2-CA 3.4Å; D208-A293 PolarHBondContact OD2-N 2.94Å; D208-S294 PolarHBondContact O-OG 3.42Å; D208-S294 VanDerWaalsContact O-OG 3.12Å; D208-S294 PolarHBondContact OD1-N 3.35Å; D208-S294 PolarHBondContact OD1-OG 3.39Å; D208-S294 VanDerWaalsContact OD1-OG 3.11Å; D208-L295 HydrophobicContact CB-CD2 3.69Å; D208-L295 HydrophobicContact CB-CG 4.26Å; D208-L295 PolarHBondContact OD1-N 3.16Å; D208-L295 VanDerWaalsContact OD1-N 3.16Å
209	V	98.3	Very high	88.5	Confident	1 Å²	1	15 Å²	15	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-105.8	-34.1	-169	178.7	0	0	0	0	111.8	D206 N285 S289 I291 A445 F449 L628	D206-V209 PolarHBondContact O-N 3.37Å; D206-V209 VanDerWaalsContact O-N 3.12Å; V209-N285 PolarHBondContact O-ND2 3.34Å; V209-S289 WeakPolarHBondContact CG1-O 3.33Å; V209-I291 HydrophobicContact CG2-CG1 4.14Å; V209-A445 HydrophobicContact CG1-CB 4.05Å; V209-F449 HydrophobicContact CG1-CE1 3.88Å; V209-L628 HydrophobicContact CG1-CD1 3.81Å; V209-L628 HydrophobicContact CG2-CD1 4.04Å
210	T	97.3	Very high	86.3	Confident	5 Å²	5	15.2 Å²	15.2	3%	0.031	9%	0.093	C	C	.	.			trans	-138.8	137.7	-172.6	83.1	0	0	0	0	114.4	D206 N285 R360 A445 F449 A450	D206-T210 PolarHBondContact O-N 2.82Å; D206-T210 PolarHBondContact OD2-OG1 3.06Å; T210-N285 WeakPolarHBondContact CA-OD1 3.39Å; T210-R360 PolarHBondContact O-NH1 2.82Å; T210-R360 PolarHBondContact O-NH2 2.03Å; T210-A445 HydrophobicContact CG2-CB 3.9Å; T210-F449 HydrophobicContact CG2-CD1 3.98Å; T210-F449 HydrophobicContact CG2-CE1 4Å; T210-A450 HydrophobicContact CG2-CB 3.65Å
211	L	95.5	Very high	83.8	Confident	12 Å²	12	19.5 Å²	19.5	6%	0.063	13%	0.125	C	C	.	.			trans	-155.9	109	169.6	176.9	51.8	0	0	0	109	F51 P213 N285 A286 V287	F51-L211 HydrophobicContact CD1-CD2 4.48Å; F51-L211 HydrophobicContact CE1-CD1 4.18Å; F51-L211 HydrophobicContact CE1-CD2 3.82Å; F51-L211 HydrophobicContact CE1-CG 3.98Å; F51-L211 HydrophobicContact CZ-CD1 4.48Å; L211-P213 WeakPolarHBondContact O-CD 3.16Å; L211-N285 PolarHBondContact N-OD1 3.24Å; L211-N285 PolarHBondContact O-OD1 2.77Å; L211-A286 HydrophobicContact CB-CB 4.39Å; L211-A286 HydrophobicContact CD2-CB 4.35Å; L211-A286 HydrophobicContact CG-CB 4.2Å; L211-A286 PolarHBondContact O-N 2.82Å; L211-V287 HydrophobicContact CB-CB 4.46Å; L211-V287 HydrophobicContact CB-CG1 3.8Å; L211-V287 HydrophobicContact CB-CG2 3.93Å; L211-V287 HydrophobicContact CD2-CG1 3.97Å
212	T	94.3	Very high	81.4	Confident	28 Å²	28	28.3 Å²	28.3	17%	0.172	16%	0.158	C	C	.	.			trans	-98	113.5	174.9	-58.8	0	0	0	0	110.4	S267 Q283 L284	T212-S267 WeakPolarHBondContact CG2-OG 3.13Å; T212-Q283 HydrophobicContact CG2-CB 4.11Å; T212-L284 WeakPolarHBondContact CA-O 3.48Å; T212-L284 WeakPolarHBondContact CG2-O 3Å; T212-L284 PolarHBondContact OG1-O 3.21Å
213	P	90.8	Very high	79.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-64.6	153.3	174.9	-20.6	34.1	0	0	0	112.2	F51 T55 L211 S267 T268 L284 A286	F51-P213 HydrophobicContact CD1-CG 4.29Å; F51-P213 HydrophobicContact CD2-CB 4.46Å; F51-P213 HydrophobicContact CE1-CB 3.97Å; F51-P213 HydrophobicContact CE1-CG 3.83Å; F51-P213 HydrophobicContact CE2-CB 3.93Å; F51-P213 HydrophobicContact CZ-CB 3.67Å; F51-P213 HydrophobicContact CZ-CG 4.05Å; T55-P213 HydrophobicContact CG2-CG 4.16Å; L211-P213 WeakPolarHBondContact O-CD 3.16Å; P213-S267 WeakPolarHBondContact O-CA 3.5Å; P213-T268 PolarHBondContact O-N 2.71Å; P213-T268 PolarHBondContact O-OG1 2.93Å; P213-L284 HydrophobicContact CG-CD2 4.36Å; P213-A286 HydrophobicContact CG-CB 3.67Å
214	Q	87.3	Confident	77.1	Confident	40 Å²	40	36.1 Å²	36.1	19%	0.187	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-85	145.3	168.5	-65.9	-175.9	-11.3	0	0	109.8	Q265 T268	Q214-Q265 HydrophobicContact CB-CG 4.3Å; Q214-T268 PolarHBondContact O-OG1 3.43Å; Q214-T268 VanDerWaalsContact O-OG1 3.06Å
215	S	81.9	Confident	75.6	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.028	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-48.9	144.2	177	-76.4	0	0	0	0	111.9	E63 S217 Q265 R266 S267 T268	E63-S215 WeakPolarHBondContact OE1-CA 3.22Å; E63-S215 WeakPolarHBondContact OE1-CB 3.28Å; E63-S215 PolarHBondContact OE1-OG 3.3Å; S215-S217 PolarHBondContact O-N 3.4Å; S215-Q265 PolarHBondContact O-NE2 2.93Å; S215-R266 WeakPolarHBondContact CB-O 3.26Å; S215-R266 PolarHBondContact N-O 3.03Å; S215-R266 PolarHBondContact OG-O 3.37Å; S215-S267 PolarHBondContact OG-O 3.21Å; S215-T268 WeakPolarHBondContact CA-OG1 3.25Å; S215-T268 PolarHBondContact N-OG1 3.38Å
216	L	69.5	Low	74.6	Confident	38 Å²	38	45.7 Å²	45.7	20%	0.199	24%	0.238	C	C	.	.			trans	-88.6	106	179.4	-66.3	173.8	0	0	0	110.5	R60 G218 A219	R60-L216 HydrophobicContact CB-CD1 4.31Å; L216-G218 PolarHBondContact O-N 2.79Å; L216-A219 HydrophobicContact CB-CB 3.84Å; L216-A219 WeakPolarHBondContact O-CB 3.43Å; L216-A219 PolarHBondContact O-N 3.38Å; L216-A219 VanDerWaalsContact O-N 3.16Å
217	S	57.6	Low	73.8	Confident	31 Å²	31	44.8 Å²	44.8	22%	0.217	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	123.1	172.1	-64	0	0	0	0	110.8	S215 R225 Q265	S215-S217 PolarHBondContact O-N 3.4Å; S217-R225 WeakPolarHBondContact CB-O 3.29Å; S217-R225 PolarHBondContact OG-O 3.43Å; S217-Q265 PolarHBondContact OG-NE2 2.92Å
218	G	54.9	Low	72.9	Confident	26 Å²	26	48.2 Å²	48.2	27%	0.268	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	7.2	179	0	0	0	0	0	116.7	L216 A220	L216-G218 PolarHBondContact O-N 2.79Å; G218-A220 VanDerWaalsContact C-N 3.26Å; G218-A220 CarbonylContact C-O 3.49Å; G218-A220 CarbonylContact O-C 3.55Å; G218-A220 PolarHBondContact O-N 2.78Å
219	A	50.8	Low	71.9	Confident	12 Å²	12	53.6 Å²	53.6	10%	0.099	28%	0.279	C	S	.	.	S	Bend	trans	-59.7	-34.9	175.2	0	0	0	0	0	113.5	R60 E63 L216	R60-A219 HydrophobicContact CB-CB 4.44Å; R60-A219 HydrophobicContact CG-CB 4.04Å; R60-A219 PolarHBondContact NE-O 2.86Å; E63-A219 HydrophobicContact CB-CB 4.07Å; E63-A219 HydrophobicContact CG-CB 4.31Å; L216-A219 HydrophobicContact CB-CB 3.84Å; L216-A219 WeakPolarHBondContact O-CB 3.43Å; L216-A219 PolarHBondContact O-N 3.38Å; L216-A219 VanDerWaalsContact O-N 3.16Å
220	A	51.4	Low	71.1	Confident	16 Å²	16	54.6 Å²	54.6	13%	0.132	29%	0.286	C	S	.	.	S	Bend	trans	-94.9	127.1	159	0	0	0	0	0	107.7	A67 G218 W222 T223	A67-A220 HydrophobicContact CB-CB 4.22Å; G218-A220 VanDerWaalsContact C-N 3.26Å; G218-A220 CarbonylContact C-O 3.49Å; G218-A220 CarbonylContact O-C 3.55Å; G218-A220 PolarHBondContact O-N 2.78Å; A220-W222 PolarHBondContact O-N 3.28Å; A220-T223 PolarHBondContact O-N 3.05Å
221	S	45.2	Very low	70.6	Confident	103 Å²	103	56.3 Å²	56.3	72%	0.72	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-7.5	-175	-167.2	0	0	0	0	115.2
222	W	48.1	Very low	70.1	Confident	184 Å²	184	61.8 Å²	61.8	70%	0.697	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-9.7	-170.7	-48	103.6	0	0	0	113.7	A220	A220-W222 PolarHBondContact O-N 3.28Å
223	T	50.1	Low	69.9	Low	52 Å²	52	62.8 Å²	62.8	32%	0.319	33%	0.327	S	S	.	.			trans	-126	45.5	-176.9	55.6	0	0	0	0	112.3	A220 R225	A220-T223 PolarHBondContact O-N 3.05Å; T223-R225 PolarHBondContact O-N 2.98Å
224	Q	55.4	Low	69.6	Low	176 Å²	176	65.8 Å²	65.8	82%	0.822	34%	0.343	S	S	*	.			trans	-74.1	68.6	176.1	-152.9	176.3	13.7	0	0	110.8
225	R	67.4	Low	69.3	Low	128 Å²	128	66.1 Å²	66.1	48%	0.483	35%	0.345	S	S	.	.			trans	-109.7	135.3	178.6	-66.6	-99.7	-144	-154.6	6.2	110	S217 T223 L234	S217-R225 WeakPolarHBondContact CB-O 3.29Å; S217-R225 PolarHBondContact OG-O 3.43Å; T223-R225 PolarHBondContact O-N 2.98Å; R225-L234 HydrophobicContact CG-CD2 4.33Å; R225-L234 VanDerWaalsContact CZ-CD2 3.47Å
226	D	75.9	Confident	69.5	Low	75 Å²	75	66.1 Å²	66.1	40%	0.401	34%	0.344	S	S	.	.			trans	-91.5	109.4	173.4	-175	2	0	0	0	110	R228 T229 S230	D226-R228 PolarHBondContact O-N 3.01Å; D226-R228 VanDerWaalsContact O-N 3.1Å; D226-R228 VanDerWaalsContact OD1-CB 3.22Å; D226-R228 WeakPolarHBondContact OD1-CB 3.32Å; D226-R228 VanDerWaalsContact OD1-CD 3.24Å; D226-R228 WeakPolarHBondContact OD1-CD 3.46Å; D226-R228 WeakPolarHBondContact OD1-CG 3.43Å; D226-R228 PolarHBondContact OD1-N 2.73Å; D226-R228 IonicContact OD1-NE 3.24Å; D226-T229 PolarHBondContact O-N 3.04Å; D226-T229 VanDerWaalsContact O-N 3.17Å; D226-T229 PolarHBondContact O-OG1 2.93Å; D226-S230 PolarHBondContact O-N 3.47Å
227	C	82.4	Confident	70.4	Confident	4 Å²	4	64.4 Å²	64.4	3%	0.027	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.1	179.2	-56.9	0	0	0	0	113.6	T229 C237 P263	C227-T229 VanDerWaalsContact C-N 3.33Å; C227-C237 WeakPolarHBondContact CA-SG 3.35Å; C227-C237 HydrophobicContact CB-CB 3.72Å; C227-C237 WeakPolarHBondContact CB-SG 3.24Å; C227-C237 WeakPolarHBondContact SG-CA 3.46Å; C227-C237 WeakPolarHBondContact SG-CB 3.44Å; C227-C237 PolarHBondContact SG-N 2.9Å; C227-C237 CovalentContact SG-SG 2.04Å; C227-C237 PolarHBondContact SG-SG 3.31Å; C227-P263 VanDerWaalsContact O-CB 3.28Å; C227-P263 WeakPolarHBondContact O-CB 3.38Å
228	R	78.1	Confident	72.1	Confident	77 Å²	77	63 Å²	63	29%	0.291	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.1	172.5	-61.7	165	-169.7	-115.8	-58.7	113.2	H45 D226 D532	H45-R228 VanDerWaalsContact C-CZ 3.43Å; H45-R228 PolarHBondContact O-NE 3Å; H45-R228 PolarHBondContact O-NH1 3.29Å; H45-R228 PolarHBondContact O-NH2 3.17Å; D226-R228 PolarHBondContact O-N 3.01Å; D226-R228 VanDerWaalsContact O-N 3.1Å; D226-R228 VanDerWaalsContact OD1-CB 3.22Å; D226-R228 WeakPolarHBondContact OD1-CB 3.32Å; D226-R228 VanDerWaalsContact OD1-CD 3.24Å; D226-R228 WeakPolarHBondContact OD1-CD 3.46Å; D226-R228 WeakPolarHBondContact OD1-CG 3.43Å; D226-R228 PolarHBondContact OD1-N 2.73Å; D226-R228 IonicContact OD1-NE 3.24Å; R228-D532 IonicContact CZ-OD1 3.4Å; R228-D532 IonicContact CZ-OD2 2.87Å; R228-D532 PolarHBondContact NH1-O 3.48Å; R228-D532 IonicContact NH1-OD1 3.96Å; R228-D532 PolarHBondContact NH1-OD1 3.03Å; R228-D532 IonicContact NH1-OD2 3.44Å; R228-D532 PolarHBondContact NH1-OD2 2.71Å; R228-D532 PolarHBondContact NH2-O 3.09Å; R228-D532 IonicContact NH2-OD1 2.66Å; R228-D532 IonicContact NH2-OD2 3.59Å; R228-D532 PolarHBondContact NH2-OD2 3.39Å
229	T	78.1	Confident	73.9	Confident	113 Å²	113	61.9 Å²	61.9	69%	0.693	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-5.6	-172	58.9	0	0	0	0	112.5	D226 C227	D226-T229 PolarHBondContact O-N 3.04Å; D226-T229 VanDerWaalsContact O-N 3.17Å; D226-T229 PolarHBondContact O-OG1 2.93Å; C227-T229 VanDerWaalsContact C-N 3.33Å
230	S	80.9	Confident	76	Confident	21 Å²	21	61.3 Å²	61.3	15%	0.147	31%	0.309	C	S	.	.			trans	-107.1	127.5	178.7	-176	0	0	0	0	112.2	D226 E232	D226-S230 PolarHBondContact O-N 3.47Å; S230-E232 PolarHBondContact OG-N 3.49Å
231	C	85.9	Confident	77.8	Confident	42 Å²	42	63.7 Å²	63.7	28%	0.284	32%	0.317	S	S	.	.			trans	-99.2	9.9	166.7	-68.4	0	0	0	0	113.2	P239 Q241 C261	C231-P239 WeakPolarHBondContact O-CG 3.41Å; C231-Q241 PolarHBondContact O-NE2 2.97Å; C231-C261 WeakPolarHBondContact CA-SG 3.32Å; C231-C261 HydrophobicContact CB-CB 3.8Å; C231-C261 WeakPolarHBondContact CB-SG 3.42Å; C231-C261 WeakPolarHBondContact SG-CB 3.46Å; C231-C261 CovalentContact SG-SG 2.03Å; C231-C261 PolarHBondContact SG-SG 3.31Å
232	E	86.3	Confident	79.7	Confident	127 Å²	127	60 Å²	60	59%	0.593	29%	0.29	S	S	*	.	S	Bend	trans	-88.3	140.8	175.9	-63.5	-177.7	170.1	0	0	111.2	S230 L234 P239	S230-E232 PolarHBondContact OG-N 3.49Å; E232-L234 PolarHBondContact O-N 2.85Å; E232-L234 VanDerWaalsContact O-N 3.08Å; E232-P239 WeakPolarHBondContact O-CD 3.14Å
233	N	88.9	Confident	80.7	Confident	48 Å²	48	53.2 Å²	53.2	26%	0.257	27%	0.271	S	S	.	.			trans	-72.5	99.4	168	-71.5	-12.5	0	0	0	108.5	W161 F238 P239	W161-N233 HydrophobicContact CD2-CB 3.92Å; W161-N233 HydrophobicContact CE3-CB 4.02Å; W161-N233 HydrophobicContact CH2-CB 4.06Å; W161-N233 VanDerWaalsContact CZ2-C 3.45Å; W161-N233 HydrophobicContact CZ2-CB 3.94Å; W161-N233 WeakPolarHBondContact CZ2-O 3.41Å; W161-N233 HydrophobicContact CZ3-CB 4.1Å; W161-N233 PolarHBondContact O-ND2 2.81Å; N233-F238 WeakPolarHBondContact OD1-CD2 3.44Å; N233-P239 WeakPolarHBondContact OD1-CD 3.25Å
234	L	85.1	Confident	81	Confident	65 Å²	65	55.8 Å²	55.8	34%	0.34	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-152.8	125.7	179.3	-179.6	75.7	0	0	0	109	R225 E232 C237	R225-L234 HydrophobicContact CG-CD2 4.33Å; R225-L234 VanDerWaalsContact CZ-CD2 3.47Å; E232-L234 PolarHBondContact O-N 2.85Å; E232-L234 VanDerWaalsContact O-N 3.08Å; L234-C237 CarbonylContact C-O 3.46Å; L234-C237 PolarHBondContact N-O 3.4Å; L234-C237 VanDerWaalsContact N-O 3.12Å; L234-C237 CarbonylContact O-C 3.55Å; L234-C237 VanDerWaalsContact O-CA 3.25Å; L234-C237 WeakPolarHBondContact O-CA 3.36Å; L234-C237 WeakPolarHBondContact O-CB 3.43Å; L234-C237 PolarHBondContact O-N 2.9Å
235	H	81.4	Confident	80.9	Confident	47 Å²	47	55.4 Å²	55.4	22%	0.218	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	132.3	-177	-170.6	-65.7	0	0	0	112.6	E63 R281	E63-H235 IonicContact OE2-CE1 3.58Å; E63-H235 PolarHBondContact OE2-CE1 2.91Å; E63-H235 VanDerWaalsContact OE2-CE1 3.28Å; E63-H235 IonicContact OE2-NE2 3.64Å; H235-R281 PolarHBondContact NE2-NH1 2.99Å
236	P	86.2	Confident	80	Confident	3 Å²	3	53 Å²	53	2%	0.019	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	12.7	2.4	36.3	-36.1	0	0	0	114.8	R266	P236-R266 WeakPolarHBondContact O-CB 3.39Å; P236-R266 VanDerWaalsContact O-CG 3.32Å; P236-R266 WeakPolarHBondContact O-CG 3.47Å; P236-R266 PolarHBondContact O-N 2.89Å
237	C	89.1	Confident	78.8	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-83.8	129.6	-179.1	-45.9	0	0	0	0	111.8	C227 L234	C227-C237 WeakPolarHBondContact CA-SG 3.35Å; C227-C237 HydrophobicContact CB-CB 3.72Å; C227-C237 WeakPolarHBondContact CB-SG 3.24Å; C227-C237 WeakPolarHBondContact SG-CA 3.46Å; C227-C237 WeakPolarHBondContact SG-CB 3.44Å; C227-C237 PolarHBondContact SG-N 2.9Å; C227-C237 CovalentContact SG-SG 2.04Å; C227-C237 PolarHBondContact SG-SG 3.31Å; L234-C237 CarbonylContact C-O 3.46Å; L234-C237 PolarHBondContact N-O 3.4Å; L234-C237 VanDerWaalsContact N-O 3.12Å; L234-C237 CarbonylContact O-C 3.55Å; L234-C237 VanDerWaalsContact O-CA 3.25Å; L234-C237 WeakPolarHBondContact O-CA 3.36Å; L234-C237 WeakPolarHBondContact O-CB 3.43Å; L234-C237 PolarHBondContact O-N 2.9Å
238	F	93.2	Very high	77.1	Confident	3 Å²	3	54 Å²	54	1%	0.013	29%	0.289	C	S	.	.			trans	-136.4	64.4	173.3	-178.5	-145	0	0	0	110.4	P158 W161 N233 F264 R266 Q545 R548 D549	P158-F238 HydrophobicContact CB-CD1 3.97Å; P158-F238 HydrophobicContact CB-CE1 3.47Å; P158-F238 VanDerWaalsContact CB-CE1 3.47Å; P158-F238 HydrophobicContact CB-CZ 3.82Å; P158-F238 HydrophobicContact CG-CD1 3.98Å; P158-F238 HydrophobicContact CG-CE1 4.02Å; P158-F238 HydrophobicContact CG-CG 4.45Å; W161-F238 HydrophobicContact CE3-CB 4.45Å; W161-F238 AromaticContact CE3-CD2 3.64Å; W161-F238 HydrophobicContact CE3-CD2 3.64Å; W161-F238 HydrophobicContact CE3-CE2 4.09Å; W161-F238 HydrophobicContact CE3-CG 4.11Å; W161-F238 HydrophobicContact CZ3-CB 3.97Å; W161-F238 AromaticContact CZ3-CD2 3.96Å; W161-F238 HydrophobicContact CZ3-CD2 3.96Å; W161-F238 HydrophobicContact CZ3-CG 4.14Å; N233-F238 WeakPolarHBondContact OD1-CD2 3.44Å; F238-F264 HydrophobicContact CB-CD1 3.83Å; F238-F264 HydrophobicContact CB-CE1 4.19Å; F238-F264 HydrophobicContact CD1-CD1 4.31Å; F238-F264 HydrophobicContact CD1-CE1 4.07Å; F238-F264 HydrophobicContact CG-CD1 4.45Å; F238-F264 PolarHBondContact N-O 2.98Å; F238-F264 VanDerWaalsContact O-CB 3.29Å; F238-F264 WeakPolarHBondContact O-CB 3.4Å; F238-F264 WeakPolarHBondContact O-CD1 3.48Å; F238-F264 WeakPolarHBondContact O-CG 3.31Å; F238-R266 HydrophobicContact CB-CG 3.79Å; F238-Q545 HydrophobicContact CD1-CG 3.89Å; F238-Q545 VanDerWaalsContact CD1-NE2 3.3Å; F238-Q545 HydrophobicContact CE1-CG 3.89Å; F238-Q545 VanDerWaalsContact CE2-NE2 3.32Å; F238-Q545 PolarHBondContact O-NE2 2.7Å; F238-R548 HydrophobicContact CE1-CB 4.33Å; F238-D549 HydrophobicContact CD1-CB 4.41Å
239	P	92.8	Very high	75.5	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.013	32%	0.316	C	S	.	.			trans	-59.9	146.9	-168.1	23.3	-32.7	0	0	0	113.3	C231 E232 N233 Q241 C261 Q545	C231-P239 WeakPolarHBondContact O-CG 3.41Å; E232-P239 WeakPolarHBondContact O-CD 3.14Å; N233-P239 WeakPolarHBondContact OD1-CD 3.25Å; P239-Q241 PolarHBondContact O-N 2.81Å; P239-C261 HydrophobicContact CB-CB 3.99Å; P239-Q545 PolarHBondContact O-NE2 3.28Å
240	I	93.2	Very high	73.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	106.1	177.8	-59.6	167.2	0	0	0	108.4	P175 R176 C261 M262 F264 A541 L542 Q545	P175-I240 HydrophobicContact CB-CG2 4.07Å; P175-I240 HydrophobicContact CG-CG2 4.32Å; R176-I240 HydrophobicContact CB-CG2 4.18Å; I240-C261 CarbonylContact O-C 3.51Å; I240-C261 WeakPolarHBondContact O-CA 3.38Å; I240-C261 WeakPolarHBondContact O-CB 3.2Å; I240-M262 HydrophobicContact CB-CB 4.25Å; I240-M262 HydrophobicContact CB-CE 3.93Å; I240-M262 HydrophobicContact CD1-CE 4.16Å; I240-M262 HydrophobicContact CG2-CE 3.55Å; I240-M262 PolarHBondContact N-O 2.69Å; I240-M262 PolarHBondContact O-N 3.16Å; I240-F264 HydrophobicContact CD1-CB 4.5Å; I240-F264 HydrophobicContact CD1-CD2 4.2Å; I240-F264 HydrophobicContact CG1-CB 4.18Å; I240-F264 HydrophobicContact CG1-CD2 4.43Å; I240-A541 HydrophobicContact CD1-CB 4.05Å; I240-A541 HydrophobicContact CG2-CB 4.2Å; I240-L542 HydrophobicContact CD1-CD2 3.9Å; I240-L542 HydrophobicContact CD1-CG 4.38Å; I240-Q545 HydrophobicContact CD1-CB 4.01Å; I240-Q545 HydrophobicContact CD1-CG 4.33Å; I240-Q545 HydrophobicContact CG1-CB 3.84Å; I240-Q545 HydrophobicContact CG1-CG 3.7Å
241	Q	90.6	Very high	72.2	Confident	65 Å²	65	66.5 Å²	66.5	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.9	-179.2	-56.7	-62.1	-28.2	0	0	112	L174 C231 P239	L174-Q241 HydrophobicContact CD1-CB 4.42Å; L174-Q241 HydrophobicContact CD2-CB 3.97Å; C231-Q241 PolarHBondContact O-NE2 2.97Å; P239-Q241 PolarHBondContact O-N 2.81Å
242	V	84.7	Confident	70.3	Confident	25 Å²	25	69.3 Å²	69.3	15%	0.152	35%	0.351	C	S	.	.			trans	-119.7	132.8	177.3	-175.2	0	0	0	0	109.1	R176 T247 L260 M262	R176-V242 HydrophobicContact CG-CG2 4.25Å; V242-T247 HydrophobicContact CG1-CG2 4.3Å; V242-L260 PolarHBondContact N-O 3.47Å; V242-M262 HydrophobicContact CG2-CG 4.45Å
243	S	69.4	Low	68.1	Low	42 Å²	42	74.2 Å²	74.2	29%	0.294	36%	0.364	S	S	.	.			trans	-80.5	124.2	176.2	-174.5	0	0	0	0	111.1	L245 Q246	S243-L245 PolarHBondContact O-N 3Å; S243-Q246 PolarHBondContact O-N 3.15Å
244	L	57	Low	65.7	Low	107 Å²	107	75.6 Å²	75.6	56%	0.56	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-62.7	-18	175.9	-69.2	178.4	0	0	0	114.2	Q246 T247 L260	L244-Q246 VanDerWaalsContact C-N 3.25Å; L244-Q246 PolarHBondContact O-N 2.88Å; L244-T247 PolarHBondContact O-OG1 3.14Å; L244-L260 HydrophobicContact CD1-CD2 3.69Å; L244-L260 HydrophobicContact CD2-CD2 3.85Å; L244-L260 HydrophobicContact CG-CD2 3.73Å
245	L	52.5	Low	63.5	Low	168 Å²	168	81.8 Å²	81.8	88%	0.88	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-78.3	-10.5	179	-67.1	170.9	0	0	0	112.9	S243	S243-L245 PolarHBondContact O-N 3Å
246	Q	49	Very low	61.5	Low	78 Å²	78	82.6 Å²	82.6	36%	0.364	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-118.5	6.6	-173.2	-63.3	-176.4	-35.7	0	0	113.4	R180 E181 S243 L244	R180-Q246 PolarHBondContact NH1-O 3.44Å; E181-Q246 PolarHBondContact OE1-NE2 3.25Å; E181-Q246 VanDerWaalsContact OE1-NE2 3.15Å; S243-Q246 PolarHBondContact O-N 3.15Å; L244-Q246 VanDerWaalsContact C-N 3.25Å; L244-Q246 PolarHBondContact O-N 2.88Å
247	T	49.4	Very low	59.3	Low	37 Å²	37	90.7 Å²	90.7	23%	0.227	45%	0.45	C	S	.	.	S	Bend	trans	-89.2	124	173	36.4	0	0	0	0	110.3	V242 L244 R249	V242-T247 HydrophobicContact CG1-CG2 4.3Å; L244-T247 PolarHBondContact O-OG1 3.14Å; T247-R249 PolarHBondContact O-N 2.81Å
248	P	47	Very low	57	Low	62 Å²	62	95.3 Å²	95.3	40%	0.403	48%	0.475	S	S	.	.			trans	-56.3	133.9	172.4	-21.4	31.6	0	0	0	110.1	T250 E251	P248-T250 PolarHBondContact O-N 2.9Å; P248-E251 PolarHBondContact O-N 2.85Å
249	R	44.5	Very low	55.3	Low	231 Å²	231	98.3 Å²	98.3	87%	0.872	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-52.7	-21.7	179.7	-84.8	-177.3	169.1	-178.3	-3.7	114	T247 E251 I252	T247-R249 PolarHBondContact O-N 2.81Å; R249-E251 VanDerWaalsContact C-N 3.34Å; R249-I252 HydrophobicContact CG-CD1 4.47Å
250	T	45.5	Very low	54.4	Low	131 Å²	131	101.4 Å²	101.4	80%	0.804	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-75	-15.2	177.4	43.7	0	0	0	0	114.7	P248	P248-T250 PolarHBondContact O-N 2.9Å
251	E	45.1	Very low	54	Low	112 Å²	112	102 Å²	102	52%	0.523	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-94.8	-5.5	176.1	-70.3	-179.5	176.9	0	0	113.1	R180 P248 R249 R253	R180-E251 IonicContact NH2-OE2 2.71Å; P248-E251 PolarHBondContact O-N 2.85Å; R249-E251 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 2.72Å
252	I	45.7	Very low	53.9	Low	100 Å²	100	99.5 Å²	99.5	51%	0.513	50%	0.504	S	S	.	.			trans	-76.9	72.9	173.3	-50.6	175.4	0	0	0	108.1	R249 S254	R249-I252 HydrophobicContact CG-CD1 4.47Å; I252-S254 PolarHBondContact O-N 2.94Å
253	R	40.7	Very low	54.1	Low	230 Å²	230	99.3 Å²	99.3	87%	0.868	50%	0.504	S	S	*	.			trans	-84.6	98.5	163.4	-82.2	-175.2	162.5	-161.2	-4.1	107.5	E251	E251-R253 PolarHBondContact O-N 2.72Å
254	S	38.3	Very low	55.1	Low	77 Å²	77	97.5 Å²	97.5	54%	0.538	49%	0.491	S	S	.	.			trans	78.3	128.7	175.4	-163.1	0	0	0	0	115.1	I252 T256	I252-S254 PolarHBondContact O-N 2.94Å; S254-T256 PolarHBondContact O-N 3.34Å
255	E	38.3	Very low	56.7	Low	196 Å²	196	93.5 Å²	93.5	92%	0.916	47%	0.469	S	S	*	.	S	Bend	trans	-68.9	58.5	165.3	-65.9	176.6	159.1	0	0	110.1
256	T	40	Very low	58.6	Low	63 Å²	63	85.7 Å²	85.7	39%	0.387	43%	0.428	S	S	.	.			trans	-106.4	149.3	165.8	55.5	0	0	0	0	109.5	S254 D258 S259	S254-T256 PolarHBondContact O-N 3.34Å; T256-D258 WeakPolarHBondContact CB-OD2 3.38Å; T256-D258 PolarHBondContact O-N 2.94Å; T256-D258 PolarHBondContact OG1-OD2 2.86Å; T256-S259 PolarHBondContact O-OG 3.1Å
257	Q	39.9	Very low	60.8	Low	174 Å²	174	82 Å²	82	81%	0.813	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-56.9	-3.8	-176.9	-137.1	150.6	-23.3	0	0	114.2	S259	Q257-S259 PolarHBondContact O-N 2.93Å
258	D	41.3	Very low	62.8	Low	99 Å²	99	80.2 Å²	80.2	53%	0.529	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-72.3	2.1	-178.8	-56	-48.4	0	0	0	114.9	T256 Q535	T256-D258 WeakPolarHBondContact CB-OD2 3.38Å; T256-D258 PolarHBondContact O-N 2.94Å; T256-D258 PolarHBondContact OG1-OD2 2.86Å; D258-Q535 PolarHBondContact O-NE2 3.16Å
259	S	56.3	Low	64.8	Low	65 Å²	65	77.3 Å²	77.3	46%	0.455	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-112.7	6.6	-166.6	54.5	0	0	0	0	116.2	T256 Q257	T256-S259 PolarHBondContact O-OG 3.1Å; Q257-S259 PolarHBondContact O-N 2.93Å
260	L	74.3	Confident	66.9	Low	68 Å²	68	66.7 Å²	66.7	36%	0.356	34%	0.343	S	S	.	.	S	Bend	trans	-97.8	-21.8	-173.8	-70.2	168.2	0	0	0	114.7	V242 L244	V242-L260 PolarHBondContact N-O 3.47Å; L244-L260 HydrophobicContact CD1-CD2 3.69Å; L244-L260 HydrophobicContact CD2-CD2 3.85Å; L244-L260 HydrophobicContact CG-CD2 3.73Å
261	C	85.3	Confident	68.7	Low	11 Å²	11	61.8 Å²	61.8	7%	0.074	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.7	-178	76	0	0	0	0	112	C231 P239 I240	C231-C261 WeakPolarHBondContact CA-SG 3.32Å; C231-C261 HydrophobicContact CB-CB 3.8Å; C231-C261 WeakPolarHBondContact CB-SG 3.42Å; C231-C261 WeakPolarHBondContact SG-CB 3.46Å; C231-C261 CovalentContact SG-SG 2.03Å; C231-C261 PolarHBondContact SG-SG 3.31Å; P239-C261 HydrophobicContact CB-CB 3.99Å; I240-C261 CarbonylContact O-C 3.51Å; I240-C261 WeakPolarHBondContact O-CA 3.38Å; I240-C261 WeakPolarHBondContact O-CB 3.2Å
262	M	88.9	Confident	69.6	Low	13 Å²	13	57.3 Å²	57.3	6%	0.064	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.3	164.3	-63.4	176.3	-67.6	0	0	109.8	R176 I240 V242 F264 L537 D538 A541	R176-M262 HydrophobicContact CB-CE 4.09Å; R176-M262 HydrophobicContact CG-CE 4.1Å; I240-M262 HydrophobicContact CB-CB 4.25Å; I240-M262 HydrophobicContact CB-CE 3.93Å; I240-M262 HydrophobicContact CD1-CE 4.16Å; I240-M262 HydrophobicContact CG2-CE 3.55Å; I240-M262 PolarHBondContact N-O 2.69Å; I240-M262 PolarHBondContact O-N 3.16Å; V242-M262 HydrophobicContact CG2-CG 4.45Å; M262-F264 PolarHBondContact O-N 2.77Å; M262-L537 HydrophobicContact CB-CD2 4.25Å; M262-D538 HydrophobicContact CE-CB 3.96Å; M262-D538 HydrophobicContact SD-CB 3.91Å; M262-A541 HydrophobicContact CE-CB 3.85Å
263	P	88.7	Confident	69.9	Low	21 Å²	21	54.3 Å²	54.3	14%	0.136	28%	0.282	C	S	.	.			trans	-66	136.6	-179.2	29.2	-36.2	0	0	0	110.9	C227 L537	C227-P263 VanDerWaalsContact O-CB 3.28Å; C227-P263 WeakPolarHBondContact O-CB 3.38Å; P263-L537 HydrophobicContact CG-CD2 4.06Å
264	F	90.3	Very high	70.6	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	26%	0.256	C	S	.	.			trans	-146	128.1	175.8	177.3	-77	0	0	0	109.7	F238 I240 M262 L542 Q545 R546 D549	F238-F264 HydrophobicContact CB-CD1 3.83Å; F238-F264 HydrophobicContact CB-CE1 4.19Å; F238-F264 HydrophobicContact CD1-CD1 4.31Å; F238-F264 HydrophobicContact CD1-CE1 4.07Å; F238-F264 HydrophobicContact CG-CD1 4.45Å; F238-F264 PolarHBondContact N-O 2.98Å; F238-F264 VanDerWaalsContact O-CB 3.29Å; F238-F264 WeakPolarHBondContact O-CB 3.4Å; F238-F264 WeakPolarHBondContact O-CD1 3.48Å; F238-F264 WeakPolarHBondContact O-CG 3.31Å; I240-F264 HydrophobicContact CD1-CB 4.5Å; I240-F264 HydrophobicContact CD1-CD2 4.2Å; I240-F264 HydrophobicContact CG1-CB 4.18Å; I240-F264 HydrophobicContact CG1-CD2 4.43Å; M262-F264 PolarHBondContact O-N 2.77Å; F264-L542 HydrophobicContact CD2-CD2 3.74Å; F264-L542 HydrophobicContact CE2-CD2 4.36Å; F264-Q545 HydrophobicContact CD1-CG 3.99Å; F264-Q545 HydrophobicContact CD2-CB 4.01Å; F264-Q545 HydrophobicContact CD2-CG 3.72Å; F264-Q545 HydrophobicContact CE1-CG 3.99Å; F264-Q545 HydrophobicContact CE2-CB 3.77Å; F264-Q545 HydrophobicContact CE2-CG 3.71Å; F264-Q545 HydrophobicContact CG-CG 3.86Å; F264-Q545 HydrophobicContact CZ-CB 4.21Å; F264-Q545 HydrophobicContact CZ-CG 3.85Å; F264-R546 HydrophobicContact CE2-CB 4.29Å; F264-R546 HydrophobicContact CZ-CB 4.27Å; F264-R546 VanDerWaalsContact CZ-NH1 3.31Å; F264-D549 HydrophobicContact CE1-CB 4.05Å; F264-D549 HydrophobicContact CZ-CB 4.01Å
265	Q	90.1	Very high	70.5	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.103	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-108.1	129.7	177.9	-171.4	147.7	4.4	0	0	109.1	Q214 S215 S217 R546	Q214-Q265 HydrophobicContact CB-CG 4.3Å; S215-Q265 PolarHBondContact O-NE2 2.93Å; S217-Q265 PolarHBondContact OG-NE2 2.92Å; Q265-R546 PolarHBondContact O-NH1 3.15Å; Q265-R546 PolarHBondContact O-NH2 3.19Å
266	R	93	Very high	70.9	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.015	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.6	155.6	177.2	-66.3	-171.1	69.3	-173.6	4.3	111.2	E156 S215 P236 F238 D549	E156-R266 VanDerWaalsContact O-CZ 3.27Å; E156-R266 PolarHBondContact O-NH1 2.89Å; E156-R266 PolarHBondContact O-NH2 3.13Å; S215-R266 WeakPolarHBondContact CB-O 3.26Å; S215-R266 PolarHBondContact N-O 3.03Å; S215-R266 PolarHBondContact OG-O 3.37Å; P236-R266 WeakPolarHBondContact O-CB 3.39Å; P236-R266 VanDerWaalsContact O-CG 3.32Å; P236-R266 WeakPolarHBondContact O-CG 3.47Å; P236-R266 PolarHBondContact O-N 2.89Å; F238-R266 HydrophobicContact CB-CG 3.79Å; R266-D549 WeakPolarHBondContact CA-OD2 3.38Å; R266-D549 WeakPolarHBondContact CB-OD1 3.5Å; R266-D549 WeakPolarHBondContact CG-OD1 3.36Å; R266-D549 IonicContact CZ-OD1 3.16Å; R266-D549 IonicContact NE-OD1 3.28Å; R266-D549 PolarHBondContact NE-OD1 3.12Å; R266-D549 IonicContact NH2-OD1 3.9Å; R266-D549 PolarHBondContact NH2-OD1 2.72Å
267	S	94.1	Very high	71.3	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-73.1	143.5	177.4	-68	0	0	0	0	110.7	T212 P213 S215 R281 R546 D549 H550	T212-S267 WeakPolarHBondContact CG2-OG 3.13Å; P213-S267 WeakPolarHBondContact O-CA 3.5Å; S215-S267 PolarHBondContact OG-O 3.21Å; S267-R281 PolarHBondContact O-NH2 2.94Å; S267-R546 VanDerWaalsContact N-NH1 3.1Å; S267-R546 VanDerWaalsContact OG-CD 3.3Å; S267-R546 WeakPolarHBondContact OG-CD 3.28Å; S267-R546 PolarHBondContact OG-NH1 3.02Å; S267-D549 PolarHBondContact N-OD2 2.88Å; S267-D549 PolarHBondContact OG-OD2 3.24Å; S267-H550 WeakPolarHBondContact CB-NE2 3.46Å; S267-H550 PolarHBondContact OG-NE2 3.34Å
268	T	90.9	Very high	72.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-54.2	129.9	175.8	-64.2	0	0	0	0	110.5	P213 Q214 S215 L284	P213-T268 PolarHBondContact O-N 2.71Å; P213-T268 PolarHBondContact O-OG1 2.93Å; Q214-T268 PolarHBondContact O-OG1 3.43Å; Q214-T268 VanDerWaalsContact O-OG1 3.06Å; S215-T268 WeakPolarHBondContact CA-OG1 3.25Å; S215-T268 PolarHBondContact N-OG1 3.38Å; T268-L284 HydrophobicContact CG2-CD2 4.48Å; T268-L284 PolarHBondContact O-N 3.19Å
269	P	90.4	Very high	73.7	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-78.8	144.2	174.3	32.4	-28.3	0	0	0	110.8	E63 H66 R281 Q282	E63-P269 WeakPolarHBondContact OE1-CD 3.46Å; H66-P269 HydrophobicContact CB-CG 4.32Å; H66-P269 VanDerWaalsContact CD2-CB 3.43Å; H66-P269 WeakPolarHBondContact CD2-CB 3.24Å; P269-R281 HydrophobicContact CB-CG 4.1Å; P269-R281 VanDerWaalsContact CD-NH2 3.28Å; P269-Q282 CarbonylContact C-O 3.58Å; P269-Q282 VanDerWaalsContact CA-O 3.28Å; P269-Q282 WeakPolarHBondContact CA-O 3.47Å
270	A	88.8	Confident	75.1	Confident	8 Å²	8	32.2 Å²	32.2	7%	0.066	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-76.4	153.8	162	0	0	0	0	0	110.1	H66 A142 C272 Q282 L284	H66-A270 PolarHBondContact NE2-O 3.2Å; A142-A270 HydrophobicContact CB-CB 3.74Å; A270-C272 PolarHBondContact O-N 3.29Å; A270-Q282 HydrophobicContact CB-CB 4.4Å; A270-Q282 PolarHBondContact N-O 3.23Å; A270-L284 HydrophobicContact CB-CD1 4.27Å
271	C	81.5	Confident	75.9	Confident	27 Å²	27	29 Å²	29	18%	0.182	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.4	131.2	170.7	-68.4	0	0	0	0	110.5	C104 S273	C104-C271 VanDerWaalsContact CA-SG 3.59Å; C104-C271 HydrophobicContact CB-CB 3.52Å; C104-C271 WeakPolarHBondContact CB-SG 3.5Å; C104-C271 WeakPolarHBondContact SG-CB 3.35Å; C104-C271 CovalentContact SG-SG 2.03Å; C104-C271 PolarHBondContact SG-SG 3.26Å; C271-S273 PolarHBondContact O-N 2.81Å
272	C	64.7	Low	76.3	Confident	19 Å²	19	29.1 Å²	29.1	13%	0.128	20%	0.202	C	C	.	.			trans	-90.8	65.2	178.3	-58.8	0	0	0	0	110.5	F65 A270	F65-C272 HydrophobicContact CE1-CB 3.82Å; F65-C272 HydrophobicContact CZ-CB 4.27Å; A270-C272 PolarHBondContact O-N 3.29Å
273	S	52.9	Low	76.5	Confident	36 Å²	36	28.5 Å²	28.5	25%	0.252	20%	0.199	S	C	.	.			trans	-99.7	-13.4	172.4	63.7	0	0	0	0	113.5	C271 A275	C271-S273 PolarHBondContact O-N 2.81Å; S273-A275 PolarHBondContact O-N 3.19Å
274	R	54.3	Low	76.7	Confident	86 Å²	86	27.7 Å²	27.7	33%	0.325	19%	0.193	S	C	.	.	S	Bend	trans	-73.9	118.8	-177.9	-66.2	-168	167.6	157	-0.2	111.3	E107 D135 G276	E107-R274 WeakPolarHBondContact OE1-CG 3.34Å; E107-R274 IonicContact OE1-NE 3.1Å; D135-R274 IonicContact OD2-NH2 3.66Å; D135-R274 PolarHBondContact OD2-NH2 3.08Å; R274-G276 PolarHBondContact O-N 3.44Å; R274-G276 VanDerWaalsContact O-N 3.1Å
275	A	37	Very low	77	Confident	95 Å²	95	27.5 Å²	27.5	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	108.1	174.4	0	0	0	0	0	110.3	S273	S273-A275 PolarHBondContact O-N 3.19Å
276	G	45.5	Very low	77.2	Confident	78 Å²	78	26.5 Å²	26.5	80%	0.804	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	140.3	-27.1	171.3	0	0	0	0	0	115.5	R274 G278	R274-G276 PolarHBondContact O-N 3.44Å; R274-G276 VanDerWaalsContact O-N 3.1Å; G276-G278 PolarHBondContact O-N 3.26Å
277	S	50.1	Low	77.4	Confident	45 Å²	45	26.3 Å²	26.3	32%	0.315	19%	0.187	S	C	.	.	S	Bend	trans	-79.1	101.7	163	55.5	0	0	0	0	107	M279	S277-M279 PolarHBondContact O-N 2.89Å
278	G	56	Low	77.5	Confident	55 Å²	55	26.2 Å²	26.2	57%	0.567	19%	0.186	S	C	*	.			trans	-42.5	131.8	163.3	0	0	0	0	0	107.3	G276 Q280	G276-G278 PolarHBondContact O-N 3.26Å; G278-Q280 WeakPolarHBondContact O-CB 3.29Å; G278-Q280 WeakPolarHBondContact O-CG 3.31Å; G278-Q280 PolarHBondContact O-N 2.81Å
279	M	73.8	Confident	77.9	Confident	42 Å²	42	26.3 Å²	26.3	21%	0.207	19%	0.187	C	C	.	.	S	Bend	trans	-57.8	25.9	-148.6	-58.8	178.4	-171.8	0	0	118	A86 S87 L95 S277	A86-M279 VanDerWaalsContact C-SD 3.58Å; A86-M279 HydrophobicContact CB-CB 4.04Å; A86-M279 HydrophobicContact CB-CG 4.43Å; A86-M279 HydrophobicContact CB-SD 3.5Å; A86-M279 WeakPolarHBondContact CB-SD 3.36Å; S87-M279 VanDerWaalsContact CA-SD 3.54Å; S87-M279 PolarHBondContact N-SD 2.81Å; S87-M279 WeakPolarHBondContact OG-CE 3.14Å; S87-M279 WeakPolarHBondContact OG-CG 3.18Å; S87-M279 PolarHBondContact OG-SD 3.14Å; L95-M279 HydrophobicContact CD1-CE 3.16Å; L95-M279 HydrophobicContact CD1-SD 3.65Å; S277-M279 PolarHBondContact O-N 2.89Å
280	Q	87	Confident	78.3	Confident	39 Å²	39	26.3 Å²	26.3	18%	0.182	19%	0.187	C	C	.	.			trans	-67.3	144.1	175.5	-54	-171.8	-55.8	0	0	112	A149 Y151 G154 E155 G278 Q282	A149-Q280 HydrophobicContact CB-CB 4.46Å; A149-Q280 PolarHBondContact O-NE2 3.04Å; A149-Q280 PolarHBondContact O-OE1 3.14Å; Y151-Q280 HydrophobicContact CD2-CB 4.38Å; Y151-Q280 HydrophobicContact CE2-CB 4.33Å; G154-Q280 WeakPolarHBondContact O-CG 3.36Å; G154-Q280 PolarHBondContact O-NE2 2.92Å; E155-Q280 CarbonylContact O-C 3.42Å; E155-Q280 WeakPolarHBondContact O-CA 3.49Å; G278-Q280 WeakPolarHBondContact O-CB 3.29Å; G278-Q280 WeakPolarHBondContact O-CG 3.31Å; G278-Q280 PolarHBondContact O-N 2.81Å; Q280-Q282 PolarHBondContact O-N 2.79Å; Q280-Q282 PolarHBondContact O-NE2 2.95Å; Q280-Q282 VanDerWaalsContact O-NE2 3.12Å
281	R	90.7	Very high	78.7	Confident	1 Å²	1	26 Å²	26	0%	0.004	18%	0.184	C	C	.	.			trans	-57.7	122.3	178	-174.7	-175.9	-177.8	90.4	0.5	111.9	R145 Y151 E155 E156 H235 S267 P269	R145-R281 PolarHBondContact NH2-O 3Å; Y151-R281 HydrophobicContact CE2-CB 4.04Å; Y151-R281 WeakPolarHBondContact CE2-O 3.04Å; Y151-R281 PolarHBondContact OH-O 2.85Å; E155-R281 PolarHBondContact O-N 2.99Å; E156-R281 HydrophobicContact CB-CB 3.8Å; E156-R281 IonicContact OE2-NH1 2.63Å; H235-R281 PolarHBondContact NE2-NH1 2.99Å; S267-R281 PolarHBondContact O-NH2 2.94Å; P269-R281 HydrophobicContact CB-CG 4.1Å; P269-R281 VanDerWaalsContact CD-NH2 3.28Å
282	Q	92.8	Very high	79.5	Confident	14 Å²	14	24.9 Å²	24.9	7%	0.065	18%	0.176	C	C	.	.			trans	-106	145.2	170.1	-55.7	-50.7	-41.3	0	0	110.4	A142 P269 A270 Q280	A142-Q282 HydrophobicContact CB-CB 4.01Å; P269-Q282 CarbonylContact C-O 3.58Å; P269-Q282 VanDerWaalsContact CA-O 3.28Å; P269-Q282 WeakPolarHBondContact CA-O 3.47Å; A270-Q282 HydrophobicContact CB-CB 4.4Å; A270-Q282 PolarHBondContact N-O 3.23Å; Q280-Q282 PolarHBondContact O-N 2.79Å; Q280-Q282 PolarHBondContact O-NE2 2.95Å; Q280-Q282 VanDerWaalsContact O-NE2 3.12Å
283	Q	94.3	Very high	81.1	Confident	0 Å²	0	24 Å²	24	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-96.7	145	178	-69.7	75.5	29.7	0	0	111.1	A142 L143 R145 Y151 T212 N447 D549	A142-Q283 WeakPolarHBondContact CA-O 3.45Å; L143-Q283 HydrophobicContact CD1-CB 4.29Å; L143-Q283 PolarHBondContact N-O 3.4Å; R145-Q283 VanDerWaalsContact NH2-OE1 3.1Å; Y151-Q283 PolarHBondContact OH-NE2 2.97Å; T212-Q283 HydrophobicContact CG2-CB 4.11Å; Q283-N447 PolarHBondContact OE1-ND2 3.06Å; Q283-D549 PolarHBondContact NE2-O 2.97Å
284	L	93.3	Very high	83.3	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	142.3	179.7	-163.5	73	0	0	0	111.6	I58 N140 T212 P213 T268 A270	I58-L284 HydrophobicContact CG2-CD1 4.3Å; I58-L284 HydrophobicContact CG2-CD2 4.27Å; N140-L284 VanDerWaalsContact C-CD1 3.41Å; N140-L284 WeakPolarHBondContact O-CD1 3.48Å; T212-L284 WeakPolarHBondContact CA-O 3.48Å; T212-L284 WeakPolarHBondContact CG2-O 3Å; T212-L284 PolarHBondContact OG1-O 3.21Å; P213-L284 HydrophobicContact CG-CD2 4.36Å; T268-L284 HydrophobicContact CG2-CD2 4.48Å; T268-L284 PolarHBondContact O-N 3.19Å; A270-L284 HydrophobicContact CB-CD1 4.27Å
285	N	95.7	Very high	85.3	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.2	157.6	-169	12.2	0	0	0	108.7	N140 T141 L143 V209 T210 L211 V287 S289	N140-N285 WeakPolarHBondContact CA-O 3.14Å; N140-N285 PolarHBondContact N-O 2.93Å; T141-N285 PolarHBondContact N-O 3.38Å; T141-N285 PolarHBondContact O-N 3.15Å; L143-N285 HydrophobicContact CD2-CB 3.81Å; L143-N285 HydrophobicContact CG-CB 4.12Å; V209-N285 PolarHBondContact O-ND2 3.34Å; T210-N285 WeakPolarHBondContact CA-OD1 3.39Å; L211-N285 PolarHBondContact N-OD1 3.24Å; L211-N285 PolarHBondContact O-OD1 2.77Å; N285-V287 PolarHBondContact ND2-O 2.98Å; N285-V287 WeakPolarHBondContact OD1-CG2 3.45Å; N285-S289 PolarHBondContact ND2-OG 3.17Å
286	A	94.4	Very high	88.2	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	11%	0.109	C	C	.	.			trans	-79	-18.1	-176.3	0	0	0	0	0	113.8	T55 A139 L211 P213 H299	T55-A286 HydrophobicContact CG2-CB 3.81Å; A139-A286 WeakPolarHBondContact CB-O 3.25Å; L211-A286 HydrophobicContact CB-CB 4.39Å; L211-A286 HydrophobicContact CD2-CB 4.35Å; L211-A286 HydrophobicContact CG-CB 4.2Å; L211-A286 PolarHBondContact O-N 2.82Å; P213-A286 HydrophobicContact CG-CB 3.67Å; A286-H299 PolarHBondContact O-CD2 2.99Å
287	V	96.4	Very high	90.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-106.9	164.3	178.9	-63.2	0	0	0	0	111	A139 L211 N285 H299	A139-V287 WeakPolarHBondContact CA-O 3.31Å; L211-V287 HydrophobicContact CB-CB 4.46Å; L211-V287 HydrophobicContact CB-CG1 3.8Å; L211-V287 HydrophobicContact CB-CG2 3.93Å; L211-V287 HydrophobicContact CD2-CG1 3.97Å; N285-V287 PolarHBondContact ND2-O 2.98Å; N285-V287 WeakPolarHBondContact OD1-CG2 3.45Å; V287-H299 HydrophobicContact CB-CB 4.49Å; V287-H299 HydrophobicContact CG1-CB 4.49Å
288	S	97.3	Very high	92.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.056	C	C	.	.			trans	-62.4	150.9	170.1	49.6	0	0	0	0	109.8	G137 D208 D292 S294	G137-S288 WeakPolarHBondContact O-CA 3.24Å; D208-S288 VanDerWaalsContact O-O 3.06Å; S288-D292 PolarHBondContact OG-OD1 3.25Å; S288-D292 PolarHBondContact OG-OD2 3.36Å; S288-S294 WeakPolarHBondContact OG-CB 3.29Å
289	S	98.4	Very high	94.8	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.007	3%	0.03	C	C	.	.	S	Bend	trans	-85.3	-13.4	177.2	-57.5	0	0	0	0	112.7	G137 V209 N285 S443 A445 L628	G137-S289 PolarHBondContact O-N 2.95Å; V209-S289 WeakPolarHBondContact CG1-O 3.33Å; N285-S289 PolarHBondContact ND2-OG 3.17Å; S289-S443 VanDerWaalsContact CB-O 3.27Å; S289-S443 WeakPolarHBondContact CB-O 3.33Å; S289-A445 PolarHBondContact OG-N 2.97Å; S289-L628 WeakPolarHBondContact O-CD2 2.99Å
290	F	98.6	Very high	95.6	Very high	1 Å²	1	4.2 Å²	4.2	0%	0.004	2%	0.021	C	C	.	.	S	Bend	trans	-71.3	151.5	-178	-53.7	-72.6	0	0	0	111.4	N129 W136 G137 D292 S443 D632	N129-F290 HydrophobicContact CB-CE1 3.91Å; N129-F290 HydrophobicContact CB-CE2 3.8Å; N129-F290 HydrophobicContact CB-CZ 3.29Å; N129-F290 WeakPolarHBondContact ND2-CE1 3.36Å; N129-F290 WeakPolarHBondContact ND2-CZ 3.32Å; W136-F290 WeakPolarHBondContact O-CZ 3.34Å; G137-F290 WeakPolarHBondContact O-CE2 3.23Å; F290-D292 VanDerWaalsContact C-N 3.29Å; F290-D292 HydrophobicContact CB-CB 3.99Å; F290-D292 PolarHBondContact O-N 3.04Å; F290-D292 VanDerWaalsContact O-N 3.07Å; F290-S443 WeakPolarHBondContact CE1-OG 3.48Å; F290-S443 WeakPolarHBondContact CZ-OG 3.21Å; F290-D632 HydrophobicContact CD1-CB 4.01Å; F290-D632 HydrophobicContact CE1-CB 4.32Å
291	I	98.8	Very high	95.8	Very high	3 Å²	3	4.9 Å²	4.9	2%	0.015	3%	0.029	C	C	.	.	S	Bend	trans	-79.8	86.8	162.9	-58.9	167.3	0	0	0	106.7	I205 V209 H409 Q410 T413 M625 L628	I205-I291 HydrophobicContact CD1-CG2 3.91Å; V209-I291 HydrophobicContact CG2-CG1 4.14Å; I291-H409 HydrophobicContact CG2-CB 3.77Å; I291-Q410 HydrophobicContact CB-CG 4.01Å; I291-Q410 HydrophobicContact CG2-CG 3.84Å; I291-Q410 VanDerWaalsContact O-CG 3.24Å; I291-Q410 WeakPolarHBondContact O-CG 3.08Å; I291-Q410 PolarHBondContact O-NE2 2.04Å; I291-T413 HydrophobicContact CD1-CG2 3.99Å; I291-M625 HydrophobicContact CD1-SD 4.35Å; I291-L628 HydrophobicContact CG1-CD1 4.45Å
292	D	98.4	Very high	95.7	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.016	4%	0.043	C	C	.	.	S	Bend	trans	-132.5	10.4	-171.7	69.1	4.6	0	0	0	114.1	D208 S288 F290 S294	D208-D292 PolarHBondContact OD2-N 2.95Å; D208-D292 VanDerWaalsContact OD2-N 3.16Å; S288-D292 PolarHBondContact OG-OD1 3.25Å; S288-D292 PolarHBondContact OG-OD2 3.36Å; F290-D292 VanDerWaalsContact C-N 3.29Å; F290-D292 HydrophobicContact CB-CB 3.99Å; F290-D292 PolarHBondContact O-N 3.04Å; F290-D292 VanDerWaalsContact O-N 3.07Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 2.89Å; D292-S294 VanDerWaalsContact OD1-CB 3.26Å; D292-S294 WeakPolarHBondContact OD1-CB 3.31Å; D292-S294 PolarHBondContact OD1-N 3.34Å
293	A	98.6	Very high	95.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.			trans	60.3	32.4	-176.6	0	0	0	0	0	113.4	D208 L295 V296 Y297 V405	D208-A293 WeakPolarHBondContact OD1-CA 3.44Å; D208-A293 PolarHBondContact OD1-N 3.13Å; D208-A293 WeakPolarHBondContact OD2-CA 3.4Å; D208-A293 PolarHBondContact OD2-N 2.94Å; A293-L295 PolarHBondContact O-N 3.38Å; A293-V296 HydrophobicContact CB-CB 4.39Å; A293-V296 HydrophobicContact CB-CG2 4.19Å; A293-V296 WeakPolarHBondContact O-CA 3.49Å; A293-V296 WeakPolarHBondContact O-CB 3.39Å; A293-V296 PolarHBondContact O-N 2.71Å; A293-Y297 HydrophobicContact CB-CD2 3.88Å; A293-Y297 HydrophobicContact CB-CE2 3.76Å; A293-Y297 WeakPolarHBondContact O-CD2 3.13Å; A293-Y297 PolarHBondContact O-N 3.17Å; A293-V405 HydrophobicContact CB-CG1 3.99Å
294	S	97.7	Very high	95.7	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.014	5%	0.046	C	C	.	.	H	α-helix	trans	-53	-30.6	169.9	72.8	0	0	0	0	112.8	D208 S288 D292 V296 Y297 G298 G357	D208-S294 PolarHBondContact O-OG 3.42Å; D208-S294 VanDerWaalsContact O-OG 3.12Å; D208-S294 PolarHBondContact OD1-N 3.35Å; D208-S294 PolarHBondContact OD1-OG 3.39Å; D208-S294 VanDerWaalsContact OD1-OG 3.11Å; S288-S294 WeakPolarHBondContact OG-CB 3.29Å; D292-S294 VanDerWaalsContact C-N 3.28Å; D292-S294 PolarHBondContact O-N 2.89Å; D292-S294 VanDerWaalsContact OD1-CB 3.26Å; D292-S294 WeakPolarHBondContact OD1-CB 3.31Å; D292-S294 PolarHBondContact OD1-N 3.34Å; S294-V296 PolarHBondContact O-N 3.04Å; S294-Y297 PolarHBondContact O-N 3Å; S294-G298 CarbonylContact O-C 3.57Å; S294-G298 VanDerWaalsContact O-CA 3.23Å; S294-G298 WeakPolarHBondContact O-CA 3.46Å; S294-G298 PolarHBondContact O-N 3.03Å; S294-G357 WeakPolarHBondContact O-CA 3.49Å
295	L	96.9	Very high	95.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.5	-18	173.2	64.4	77.9	0	0	0	113.5	Y204 H207 D208 A293 G357 E358 H371	Y204-L295 HydrophobicContact CD1-CD2 4.25Å; Y204-L295 HydrophobicContact CD2-CD1 4.26Å; Y204-L295 HydrophobicContact CD2-CD2 4.15Å; Y204-L295 HydrophobicContact CE1-CD1 4.06Å; Y204-L295 HydrophobicContact CE1-CD2 4.08Å; Y204-L295 HydrophobicContact CE2-CD1 3.35Å; Y204-L295 HydrophobicContact CE2-CD2 3.98Å; Y204-L295 HydrophobicContact CE2-CG 4.38Å; Y204-L295 HydrophobicContact CG-CD2 4.29Å; Y204-L295 WeakPolarHBondContact O-CD2 3.43Å; Y204-L295 WeakPolarHBondContact OH-CD1 3.32Å; H207-L295 HydrophobicContact CB-CD2 4.37Å; D208-L295 HydrophobicContact CB-CD2 3.69Å; D208-L295 HydrophobicContact CB-CG 4.26Å; D208-L295 PolarHBondContact OD1-N 3.16Å; D208-L295 VanDerWaalsContact OD1-N 3.16Å; A293-L295 PolarHBondContact O-N 3.38Å; L295-G357 VanDerWaalsContact O-CA 3.23Å; L295-G357 WeakPolarHBondContact O-CA 3.33Å; L295-G357 PolarHBondContact O-N 2.87Å; L295-E358 HydrophobicContact CB-CG 3.86Å; L295-H371 PolarHBondContact O-CE1 3.07Å; L295-H371 PolarHBondContact O-ND1 3.03Å
296	V	98.5	Very high	95.4	Very high	10 Å²	10	12.1 Å²	12.1	6%	0.061	7%	0.067	C	C	.	.	H	α-helix	trans	-94.8	-46.3	173.7	-177.2	0	0	0	0	109.8	A293 S294 L317 W374	A293-V296 HydrophobicContact CB-CB 4.39Å; A293-V296 HydrophobicContact CB-CG2 4.19Å; A293-V296 WeakPolarHBondContact O-CA 3.49Å; A293-V296 WeakPolarHBondContact O-CB 3.39Å; A293-V296 PolarHBondContact O-N 2.71Å; S294-V296 PolarHBondContact O-N 3.04Å; V296-L317 HydrophobicContact CG1-CD1 3.76Å; V296-W374 HydrophobicContact CG2-CB 3.87Å
297	Y	98.3	Very high	95.5	Very high	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-96.7	-11.5	-167.1	-62.2	-64.5	0	0	0	115.1	A293 S294 Q304 L317 H378 F398 R402 V405	A293-Y297 HydrophobicContact CB-CD2 3.88Å; A293-Y297 HydrophobicContact CB-CE2 3.76Å; A293-Y297 WeakPolarHBondContact O-CD2 3.13Å; A293-Y297 PolarHBondContact O-N 3.17Å; S294-Y297 PolarHBondContact O-N 3Å; Y297-Q304 WeakPolarHBondContact O-CA 3.45Å; Y297-Q304 WeakPolarHBondContact O-CB 3.28Å; Y297-L317 HydrophobicContact CD1-CD2 4.16Å; Y297-L317 HydrophobicContact CE1-CD1 4.05Å; Y297-L317 HydrophobicContact CE1-CD2 4.27Å; Y297-L317 HydrophobicContact CE1-CG 4.47Å; Y297-H378 AromaticContact CE1-CE1 3.69Å; Y297-H378 AromaticContact CE1-ND1 3.29Å; Y297-H378 VanDerWaalsContact CE1-ND1 3.29Å; Y297-H378 WeakPolarHBondContact CE1-ND1 3.36Å; Y297-H378 AromaticContact CZ-ND1 3.53Å; Y297-H378 PolarHBondContact OH-ND1 3.19Å; Y297-F398 AromaticContact CD1-CE2 3.99Å; Y297-F398 HydrophobicContact CD1-CE2 3.99Å; Y297-F398 AromaticContact CD1-CZ 3.92Å; Y297-F398 HydrophobicContact CD1-CZ 3.92Å; Y297-F398 HydrophobicContact CE1-CE2 4.18Å; Y297-F398 HydrophobicContact CE1-CZ 4.45Å; Y297-R402 HydrophobicContact CD1-CB 4.38Å; Y297-R402 HydrophobicContact CD1-CG 4.25Å; Y297-R402 HydrophobicContact CD2-CB 4.43Å; Y297-R402 HydrophobicContact CD2-CG 3.69Å; Y297-R402 HydrophobicContact CE1-CB 3.99Å; Y297-R402 HydrophobicContact CE1-CG 4.25Å; Y297-R402 HydrophobicContact CE2-CB 4.05Å; Y297-R402 HydrophobicContact CE2-CG 3.69Å; Y297-R402 HydrophobicContact CG-CG 4Å; Y297-R402 WeakPolarHBondContact OH-CA 3.3Å; Y297-V405 HydrophobicContact CE2-CB 4.19Å; Y297-V405 HydrophobicContact CE2-CG1 3.95Å; Y297-V405 VanDerWaalsContact OH-CB 3.25Å; Y297-V405 WeakPolarHBondContact OH-CB 3.5Å; Y297-V405 WeakPolarHBondContact OH-CG2 3.43Å
298	G	96.1	Very high	95.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.			trans	87.1	174.9	-169.1	0	0	0	0	0	112.7	I124 S294 G357	I124-G298 WeakPolarHBondContact CD1-O 3.38Å; S294-G298 CarbonylContact O-C 3.57Å; S294-G298 VanDerWaalsContact O-CA 3.23Å; S294-G298 WeakPolarHBondContact O-CA 3.46Å; S294-G298 PolarHBondContact O-N 3.03Å; G298-G357 VanDerWaalsContact N-CA 3.33Å
299	H	94.4	Very high	95.4	Very high	7 Å²	7	16.6 Å²	16.6	3%	0.032	9%	0.089	C	C	.	.	S	Bend	trans	-129.4	6.5	-179.2	49.4	-83.6	0	0	0	112.1	I124 S125 A139 A286 V287 G357	I124-H299 WeakPolarHBondContact O-CA 2.97Å; S125-H299 WeakPolarHBondContact CA-O 3.35Å; A139-H299 HydrophobicContact CB-CB 4.05Å; A286-H299 PolarHBondContact O-CD2 2.99Å; V287-H299 HydrophobicContact CB-CB 4.49Å; V287-H299 HydrophobicContact CG1-CB 4.49Å; H299-G357 PolarHBondContact ND1-O 2.93Å
300	T	92.1	Very high	95	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	-134.9	152.1	174	68.6	0	0	0	0	110.2	Q52 Q54 Q302 L303 Q304	Q52-T300 HydrophobicContact CB-CG2 4.46Å; Q54-T300 HydrophobicContact CB-CG2 4.45Å; T300-Q302 VanDerWaalsContact C-N 3.32Å; T300-Q302 PolarHBondContact O-N 3.3Å; T300-L303 PolarHBondContact O-N 2.85Å; T300-L303 WeakPolarHBondContact OG1-CB 3.18Å; T300-L303 PolarHBondContact OG1-N 3.44Å; T300-Q304 PolarHBondContact O-N 3Å
301	P	89.5	Confident	94.4	Very high	53 Å²	53	24 Å²	24	34%	0.344	14%	0.137	S	C	.	.	H	α-helix	trans	-58.1	-40	178	-27	35.7	0	0	0	113.8	I124 S305 H735	I124-P301 HydrophobicContact CG2-CB 4.42Å; I124-P301 HydrophobicContact CG2-CG 3.83Å; P301-S305 WeakPolarHBondContact O-CB 3.24Å; P301-S305 PolarHBondContact O-N 3.14Å; P301-H735 HydrophobicContact CB-CB 4.33Å
302	Q	89.8	Confident	93.8	Very high	64 Å²	64	25.8 Å²	25.8	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-61.4	-49.2	176.5	179.6	67.7	67.5	0	0	111.5	T300 Q304 S305 D306 H735	T300-Q302 VanDerWaalsContact C-N 3.32Å; T300-Q302 PolarHBondContact O-N 3.3Å; Q302-Q304 VanDerWaalsContact C-N 3.34Å; Q302-Q304 PolarHBondContact O-N 2.66Å; Q302-S305 WeakPolarHBondContact O-CB 3.49Å; Q302-S305 PolarHBondContact O-N 2.77Å; Q302-D306 PolarHBondContact NE2-OD1 2.76Å; Q302-D306 VanDerWaalsContact O-CG 3.29Å; Q302-D306 PolarHBondContact O-N 2.87Å; Q302-H735 PolarHBondContact OE1-CD2 2.95Å; Q302-H735 PolarHBondContact OE1-NE2 3.31Å
303	L	92.1	Very high	93.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-41.2	-178.1	179.7	52.8	0	0	0	111.8	Q52 T300 S305 D306 L307 G357	Q52-L303 HydrophobicContact CG-CB 3.83Å; Q52-L303 HydrophobicContact CG-CD2 3.86Å; Q52-L303 HydrophobicContact CG-CG 4.29Å; T300-L303 PolarHBondContact O-N 2.85Å; T300-L303 WeakPolarHBondContact OG1-CB 3.18Å; T300-L303 PolarHBondContact OG1-N 3.44Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.79Å; L303-D306 PolarHBondContact O-N 3.09Å; L303-L307 HydrophobicContact CD1-CD1 3.75Å; L303-L307 HydrophobicContact CD1-CG 3.96Å; L303-L307 HydrophobicContact CG-CD1 3.77Å; L303-L307 HydrophobicContact CG-CG 4.43Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 WeakPolarHBondContact O-CD1 3.2Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.01Å; L303-G357 VanDerWaalsContact CD2-O 3.27Å; L303-G357 WeakPolarHBondContact CD2-O 3.42Å
304	Q	93.8	Very high	92.9	Very high	24 Å²	24	32.4 Å²	32.4	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-45	174.7	175.9	-177.7	77.4	0	0	111.6	I124 Y297 T300 Q302 D306 L307 R308 F398	I124-Q304 HydrophobicContact CD1-CB 4.17Å; I124-Q304 HydrophobicContact CD1-CG 4.38Å; I124-Q304 VanDerWaalsContact CD1-NE2 3.26Å; I124-Q304 HydrophobicContact CG1-CB 3.87Å; I124-Q304 HydrophobicContact CG1-CG 4.45Å; Y297-Q304 WeakPolarHBondContact O-CA 3.45Å; Y297-Q304 WeakPolarHBondContact O-CB 3.28Å; T300-Q304 PolarHBondContact O-N 3Å; Q302-Q304 VanDerWaalsContact C-N 3.34Å; Q302-Q304 PolarHBondContact O-N 2.66Å; Q304-D306 VanDerWaalsContact C-N 3.27Å; Q304-D306 PolarHBondContact O-N 3.24Å; Q304-L307 PolarHBondContact O-N 3.44Å; Q304-R308 HydrophobicContact CG-CG 4.48Å; Q304-R308 WeakPolarHBondContact O-CD 3.36Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.3Å; Q304-R308 PolarHBondContact O-N 3.32Å; Q304-F398 HydrophobicContact CG-CE1 4.34Å; Q304-F398 HydrophobicContact CG-CZ 4.02Å
305	S	91.9	Very high	92.8	Very high	19 Å²	19	32.5 Å²	32.5	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-46	176.5	-171.6	0	0	0	0	111.1	P301 Q302 L303 L307 R308 L310	P301-S305 WeakPolarHBondContact O-CB 3.24Å; P301-S305 PolarHBondContact O-N 3.14Å; Q302-S305 WeakPolarHBondContact O-CB 3.49Å; Q302-S305 PolarHBondContact O-N 2.77Å; L303-S305 VanDerWaalsContact C-N 3.34Å; L303-S305 PolarHBondContact O-N 2.79Å; S305-L307 VanDerWaalsContact C-N 3.29Å; S305-L307 PolarHBondContact O-N 2.87Å; S305-R308 PolarHBondContact O-N 2.76Å; S305-L310 WeakPolarHBondContact OG-CD1 3.46Å
306	D	91.4	Very high	92.8	Very high	61 Å²	61	34.8 Å²	34.8	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-70	-22.1	-179	-68.8	-0.8	0	0	0	114.5	Q302 L303 Q304 R355	Q302-D306 PolarHBondContact NE2-OD1 2.76Å; Q302-D306 VanDerWaalsContact O-CG 3.29Å; Q302-D306 PolarHBondContact O-N 2.87Å; L303-D306 PolarHBondContact O-N 3.09Å; Q304-D306 VanDerWaalsContact C-N 3.27Å; Q304-D306 PolarHBondContact O-N 3.24Å; D306-R355 VanDerWaalsContact CB-CZ 3.4Å; D306-R355 IonicContact OD2-CZ 2.68Å; D306-R355 IonicContact OD2-NH1 2.71Å; D306-R355 PolarHBondContact OD2-NH1 3.06Å; D306-R355 IonicContact OD2-NH2 3.12Å; D306-R355 PolarHBondContact OD2-NH2 3.34Å
307	L	96.3	Very high	92.8	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-89.3	-7.3	178.6	-69.7	168.9	0	0	0	112.6	L303 Q304 S305 L317 A318 R355	L303-L307 HydrophobicContact CD1-CD1 3.75Å; L303-L307 HydrophobicContact CD1-CG 3.96Å; L303-L307 HydrophobicContact CG-CD1 3.77Å; L303-L307 HydrophobicContact CG-CG 4.43Å; L303-L307 WeakPolarHBondContact O-CB 3.48Å; L303-L307 WeakPolarHBondContact O-CD1 3.2Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.01Å; Q304-L307 PolarHBondContact O-N 3.44Å; S305-L307 VanDerWaalsContact C-N 3.29Å; S305-L307 PolarHBondContact O-N 2.87Å; L307-L317 HydrophobicContact CB-CD2 4.41Å; L307-L317 CarbonylContact O-C 3.47Å; L307-L317 WeakPolarHBondContact O-CA 3.46Å; L307-L317 WeakPolarHBondContact O-CD2 3.32Å; L307-A318 PolarHBondContact O-N 3.28Å; L307-R355 HydrophobicContact CD2-CG 4.11Å
308	R	96.3	Very high	92.8	Very high	26 Å²	26	35.6 Å²	35.6	10%	0.098	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-98.3	146.9	-177.4	-73.6	170.8	65.4	170.7	2.8	112	Q304 S305 L310 L317 E395 F398	Q304-R308 HydrophobicContact CG-CG 4.48Å; Q304-R308 WeakPolarHBondContact O-CD 3.36Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.3Å; Q304-R308 PolarHBondContact O-N 3.32Å; S305-R308 PolarHBondContact O-N 2.76Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 HydrophobicContact CB-CD2 3.73Å; R308-L310 HydrophobicContact CB-CG 3.97Å; R308-L310 PolarHBondContact O-N 3.37Å; R308-L310 VanDerWaalsContact O-N 3.14Å; R308-L317 HydrophobicContact CG-CD2 4.42Å; R308-E395 IonicContact CZ-OE2 3.74Å; R308-E395 IonicContact NH1-OE1 3.58Å; R308-E395 IonicContact NH1-OE2 3.54Å; R308-E395 PolarHBondContact NH1-OE2 2.96Å; R308-E395 IonicContact NH2-OE2 3.56Å; R308-E395 PolarHBondContact NH2-OE2 2.63Å; R308-F398 HydrophobicContact CG-CD2 4.06Å; R308-F398 HydrophobicContact CG-CE2 3.62Å; R308-F398 HydrophobicContact CG-CZ 4.01Å
309	D	95	Very high	92.9	Very high	60 Å²	60	38.5 Å²	38.5	32%	0.321	22%	0.222	S	C	.	.			trans	-83.4	77.6	165.2	177.6	19.7	0	0	0	109.6	S311 G312 K316	D309-S311 VanDerWaalsContact C-N 3.34Å; D309-G312 PolarHBondContact OD1-N 3.24Å; D309-K316 HydrophobicContact CB-CB 4.46Å; D309-K316 PolarHBondContact N-O 3.31Å
310	L	90.3	Very high	93	Very high	39 Å²	39	38.3 Å²	38.3	20%	0.204	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.4	-179.3	-61.1	178.6	0	0	0	112.1	S305 R308 R313 F734	S305-L310 WeakPolarHBondContact OG-CD1 3.46Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-L310 HydrophobicContact CB-CD2 3.73Å; R308-L310 HydrophobicContact CB-CG 3.97Å; R308-L310 PolarHBondContact O-N 3.37Å; R308-L310 VanDerWaalsContact O-N 3.14Å; L310-R313 PolarHBondContact O-N 2.95Å; L310-F734 HydrophobicContact CB-CD2 4.41Å; L310-F734 HydrophobicContact CB-CE2 4.09Å; L310-F734 HydrophobicContact CD1-CB 4.35Å; L310-F734 HydrophobicContact CD1-CD2 3.79Å; L310-F734 HydrophobicContact CD1-CE2 4.25Å; L310-F734 HydrophobicContact CD1-CG 4Å; L310-F734 HydrophobicContact CD2-CD1 4.25Å; L310-F734 HydrophobicContact CD2-CD2 4.3Å; L310-F734 HydrophobicContact CD2-CE1 3.99Å; L310-F734 HydrophobicContact CD2-CE2 4.05Å; L310-F734 HydrophobicContact CD2-CG 4.42Å; L310-F734 HydrophobicContact CD2-CZ 3.9Å; L310-F734 HydrophobicContact CG-CD2 4.4Å; L310-F734 HydrophobicContact CG-CE2 4.36Å
311	S	86.6	Confident	93.1	Very high	117 Å²	117	42.2 Å²	42.2	82%	0.818	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-38	180	-54.8	0	0	0	0	112.4	D309 R313	D309-S311 VanDerWaalsContact C-N 3.34Å; S311-R313 PolarHBondContact O-N 3.07Å
312	G	85.8	Confident	93.3	Very high	42 Å²	42	47 Å²	47	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.9	179.1	0	0	0	0	0	114.7	D309 S314	D309-G312 PolarHBondContact OD1-N 3.24Å; G312-S314 PolarHBondContact O-N 2.96Å
313	R	86.3	Confident	93.6	Very high	114 Å²	114	46.7 Å²	46.7	43%	0.43	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	40.3	-178.5	-65.4	-172.4	171.1	173	-0.1	112.8	L310 S311 P394 P712 V713 D714	L310-R313 PolarHBondContact O-N 2.95Å; S311-R313 PolarHBondContact O-N 3.07Å; R313-P394 HydrophobicContact CB-CG 3.96Å; R313-P394 WeakPolarHBondContact O-CG 3.4Å; R313-P712 VanDerWaalsContact NH1-CB 3.29Å; R313-V713 PolarHBondContact NH2-O 3.33Å; R313-D714 IonicContact CZ-OD1 2.91Å; R313-D714 IonicContact NH2-OD1 3.89Å; R313-D714 PolarHBondContact NH2-OD1 3.16Å
314	S	90.9	Very high	93.8	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	30%	0.296	C	S	.	.	S	Bend	trans	-111.5	-9.4	-174.8	61.7	0	0	0	0	113.4	G312 K316	G312-S314 PolarHBondContact O-N 2.96Å; S314-K316 VanDerWaalsContact C-N 3.3Å; S314-K316 WeakPolarHBondContact OG-CB 3.43Å; S314-K316 WeakPolarHBondContact OG-CG 3.49Å
315	G	95.6	Very high	93.9	Very high	4 Å²	4	51.6 Å²	51.6	4%	0.041	29%	0.293	C	S	.	.	S	Bend	trans	76.3	15.8	-173.4	0	0	0	0	0	113.9	H378 P394 F398	G315-H378 PolarHBondContact O-NE2 3.42Å; G315-H378 VanDerWaalsContact O-NE2 3.11Å; G315-P394 WeakPolarHBondContact CA-O 3.32Å; G315-F398 WeakPolarHBondContact O-CA 3.34Å; G315-F398 WeakPolarHBondContact O-CB 3.37Å
316	K	98.1	Very high	93.8	Very high	47 Å²	47	59.3 Å²	59.3	20%	0.204	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-90	163.8	-178.7	-69.1	-177.1	-172	-171.8	0	113.6	D309 S314 N379 A382 D383	D309-K316 HydrophobicContact CB-CB 4.46Å; D309-K316 PolarHBondContact N-O 3.31Å; S314-K316 VanDerWaalsContact C-N 3.3Å; S314-K316 WeakPolarHBondContact OG-CB 3.43Å; S314-K316 WeakPolarHBondContact OG-CG 3.49Å; K316-N379 WeakPolarHBondContact CB-OD1 3.39Å; K316-N379 HydrophobicContact CD-CB 4.44Å; K316-N379 HydrophobicContact CG-CB 4.46Å; K316-A382 HydrophobicContact CG-CB 4.06Å; K316-D383 WeakPolarHBondContact CE-OD1 3.4Å; K316-D383 VanDerWaalsContact CE-OD2 3.3Å; K316-D383 WeakPolarHBondContact CE-OD2 3.3Å; K316-D383 IonicContact NZ-OD1 3.38Å; K316-D383 PolarHBondContact NZ-OD1 3.32Å; K316-D383 IonicContact NZ-OD2 2.66Å; K316-D383 PolarHBondContact NZ-OD2 3.3Å
317	L	98.5	Very high	93.8	Very high	5 Å²	5	61.3 Å²	61.3	3%	0.026	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-80.7	146.3	163.8	-66.4	172.2	0	0	0	110.9	V296 Y297 L307 R308 L375 H378 N379 F398	V296-L317 HydrophobicContact CG1-CD1 3.76Å; Y297-L317 HydrophobicContact CD1-CD2 4.16Å; Y297-L317 HydrophobicContact CE1-CD1 4.05Å; Y297-L317 HydrophobicContact CE1-CD2 4.27Å; Y297-L317 HydrophobicContact CE1-CG 4.47Å; L307-L317 HydrophobicContact CB-CD2 4.41Å; L307-L317 CarbonylContact O-C 3.47Å; L307-L317 WeakPolarHBondContact O-CA 3.46Å; L307-L317 WeakPolarHBondContact O-CD2 3.32Å; R308-L317 HydrophobicContact CG-CD2 4.42Å; L317-L375 HydrophobicContact CB-CD1 3.59Å; L317-L375 HydrophobicContact CD1-CD1 3.91Å; L317-L375 HydrophobicContact CG-CD1 4.4Å; L317-H378 HydrophobicContact CD1-CB 3.83Å; L317-H378 HydrophobicContact CG-CB 4.47Å; L317-N379 PolarHBondContact N-OD1 3.37Å; L317-N379 PolarHBondContact O-ND2 3.06Å; L317-F398 HydrophobicContact CD2-CE2 3.96Å
318	A	97.7	Very high	93.7	Very high	23 Å²	23	62.8 Å²	62.8	19%	0.19	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.9	174.3	0	0	0	0	0	110.8	L307 P333	L307-A318 PolarHBondContact O-N 3.28Å; A318-P333 WeakPolarHBondContact O-CD 3.31Å
319	V	97.7	Very high	93.7	Very high	61 Å²	61	63.8 Å²	63.8	37%	0.37	35%	0.348	S	S	.	.			trans	-125.1	165.5	-176.5	-58.8	0	0	0	0	111	G321 P330 L375	V319-G321 PolarHBondContact O-N 3.5Å; V319-P330 HydrophobicContact CB-CB 3.63Å; V319-P330 HydrophobicContact CG1-CB 3.46Å; V319-P330 VanDerWaalsContact CG1-CB 3.46Å; V319-P330 HydrophobicContact CG1-CG 4.01Å; V319-P330 HydrophobicContact CG2-CB 4.35Å; V319-L375 HydrophobicContact CG1-CD2 4.35Å
320	N	97.4	Very high	93.8	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.342	C	S	.	.			trans	-62.3	118.6	176.4	-157.1	-73.5	0	0	0	111.8	R322 F323 Y331 L332 F334	N320-R322 VanDerWaalsContact C-N 3.27Å; N320-R322 PolarHBondContact O-N 2.97Å; N320-R322 WeakPolarHBondContact OD1-CA 3.45Å; N320-R322 PolarHBondContact OD1-N 3Å; N320-F323 WeakPolarHBondContact CB-O 3.25Å; N320-F323 PolarHBondContact OD1-N 3.25Å; N320-Y331 PolarHBondContact N-O 2.84Å; N320-L332 VanDerWaalsContact CB-O 3.29Å; N320-L332 WeakPolarHBondContact CB-O 3.4Å; N320-L332 PolarHBondContact ND2-O 3.42Å; N320-F334 WeakPolarHBondContact ND2-CD2 3.32Å; N320-F334 WeakPolarHBondContact ND2-CE2 3.42Å; N320-F334 WeakPolarHBondContact ND2-CZ 3.34Å
321	G	94.3	Very high	94.2	Very high	83 Å²	83	60.7 Å²	60.7	86%	0.856	33%	0.333	S	S	*	.	S	Bend	trans	-76.4	-7.4	177.9	0	0	0	0	0	115	V319	V319-G321 PolarHBondContact O-N 3.5Å
322	R	94.5	Very high	94.7	Very high	152 Å²	152	55.4 Å²	55.4	57%	0.574	30%	0.296	S	S	*	.	S	Bend	trans	-113.3	-31.3	-173.6	-67.2	178.4	62.1	-155.9	-7.8	113.9	N320 G350	N320-R322 VanDerWaalsContact C-N 3.27Å; N320-R322 PolarHBondContact O-N 2.97Å; N320-R322 WeakPolarHBondContact OD1-CA 3.45Å; N320-R322 PolarHBondContact OD1-N 3Å; R322-G350 PolarHBondContact NH1-O 3.37Å; R322-G350 VanDerWaalsContact NH1-O 3.15Å; R322-G350 PolarHBondContact NH2-O 3.02Å
323	F	96.1	Very high	95.3	Very high	59 Å²	59	54.3 Å²	54.3	26%	0.259	28%	0.281	S	S	.	.			trans	-135.8	140.6	-173.4	-59.7	-78.3	0	0	0	111.5	N320 Y331 F334 I351 V494	N320-F323 WeakPolarHBondContact CB-O 3.25Å; N320-F323 PolarHBondContact OD1-N 3.25Å; F323-Y331 HydrophobicContact CB-CD2 4.08Å; F323-Y331 HydrophobicContact CB-CE2 4.46Å; F323-F334 AromaticContact CD2-CE2 3.7Å; F323-F334 HydrophobicContact CD2-CE2 3.7Å; F323-F334 AromaticContact CD2-CZ 3.8Å; F323-F334 HydrophobicContact CD2-CZ 3.8Å; F323-F334 AromaticContact CE2-CE2 3.84Å; F323-F334 HydrophobicContact CE2-CE2 3.84Å; F323-F334 HydrophobicContact CE2-CZ 4.07Å; F323-I351 HydrophobicContact CD2-CD1 4.14Å; F323-I351 HydrophobicContact CE1-CD1 4.2Å; F323-I351 HydrophobicContact CE2-CD1 3.48Å; F323-I351 VanDerWaalsContact CE2-CD1 3.48Å; F323-I351 HydrophobicContact CZ-CD1 3.51Å; F323-V494 HydrophobicContact CB-CG1 3.93Å; F323-V494 HydrophobicContact CD1-CG1 3.58Å; F323-V494 HydrophobicContact CD2-CG1 4.12Å; F323-V494 HydrophobicContact CE1-CG1 4.08Å; F323-V494 HydrophobicContact CG-CG1 3.6Å
324	Q	96.4	Very high	95.7	Very high	119 Å²	119	50.4 Å²	50.4	56%	0.556	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-132.5	166.6	170.6	-64.8	175	12.2	0	0	107.8	G328 R329 Y331	Q324-G328 PolarHBondContact OE1-O 2.73Å; Q324-R329 WeakPolarHBondContact CB-O 3.35Å; Q324-Y331 WeakPolarHBondContact O-CE2 3.4Å
325	D	94.3	Very high	95.7	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.064	27%	0.269	C	S	.	.			trans	-73.6	179.8	171	76.5	12.3	0	0	0	112.1	Q327 G328 R329 Y331 R376	D325-Q327 PolarHBondContact O-N 3.11Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.12Å; D325-Q327 PolarHBondContact OD1-N 3.11Å; D325-G328 PolarHBondContact O-N 3.16Å; D325-G328 VanDerWaalsContact O-N 3.1Å; D325-G328 PolarHBondContact OD1-N 3.31Å; D325-G328 VanDerWaalsContact OD1-N 3.11Å; D325-R329 PolarHBondContact N-O 3.04Å; D325-R329 PolarHBondContact OD1-N 3.25Å; D325-R329 IonicContact OD1-NE 3.74Å; D325-R329 WeakPolarHBondContact OD2-CB 3.48Å; D325-R329 IonicContact OD2-CZ 2.94Å; D325-R329 VanDerWaalsContact OD2-CZ 3.27Å; D325-R329 IonicContact OD2-NE 2.66Å; D325-R329 PolarHBondContact OD2-NE 2.85Å; D325-R329 IonicContact OD2-NH2 2.96Å; D325-R329 PolarHBondContact OD2-NH2 3.23Å; D325-Y331 HydrophobicContact CB-CE1 4.35Å; D325-Y331 HydrophobicContact CB-CE2 4.45Å; D325-Y331 WeakPolarHBondContact CB-OH 3.47Å; D325-R376 IonicContact OD2-CZ 3.39Å; D325-R376 IonicContact OD2-NH1 2.71Å; D325-R376 PolarHBondContact OD2-NH1 3.45Å; D325-R376 IonicContact OD2-NH2 3.49Å; D325-R376 PolarHBondContact OD2-NH2 2.9Å
326	R	90.1	Very high	95.3	Very high	181 Å²	181	54.7 Å²	54.7	68%	0.683	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.3	-174.9	-66.4	-179.1	177.5	174	0.1	113.4
327	Q	91.2	Very high	94.6	Very high	103 Å²	103	58.5 Å²	58.5	48%	0.481	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4	-179.6	-66.2	76.6	10.9	0	0	111.5	D325 R329 D664	D325-Q327 PolarHBondContact O-N 3.11Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.12Å; D325-Q327 PolarHBondContact OD1-N 3.11Å; Q327-R329 VanDerWaalsContact OE1-NH2 3.15Å; Q327-D664 PolarHBondContact NE2-OD2 3.02Å; Q327-D664 PolarHBondContact OE1-OD2 3.35Å; Q327-D664 VanDerWaalsContact OE1-OD2 3.09Å
328	G	94.6	Very high	93.9	Very high	40 Å²	40	62.8 Å²	62.8	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	79	14.4	-179.2	0	0	0	0	0	113.9	Q324 D325	Q324-G328 PolarHBondContact OE1-O 2.73Å; D325-G328 PolarHBondContact O-N 3.16Å; D325-G328 VanDerWaalsContact O-N 3.1Å; D325-G328 PolarHBondContact OD1-N 3.31Å; D325-G328 VanDerWaalsContact OD1-N 3.11Å
329	R	95.9	Very high	93.1	Very high	46 Å²	46	66.6 Å²	66.6	17%	0.174	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80.2	147.4	175.1	-59.5	175	-66.5	-131.8	-12.8	110.5	Q324 D325 Q327 E500 S663 D664	Q324-R329 WeakPolarHBondContact CB-O 3.35Å; D325-R329 PolarHBondContact N-O 3.04Å; D325-R329 PolarHBondContact OD1-N 3.25Å; D325-R329 IonicContact OD1-NE 3.74Å; D325-R329 WeakPolarHBondContact OD2-CB 3.48Å; D325-R329 IonicContact OD2-CZ 2.94Å; D325-R329 VanDerWaalsContact OD2-CZ 3.27Å; D325-R329 IonicContact OD2-NE 2.66Å; D325-R329 PolarHBondContact OD2-NE 2.85Å; D325-R329 IonicContact OD2-NH2 2.96Å; D325-R329 PolarHBondContact OD2-NH2 3.23Å; Q327-R329 VanDerWaalsContact OE1-NH2 3.15Å; R329-E500 IonicContact CZ-OE1 3.97Å; R329-E500 IonicContact NH2-OE1 3.97Å; R329-E500 PolarHBondContact NH2-OE1 2.94Å; R329-E500 VanDerWaalsContact NH2-OE1 3.11Å; R329-S663 PolarHBondContact NH1-O 3.37Å; R329-D664 IonicContact CZ-OD1 2.7Å; R329-D664 VanDerWaalsContact CZ-OD1 3.22Å; R329-D664 IonicContact CZ-OD2 3.74Å; R329-D664 VanDerWaalsContact NH1-N 3.18Å; R329-D664 IonicContact NH1-OD1 2.75Å; R329-D664 PolarHBondContact NH1-OD1 3.46Å; R329-D664 IonicContact NH1-OD2 2.86Å; R329-D664 IonicContact NH2-OD1 3.9Å; R329-D664 PolarHBondContact NH2-OD1 3.04Å; R329-D664 IonicContact NH2-OD2 3.87Å; R329-D664 PolarHBondContact NH2-OD2 3.5Å
330	P	97.4	Very high	92.6	Very high	30 Å²	30	64.1 Å²	64.1	20%	0.195	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-71.5	152.7	-174	28.4	-35	0	0	0	112.9	V319 L375 R376	V319-P330 HydrophobicContact CB-CB 3.63Å; V319-P330 HydrophobicContact CG1-CB 3.46Å; V319-P330 VanDerWaalsContact CG1-CB 3.46Å; V319-P330 HydrophobicContact CG1-CG 4.01Å; V319-P330 HydrophobicContact CG2-CB 4.35Å; P330-L375 HydrophobicContact CB-CD2 4.47Å; P330-R376 HydrophobicContact CG-CG 4.12Å; P330-R376 PolarHBondContact O-NE 3.37Å; P330-R376 PolarHBondContact O-NH2 3.31Å
331	Y	98.5	Very high	91.7	Very high	5 Å²	5	66.3 Å²	66.3	2%	0.02	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-101.2	166.9	157.3	-66.9	-55.9	0	0	0	110.4	N320 F323 Q324 D325 F354 T372 I493 G498 I499	N320-Y331 PolarHBondContact N-O 2.84Å; F323-Y331 HydrophobicContact CB-CD2 4.08Å; F323-Y331 HydrophobicContact CB-CE2 4.46Å; Q324-Y331 WeakPolarHBondContact O-CE2 3.4Å; D325-Y331 HydrophobicContact CB-CE1 4.35Å; D325-Y331 HydrophobicContact CB-CE2 4.45Å; D325-Y331 WeakPolarHBondContact CB-OH 3.47Å; Y331-F354 HydrophobicContact CG-CZ 4.4Å; Y331-T372 HydrophobicContact CD1-CG2 4.24Å; Y331-I493 HydrophobicContact CD1-CG2 4.05Å; Y331-I493 HydrophobicContact CE1-CG2 3.62Å; Y331-I493 PolarHBondContact OH-O 3.22Å; Y331-G498 VanDerWaalsContact OH-CA 3.28Å; Y331-G498 WeakPolarHBondContact OH-CA 3.44Å; Y331-I499 HydrophobicContact CE1-CG2 4.43Å
332	L	98.3	Very high	91.2	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-56.1	146.1	169	-63.8	164.9	0	0	0	111.1	N320 F354 V361 H371 L375	N320-L332 VanDerWaalsContact CB-O 3.29Å; N320-L332 WeakPolarHBondContact CB-O 3.4Å; N320-L332 PolarHBondContact ND2-O 3.42Å; L332-F354 HydrophobicContact CB-CB 3.89Å; L332-F354 HydrophobicContact CB-CD1 3.68Å; L332-F354 HydrophobicContact CB-CE1 4.39Å; L332-F354 HydrophobicContact CB-CG 3.91Å; L332-F354 HydrophobicContact CD1-CB 3.96Å; L332-F354 HydrophobicContact CD1-CG 4.26Å; L332-F354 WeakPolarHBondContact O-CD1 3.43Å; L332-F354 VanDerWaalsContact O-CE1 3.28Å; L332-F354 WeakPolarHBondContact O-CE1 3.26Å; L332-V361 HydrophobicContact CD1-CG2 3.78Å; L332-H371 HydrophobicContact CD1-CB 3.76Å; L332-H371 HydrophobicContact CD2-CB 4.4Å; L332-L375 HydrophobicContact CD2-CB 3.98Å; L332-L375 HydrophobicContact CD2-CD1 4.15Å; L332-L375 HydrophobicContact CD2-CD2 4.13Å; L332-L375 HydrophobicContact CD2-CG 4.31Å
333	P	96.9	Very high	90.4	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.123	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.1	159	172.1	27.4	-32.5	0	0	0	110.7	A318 F354 R355	A318-P333 WeakPolarHBondContact O-CD 3.31Å; P333-F354 CarbonylContact O-C 3.57Å; P333-F354 WeakPolarHBondContact O-CA 3.16Å; P333-R355 HydrophobicContact CG-CB 4.39Å; P333-R355 PolarHBondContact O-N 3.2Å
334	F	94.9	Very high	89	Confident	32 Å²	32	56.4 Å²	56.4	14%	0.14	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-82.4	159.4	170	-69	-45.8	0	0	0	111.1	N320 F323 I351 E352 C353 F354	N320-F334 WeakPolarHBondContact ND2-CD2 3.32Å; N320-F334 WeakPolarHBondContact ND2-CE2 3.42Å; N320-F334 WeakPolarHBondContact ND2-CZ 3.34Å; F323-F334 AromaticContact CD2-CE2 3.7Å; F323-F334 HydrophobicContact CD2-CE2 3.7Å; F323-F334 AromaticContact CD2-CZ 3.8Å; F323-F334 HydrophobicContact CD2-CZ 3.8Å; F323-F334 AromaticContact CE2-CE2 3.84Å; F323-F334 HydrophobicContact CE2-CE2 3.84Å; F323-F334 HydrophobicContact CE2-CZ 4.07Å; F334-I351 HydrophobicContact CE1-CG2 3.92Å; F334-I351 HydrophobicContact CZ-CD1 4.47Å; F334-I351 HydrophobicContact CZ-CG2 3.93Å; F334-E352 HydrophobicContact CB-CB 3.96Å; F334-E352 HydrophobicContact CD1-CB 3.89Å; F334-E352 VanDerWaalsContact CD1-O 3.24Å; F334-E352 WeakPolarHBondContact CD1-O 3.43Å; F334-E352 HydrophobicContact CD2-CB 4.37Å; F334-E352 HydrophobicContact CE1-CB 4.5Å; F334-E352 WeakPolarHBondContact CE1-O 3.37Å; F334-E352 HydrophobicContact CG-CB 3.83Å; F334-C353 WeakPolarHBondContact CA-O 3.46Å; F334-F354 AromaticContact CD1-CD1 3.86Å; F334-F354 HydrophobicContact CD1-CD1 3.86Å; F334-F354 HydrophobicContact CD1-CE1 4.1Å; F334-F354 AromaticContact CE1-CD1 3.82Å; F334-F354 HydrophobicContact CE1-CD1 3.82Å; F334-F354 AromaticContact CE1-CE1 3.6Å; F334-F354 HydrophobicContact CE1-CE1 3.6Å; F334-F354 HydrophobicContact CE1-CZ 4.28Å; F334-F354 HydrophobicContact CZ-CE1 4.37Å
335	V	91.4	Very high	87.4	Confident	36 Å²	36	53 Å²	53	22%	0.218	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-60.3	148.8	166.7	-63.7	0	0	0	0	110.8	C353 R355	V335-C353 HydrophobicContact CG1-CB 4.28Å; V335-C353 HydrophobicContact CG2-CB 4.17Å; V335-C353 PolarHBondContact N-O 3.3Å; V335-R355 HydrophobicContact CG1-CB 4.08Å
336	A	87	Confident	85.6	Confident	85 Å²	85	55.8 Å²	55.8	70%	0.702	35%	0.35	S	S	*	.	S	Bend	trans	-74.5	-34.7	-177.4	0	0	0	0	0	112.8	T338	A336-T338 PolarHBondContact O-N 2.8Å
337	E	84.1	Confident	84.3	Confident	128 Å²	128	57.1 Å²	57.1	60%	0.598	36%	0.355	S	S	*	.	S	Bend	trans	-79.1	119	178.9	-66.6	-179.2	-165	0	0	110.5	H50	H50-E337 IonicContact CE1-OE2 2.72Å; H50-E337 PolarHBondContact CE1-OE2 2.85Å; H50-E337 IonicContact ND1-OE2 2.88Å; H50-E337 IonicContact NE2-OE2 3.84Å
338	T	82.6	Confident	83	Confident	94 Å²	94	52.2 Å²	52.2	58%	0.577	33%	0.333	S	S	*	.	S	Bend	trans	-132.3	145.2	-177.6	68.3	0	0	0	0	111.5	A336 E352	A336-T338 PolarHBondContact O-N 2.8Å; T338-E352 HydrophobicContact CG2-CG 3.81Å
339	P	82.6	Confident	82	Confident	103 Å²	103	60.9 Å²	60.9	67%	0.669	35%	0.353	S	S	*	.	S	Bend	cis	-70.8	134.8	-3	30.4	-34	0	0	0	111.8
340	S	85.5	Confident	81.3	Confident	9 Å²	9	60 Å²	60	6%	0.063	36%	0.358	C	S	.	.			trans	-75.9	167.1	173.1	67.7	0	0	0	0	110.7	C342 G343 A344 E352 C353	S340-C342 PolarHBondContact O-N 3.42Å; S340-G343 PolarHBondContact O-N 3.45Å; S340-G343 PolarHBondContact OG-N 2.97Å; S340-A344 PolarHBondContact O-N 2.96Å; S340-E352 VanDerWaalsContact CB-OE2 3.28Å; S340-E352 WeakPolarHBondContact CB-OE2 3.4Å; S340-E352 PolarHBondContact N-OE2 2.86Å; S340-E352 WeakPolarHBondContact OG-CA 3.07Å; S340-E352 PolarHBondContact OG-OE2 3.2Å; S340-C353 PolarHBondContact OG-N 3.45Å
341	A	79.9	Confident	81	Confident	50 Å²	50	58.7 Å²	58.7	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-28.1	176.7	0	0	0	0	0	113.2	L531	A341-L531 HydrophobicContact CB-CB 4.03Å; A341-L531 HydrophobicContact CB-CD1 3.43Å; A341-L531 VanDerWaalsContact CB-CD1 3.43Å; A341-L531 HydrophobicContact CB-CG 4.23Å
342	C	83.9	Confident	80.7	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.014	35%	0.353	C	S	.	.	H	α-helix	trans	-73.7	-36.4	172	-50.4	0	0	0	0	112.6	S340 C353 P490	S340-C342 PolarHBondContact O-N 3.42Å; C342-C353 HydrophobicContact CB-CB 4Å; C342-C353 WeakPolarHBondContact CB-SG 3.45Å; C342-C353 PolarHBondContact N-SG 3.35Å; C342-C353 WeakPolarHBondContact SG-CA 3.5Å; C342-C353 WeakPolarHBondContact SG-CB 3.24Å; C342-C353 CovalentContact SG-SG 2.04Å; C342-C353 PolarHBondContact SG-SG 3.24Å; C342-P490 HydrophobicContact CB-CG 3.69Å
343	G	77.2	Confident	80.4	Confident	12 Å²	12	59.8 Å²	59.8	12%	0.124	36%	0.356	C	S	.	.	H	α-helix	trans	-76.3	-30.4	179.7	0	0	0	0	0	113.6	S340 A345 I351	S340-G343 PolarHBondContact O-N 3.45Å; S340-G343 PolarHBondContact OG-N 2.97Å; G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 3.25Å; G343-I351 VanDerWaalsContact CA-O 3.28Å; G343-I351 WeakPolarHBondContact CA-O 3.25Å
344	A	67.1	Low	80.4	Confident	72 Å²	72	59 Å²	59	60%	0.595	35%	0.351	S	S	*	.	H	α-helix	trans	-69.3	-25.7	175.3	0	0	0	0	0	112.9	S340 G346	S340-A344 PolarHBondContact O-N 2.96Å; A344-G346 PolarHBondContact O-N 3.18Å
345	A	63	Low	80.4	Confident	49 Å²	49	59.6 Å²	59.6	41%	0.405	35%	0.352	S	S	.	.	S	Bend	trans	-71	90.3	172.3	0	0	0	0	0	109.8	G343 R347 G348	G343-A345 VanDerWaalsContact C-N 3.3Å; G343-A345 PolarHBondContact O-N 3.25Å; A345-R347 PolarHBondContact O-N 3.25Å; A345-G348 PolarHBondContact O-N 2.94Å
346	G	55.3	Low	80.6	Confident	70 Å²	70	58.3 Å²	58.3	72%	0.722	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-50.7	-4.1	-164.5	0	0	0	0	0	119.8	A344 G348	A344-G346 PolarHBondContact O-N 3.18Å; G346-G348 VanDerWaalsContact C-N 3.32Å
347	R	63.6	Low	81	Confident	209 Å²	209	54.2 Å²	54.2	79%	0.789	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-74.2	-21.5	170.5	-60.2	-173.7	-175.5	-150.2	1.5	112.9	A345	A345-R347 PolarHBondContact O-N 3.25Å
348	G	63.9	Low	81.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-105.5	21	-174.7	0	0	0	0	0	115.8	A345 G346 G350 I351	A345-G348 PolarHBondContact O-N 2.94Å; G346-G348 VanDerWaalsContact C-N 3.32Å; G348-G350 PolarHBondContact O-N 2.76Å; G348-I351 WeakPolarHBondContact O-CB 3.37Å; G348-I351 PolarHBondContact O-N 3.21Å
349	R	72.3	Confident	81.3	Confident	221 Å²	221	45.7 Å²	45.7	83%	0.834	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.8	121.4	-169.4	-165.5	177.2	-177.6	-177.3	0.7	113.1	K495	R349-K495 PolarHBondContact O-NZ 3.45Å
350	G	82.2	Confident	81.7	Confident	28 Å²	28	42 Å²	42	29%	0.289	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	1.9	179.1	0	0	0	0	0	116	R322 G348	R322-G350 PolarHBondContact NH1-O 3.37Å; R322-G350 VanDerWaalsContact NH1-O 3.15Å; R322-G350 PolarHBondContact NH2-O 3.02Å; G348-G350 PolarHBondContact O-N 2.76Å
351	I	91.1	Very high	82.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	25%	0.245	C	C	.	.			trans	-108.1	120.6	172	-51.6	-56.3	0	0	0	109.3	F323 F334 G343 G348 P490 W491 V494 K495	F323-I351 HydrophobicContact CD2-CD1 4.14Å; F323-I351 HydrophobicContact CE1-CD1 4.2Å; F323-I351 HydrophobicContact CE2-CD1 3.48Å; F323-I351 VanDerWaalsContact CE2-CD1 3.48Å; F323-I351 HydrophobicContact CZ-CD1 3.51Å; F334-I351 HydrophobicContact CE1-CG2 3.92Å; F334-I351 HydrophobicContact CZ-CD1 4.47Å; F334-I351 HydrophobicContact CZ-CG2 3.93Å; G343-I351 VanDerWaalsContact CA-O 3.28Å; G343-I351 WeakPolarHBondContact CA-O 3.25Å; G348-I351 WeakPolarHBondContact O-CB 3.37Å; G348-I351 PolarHBondContact O-N 3.21Å; I351-P490 HydrophobicContact CG2-CB 4.38Å; I351-P490 HydrophobicContact CG2-CG 4.31Å; I351-W491 HydrophobicContact CB-CB 3.93Å; I351-W491 HydrophobicContact CG1-CB 3.92Å; I351-W491 HydrophobicContact CG2-CB 4.1Å; I351-V494 HydrophobicContact CD1-CB 4.1Å; I351-V494 HydrophobicContact CD1-CG1 3.7Å; I351-V494 HydrophobicContact CD1-CG2 4.37Å; I351-V494 HydrophobicContact CG2-CG2 4.09Å; I351-K495 HydrophobicContact CG1-CD 4.47Å
352	E	92.4	Very high	82.7	Confident	21 Å²	21	39.6 Å²	39.6	10%	0.098	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-96.6	171.4	180	-55.1	-56.4	148.9	0	0	111.3	F334 T338 S340 P490	F334-E352 HydrophobicContact CB-CB 3.96Å; F334-E352 HydrophobicContact CD1-CB 3.89Å; F334-E352 VanDerWaalsContact CD1-O 3.24Å; F334-E352 WeakPolarHBondContact CD1-O 3.43Å; F334-E352 HydrophobicContact CD2-CB 4.37Å; F334-E352 HydrophobicContact CE1-CB 4.5Å; F334-E352 WeakPolarHBondContact CE1-O 3.37Å; F334-E352 HydrophobicContact CG-CB 3.83Å; T338-E352 HydrophobicContact CG2-CG 3.81Å; S340-E352 VanDerWaalsContact CB-OE2 3.28Å; S340-E352 WeakPolarHBondContact CB-OE2 3.4Å; S340-E352 PolarHBondContact N-OE2 2.86Å; S340-E352 WeakPolarHBondContact OG-CA 3.07Å; S340-E352 PolarHBondContact OG-OE2 3.2Å; E352-P490 WeakPolarHBondContact O-CG 3.25Å
353	C	92.4	Very high	83.1	Confident	14 Å²	14	41.9 Å²	41.9	10%	0.095	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.3	137.1	169.8	-63	0	0	0	0	110.1	F334 V335 S340 C342 N362	F334-C353 WeakPolarHBondContact CA-O 3.46Å; V335-C353 HydrophobicContact CG1-CB 4.28Å; V335-C353 HydrophobicContact CG2-CB 4.17Å; V335-C353 PolarHBondContact N-O 3.3Å; S340-C353 PolarHBondContact OG-N 3.45Å; C342-C353 HydrophobicContact CB-CB 4Å; C342-C353 WeakPolarHBondContact CB-SG 3.45Å; C342-C353 PolarHBondContact N-SG 3.35Å; C342-C353 WeakPolarHBondContact SG-CA 3.5Å; C342-C353 WeakPolarHBondContact SG-CB 3.24Å; C342-C353 CovalentContact SG-SG 2.04Å; C342-C353 PolarHBondContact SG-SG 3.24Å; C353-N362 WeakPolarHBondContact CB-ND2 3.38Å
354	F	95.8	Very high	83.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-67.4	150.6	169.5	-71.5	-56.7	0	0	0	111.3	Y331 L332 P333 F334 V361 N362 I368 P490 I493 V494	Y331-F354 HydrophobicContact CG-CZ 4.4Å; L332-F354 HydrophobicContact CB-CB 3.89Å; L332-F354 HydrophobicContact CB-CD1 3.68Å; L332-F354 HydrophobicContact CB-CE1 4.39Å; L332-F354 HydrophobicContact CB-CG 3.91Å; L332-F354 HydrophobicContact CD1-CB 3.96Å; L332-F354 HydrophobicContact CD1-CG 4.26Å; L332-F354 WeakPolarHBondContact O-CD1 3.43Å; L332-F354 VanDerWaalsContact O-CE1 3.28Å; L332-F354 WeakPolarHBondContact O-CE1 3.26Å; P333-F354 CarbonylContact O-C 3.57Å; P333-F354 WeakPolarHBondContact O-CA 3.16Å; F334-F354 AromaticContact CD1-CD1 3.86Å; F334-F354 HydrophobicContact CD1-CD1 3.86Å; F334-F354 HydrophobicContact CD1-CE1 4.1Å; F334-F354 AromaticContact CE1-CD1 3.82Å; F334-F354 HydrophobicContact CE1-CD1 3.82Å; F334-F354 AromaticContact CE1-CE1 3.6Å; F334-F354 HydrophobicContact CE1-CE1 3.6Å; F334-F354 HydrophobicContact CE1-CZ 4.28Å; F334-F354 HydrophobicContact CZ-CE1 4.37Å; F354-V361 WeakPolarHBondContact O-CG1 3.43Å; F354-N362 PolarHBondContact N-ND2 2.87Å; F354-N362 PolarHBondContact N-OD1 3.22Å; F354-N362 PolarHBondContact O-ND2 2.99Å; F354-I368 HydrophobicContact CD2-CD1 4.15Å; F354-I368 HydrophobicContact CD2-CG1 4.32Å; F354-I368 HydrophobicContact CD2-CG2 3.49Å; F354-I368 VanDerWaalsContact CD2-CG2 3.49Å; F354-I368 HydrophobicContact CE2-CG2 3.6Å; F354-P490 HydrophobicContact CD2-CB 3.63Å; F354-P490 HydrophobicContact CE2-CB 3.64Å; F354-I493 HydrophobicContact CE2-CB 4.37Å; F354-I493 HydrophobicContact CE2-CG2 4.46Å; F354-V494 HydrophobicContact CE1-CG2 4.48Å; F354-V494 HydrophobicContact CE2-CG2 4.47Å; F354-V494 HydrophobicContact CZ-CG2 3.7Å
355	R	95.7	Very high	85.3	Confident	45 Å²	45	38.3 Å²	38.3	17%	0.17	21%	0.208	C	C	.	.			trans	-110.7	134.6	176.2	-173.8	-176.5	-177.1	166.6	6.8	109.3	D306 L307 P333 V335	D306-R355 VanDerWaalsContact CB-CZ 3.4Å; D306-R355 IonicContact OD2-CZ 2.68Å; D306-R355 IonicContact OD2-NH1 2.71Å; D306-R355 PolarHBondContact OD2-NH1 3.06Å; D306-R355 IonicContact OD2-NH2 3.12Å; D306-R355 PolarHBondContact OD2-NH2 3.34Å; L307-R355 HydrophobicContact CD2-CG 4.11Å; P333-R355 HydrophobicContact CG-CB 4.39Å; P333-R355 PolarHBondContact O-N 3.2Å; V335-R355 HydrophobicContact CG1-CB 4.08Å
356	A	96	Very high	87	Confident	8 Å²	8	36.8 Å²	36.8	7%	0.066	19%	0.194	C	C	.	.			trans	-142.9	-169.8	175.8	0	0	0	0	0	110	E358 V361	A356-E358 PolarHBondContact O-N 3.18Å; A356-V361 HydrophobicContact CB-CB 3.98Å; A356-V361 HydrophobicContact CB-CG1 4.04Å; A356-V361 HydrophobicContact CB-CG2 4.02Å
357	G	94.2	Very high	89	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-64.5	-12.1	175.9	0	0	0	0	0	114.9	S294 L295 G298 H299 L303	S294-G357 WeakPolarHBondContact O-CA 3.49Å; L295-G357 VanDerWaalsContact O-CA 3.23Å; L295-G357 WeakPolarHBondContact O-CA 3.33Å; L295-G357 PolarHBondContact O-N 2.87Å; G298-G357 VanDerWaalsContact N-CA 3.33Å; H299-G357 PolarHBondContact ND1-O 2.93Å; L303-G357 VanDerWaalsContact CD2-O 3.27Å; L303-G357 WeakPolarHBondContact CD2-O 3.42Å
358	E	87.3	Confident	90.7	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.028	12%	0.122	C	C	.	.	S	Bend	trans	-144.9	160.2	173.3	77.2	81.4	-155.3	0	0	111.5	H207 L295 A356 R360 V361 H371	H207-E358 HydrophobicContact CB-CG 4.26Å; H207-E358 IonicContact CE1-OE1 2.66Å; H207-E358 IonicContact ND1-OE1 3.64Å; H207-E358 PolarHBondContact ND1-OE1 3.31Å; H207-E358 VanDerWaalsContact ND1-OE1 3.11Å; L295-E358 HydrophobicContact CB-CG 3.86Å; A356-E358 PolarHBondContact O-N 3.18Å; E358-R360 VanDerWaalsContact OE1-CA 3.28Å; E358-R360 WeakPolarHBondContact OE1-CA 3.26Å; E358-R360 VanDerWaalsContact OE1-CB 3.26Å; E358-R360 WeakPolarHBondContact OE1-CB 2.99Å; E358-R360 PolarHBondContact OE1-N 3.5Å; E358-R360 VanDerWaalsContact OE1-N 3.14Å; E358-R360 WeakPolarHBondContact OE2-CA 3.37Å; E358-R360 WeakPolarHBondContact OE2-CB 3.23Å; E358-R360 WeakPolarHBondContact OE2-CG 3.46Å; E358-R360 IonicContact OE2-CZ 3.58Å; E358-R360 PolarHBondContact OE2-N 3.22Å; E358-R360 IonicContact OE2-NE 3.72Å; E358-R360 PolarHBondContact OE2-NE 3.29Å; E358-R360 IonicContact OE2-NH2 2.7Å; E358-V361 PolarHBondContact OE1-N 2.81Å; E358-H371 IonicContact OE1-NE2 3.41Å
359	G	85.4	Confident	92.3	Very high	37 Å²	37	23.5 Å²	23.5	38%	0.381	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-84	-15.8	-167.1	0	0	0	0	0	116.6	F49 V361	F49-G359 WeakPolarHBondContact CD1-O 3.41Å; G359-V361 VanDerWaalsContact C-N 3.32Å
360	R	91.1	Very high	93.6	Very high	25 Å²	25	13 Å²	13	9%	0.094	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-85	2.4	-179.1	-59.3	165.7	-74.2	-177	-7.6	113.6	F49 D206 H207 T210 E358 N362 E363	F49-R360 HydrophobicContact CD1-CB 4.48Å; F49-R360 HydrophobicContact CD1-CG 3.85Å; F49-R360 HydrophobicContact CD2-CG 3.97Å; F49-R360 HydrophobicContact CE1-CB 4.04Å; F49-R360 HydrophobicContact CE1-CG 3.5Å; F49-R360 VanDerWaalsContact CE1-CG 3.5Å; F49-R360 HydrophobicContact CE2-CG 3.63Å; F49-R360 HydrophobicContact CG-CG 4.09Å; F49-R360 HydrophobicContact CZ-CB 4.28Å; F49-R360 HydrophobicContact CZ-CG 3.41Å; F49-R360 VanDerWaalsContact CZ-CG 3.41Å; D206-R360 IonicContact OD1-NH1 3.6Å; H207-R360 PolarHBondContact CD2-NH1 3.04Å; H207-R360 VanDerWaalsContact CE1-CB 3.41Å; H207-R360 WeakPolarHBondContact CE1-CB 3.47Å; H207-R360 VanDerWaalsContact CG-CZ 3.49Å; H207-R360 PolarHBondContact NE2-NH1 3.17Å; T210-R360 PolarHBondContact O-NH1 2.82Å; T210-R360 PolarHBondContact O-NH2 2.03Å; E358-R360 VanDerWaalsContact OE1-CA 3.28Å; E358-R360 WeakPolarHBondContact OE1-CA 3.26Å; E358-R360 VanDerWaalsContact OE1-CB 3.26Å; E358-R360 WeakPolarHBondContact OE1-CB 2.99Å; E358-R360 PolarHBondContact OE1-N 3.5Å; E358-R360 VanDerWaalsContact OE1-N 3.14Å; E358-R360 WeakPolarHBondContact OE2-CA 3.37Å; E358-R360 WeakPolarHBondContact OE2-CB 3.23Å; E358-R360 WeakPolarHBondContact OE2-CG 3.46Å; E358-R360 IonicContact OE2-CZ 3.58Å; E358-R360 PolarHBondContact OE2-N 3.22Å; E358-R360 IonicContact OE2-NE 3.72Å; E358-R360 PolarHBondContact OE2-NE 3.29Å; E358-R360 IonicContact OE2-NH2 2.7Å; R360-N362 PolarHBondContact O-N 2.98Å; R360-E363 WeakPolarHBondContact O-CB 3.44Å; R360-E363 PolarHBondContact O-N 3.38Å
361	V	94.3	Very high	94.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-49.6	-29	178.1	61.3	0	0	0	0	114.2	L332 F354 A356 E358 G359 I368 H371	L332-V361 HydrophobicContact CD1-CG2 3.78Å; F354-V361 WeakPolarHBondContact O-CG1 3.43Å; A356-V361 HydrophobicContact CB-CB 3.98Å; A356-V361 HydrophobicContact CB-CG1 4.04Å; A356-V361 HydrophobicContact CB-CG2 4.02Å; E358-V361 PolarHBondContact OE1-N 2.81Å; G359-V361 VanDerWaalsContact C-N 3.32Å; V361-I368 WeakPolarHBondContact O-CG1 3.03Å; V361-I368 PolarHBondContact O-N 3.15Å; V361-H371 HydrophobicContact CG2-CB 3.7Å
362	N	93.5	Very high	94.8	Very high	7 Å²	7	11.7 Å²	11.7	4%	0.037	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-92.1	-0.5	179.2	-61.6	-88.1	0	0	0	114.4	C353 F354 R360 G364 F488	C353-N362 WeakPolarHBondContact CB-ND2 3.38Å; F354-N362 PolarHBondContact N-ND2 2.87Å; F354-N362 PolarHBondContact N-OD1 3.22Å; F354-N362 PolarHBondContact O-ND2 2.99Å; R360-N362 PolarHBondContact O-N 2.98Å; N362-G364 VanDerWaalsContact C-N 3.26Å; N362-G364 PolarHBondContact O-N 2.79Å; N362-F488 HydrophobicContact CB-CD1 4.36Å; N362-F488 WeakPolarHBondContact O-CA 3.23Å; N362-F488 WeakPolarHBondContact O-CD1 3.35Å; N362-F488 PolarHBondContact O-N 3.43Å; N362-F488 VanDerWaalsContact O-N 3.1Å
363	E	91.7	Very high	95.1	Very high	50 Å²	50	10.8 Å²	10.8	23%	0.234	6%	0.064	C	C	.	.	S	Bend	trans	-56.3	-41.6	-175.7	-175.3	-175.6	-179.6	0	0	111.4	Q203 H207 R360 L367 L487 F488	Q203-E363 PolarHBondContact NE2-OE2 3.07Å; H207-E363 IonicContact CE1-OE2 3.62Å; R360-E363 WeakPolarHBondContact O-CB 3.44Å; R360-E363 PolarHBondContact O-N 3.38Å; E363-L367 HydrophobicContact CB-CD1 4.05Å; E363-L487 WeakPolarHBondContact O-CA 3.34Å; E363-L487 WeakPolarHBondContact O-CD2 3.46Å; E363-F488 HydrophobicContact CB-CE1 4.35Å; E363-F488 HydrophobicContact CB-CZ 4.48Å; E363-F488 HydrophobicContact CG-CZ 4.32Å; E363-F488 PolarHBondContact O-N 2.88Å
364	G	93.5	Very high	95.4	Very high	10 Å²	10	10.1 Å²	10.1	10%	0.103	6%	0.06	C	C	.	.	S	Bend	trans	-147.1	161.1	173.7	0	0	0	0	0	112.9	N362 P366 L367 I368	N362-G364 VanDerWaalsContact C-N 3.26Å; N362-G364 PolarHBondContact O-N 2.79Å; G364-P366 VanDerWaalsContact C-CD 3.45Å; G364-L367 PolarHBondContact O-N 2.78Å; G364-I368 PolarHBondContact O-N 2.9Å
365	L	97.3	Very high	95.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.9	-39.7	178.3	-56.8	-178.2	0	0	0	114.2	L367 I368 V369 L465 L481 A486 R492 I493 T502	L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 3.27Å; L365-I368 HydrophobicContact CD2-CD1 4.35Å; L365-I368 PolarHBondContact O-N 3.38Å; L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 2.86Å; L365-L465 HydrophobicContact CB-CD1 4.01Å; L365-L465 HydrophobicContact CD1-CD1 4.36Å; L365-L465 HydrophobicContact CD1-CD2 4.39Å; L365-L465 HydrophobicContact CG-CD1 4.48Å; L365-L481 HydrophobicContact CD1-CD1 3.81Å; L365-A486 HydrophobicContact CD1-CB 4.1Å; L365-A486 HydrophobicContact CG-CB 4.03Å; L365-R492 HydrophobicContact CD1-CB 4.27Å; L365-R492 HydrophobicContact CD2-CB 4.12Å; L365-I493 HydrophobicContact CB-CD1 4.45Å; L365-I493 HydrophobicContact CD2-CD1 4.2Å; L365-I493 HydrophobicContact CD2-CG1 4.09Å; L365-T502 HydrophobicContact CB-CG2 4.06Å
366	P	98	Very high	95.6	Very high	17 Å²	17	8.7 Å²	8.7	11%	0.11	6%	0.055	C	C	.	.	H	α-helix	trans	-60.6	-35.9	179.4	-25.5	37.4	0	0	0	113.2	D200 G364 V369 L370 L465 T502 M506	D200-P366 HydrophobicContact CB-CB 3.96Å; G364-P366 VanDerWaalsContact C-CD 3.45Å; P366-V369 WeakPolarHBondContact O-CB 3.2Å; P366-V369 PolarHBondContact O-N 3.26Å; P366-L370 WeakPolarHBondContact O-CG 3.41Å; P366-L370 PolarHBondContact O-N 3.1Å; P366-L465 HydrophobicContact CG-CD1 3.78Å; P366-T502 HydrophobicContact CG-CG2 4.47Å; P366-M506 HydrophobicContact CB-CE 3.83Å; P366-M506 HydrophobicContact CB-CG 4.43Å; P366-M506 HydrophobicContact CB-SD 3.85Å
367	L	98.2	Very high	95.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-48.7	174.6	-66.1	-179.7	0	0	0	111.2	Q203 Y204 E363 G364 L365 V369 L370 H371	Q203-L367 HydrophobicContact CB-CD2 4.33Å; Q203-L367 HydrophobicContact CG-CD1 4.34Å; Q203-L367 HydrophobicContact CG-CD2 4.04Å; Y204-L367 HydrophobicContact CD2-CD2 4.49Å; E363-L367 HydrophobicContact CB-CD1 4.05Å; G364-L367 PolarHBondContact O-N 2.78Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 3.27Å; L367-V369 PolarHBondContact O-N 2.98Å; L367-L370 PolarHBondContact O-N 2.77Å; L367-L370 VanDerWaalsContact O-N 3.13Å; L367-H371 PolarHBondContact O-CD2 2.77Å; L367-H371 PolarHBondContact O-N 2.68Å
368	I	98.5	Very high	96	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-54.7	-41.6	176.5	-59	172.7	0	0	0	110.8	F354 V361 G364 L365 T372 P490 I493	F354-I368 HydrophobicContact CD2-CD1 4.15Å; F354-I368 HydrophobicContact CD2-CG1 4.32Å; F354-I368 HydrophobicContact CD2-CG2 3.49Å; F354-I368 VanDerWaalsContact CD2-CG2 3.49Å; F354-I368 HydrophobicContact CE2-CG2 3.6Å; V361-I368 WeakPolarHBondContact O-CG1 3.03Å; V361-I368 PolarHBondContact O-N 3.15Å; G364-I368 PolarHBondContact O-N 2.9Å; L365-I368 HydrophobicContact CD2-CD1 4.35Å; L365-I368 PolarHBondContact O-N 3.38Å; I368-T372 VanDerWaalsContact O-CB 3.26Å; I368-T372 WeakPolarHBondContact O-CB 3.44Å; I368-T372 PolarHBondContact O-N 3.27Å; I368-T372 PolarHBondContact O-OG1 3.1Å; I368-P490 HydrophobicContact CD1-CB 3.98Å; I368-I493 HydrophobicContact CB-CG1 4.27Å; I368-I493 HydrophobicContact CD1-CG1 4.34Å; I368-I493 HydrophobicContact CG2-CB 4.47Å; I368-I493 HydrophobicContact CG2-CG1 3.83Å; I368-I493 HydrophobicContact CG2-CG2 4.43Å
369	V	98.7	Very high	96.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.1	-52.8	177.2	168.8	0	0	0	0	111.2	L365 P366 L367 T372 L373 I493 I499 T502 L503 M506	L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 2.86Å; P366-V369 WeakPolarHBondContact O-CB 3.2Å; P366-V369 PolarHBondContact O-N 3.26Å; L367-V369 PolarHBondContact O-N 2.98Å; V369-T372 PolarHBondContact O-N 2.93Å; V369-L373 HydrophobicContact CG1-CD1 4.23Å; V369-L373 WeakPolarHBondContact O-CG 3.46Å; V369-L373 PolarHBondContact O-N 2.6Å; V369-I493 HydrophobicContact CG2-CD1 4.12Å; V369-I499 HydrophobicContact CB-CB 4.41Å; V369-I499 HydrophobicContact CG1-CB 4.22Å; V369-I499 HydrophobicContact CG2-CB 3.92Å; V369-I499 HydrophobicContact CG2-CG2 4.17Å; V369-T502 HydrophobicContact CG2-CG2 3.8Å; V369-L503 HydrophobicContact CG1-CB 3.86Å; V369-L503 HydrophobicContact CG1-CD1 3.81Å; V369-L503 HydrophobicContact CG1-CD2 4.43Å; V369-L503 HydrophobicContact CG1-CG 4.24Å; V369-M506 HydrophobicContact CB-SD 4.2Å; V369-M506 HydrophobicContact CG1-SD 3.94Å
370	L	98.8	Very high	97.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-179.3	-69.1	172.8	0	0	0	111.7	L197 D200 Y204 P366 L367 T372 L373 W374 M506	L197-L370 HydrophobicContact CD1-CD2 4.16Å; D200-L370 HydrophobicContact CB-CD1 4.49Å; Y204-L370 HydrophobicContact CD1-CD1 4.41Å; Y204-L370 HydrophobicContact CD2-CB 3.61Å; Y204-L370 HydrophobicContact CD2-CD1 4.01Å; Y204-L370 HydrophobicContact CD2-CG 4.46Å; Y204-L370 HydrophobicContact CE2-CB 3.68Å; Y204-L370 HydrophobicContact CG-CB 4.13Å; Y204-L370 HydrophobicContact CG-CD1 3.77Å; P366-L370 WeakPolarHBondContact O-CG 3.41Å; P366-L370 PolarHBondContact O-N 3.1Å; L367-L370 PolarHBondContact O-N 2.77Å; L367-L370 VanDerWaalsContact O-N 3.13Å; L370-T372 VanDerWaalsContact C-N 3.28Å; L370-T372 PolarHBondContact O-N 2.88Å; L370-L373 HydrophobicContact CD2-CD1 4.41Å; L370-L373 WeakPolarHBondContact O-CB 3.27Å; L370-L373 PolarHBondContact O-N 3.05Å; L370-L373 VanDerWaalsContact O-N 3.16Å; L370-W374 PolarHBondContact O-N 3.41Å; L370-W374 VanDerWaalsContact O-N 3.08Å; L370-M506 HydrophobicContact CD1-CE 4.06Å; L370-M506 HydrophobicContact CD2-CE 4.15Å; L370-M506 HydrophobicContact CG-CE 3.91Å
371	H	98.8	Very high	97.5	Very high	3 Å²	3	8.5 Å²	8.5	1%	0.014	4%	0.042	C	C	.	.	H	α-helix	trans	-59	-39.2	175.6	-79.9	-94.5	0	0	0	112.3	Y204 L295 L332 E358 V361 L367 W374 L375	Y204-H371 AromaticContact CE2-CD2 3.73Å; Y204-H371 AromaticContact CE2-NE2 3.9Å; L295-H371 PolarHBondContact O-CE1 3.07Å; L295-H371 PolarHBondContact O-ND1 3.03Å; L332-H371 HydrophobicContact CD1-CB 3.76Å; L332-H371 HydrophobicContact CD2-CB 4.4Å; E358-H371 IonicContact OE1-NE2 3.41Å; V361-H371 HydrophobicContact CG2-CB 3.7Å; L367-H371 PolarHBondContact O-CD2 2.77Å; L367-H371 PolarHBondContact O-N 2.68Å; H371-W374 PolarHBondContact O-N 2.69Å; H371-L375 WeakPolarHBondContact O-CB 3.2Å; H371-L375 PolarHBondContact O-N 3.29Å
372	T	98.8	Very high	97.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.2	-40.2	176.8	-58.7	0	0	0	0	111.7	Y331 I368 V369 L370 W374 L375 R376 I499	Y331-T372 HydrophobicContact CD1-CG2 4.24Å; I368-T372 VanDerWaalsContact O-CB 3.26Å; I368-T372 WeakPolarHBondContact O-CB 3.44Å; I368-T372 PolarHBondContact O-N 3.27Å; I368-T372 PolarHBondContact O-OG1 3.1Å; V369-T372 PolarHBondContact O-N 2.93Å; L370-T372 VanDerWaalsContact C-N 3.28Å; L370-T372 PolarHBondContact O-N 2.88Å; T372-W374 PolarHBondContact O-N 2.86Å; T372-L375 PolarHBondContact O-N 3Å; T372-R376 VanDerWaalsContact O-CG 3.27Å; T372-R376 WeakPolarHBondContact O-CG 3.49Å; T372-R376 PolarHBondContact O-N 3.18Å; T372-I499 HydrophobicContact CG2-CD1 4.44Å; T372-I499 HydrophobicContact CG2-CG2 4.02Å
373	L	98.5	Very high	98	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-59.7	-45.3	175.8	-76.4	170.4	0	0	0	111.6	V369 L370 R376 E377 I499 L503 I659 N662	V369-L373 HydrophobicContact CG1-CD1 4.23Å; V369-L373 WeakPolarHBondContact O-CG 3.46Å; V369-L373 PolarHBondContact O-N 2.6Å; L370-L373 HydrophobicContact CD2-CD1 4.41Å; L370-L373 WeakPolarHBondContact O-CB 3.27Å; L370-L373 PolarHBondContact O-N 3.05Å; L370-L373 VanDerWaalsContact O-N 3.16Å; L373-R376 WeakPolarHBondContact O-CB 3.47Å; L373-R376 PolarHBondContact O-N 2.87Å; L373-E377 PolarHBondContact O-N 3.46Å; L373-I499 HydrophobicContact CD2-CD1 3.82Å; L373-I499 HydrophobicContact CG-CD1 4.05Å; L373-L503 HydrophobicContact CD1-CD1 3.94Å; L373-L503 HydrophobicContact CD1-CD2 3.94Å; L373-L503 HydrophobicContact CD2-CD2 4.13Å; L373-L503 HydrophobicContact CG-CD2 4.47Å; L373-I659 HydrophobicContact CD1-CG1 4.03Å; L373-N662 HydrophobicContact CD2-CB 3.77Å
374	W	98.8	Very high	98.3	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-75.8	-29	-177.6	-70.7	107.8	0	0	0	114	W201 Y204 V296 L370 H371 T372 E377 H378 V405 L408 H409 I412 L655 I658	W201-W374 AromaticContact CH2-CZ2 3.74Å; W201-W374 HydrophobicContact CH2-CZ2 3.74Å; W201-W374 HydrophobicContact CZ3-CZ2 4.01Å; W201-W374 AromaticContact CZ3-NE1 3.68Å; Y204-W374 AromaticContact CE1-CD1 3.81Å; Y204-W374 AromaticContact CE1-NE1 3.63Å; Y204-W374 AromaticContact CZ-CD1 3.42Å; Y204-W374 VanDerWaalsContact CZ-CD1 3.42Å; Y204-W374 AromaticContact CZ-NE1 3.76Å; Y204-W374 PolarHBondContact OH-NE1 3.42Å; V296-W374 HydrophobicContact CG2-CB 3.87Å; L370-W374 PolarHBondContact O-N 3.41Å; L370-W374 VanDerWaalsContact O-N 3.08Å; H371-W374 PolarHBondContact O-N 2.69Å; T372-W374 PolarHBondContact O-N 2.86Å; W374-E377 HydrophobicContact CE3-CB 4.22Å; W374-E377 HydrophobicContact CE3-CG 4.22Å; W374-E377 HydrophobicContact CZ3-CG 4.28Å; W374-E377 PolarHBondContact O-N 3.46Å; W374-H378 PolarHBondContact O-N 3.22Å; W374-V405 HydrophobicContact CE3-CG1 3.82Å; W374-V405 HydrophobicContact CZ3-CG1 4.21Å; W374-L408 HydrophobicContact CH2-CB 3.81Å; W374-L408 HydrophobicContact CH2-CD1 4.43Å; W374-L408 HydrophobicContact CZ3-CB 3.99Å; W374-L408 HydrophobicContact CZ3-CD1 4.05Å; W374-H409 AromaticContact CD2-CE1 3.39Å; W374-H409 AromaticContact CE2-CE1 3.56Å; W374-H409 AromaticContact CE2-NE2 3.95Å; W374-H409 AromaticContact CE3-CE1 3.61Å; W374-H409 AromaticContact CG-CE1 3.84Å; W374-H409 AromaticContact CZ2-CE1 3.93Å; W374-H409 AromaticContact CZ3-CE1 3.97Å; W374-I412 HydrophobicContact CH2-CD1 3.75Å; W374-I412 HydrophobicContact CZ2-CD1 3.82Å; W374-L655 HydrophobicContact CZ2-CD1 4.21Å; W374-I658 HydrophobicContact CE3-CG2 4.43Å; W374-I658 HydrophobicContact CH2-CG1 4.02Å; W374-I658 HydrophobicContact CH2-CG2 4.35Å; W374-I658 HydrophobicContact CZ3-CD1 4.5Å; W374-I658 HydrophobicContact CZ3-CG1 4.3Å; W374-I658 HydrophobicContact CZ3-CG2 4.29Å
375	L	98.8	Very high	98.5	Very high	7 Å²	7	11.4 Å²	11.4	4%	0.037	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-49.9	165.1	176.3	93.5	0	0	0	110.8	L317 V319 P330 L332 H371 T372 E377 H378 N379	L317-L375 HydrophobicContact CB-CD1 3.59Å; L317-L375 HydrophobicContact CD1-CD1 3.91Å; L317-L375 HydrophobicContact CG-CD1 4.4Å; V319-L375 HydrophobicContact CG1-CD2 4.35Å; P330-L375 HydrophobicContact CB-CD2 4.47Å; L332-L375 HydrophobicContact CD2-CB 3.98Å; L332-L375 HydrophobicContact CD2-CD1 4.15Å; L332-L375 HydrophobicContact CD2-CD2 4.13Å; L332-L375 HydrophobicContact CD2-CG 4.31Å; H371-L375 WeakPolarHBondContact O-CB 3.2Å; H371-L375 PolarHBondContact O-N 3.29Å; T372-L375 PolarHBondContact O-N 3Å; L375-E377 VanDerWaalsContact C-N 3.32Å; L375-E377 PolarHBondContact O-N 2.83Å; L375-H378 PolarHBondContact O-N 3Å; L375-N379 PolarHBondContact O-N 2.69Å; L375-N379 VanDerWaalsContact O-N 3.14Å
376	R	98.8	Very high	98.4	Very high	10 Å²	10	14.9 Å²	14.9	4%	0.038	7%	0.074	C	C	.	.	H	α-helix	trans	-61.5	-43	179.7	-71.3	171.2	178.2	-166.8	-3.3	110.8	D325 P330 T372 L373 N379 R380 E500 N662	D325-R376 IonicContact OD2-CZ 3.39Å; D325-R376 IonicContact OD2-NH1 2.71Å; D325-R376 PolarHBondContact OD2-NH1 3.45Å; D325-R376 IonicContact OD2-NH2 3.49Å; D325-R376 PolarHBondContact OD2-NH2 2.9Å; P330-R376 HydrophobicContact CG-CG 4.12Å; P330-R376 PolarHBondContact O-NE 3.37Å; P330-R376 PolarHBondContact O-NH2 3.31Å; T372-R376 VanDerWaalsContact O-CG 3.27Å; T372-R376 WeakPolarHBondContact O-CG 3.49Å; T372-R376 PolarHBondContact O-N 3.18Å; L373-R376 WeakPolarHBondContact O-CB 3.47Å; L373-R376 PolarHBondContact O-N 2.87Å; R376-N379 PolarHBondContact O-N 3.29Å; R376-R380 WeakPolarHBondContact O-CB 3.39Å; R376-R380 PolarHBondContact O-N 2.99Å; R376-E500 IonicContact NH1-OE1 3.57Å; R376-N662 HydrophobicContact CB-CB 3.9Å; R376-N662 VanDerWaalsContact CB-OD1 3.27Å; R376-N662 WeakPolarHBondContact CB-OD1 3.48Å; R376-N662 WeakPolarHBondContact CD-O 3.39Å; R376-N662 PolarHBondContact NH1-O 3.25Å; R376-N662 PolarHBondContact O-OD1 3.34Å
377	E	98.9	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-45.4	178.8	-179.8	58.1	-168.7	0	0	111.8	L373 W374 L375 N379 R380 L381 V405 I658 N662	L373-E377 PolarHBondContact O-N 3.46Å; W374-E377 HydrophobicContact CE3-CB 4.22Å; W374-E377 HydrophobicContact CE3-CG 4.22Å; W374-E377 HydrophobicContact CZ3-CG 4.28Å; W374-E377 PolarHBondContact O-N 3.46Å; L375-E377 VanDerWaalsContact C-N 3.32Å; L375-E377 PolarHBondContact O-N 2.83Å; E377-N379 VanDerWaalsContact C-N 3.33Å; E377-N379 PolarHBondContact O-N 3.11Å; E377-R380 PolarHBondContact O-N 3.25Å; E377-R380 IonicContact OE1-CZ 3.85Å; E377-R380 IonicContact OE1-NE 3.51Å; E377-R380 IonicContact OE1-NH2 3.22Å; E377-R380 PolarHBondContact OE1-NH2 3.09Å; E377-R380 IonicContact OE2-CZ 2.88Å; E377-R380 IonicContact OE2-NE 3.83Å; E377-R380 PolarHBondContact OE2-NE 3.06Å; E377-R380 IonicContact OE2-NH2 3.01Å; E377-R380 PolarHBondContact OE2-NH2 2.92Å; E377-L381 HydrophobicContact CG-CD1 4.03Å; E377-L381 HydrophobicContact CG-CG 4.34Å; E377-L381 WeakPolarHBondContact O-CB 3.47Å; E377-L381 VanDerWaalsContact O-CG 3.24Å; E377-L381 WeakPolarHBondContact O-CG 3.03Å; E377-L381 PolarHBondContact O-N 3.36Å; E377-L381 WeakPolarHBondContact OE1-CG 3.4Å; E377-V405 HydrophobicContact CG-CG2 4.47Å; E377-I658 HydrophobicContact CB-CG2 4.27Å; E377-I658 HydrophobicContact CG-CD1 4.04Å; E377-I658 HydrophobicContact CG-CG2 4.36Å; E377-N662 WeakPolarHBondContact CA-OD1 3.21Å; E377-N662 PolarHBondContact N-OD1 3.07Å; E377-N662 VanDerWaalsContact N-OD1 3.16Å; E377-N662 PolarHBondContact OE2-ND2 2.91Å
378	H	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.4	-49.5	174.8	176.3	94.4	0	0	0	111.6	Y297 G315 L317 W374 L375 R380 L381 A382 F398 V405	Y297-H378 AromaticContact CE1-CE1 3.69Å; Y297-H378 AromaticContact CE1-ND1 3.29Å; Y297-H378 VanDerWaalsContact CE1-ND1 3.29Å; Y297-H378 WeakPolarHBondContact CE1-ND1 3.36Å; Y297-H378 AromaticContact CZ-ND1 3.53Å; Y297-H378 PolarHBondContact OH-ND1 3.19Å; G315-H378 PolarHBondContact O-NE2 3.42Å; G315-H378 VanDerWaalsContact O-NE2 3.11Å; L317-H378 HydrophobicContact CD1-CB 3.83Å; L317-H378 HydrophobicContact CG-CB 4.47Å; W374-H378 PolarHBondContact O-N 3.22Å; L375-H378 PolarHBondContact O-N 3Å; H378-R380 VanDerWaalsContact C-N 3.33Å; H378-R380 PolarHBondContact O-N 2.93Å; H378-L381 PolarHBondContact O-N 3.44Å; H378-A382 WeakPolarHBondContact O-CB 2.99Å; H378-A382 PolarHBondContact O-N 2.93Å; H378-F398 AromaticContact CE1-CD2 3.53Å; H378-F398 AromaticContact CE1-CE2 3.83Å; H378-F398 AromaticContact NE2-CD2 3.64Å; H378-V405 HydrophobicContact CB-CG2 4.48Å
379	N	98.8	Very high	98.1	Very high	15 Å²	15	21 Å²	21	8%	0.08	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-36.2	-177.7	-76.5	-1.8	0	0	0	112.2	K316 L317 L375 R376 E377 A382 D383	K316-N379 WeakPolarHBondContact CB-OD1 3.39Å; K316-N379 HydrophobicContact CD-CB 4.44Å; K316-N379 HydrophobicContact CG-CB 4.46Å; L317-N379 PolarHBondContact N-OD1 3.37Å; L317-N379 PolarHBondContact O-ND2 3.06Å; L375-N379 PolarHBondContact O-N 2.69Å; L375-N379 VanDerWaalsContact O-N 3.14Å; R376-N379 PolarHBondContact O-N 3.29Å; E377-N379 VanDerWaalsContact C-N 3.33Å; E377-N379 PolarHBondContact O-N 3.11Å; N379-A382 PolarHBondContact O-N 3.44Å; N379-D383 PolarHBondContact O-N 2.81Å
380	R	98.4	Very high	97.8	Very high	56 Å²	56	28.3 Å²	28.3	21%	0.211	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-44.1	174.4	-171.4	-164.1	70.8	83.5	-9	112.1	R376 E377 H378 T384 E661	R376-R380 WeakPolarHBondContact O-CB 3.39Å; R376-R380 PolarHBondContact O-N 2.99Å; E377-R380 PolarHBondContact O-N 3.25Å; E377-R380 IonicContact OE1-CZ 3.85Å; E377-R380 IonicContact OE1-NE 3.51Å; E377-R380 IonicContact OE1-NH2 3.22Å; E377-R380 PolarHBondContact OE1-NH2 3.09Å; E377-R380 IonicContact OE2-CZ 2.88Å; E377-R380 IonicContact OE2-NE 3.83Å; E377-R380 PolarHBondContact OE2-NE 3.06Å; E377-R380 IonicContact OE2-NH2 3.01Å; E377-R380 PolarHBondContact OE2-NH2 2.92Å; H378-R380 VanDerWaalsContact C-N 3.33Å; H378-R380 PolarHBondContact O-N 2.93Å; R380-T384 PolarHBondContact O-N 3.26Å; R380-T384 PolarHBondContact O-OG1 3.2Å; R380-E661 IonicContact CZ-OE2 2.66Å; R380-E661 IonicContact NE-OE2 3.44Å; R380-E661 PolarHBondContact NE-OE2 3.49Å; R380-E661 IonicContact NH1-OE2 2.91Å; R380-E661 IonicContact NH2-OE2 3.22Å; R380-E661 PolarHBondContact NH2-OE2 3.46Å
381	L	98.7	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-47.2	174.9	-67.3	172.4	0	0	0	110.6	E377 H378 D383 T384 L385 A401 I404 V405 L691 L693	E377-L381 HydrophobicContact CG-CD1 4.03Å; E377-L381 HydrophobicContact CG-CG 4.34Å; E377-L381 WeakPolarHBondContact O-CB 3.47Å; E377-L381 VanDerWaalsContact O-CG 3.24Å; E377-L381 WeakPolarHBondContact O-CG 3.03Å; E377-L381 PolarHBondContact O-N 3.36Å; E377-L381 WeakPolarHBondContact OE1-CG 3.4Å; H378-L381 PolarHBondContact O-N 3.44Å; L381-D383 PolarHBondContact O-N 2.81Å; L381-T384 PolarHBondContact O-N 3.39Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 VanDerWaalsContact O-CG 3.24Å; L381-L385 WeakPolarHBondContact O-CG 3.48Å; L381-L385 PolarHBondContact O-N 2.99Å; L381-A401 HydrophobicContact CB-CB 4.1Å; L381-I404 HydrophobicContact CD1-CB 4.14Å; L381-I404 HydrophobicContact CD1-CG2 3.73Å; L381-I404 HydrophobicContact CD2-CG2 4.33Å; L381-V405 HydrophobicContact CD1-CG2 3.71Å; L381-L691 HydrophobicContact CD2-CD2 4.1Å; L381-L693 HydrophobicContact CD2-CD1 3.8Å; L381-L693 HydrophobicContact CD2-CD2 3.97Å; L381-L693 HydrophobicContact CD2-CG 4.33Å
382	A	98.6	Very high	97.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-45.9	179.2	0	0	0	0	0	112.3	K316 H378 N379 T384 K386 V397 A401	K316-A382 HydrophobicContact CG-CB 4.06Å; H378-A382 WeakPolarHBondContact O-CB 2.99Å; H378-A382 PolarHBondContact O-N 2.93Å; N379-A382 PolarHBondContact O-N 3.44Å; A382-T384 PolarHBondContact O-N 2.66Å; A382-K386 WeakPolarHBondContact O-CB 3.12Å; A382-K386 PolarHBondContact O-N 3.14Å; A382-V397 HydrophobicContact CB-CG1 3.67Å; A382-V397 WeakPolarHBondContact O-CG1 3.28Å; A382-A401 HydrophobicContact CB-CB 4.43Å
383	D	97.9	Very high	96.7	Very high	84 Å²	84	31.6 Å²	31.6	45%	0.449	15%	0.154	S	C	.	.	H	α-helix	trans	-58	-47.6	175.4	-86.1	-39.2	0	0	0	112.2	K316 N379 L381 L387	K316-D383 WeakPolarHBondContact CE-OD1 3.4Å; K316-D383 VanDerWaalsContact CE-OD2 3.3Å; K316-D383 WeakPolarHBondContact CE-OD2 3.3Å; K316-D383 IonicContact NZ-OD1 3.38Å; K316-D383 PolarHBondContact NZ-OD1 3.32Å; K316-D383 IonicContact NZ-OD2 2.66Å; K316-D383 PolarHBondContact NZ-OD2 3.3Å; N379-D383 PolarHBondContact O-N 2.81Å; L381-D383 PolarHBondContact O-N 2.81Å; D383-L387 WeakPolarHBondContact O-CB 3.49Å; D383-L387 PolarHBondContact O-N 2.93Å
384	T	97.9	Very high	96.5	Very high	46 Å²	46	32.9 Å²	32.9	28%	0.282	16%	0.162	S	C	.	.	H	α-helix	trans	-70.3	-42.8	-176.5	-51.2	0	0	0	0	111.5	R380 L381 A382 K386 L387 I388 L693	R380-T384 PolarHBondContact O-N 3.26Å; R380-T384 PolarHBondContact O-OG1 3.2Å; L381-T384 PolarHBondContact O-N 3.39Å; A382-T384 PolarHBondContact O-N 2.66Å; T384-K386 PolarHBondContact O-N 2.97Å; T384-L387 WeakPolarHBondContact O-CB 3.4Å; T384-L387 PolarHBondContact O-N 3.05Å; T384-I388 WeakPolarHBondContact O-CG1 3.36Å; T384-I388 PolarHBondContact O-N 3.18Å; T384-L693 HydrophobicContact CG2-CB 4.28Å; T384-L693 HydrophobicContact CG2-CD1 3.59Å
385	L	98.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-43.1	176.9	-72.6	171.5	0	0	0	111.3	L381 L387 I388 N389 W392 E400 A401 I404 L693 W696	L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 VanDerWaalsContact O-CG 3.24Å; L381-L385 WeakPolarHBondContact O-CG 3.48Å; L381-L385 PolarHBondContact O-N 2.99Å; L385-L387 VanDerWaalsContact C-N 3.3Å; L385-L387 PolarHBondContact O-N 3.25Å; L385-I388 HydrophobicContact CD2-CD1 4.38Å; L385-I388 WeakPolarHBondContact O-CG1 3.14Å; L385-I388 PolarHBondContact O-N 3.08Å; L385-N389 VanDerWaalsContact O-CB 3.32Å; L385-N389 WeakPolarHBondContact O-CB 3.07Å; L385-N389 PolarHBondContact O-N 2.9Å; L385-W392 HydrophobicContact CB-CE3 4.44Å; L385-W392 HydrophobicContact CB-CZ3 4.07Å; L385-W392 HydrophobicContact CD1-CZ3 4.36Å; L385-W392 HydrophobicContact CD2-CH2 4.3Å; L385-W392 HydrophobicContact CD2-CZ3 3.96Å; L385-W392 HydrophobicContact CG-CZ3 4.36Å; L385-E400 HydrophobicContact CD1-CB 4.07Å; L385-A401 HydrophobicContact CD1-CB 4.17Å; L385-I404 HydrophobicContact CD1-CD1 4.13Å; L385-L693 HydrophobicContact CD2-CD1 4.46Å; L385-L693 HydrophobicContact CD2-CD2 4.41Å; L385-L693 HydrophobicContact CG-CD1 4.34Å; L385-W696 HydrophobicContact CD2-CB 3.66Å; L385-W696 HydrophobicContact CD2-CG 4.11Å
386	K	95.9	Very high	95.9	Very high	73 Å²	73	34.3 Å²	34.3	32%	0.317	17%	0.171	S	C	.	.	H	α-helix	trans	-65.1	-35.6	176	-175.3	52.7	170.8	174.6	0	112.1	A382 T384 N389 Q390 W392 V397	A382-K386 WeakPolarHBondContact O-CB 3.12Å; A382-K386 PolarHBondContact O-N 3.14Å; T384-K386 PolarHBondContact O-N 2.97Å; K386-N389 CarbonylContact O-C 3.53Å; K386-Q390 PolarHBondContact NZ-O 3.37Å; K386-Q390 WeakPolarHBondContact O-CA 3.3Å; K386-Q390 PolarHBondContact O-N 3.34Å; K386-W392 PolarHBondContact NZ-O 3.12Å; K386-V397 HydrophobicContact CB-CG1 4.46Å; K386-V397 HydrophobicContact CB-CG2 4.05Å; K386-V397 HydrophobicContact CD-CG2 4.04Å
387	L	96.1	Very high	95.9	Very high	122 Å²	122	33.8 Å²	33.8	64%	0.639	17%	0.169	S	C	*	.	H	α-helix	trans	-65.6	-46.9	177.6	-177.9	67	0	0	0	112.1	D383 T384 L385	D383-L387 WeakPolarHBondContact O-CB 3.49Å; D383-L387 PolarHBondContact O-N 2.93Å; T384-L387 WeakPolarHBondContact O-CB 3.4Å; T384-L387 PolarHBondContact O-N 3.05Å; L385-L387 VanDerWaalsContact C-N 3.3Å; L385-L387 PolarHBondContact O-N 3.25Å
388	I	96.6	Very high	95.8	Very high	24 Å²	24	33.8 Å²	33.8	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-77.9	-28.2	-178.7	67.2	177.7	0	0	0	112.5	T384 L385 L693	T384-I388 WeakPolarHBondContact O-CG1 3.36Å; T384-I388 PolarHBondContact O-N 3.18Å; L385-I388 HydrophobicContact CD2-CD1 4.38Å; L385-I388 WeakPolarHBondContact O-CG1 3.14Å; L385-I388 PolarHBondContact O-N 3.08Å; I388-L693 HydrophobicContact CD1-CB 4.2Å; I388-L693 WeakPolarHBondContact CD1-O 3.15Å
389	N	95.6	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.			trans	-119.8	67.6	-179.9	-58	-42.6	0	0	0	110.9	L385 K386 H391 W392 W696 R697 D698	L385-N389 VanDerWaalsContact O-CB 3.32Å; L385-N389 WeakPolarHBondContact O-CB 3.07Å; L385-N389 PolarHBondContact O-N 2.9Å; K386-N389 CarbonylContact O-C 3.53Å; N389-H391 PolarHBondContact O-N 3.16Å; N389-W392 HydrophobicContact CB-CB 4.29Å; N389-W392 HydrophobicContact CB-CD2 3.46Å; N389-W392 VanDerWaalsContact CB-CD2 3.46Å; N389-W392 HydrophobicContact CB-CE3 3.98Å; N389-W392 HydrophobicContact CB-CG 3.58Å; N389-W392 HydrophobicContact CB-CZ2 4.25Å; N389-W392 WeakPolarHBondContact ND2-CH2 3.41Å; N389-W392 WeakPolarHBondContact ND2-CZ2 3.4Å; N389-W392 WeakPolarHBondContact ND2-CZ3 3.4Å; N389-W392 WeakPolarHBondContact O-CB 3.33Å; N389-W392 PolarHBondContact O-N 3.12Å; N389-W696 PolarHBondContact ND2-O 2.69Å; N389-R697 WeakPolarHBondContact OD1-CA 3.4Å; N389-D698 PolarHBondContact OD1-N 3.22Å
390	Q	92.2	Very high	95.7	Very high	153 Å²	153	34.3 Å²	34.3	72%	0.715	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.8	-176.2	-64.7	-177	-1.7	0	0	113.7	K386	K386-Q390 PolarHBondContact NZ-O 3.37Å; K386-Q390 WeakPolarHBondContact O-CA 3.3Å; K386-Q390 PolarHBondContact O-N 3.34Å
391	H	90.3	Very high	95.7	Very high	43 Å²	43	31.7 Å²	31.7	20%	0.199	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.1	-178.8	66.6	-81.4	0	0	0	114.4	N389 D698 P700 L704	N389-H391 PolarHBondContact O-N 3.16Å; H391-D698 PolarHBondContact CE1-O 2.95Å; H391-D698 VanDerWaalsContact CE1-O 3.23Å; H391-D698 IonicContact NE2-OD2 3.02Å; H391-P700 HydrophobicContact CB-CG 4.42Å; H391-L704 HydrophobicContact CB-CD2 3.97Å
392	W	92.5	Very high	95.7	Very high	22 Å²	22	32.1 Å²	32.1	8%	0.083	16%	0.162	C	C	.	.	S	Bend	trans	-70.4	140.3	177.2	-75.9	6	0	0	0	112	L385 K386 N389 A396 V397 E400 D698	L385-W392 HydrophobicContact CB-CE3 4.44Å; L385-W392 HydrophobicContact CB-CZ3 4.07Å; L385-W392 HydrophobicContact CD1-CZ3 4.36Å; L385-W392 HydrophobicContact CD2-CH2 4.3Å; L385-W392 HydrophobicContact CD2-CZ3 3.96Å; L385-W392 HydrophobicContact CG-CZ3 4.36Å; K386-W392 PolarHBondContact NZ-O 3.12Å; N389-W392 HydrophobicContact CB-CB 4.29Å; N389-W392 HydrophobicContact CB-CD2 3.46Å; N389-W392 VanDerWaalsContact CB-CD2 3.46Å; N389-W392 HydrophobicContact CB-CE3 3.98Å; N389-W392 HydrophobicContact CB-CG 3.58Å; N389-W392 HydrophobicContact CB-CZ2 4.25Å; N389-W392 WeakPolarHBondContact ND2-CH2 3.41Å; N389-W392 WeakPolarHBondContact ND2-CZ2 3.4Å; N389-W392 WeakPolarHBondContact ND2-CZ3 3.4Å; N389-W392 WeakPolarHBondContact O-CB 3.33Å; N389-W392 PolarHBondContact O-N 3.12Å; W392-A396 HydrophobicContact CB-CB 4.12Å; W392-A396 HydrophobicContact CG-CB 4.33Å; W392-V397 HydrophobicContact CB-CG2 4.03Å; W392-V397 HydrophobicContact CE3-CG2 4.23Å; W392-E400 HydrophobicContact CE3-CG 4.41Å; W392-E400 HydrophobicContact CH2-CB 4.14Å; W392-E400 HydrophobicContact CH2-CG 3.71Å; W392-E400 HydrophobicContact CZ3-CB 3.73Å; W392-E400 HydrophobicContact CZ3-CG 3.64Å; W392-D698 HydrophobicContact CZ2-CB 4Å; W392-D698 PolarHBondContact NE1-OD2 2.88Å
393	S	91.4	Very high	95.7	Very high	7 Å²	7	34 Å²	34	5%	0.049	17%	0.17	C	C	.	.			trans	-68.2	158.9	170	62.7	0	0	0	0	111	E395 A396 V397 F718	S393-E395 PolarHBondContact O-N 3.02Å; S393-A396 PolarHBondContact O-N 2.77Å; S393-A396 VanDerWaalsContact O-N 3.12Å; S393-A396 WeakPolarHBondContact OG-CB 3.4Å; S393-A396 PolarHBondContact OG-N 3.32Å; S393-V397 WeakPolarHBondContact O-CG2 3.28Å; S393-V397 PolarHBondContact O-N 3.36Å; S393-F718 WeakPolarHBondContact CB-O 3.46Å; S393-F718 PolarHBondContact OG-O 3.18Å
394	P	93	Very high	95.8	Very high	27 Å²	27	30 Å²	30	18%	0.175	15%	0.149	C	C	.	.	H	α-helix	trans	-56.1	-39.4	174.4	-22.8	34.1	0	0	0	112.6	R313 G315 V397 F398 D717	R313-P394 HydrophobicContact CB-CG 3.96Å; R313-P394 WeakPolarHBondContact O-CG 3.4Å; G315-P394 WeakPolarHBondContact CA-O 3.32Å; P394-V397 PolarHBondContact O-N 2.94Å; P394-F398 PolarHBondContact O-N 2.81Å; P394-D717 WeakPolarHBondContact CB-OD2 3.46Å; P394-D717 WeakPolarHBondContact CD-OD2 3.4Å
395	E	92.8	Very high	95.8	Very high	26 Å²	26	27.8 Å²	27.8	12%	0.121	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-43.6	173.3	-177.9	59.5	-155.6	0	0	112.7	R308 S393 V397 F398 Q399 D717 L719	R308-E395 IonicContact CZ-OE2 3.74Å; R308-E395 IonicContact NH1-OE1 3.58Å; R308-E395 IonicContact NH1-OE2 3.54Å; R308-E395 PolarHBondContact NH1-OE2 2.96Å; R308-E395 IonicContact NH2-OE2 3.56Å; R308-E395 PolarHBondContact NH2-OE2 2.63Å; S393-E395 PolarHBondContact O-N 3.02Å; E395-V397 VanDerWaalsContact C-N 3.35Å; E395-V397 PolarHBondContact O-N 2.65Å; E395-F398 PolarHBondContact O-N 3.33Å; E395-Q399 HydrophobicContact CG-CG 4.42Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 3.04Å; E395-Q399 WeakPolarHBondContact OE1-CG 3.13Å; E395-Q399 PolarHBondContact OE1-NE2 3.46Å; E395-D717 HydrophobicContact CB-CB 3.86Å; E395-D717 VanDerWaalsContact CB-OD2 3.32Å; E395-D717 WeakPolarHBondContact CB-OD2 3.38Å; E395-D717 PolarHBondContact N-OD2 2.86Å; E395-L719 HydrophobicContact CB-CD2 4.28Å; E395-L719 HydrophobicContact CG-CD1 4.14Å; E395-L719 HydrophobicContact CG-CD2 3.83Å; E395-L719 HydrophobicContact CG-CG 3.81Å
396	A	93.5	Very high	95.8	Very high	12 Å²	12	28 Å²	28	10%	0.099	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-42.5	176.9	0	0	0	0	0	111.9	W392 S393 Q399 E400 L719	W392-A396 HydrophobicContact CB-CB 4.12Å; W392-A396 HydrophobicContact CG-CB 4.33Å; S393-A396 PolarHBondContact O-N 2.77Å; S393-A396 VanDerWaalsContact O-N 3.12Å; S393-A396 WeakPolarHBondContact OG-CB 3.4Å; S393-A396 PolarHBondContact OG-N 3.32Å; A396-Q399 PolarHBondContact O-N 3.44Å; A396-E400 WeakPolarHBondContact O-CB 3.26Å; A396-E400 WeakPolarHBondContact O-CG 3.25Å; A396-E400 PolarHBondContact O-N 3.11Å; A396-L719 HydrophobicContact CB-CD2 3.94Å
397	V	97.3	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-47.8	175.9	174.7	0	0	0	0	111.1	A382 K386 W392 S393 P394 E395 Q399 A401	A382-V397 HydrophobicContact CB-CG1 3.67Å; A382-V397 WeakPolarHBondContact O-CG1 3.28Å; K386-V397 HydrophobicContact CB-CG1 4.46Å; K386-V397 HydrophobicContact CB-CG2 4.05Å; K386-V397 HydrophobicContact CD-CG2 4.04Å; W392-V397 HydrophobicContact CB-CG2 4.03Å; W392-V397 HydrophobicContact CE3-CG2 4.23Å; S393-V397 WeakPolarHBondContact O-CG2 3.28Å; S393-V397 PolarHBondContact O-N 3.36Å; P394-V397 PolarHBondContact O-N 2.94Å; E395-V397 VanDerWaalsContact C-N 3.35Å; E395-V397 PolarHBondContact O-N 2.65Å; V397-Q399 PolarHBondContact O-N 3.23Å; V397-A401 VanDerWaalsContact O-CB 3.32Å; V397-A401 WeakPolarHBondContact O-CB 3.24Å; V397-A401 PolarHBondContact O-N 3.27Å
398	F	97.9	Very high	96.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.9	-48.7	178.4	172.3	-100	0	0	0	111.7	Y297 Q304 R308 G315 L317 H378 P394 E395 A401 R402	Y297-F398 AromaticContact CD1-CE2 3.99Å; Y297-F398 HydrophobicContact CD1-CE2 3.99Å; Y297-F398 AromaticContact CD1-CZ 3.92Å; Y297-F398 HydrophobicContact CD1-CZ 3.92Å; Y297-F398 HydrophobicContact CE1-CE2 4.18Å; Y297-F398 HydrophobicContact CE1-CZ 4.45Å; Q304-F398 HydrophobicContact CG-CE1 4.34Å; Q304-F398 HydrophobicContact CG-CZ 4.02Å; R308-F398 HydrophobicContact CG-CD2 4.06Å; R308-F398 HydrophobicContact CG-CE2 3.62Å; R308-F398 HydrophobicContact CG-CZ 4.01Å; G315-F398 WeakPolarHBondContact O-CA 3.34Å; G315-F398 WeakPolarHBondContact O-CB 3.37Å; L317-F398 HydrophobicContact CD2-CE2 3.96Å; H378-F398 AromaticContact CE1-CD2 3.53Å; H378-F398 AromaticContact CE1-CE2 3.83Å; H378-F398 AromaticContact NE2-CD2 3.64Å; P394-F398 PolarHBondContact O-N 2.81Å; E395-F398 PolarHBondContact O-N 3.33Å; F398-A401 PolarHBondContact O-N 3.06Å; F398-R402 VanDerWaalsContact O-CB 3.24Å; F398-R402 WeakPolarHBondContact O-CB 3.5Å; F398-R402 PolarHBondContact O-N 3.37Å
399	Q	97.1	Very high	96.2	Very high	15 Å²	15	17.7 Å²	17.7	7%	0.07	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-39	-176.8	-67.4	-65.9	-9.7	0	0	112.6	Y121 E395 A396 V397 R402 K403	Y121-Q399 HydrophobicContact CD1-CB 3.77Å; Y121-Q399 HydrophobicContact CD2-CB 3.69Å; Y121-Q399 HydrophobicContact CD2-CG 3.83Å; Y121-Q399 HydrophobicContact CE1-CB 3.74Å; Y121-Q399 HydrophobicContact CE2-CB 3.63Å; Y121-Q399 HydrophobicContact CE2-CG 4.06Å; Y121-Q399 HydrophobicContact CG-CB 3.74Å; Y121-Q399 HydrophobicContact CG-CG 4.12Å; E395-Q399 HydrophobicContact CG-CG 4.42Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 3.04Å; E395-Q399 WeakPolarHBondContact OE1-CG 3.13Å; E395-Q399 PolarHBondContact OE1-NE2 3.46Å; A396-Q399 PolarHBondContact O-N 3.44Å; V397-Q399 PolarHBondContact O-N 3.23Å; Q399-R402 PolarHBondContact O-N 2.98Å; Q399-K403 WeakPolarHBondContact O-CB 3.29Å; Q399-K403 PolarHBondContact O-N 2.92Å
400	E	97.9	Very high	96.4	Very high	11 Å²	11	17.8 Å²	17.8	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-68.7	-41.2	176.4	-69.5	-70.4	172.1	0	0	111.5	K120 Y121 L385 W392 A396 K403 I404	K120-E400 WeakPolarHBondContact CE-OE1 3.39Å; K120-E400 IonicContact NZ-OE1 3.94Å; K120-E400 PolarHBondContact NZ-OE1 3.25Å; Y121-E400 HydrophobicContact CE1-CG 4.25Å; Y121-E400 PolarHBondContact OH-OE1 3.29Å; L385-E400 HydrophobicContact CD1-CB 4.07Å; W392-E400 HydrophobicContact CE3-CG 4.41Å; W392-E400 HydrophobicContact CH2-CB 4.14Å; W392-E400 HydrophobicContact CH2-CG 3.71Å; W392-E400 HydrophobicContact CZ3-CB 3.73Å; W392-E400 HydrophobicContact CZ3-CG 3.64Å; A396-E400 WeakPolarHBondContact O-CB 3.26Å; A396-E400 WeakPolarHBondContact O-CG 3.25Å; A396-E400 PolarHBondContact O-N 3.11Å; E400-K403 PolarHBondContact O-N 3.16Å; E400-I404 WeakPolarHBondContact O-CG1 3.5Å; E400-I404 PolarHBondContact O-N 2.74Å
401	A	98.8	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-45.3	172.6	0	0	0	0	0	111.6	L381 A382 L385 V397 F398 K403 I404 V405	L381-A401 HydrophobicContact CB-CB 4.1Å; A382-A401 HydrophobicContact CB-CB 4.43Å; L385-A401 HydrophobicContact CD1-CB 4.17Å; V397-A401 VanDerWaalsContact O-CB 3.32Å; V397-A401 WeakPolarHBondContact O-CB 3.24Å; V397-A401 PolarHBondContact O-N 3.27Å; F398-A401 PolarHBondContact O-N 3.06Å; A401-K403 VanDerWaalsContact C-N 3.33Å; A401-K403 PolarHBondContact O-N 3.29Å; A401-I404 PolarHBondContact O-N 3.14Å; A401-V405 WeakPolarHBondContact O-CG2 3.46Å; A401-V405 PolarHBondContact O-N 3.28Å
402	R	98.8	Very high	97.1	Very high	10 Å²	10	8.6 Å²	8.6	4%	0.038	5%	0.045	C	C	.	.	H	α-helix	trans	-57	-45.2	173.9	170.6	172.8	176.4	-126.7	-0	112	R122 S123 Y297 F398 Q399 V405 G406	R122-R402 PolarHBondContact O-NH1 2.94Å; S123-R402 PolarHBondContact O-NH2 2.82Å; Y297-R402 HydrophobicContact CD1-CB 4.38Å; Y297-R402 HydrophobicContact CD1-CG 4.25Å; Y297-R402 HydrophobicContact CD2-CB 4.43Å; Y297-R402 HydrophobicContact CD2-CG 3.69Å; Y297-R402 HydrophobicContact CE1-CB 3.99Å; Y297-R402 HydrophobicContact CE1-CG 4.25Å; Y297-R402 HydrophobicContact CE2-CB 4.05Å; Y297-R402 HydrophobicContact CE2-CG 3.69Å; Y297-R402 HydrophobicContact CG-CG 4Å; Y297-R402 WeakPolarHBondContact OH-CA 3.3Å; F398-R402 VanDerWaalsContact O-CB 3.24Å; F398-R402 WeakPolarHBondContact O-CB 3.5Å; F398-R402 PolarHBondContact O-N 3.37Å; Q399-R402 PolarHBondContact O-N 2.98Å; R402-V405 PolarHBondContact O-N 2.98Å; R402-G406 PolarHBondContact O-N 3.42Å
403	K	98.6	Very high	97.4	Very high	38 Å²	38	7.5 Å²	7.5	17%	0.165	4%	0.041	C	C	.	.	H	α-helix	trans	-63.4	-42.9	179.8	-169.1	-176.4	175.8	172.3	0	111.9	Y121 Q399 E400 A401 A407 V641 F642	Y121-K403 HydrophobicContact CD1-CD 4.28Å; Y121-K403 HydrophobicContact CE1-CD 4.36Å; Q399-K403 WeakPolarHBondContact O-CB 3.29Å; Q399-K403 PolarHBondContact O-N 2.92Å; E400-K403 PolarHBondContact O-N 3.16Å; A401-K403 VanDerWaalsContact C-N 3.33Å; A401-K403 PolarHBondContact O-N 3.29Å; K403-A407 PolarHBondContact O-N 2.88Å; K403-V641 WeakPolarHBondContact CE-O 3.21Å; K403-V641 PolarHBondContact NZ-O 3.4Å; K403-F642 HydrophobicContact CD-CE1 4.11Å; K403-F642 HydrophobicContact CD-CZ 4.1Å; K403-F642 HydrophobicContact CG-CE1 4.08Å; K403-F642 HydrophobicContact CG-CE2 4.34Å; K403-F642 HydrophobicContact CG-CZ 3.63Å
404	I	98.9	Very high	97.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.5	-49.4	174.4	-67	166.8	0	0	0	110.5	L381 L385 E400 A401 G406 A407 L408 L650 L691 L693 W696	L381-I404 HydrophobicContact CD1-CB 4.14Å; L381-I404 HydrophobicContact CD1-CG2 3.73Å; L381-I404 HydrophobicContact CD2-CG2 4.33Å; L385-I404 HydrophobicContact CD1-CD1 4.13Å; E400-I404 WeakPolarHBondContact O-CG1 3.5Å; E400-I404 PolarHBondContact O-N 2.74Å; A401-I404 PolarHBondContact O-N 3.14Å; I404-G406 VanDerWaalsContact C-N 3.33Å; I404-G406 PolarHBondContact O-N 3Å; I404-A407 WeakPolarHBondContact O-CB 3.36Å; I404-A407 PolarHBondContact O-N 3.44Å; I404-A407 VanDerWaalsContact O-N 3.15Å; I404-L408 HydrophobicContact CG2-CD1 4.11Å; I404-L408 HydrophobicContact CG2-CG 4.39Å; I404-L408 WeakPolarHBondContact O-CG 3.26Å; I404-L408 PolarHBondContact O-N 3.14Å; I404-L650 HydrophobicContact CG2-CD2 4.12Å; I404-L691 HydrophobicContact CG2-CD2 3.99Å; I404-L693 HydrophobicContact CD1-CD2 3.82Å; I404-W696 HydrophobicContact CD1-CD2 4.09Å; I404-W696 HydrophobicContact CD1-CG 4.37Å; I404-W696 HydrophobicContact CD1-CZ2 4.05Å; I404-W696 HydrophobicContact CG1-CZ2 3.74Å
405	V	98.9	Very high	98	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60	-43.2	179.6	169.5	0	0	0	0	111.5	A293 Y297 W374 E377 H378 L381 A401 R402 A407 L408 H409	A293-V405 HydrophobicContact CB-CG1 3.99Å; Y297-V405 HydrophobicContact CE2-CB 4.19Å; Y297-V405 HydrophobicContact CE2-CG1 3.95Å; Y297-V405 VanDerWaalsContact OH-CB 3.25Å; Y297-V405 WeakPolarHBondContact OH-CB 3.5Å; Y297-V405 WeakPolarHBondContact OH-CG2 3.43Å; W374-V405 HydrophobicContact CE3-CG1 3.82Å; W374-V405 HydrophobicContact CZ3-CG1 4.21Å; E377-V405 HydrophobicContact CG-CG2 4.47Å; H378-V405 HydrophobicContact CB-CG2 4.48Å; L381-V405 HydrophobicContact CD1-CG2 3.71Å; A401-V405 WeakPolarHBondContact O-CG2 3.46Å; A401-V405 PolarHBondContact O-N 3.28Å; R402-V405 PolarHBondContact O-N 2.98Å; V405-A407 PolarHBondContact O-N 2.79Å; V405-L408 PolarHBondContact O-N 3.5Å; V405-H409 VanDerWaalsContact CG1-CE1 3.5Å; V405-H409 WeakPolarHBondContact CG1-CE1 3.22Å; V405-H409 PolarHBondContact O-N 2.6Å; V405-H409 PolarHBondContact O-ND1 3.22Å
406	G	98.9	Very high	98.3	Very high	4 Å²	4	9.5 Å²	9.5	4%	0.041	5%	0.045	C	C	.	.	H	α-helix	trans	-58.9	-45.4	174.3	0	0	0	0	0	112.2	R402 I404 L408 H409 Q410	R402-G406 PolarHBondContact O-N 3.42Å; I404-G406 VanDerWaalsContact C-N 3.33Å; I404-G406 PolarHBondContact O-N 3Å; G406-L408 VanDerWaalsContact C-N 3.31Å; G406-L408 PolarHBondContact O-N 3.05Å; G406-H409 WeakPolarHBondContact O-CB 3.47Å; G406-H409 PolarHBondContact O-N 3.28Å; G406-H409 VanDerWaalsContact O-N 3.17Å; G406-Q410 WeakPolarHBondContact O-CG 3.41Å; G406-Q410 PolarHBondContact O-N 2.94Å
407	A	98.9	Very high	98.5	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.017	4%	0.042	C	C	.	.	H	α-helix	trans	-61	-38.2	175.3	0	0	0	0	0	112.8	K403 I404 V405 Q410 I411 W636 F642 L650	K403-A407 PolarHBondContact O-N 2.88Å; I404-A407 WeakPolarHBondContact O-CB 3.36Å; I404-A407 PolarHBondContact O-N 3.44Å; I404-A407 VanDerWaalsContact O-N 3.15Å; V405-A407 PolarHBondContact O-N 2.79Å; A407-Q410 WeakPolarHBondContact O-CB 3.17Å; A407-Q410 PolarHBondContact O-N 3.22Å; A407-I411 WeakPolarHBondContact O-CB 3.21Å; A407-I411 VanDerWaalsContact O-CG1 3.25Å; A407-I411 WeakPolarHBondContact O-CG1 3.46Å; A407-I411 PolarHBondContact O-N 3.24Å; A407-W636 HydrophobicContact CB-CB 3.7Å; A407-F642 HydrophobicContact CB-CE2 3.64Å; A407-F642 HydrophobicContact CB-CZ 3.79Å; A407-L650 HydrophobicContact CB-CD1 3.99Å; A407-L650 HydrophobicContact CB-CD2 4.18Å
408	L	98.9	Very high	98.6	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-66.6	-37.2	175.9	-65.5	175.2	0	0	0	112.2	W374 I404 V405 G406 I411 I412 L650 T653 I658	W374-L408 HydrophobicContact CH2-CB 3.81Å; W374-L408 HydrophobicContact CH2-CD1 4.43Å; W374-L408 HydrophobicContact CZ3-CB 3.99Å; W374-L408 HydrophobicContact CZ3-CD1 4.05Å; I404-L408 HydrophobicContact CG2-CD1 4.11Å; I404-L408 HydrophobicContact CG2-CG 4.39Å; I404-L408 WeakPolarHBondContact O-CG 3.26Å; I404-L408 PolarHBondContact O-N 3.14Å; V405-L408 PolarHBondContact O-N 3.5Å; G406-L408 VanDerWaalsContact C-N 3.31Å; G406-L408 PolarHBondContact O-N 3.05Å; L408-I411 PolarHBondContact O-N 3.27Å; L408-I412 WeakPolarHBondContact O-CB 3.46Å; L408-I412 WeakPolarHBondContact O-CD1 3.49Å; L408-I412 WeakPolarHBondContact O-CG1 3.41Å; L408-I412 PolarHBondContact O-N 3.18Å; L408-L650 HydrophobicContact CD2-CD2 4.23Å; L408-T653 HydrophobicContact CD1-CG2 4.38Å; L408-T653 HydrophobicContact CD2-CG2 3.59Å; L408-I658 HydrophobicContact CD1-CD1 3.97Å
409	H	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-44	172.4	-75.4	63.3	0	0	0	111.3	Y204 I291 W374 V405 G406 T413	Y204-H409 AromaticContact CE1-CD2 3.88Å; Y204-H409 AromaticContact CE1-NE2 3.47Å; Y204-H409 WeakPolarHBondContact CE1-NE2 3.37Å; Y204-H409 AromaticContact CZ-NE2 3.78Å; Y204-H409 PolarHBondContact OH-NE2 2.77Å; I291-H409 HydrophobicContact CG2-CB 3.77Å; W374-H409 AromaticContact CD2-CE1 3.39Å; W374-H409 AromaticContact CE2-CE1 3.56Å; W374-H409 AromaticContact CE2-NE2 3.95Å; W374-H409 AromaticContact CE3-CE1 3.61Å; W374-H409 AromaticContact CG-CE1 3.84Å; W374-H409 AromaticContact CZ2-CE1 3.93Å; W374-H409 AromaticContact CZ3-CE1 3.97Å; V405-H409 VanDerWaalsContact CG1-CE1 3.5Å; V405-H409 WeakPolarHBondContact CG1-CE1 3.22Å; V405-H409 PolarHBondContact O-N 2.6Å; V405-H409 PolarHBondContact O-ND1 3.22Å; G406-H409 WeakPolarHBondContact O-CB 3.47Å; G406-H409 PolarHBondContact O-N 3.28Å; G406-H409 VanDerWaalsContact O-N 3.17Å; H409-T413 WeakPolarHBondContact O-CB 3.47Å; H409-T413 PolarHBondContact O-N 2.89Å; H409-T413 PolarHBondContact O-OG1 2.66Å
410	Q	98.9	Very high	98.6	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-49.4	176.3	-70.9	-175.8	-5.2	0	0	112.1	I291 G406 A407 M414 D632 W635	I291-Q410 HydrophobicContact CB-CG 4.01Å; I291-Q410 HydrophobicContact CG2-CG 3.84Å; I291-Q410 VanDerWaalsContact O-CG 3.24Å; I291-Q410 WeakPolarHBondContact O-CG 3.08Å; I291-Q410 PolarHBondContact O-NE2 2.04Å; G406-Q410 WeakPolarHBondContact O-CG 3.41Å; G406-Q410 PolarHBondContact O-N 2.94Å; A407-Q410 WeakPolarHBondContact O-CB 3.17Å; A407-Q410 PolarHBondContact O-N 3.22Å; Q410-M414 WeakPolarHBondContact O-CB 3.42Å; Q410-M414 PolarHBondContact O-N 2.94Å; Q410-D632 PolarHBondContact NE2-OD2 3.45Å; Q410-D632 VanDerWaalsContact NE2-OD2 3.09Å; Q410-W635 HydrophobicContact CB-CE3 4.27Å; Q410-W635 HydrophobicContact CB-CH2 3.56Å; Q410-W635 HydrophobicContact CB-CZ2 4.31Å; Q410-W635 HydrophobicContact CB-CZ3 3.58Å; Q410-W635 HydrophobicContact CG-CE3 3.94Å; Q410-W635 HydrophobicContact CG-CH2 4.03Å; Q410-W635 HydrophobicContact CG-CZ3 3.48Å; Q410-W635 VanDerWaalsContact CG-CZ3 3.48Å
411	I	98.9	Very high	98.6	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-63.7	-54.5	-179.4	-69.8	164.4	0	0	0	110.6	A407 L408 T413 M414 R415 W636 L650	A407-I411 WeakPolarHBondContact O-CB 3.21Å; A407-I411 VanDerWaalsContact O-CG1 3.25Å; A407-I411 WeakPolarHBondContact O-CG1 3.46Å; A407-I411 PolarHBondContact O-N 3.24Å; L408-I411 PolarHBondContact O-N 3.27Å; I411-T413 PolarHBondContact O-N 2.97Å; I411-M414 PolarHBondContact O-N 3.49Å; I411-R415 HydrophobicContact CG2-CB 4.43Å; I411-R415 WeakPolarHBondContact O-CA 3.48Å; I411-R415 WeakPolarHBondContact O-CB 3.4Å; I411-R415 PolarHBondContact O-N 3.32Å; I411-W636 HydrophobicContact CD1-CD2 3.76Å; I411-W636 HydrophobicContact CD1-CE3 3.91Å; I411-W636 HydrophobicContact CD1-CG 4.3Å; I411-W636 HydrophobicContact CD1-CH2 4.39Å; I411-W636 HydrophobicContact CD1-CZ2 4.24Å; I411-W636 HydrophobicContact CD1-CZ3 4.21Å; I411-W636 HydrophobicContact CG1-CD2 3.7Å; I411-W636 VanDerWaalsContact CG1-CE2 3.41Å; I411-W636 HydrophobicContact CG1-CE3 4.33Å; I411-W636 HydrophobicContact CG1-CG 4.05Å; I411-W636 HydrophobicContact CG1-CH2 4.46Å; I411-W636 HydrophobicContact CG1-CZ2 3.85Å; I411-L650 HydrophobicContact CD1-CB 3.69Å
412	I	98.9	Very high	98.6	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.05	C	C	.	.	I	π-helix	trans	-60.3	-40.8	-177.3	-66.7	163.3	0	0	0	109.9	W201 W374 L408 D416 Y417 L655 F673	W201-I412 HydrophobicContact CD2-CG2 4.3Å; W201-I412 HydrophobicContact CH2-CB 4.28Å; W201-I412 HydrophobicContact CH2-CD1 4.34Å; W201-I412 HydrophobicContact CH2-CG2 3.89Å; W201-I412 HydrophobicContact CZ2-CB 3.9Å; W201-I412 HydrophobicContact CZ2-CG2 3.49Å; W201-I412 VanDerWaalsContact CZ2-CG2 3.49Å; W201-I412 HydrophobicContact CZ3-CG2 4.42Å; W374-I412 HydrophobicContact CH2-CD1 3.75Å; W374-I412 HydrophobicContact CZ2-CD1 3.82Å; L408-I412 WeakPolarHBondContact O-CB 3.46Å; L408-I412 WeakPolarHBondContact O-CD1 3.49Å; L408-I412 WeakPolarHBondContact O-CG1 3.41Å; L408-I412 PolarHBondContact O-N 3.18Å; I412-D416 WeakPolarHBondContact O-CA 3.31Å; I412-D416 VanDerWaalsContact O-CB 3.28Å; I412-D416 WeakPolarHBondContact O-CB 3.5Å; I412-D416 PolarHBondContact O-N 2.87Å; I412-Y417 PolarHBondContact O-N 3.15Å; I412-L655 HydrophobicContact CD1-CB 4.02Å; I412-L655 HydrophobicContact CD1-CD1 4.41Å; I412-L655 HydrophobicContact CG1-CB 4.45Å; I412-L655 HydrophobicContact CG2-CB 4.25Å; I412-L655 HydrophobicContact CG2-CD2 4.39Å; I412-F673 HydrophobicContact CG2-CE2 3.88Å; I412-F673 HydrophobicContact CG2-CZ 3.84Å
413	T	98.8	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-66.6	-54.3	179.7	-58.8	0	0	0	0	111.7	W201 I205 I291 H409 I411 Y417 I418	W201-T413 PolarHBondContact NE1-OG1 3.48Å; I205-T413 WeakPolarHBondContact CD1-OG1 3.43Å; I205-T413 HydrophobicContact CG1-CG2 3.91Å; I205-T413 WeakPolarHBondContact CG1-OG1 3.43Å; I291-T413 HydrophobicContact CD1-CG2 3.99Å; H409-T413 WeakPolarHBondContact O-CB 3.47Å; H409-T413 PolarHBondContact O-N 2.89Å; H409-T413 PolarHBondContact O-OG1 2.66Å; I411-T413 PolarHBondContact O-N 2.97Å; T413-Y417 HydrophobicContact CG2-CD1 4.3Å; T413-Y417 WeakPolarHBondContact O-CB 3.12Å; T413-Y417 PolarHBondContact O-N 3.14Å; T413-I418 HydrophobicContact CG2-CD1 4.3Å; T413-I418 HydrophobicContact CG2-CG1 3.96Å; T413-I418 WeakPolarHBondContact O-CG1 3.44Å; T413-I418 PolarHBondContact O-N 3.07Å
414	M	98.6	Very high	98.5	Very high	11 Å²	11	11.9 Å²	11.9	5%	0.054	7%	0.071	C	C	.	.	I	π-helix	trans	-79.2	-33.7	-172.7	-69.9	-61.3	-80.9	0	0	113.9	Q410 I411 I418 P419 F427 I431 M625 R629 W635	Q410-M414 WeakPolarHBondContact O-CB 3.42Å; Q410-M414 PolarHBondContact O-N 2.94Å; I411-M414 PolarHBondContact O-N 3.49Å; M414-I418 HydrophobicContact SD-CG1 4.11Å; M414-P419 VanDerWaalsContact O-CD 3.32Å; M414-P419 WeakPolarHBondContact O-CD 3.46Å; M414-F427 HydrophobicContact CE-CE2 4.43Å; M414-F427 VanDerWaalsContact O-CE2 3.32Å; M414-F427 WeakPolarHBondContact O-CE2 3.48Å; M414-I431 HydrophobicContact CE-CD1 4.09Å; M414-I431 HydrophobicContact CE-CG2 3.51Å; M414-M625 HydrophobicContact CE-CB 4.24Å; M414-M625 HydrophobicContact SD-CB 3.97Å; M414-M625 HydrophobicContact SD-CG 4.49Å; M414-M625 HydrophobicContact SD-SD 4.44Å; M414-R629 HydrophobicContact CE-CB 4.34Å; M414-W635 HydrophobicContact CB-CH2 4.12Å; M414-W635 HydrophobicContact CB-CZ2 4.41Å; M414-W635 HydrophobicContact CG-CH2 3.44Å; M414-W635 VanDerWaalsContact CG-CH2 3.44Å; M414-W635 HydrophobicContact CG-CZ2 4.1Å; M414-W635 HydrophobicContact CG-CZ3 4.35Å
415	R	98.4	Very high	98.4	Very high	64 Å²	64	19.5 Å²	19.5	24%	0.242	11%	0.107	C	C	.	.	I	π-helix	trans	-83.6	-45.3	-179.8	-171.3	-170.4	67.8	-161.6	-6.8	111.8	I411 W651 T653	I411-R415 HydrophobicContact CG2-CB 4.43Å; I411-R415 WeakPolarHBondContact O-CA 3.48Å; I411-R415 WeakPolarHBondContact O-CB 3.4Å; I411-R415 PolarHBondContact O-N 3.32Å; R415-W651 HydrophobicContact CG-CH2 3.87Å; R415-W651 HydrophobicContact CG-CZ3 4.21Å; R415-W651 PolarHBondContact NH1-O 2.76Å; R415-T653 PolarHBondContact NH1-O 2.66Å; R415-T653 PolarHBondContact NH2-O 3.36Å
416	D	98.5	Very high	98.4	Very high	27 Å²	27	20.1 Å²	20.1	14%	0.144	11%	0.111	C	C	.	.	I	π-helix	trans	-104.6	-35.7	-165.4	-55.4	-31.2	0	0	0	112.8	I412 K420 F673	I412-D416 WeakPolarHBondContact O-CA 3.31Å; I412-D416 VanDerWaalsContact O-CB 3.28Å; I412-D416 WeakPolarHBondContact O-CB 3.5Å; I412-D416 PolarHBondContact O-N 2.87Å; D416-K420 VanDerWaalsContact O-CD 3.25Å; D416-K420 WeakPolarHBondContact O-CD 3.49Å; D416-K420 WeakPolarHBondContact O-CG 3.37Å; D416-K420 PolarHBondContact O-NZ 3.42Å; D416-F673 HydrophobicContact CB-CD2 3.89Å; D416-F673 HydrophobicContact CB-CE2 3.67Å
417	Y	98.7	Very high	98.3	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.02	12%	0.118	C	C	.	.	I	π-helix	trans	-93.9	-59.4	-173.9	173.6	-104.1	0	0	0	113.6	L198 W201 G202 I205 I412 T413 K420 V421 F454	L198-Y417 HydrophobicContact CD1-CD2 3.57Å; L198-Y417 HydrophobicContact CD1-CE2 3.94Å; L198-Y417 HydrophobicContact CG-CD2 4.32Å; L198-Y417 HydrophobicContact CG-CE2 4.21Å; L198-Y417 VanDerWaalsContact O-CE2 3.25Å; L198-Y417 WeakPolarHBondContact O-CE2 3.34Å; W201-Y417 HydrophobicContact CB-CD2 4.49Å; W201-Y417 AromaticContact CD1-CD2 3.6Å; W201-Y417 AromaticContact CD1-CG 3.51Å; W201-Y417 HydrophobicContact CG-CD2 4.38Å; G202-Y417 VanDerWaalsContact CA-CZ 3.46Å; G202-Y417 WeakPolarHBondContact CA-OH 3.48Å; I205-Y417 HydrophobicContact CG2-CE1 4.24Å; I412-Y417 PolarHBondContact O-N 3.15Å; T413-Y417 HydrophobicContact CG2-CD1 4.3Å; T413-Y417 WeakPolarHBondContact O-CB 3.12Å; T413-Y417 PolarHBondContact O-N 3.14Å; Y417-K420 WeakPolarHBondContact O-CB 3.36Å; Y417-K420 PolarHBondContact O-N 3.23Å; Y417-V421 HydrophobicContact CD1-CG2 4.11Å; Y417-V421 HydrophobicContact CD2-CG2 4.02Å; Y417-V421 HydrophobicContact CE1-CG2 3.65Å; Y417-V421 HydrophobicContact CE2-CG2 3.52Å; Y417-V421 HydrophobicContact CG-CG2 4.27Å; Y417-V421 PolarHBondContact O-N 2.04Å; Y417-F454 HydrophobicContact CE1-CE2 4.27Å; Y417-F454 AromaticContact CE1-CZ 3.9Å; Y417-F454 HydrophobicContact CE1-CZ 3.9Å
418	I	98.6	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.6	-42.7	-171.3	-62.7	-62.1	0	0	0	113.4	T413 M414 K420 V421 I422 F427 I431 F454 I621 M625	T413-I418 HydrophobicContact CG2-CD1 4.3Å; T413-I418 HydrophobicContact CG2-CG1 3.96Å; T413-I418 WeakPolarHBondContact O-CG1 3.44Å; T413-I418 PolarHBondContact O-N 3.07Å; M414-I418 HydrophobicContact SD-CG1 4.11Å; I418-K420 PolarHBondContact O-N 2.92Å; I418-K420 VanDerWaalsContact O-N 3.16Å; I418-V421 PolarHBondContact O-N 3.39Å; I418-I422 HydrophobicContact CG2-CD1 3.8Å; I418-I422 HydrophobicContact CG2-CG1 4.01Å; I418-I422 WeakPolarHBondContact O-CG1 3.27Å; I418-I422 PolarHBondContact O-N 2.93Å; I418-F427 HydrophobicContact CB-CD2 4.47Å; I418-F427 HydrophobicContact CB-CE2 4.45Å; I418-F427 HydrophobicContact CG2-CD2 3.97Å; I418-F427 HydrophobicContact CG2-CE2 4.27Å; I418-I431 HydrophobicContact CG2-CD1 3.64Å; I418-F454 HydrophobicContact CD1-CE2 4.45Å; I418-I621 HydrophobicContact CD1-CG2 4.33Å; I418-M625 HydrophobicContact CD1-CE 3.7Å; I418-M625 HydrophobicContact CD1-CG 3.83Å; I418-M625 HydrophobicContact CD1-SD 3.9Å; I418-M625 HydrophobicContact CG1-CG 4.12Å; I418-M625 HydrophobicContact CG1-SD 4.23Å; I418-M625 HydrophobicContact CG2-CG 4.47Å
419	P	98.1	Very high	98.2	Very high	33 Å²	33	36.1 Å²	36.1	21%	0.214	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-28.6	175.8	-25.5	34.7	0	0	0	114.1	M414 G423 F427	M414-P419 VanDerWaalsContact O-CD 3.32Å; M414-P419 WeakPolarHBondContact O-CD 3.46Å; P419-G423 CarbonylContact O-C 3.58Å; P419-G423 WeakPolarHBondContact O-CA 3.37Å; P419-G423 PolarHBondContact O-N 2.94Å; P419-F427 HydrophobicContact CB-CD2 4.35Å; P419-F427 HydrophobicContact CG-CD2 3.65Å; P419-F427 HydrophobicContact CG-CE2 3.83Å; P419-F427 HydrophobicContact CG-CG 4.13Å; P419-F427 HydrophobicContact CG-CZ 4.44Å
420	K	97.8	Very high	98.2	Very high	17 Å²	17	37.5 Å²	37.5	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-78.5	-27.3	176.3	-62.2	-179.8	171.8	94.4	0	112.4	Y194 L198 D416 Y417 I418 D671 F673	Y194-K420 HydrophobicContact CD1-CD 3.98Å; Y194-K420 HydrophobicContact CE1-CB 4.02Å; Y194-K420 HydrophobicContact CE1-CD 3.5Å; Y194-K420 HydrophobicContact CE1-CG 3.76Å; Y194-K420 HydrophobicContact CE2-CB 4.24Å; L198-K420 HydrophobicContact CD1-CB 4.02Å; L198-K420 HydrophobicContact CD1-CD 3.91Å; D416-K420 VanDerWaalsContact O-CD 3.25Å; D416-K420 WeakPolarHBondContact O-CD 3.49Å; D416-K420 WeakPolarHBondContact O-CG 3.37Å; D416-K420 PolarHBondContact O-NZ 3.42Å; Y417-K420 WeakPolarHBondContact O-CB 3.36Å; Y417-K420 PolarHBondContact O-N 3.23Å; I418-K420 PolarHBondContact O-N 2.92Å; I418-K420 VanDerWaalsContact O-N 3.16Å; K420-D671 WeakPolarHBondContact CE-OD2 3.29Å; K420-D671 VanDerWaalsContact NZ-CG 3.28Å; K420-D671 IonicContact NZ-OD1 3.49Å; K420-D671 PolarHBondContact NZ-OD1 3.12Å; K420-D671 VanDerWaalsContact NZ-OD1 3.12Å; K420-D671 IonicContact NZ-OD2 3.64Å; K420-D671 PolarHBondContact NZ-OD2 3.4Å; K420-F673 HydrophobicContact CD-CB 3.89Å
421	V	98	Very high	98.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-80.7	-51.5	-179.8	174.2	0	0	0	0	112	Y417 I418 F456 S611 R612 T613 I621	Y417-V421 HydrophobicContact CD1-CG2 4.11Å; Y417-V421 HydrophobicContact CD2-CG2 4.02Å; Y417-V421 HydrophobicContact CE1-CG2 3.65Å; Y417-V421 HydrophobicContact CE2-CG2 3.52Å; Y417-V421 HydrophobicContact CG-CG2 4.27Å; Y417-V421 PolarHBondContact O-N 2.04Å; I418-V421 PolarHBondContact O-N 3.39Å; V421-F456 HydrophobicContact CB-CZ 4.34Å; V421-F456 HydrophobicContact CG1-CE1 3.81Å; V421-F456 HydrophobicContact CG1-CE2 3.88Å; V421-F456 HydrophobicContact CG1-CZ 3.29Å; V421-F456 HydrophobicContact CG2-CZ 4.09Å; V421-S611 WeakPolarHBondContact O-CB 3.24Å; V421-R612 PolarHBondContact O-N 3.49Å; V421-T613 HydrophobicContact CG1-CG2 3.88Å; V421-T613 PolarHBondContact O-N 3.47Å; V421-T613 PolarHBondContact O-OG1 2.76Å; V421-I621 HydrophobicContact CG1-CD1 4.25Å
422	I	98.2	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-97.3	-13.5	-175.2	69.8	175.5	0	0	0	112.8	I418 S426 F427 I431 S611 A618 I621	I418-I422 HydrophobicContact CG2-CD1 3.8Å; I418-I422 HydrophobicContact CG2-CG1 4.01Å; I418-I422 WeakPolarHBondContact O-CG1 3.27Å; I418-I422 PolarHBondContact O-N 2.93Å; I422-S426 VanDerWaalsContact O-CB 3.24Å; I422-S426 WeakPolarHBondContact O-CB 3.43Å; I422-S426 PolarHBondContact O-OG 2.95Å; I422-F427 HydrophobicContact CD1-CB 4.28Å; I422-F427 HydrophobicContact CG1-CB 4.37Å; I422-I431 HydrophobicContact CD1-CD1 3.9Å; I422-S611 VanDerWaalsContact C-CB 3.42Å; I422-S611 WeakPolarHBondContact O-CB 3.15Å; I422-A618 HydrophobicContact CB-CB 4Å; I422-A618 HydrophobicContact CG2-CB 4.41Å; I422-I621 HydrophobicContact CG2-CB 3.94Å; I422-I621 HydrophobicContact CG2-CG2 3.85Å
423	G	97.7	Very high	98	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	22%	0.217	C	C	.	.			trans	88.2	150.6	-175.3	0	0	0	0	0	112.2	P419 E425 S426 F427	P419-G423 CarbonylContact O-C 3.58Å; P419-G423 WeakPolarHBondContact O-CA 3.37Å; P419-G423 PolarHBondContact O-N 2.94Å; G423-E425 PolarHBondContact O-N 2.91Å; G423-S426 PolarHBondContact O-N 2.78Å; G423-F427 WeakPolarHBondContact O-CB 3.41Å; G423-F427 PolarHBondContact O-N 3.31Å
424	A	96.7	Very high	98	Very high	76 Å²	76	44.7 Å²	44.7	63%	0.628	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-38.4	-174.6	0	0	0	0	0	113.3	F427 E428	A424-F427 WeakPolarHBondContact O-CB 3.42Å; A424-F427 PolarHBondContact O-N 3.5Å; A424-E428 PolarHBondContact O-N 3.38Å
425	E	97.3	Very high	97.9	Very high	160 Å²	160	48 Å²	48	75%	0.748	26%	0.262	S	S	*	.	H	α-helix	trans	-65.9	-45	178.3	-172.9	-177.1	169.5	0	0	111.6	G423 F427 E428 R429	G423-E425 PolarHBondContact O-N 2.91Å; E425-F427 VanDerWaalsContact C-N 3.33Å; E425-E428 PolarHBondContact O-N 3.01Å; E425-R429 VanDerWaalsContact O-CB 3.32Å; E425-R429 WeakPolarHBondContact O-CB 3.48Å; E425-R429 PolarHBondContact O-N 3.18Å
426	S	98.1	Very high	97.9	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-33.4	175.3	-67.1	0	0	0	0	112.4	I422 G423 R429 H430 L608	I422-S426 VanDerWaalsContact O-CB 3.24Å; I422-S426 WeakPolarHBondContact O-CB 3.43Å; I422-S426 PolarHBondContact O-OG 2.95Å; G423-S426 PolarHBondContact O-N 2.78Å; S426-R429 PolarHBondContact O-N 3.08Å; S426-H430 VanDerWaalsContact O-CB 3.3Å; S426-H430 WeakPolarHBondContact O-CB 3.44Å; S426-H430 PolarHBondContact O-CD2 3.4Å; S426-H430 VanDerWaalsContact O-CD2 3.29Å; S426-H430 PolarHBondContact O-N 3.12Å; S426-L608 VanDerWaalsContact OG-CD1 3.25Å; S426-L608 WeakPolarHBondContact OG-CD1 3.22Å
427	F	98.5	Very high	97.9	Very high	39 Å²	39	48.1 Å²	48.1	17%	0.171	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-51.1	172.1	-175	-84	0	0	0	110.9	M414 I418 P419 I422 G423 A424 E425 R429 I431 G432	M414-F427 HydrophobicContact CE-CE2 4.43Å; M414-F427 VanDerWaalsContact O-CE2 3.32Å; M414-F427 WeakPolarHBondContact O-CE2 3.48Å; I418-F427 HydrophobicContact CB-CD2 4.47Å; I418-F427 HydrophobicContact CB-CE2 4.45Å; I418-F427 HydrophobicContact CG2-CD2 3.97Å; I418-F427 HydrophobicContact CG2-CE2 4.27Å; P419-F427 HydrophobicContact CB-CD2 4.35Å; P419-F427 HydrophobicContact CG-CD2 3.65Å; P419-F427 HydrophobicContact CG-CE2 3.83Å; P419-F427 HydrophobicContact CG-CG 4.13Å; P419-F427 HydrophobicContact CG-CZ 4.44Å; I422-F427 HydrophobicContact CD1-CB 4.28Å; I422-F427 HydrophobicContact CG1-CB 4.37Å; G423-F427 WeakPolarHBondContact O-CB 3.41Å; G423-F427 PolarHBondContact O-N 3.31Å; A424-F427 WeakPolarHBondContact O-CB 3.42Å; A424-F427 PolarHBondContact O-N 3.5Å; E425-F427 VanDerWaalsContact C-N 3.33Å; F427-R429 VanDerWaalsContact C-N 3.32Å; F427-R429 PolarHBondContact O-N 2.86Å; F427-I431 HydrophobicContact CD2-CB 4.4Å; F427-I431 HydrophobicContact CD2-CD1 3.55Å; F427-I431 HydrophobicContact CE1-CG2 4.32Å; F427-I431 HydrophobicContact CE2-CB 4.32Å; F427-I431 HydrophobicContact CE2-CD1 3.66Å; F427-I431 HydrophobicContact CE2-CG2 4.09Å; F427-I431 HydrophobicContact CG-CD1 4.33Å; F427-I431 HydrophobicContact CZ-CB 4.4Å; F427-I431 HydrophobicContact CZ-CG2 3.91Å; F427-I431 WeakPolarHBondContact O-CA 3.4Å; F427-I431 VanDerWaalsContact O-CB 3.32Å; F427-I431 WeakPolarHBondContact O-CB 3.47Å; F427-I431 PolarHBondContact O-N 2.89Å; F427-G432 PolarHBondContact O-N 3.05Å
428	E	97.8	Very high	97.8	Very high	119 Å²	119	50.9 Å²	50.9	56%	0.556	29%	0.286	S	S	*	.	H	α-helix	trans	-61.4	-42.8	178.1	-172.6	56.2	-146.9	0	0	111.4	A424 E425 G432	A424-E428 PolarHBondContact O-N 3.38Å; E425-E428 PolarHBondContact O-N 3.01Å; E428-G432 WeakPolarHBondContact O-CA 3.45Å; E428-G432 PolarHBondContact O-N 2.96Å
429	R	97.6	Very high	97.7	Very high	185 Å²	185	53.2 Å²	53.2	70%	0.698	30%	0.301	S	S	*	.	H	α-helix	trans	-67.7	-42.5	-178.7	-177.1	177.5	-180	176.5	-2	113.9	E425 S426 F427	E425-R429 VanDerWaalsContact O-CB 3.32Å; E425-R429 WeakPolarHBondContact O-CB 3.48Å; E425-R429 PolarHBondContact O-N 3.18Å; S426-R429 PolarHBondContact O-N 3.08Å; F427-R429 VanDerWaalsContact C-N 3.32Å; F427-R429 PolarHBondContact O-N 2.86Å
430	H	98.1	Very high	97.7	Very high	30 Å²	30	56.6 Å²	56.6	14%	0.139	32%	0.321	C	S	.	.	H	α-helix	trans	-102	-23.5	-169.7	-63.2	-52.1	0	0	0	114	S426 K626	S426-H430 VanDerWaalsContact O-CB 3.3Å; S426-H430 WeakPolarHBondContact O-CB 3.44Å; S426-H430 PolarHBondContact O-CD2 3.4Å; S426-H430 VanDerWaalsContact O-CD2 3.29Å; S426-H430 PolarHBondContact O-N 3.12Å; H430-K626 WeakPolarHBondContact O-CD 3.28Å
431	I	98.5	Very high	97.7	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-55.2	-177.9	-61.9	168.1	0	0	0	109.6	M414 I418 I422 F427 G622 M625 K626 R629	M414-I431 HydrophobicContact CE-CD1 4.09Å; M414-I431 HydrophobicContact CE-CG2 3.51Å; I418-I431 HydrophobicContact CG2-CD1 3.64Å; I422-I431 HydrophobicContact CD1-CD1 3.9Å; F427-I431 HydrophobicContact CD2-CB 4.4Å; F427-I431 HydrophobicContact CD2-CD1 3.55Å; F427-I431 HydrophobicContact CE1-CG2 4.32Å; F427-I431 HydrophobicContact CE2-CB 4.32Å; F427-I431 HydrophobicContact CE2-CD1 3.66Å; F427-I431 HydrophobicContact CE2-CG2 4.09Å; F427-I431 HydrophobicContact CG-CD1 4.33Å; F427-I431 HydrophobicContact CZ-CB 4.4Å; F427-I431 HydrophobicContact CZ-CG2 3.91Å; F427-I431 WeakPolarHBondContact O-CA 3.4Å; F427-I431 VanDerWaalsContact O-CB 3.32Å; F427-I431 WeakPolarHBondContact O-CB 3.47Å; F427-I431 PolarHBondContact O-N 2.89Å; I431-G622 VanDerWaalsContact CG1-O 3.29Å; I431-G622 WeakPolarHBondContact CG1-O 3.48Å; I431-M625 HydrophobicContact CD1-CB 3.95Å; I431-M625 HydrophobicContact CG1-CB 4.45Å; I431-K626 HydrophobicContact CG1-CB 4.35Å; I431-K626 PolarHBondContact O-NZ 3.47Å; I431-K626 VanDerWaalsContact O-NZ 3.17Å; I431-R629 VanDerWaalsContact CG2-NH1 3.32Å; I431-R629 PolarHBondContact O-NH2 2.87Å
432	G	97.4	Very high	97.7	Very high	8 Å²	8	58.8 Å²	58.8	8%	0.082	33%	0.334	C	S	.	.			trans	62.2	-171	-179.6	0	0	0	0	0	113.7	F427 E428 R629	F427-G432 PolarHBondContact O-N 3.05Å; E428-G432 WeakPolarHBondContact O-CA 3.45Å; E428-G432 PolarHBondContact O-N 2.96Å; G432-R629 PolarHBondContact O-NH1 3.01Å
433	P	97	Very high	97.6	Very high	99 Å²	99	58.8 Å²	58.8	64%	0.643	33%	0.334	S	S	*	.	S	Bend	trans	-62.3	154.6	173.4	26.6	-34.4	0	0	0	111.8	R629	P433-R629 PolarHBondContact O-NH2 3.2Å
434	Y	98.2	Very high	97.6	Very high	45 Å²	45	58.9 Å²	58.9	18%	0.176	34%	0.335	C	S	.	.			trans	-75.2	128	175.9	-178.8	-122.6	0	0	0	110.6	G436 Y437 R629 W635 E637 A638	Y434-G436 WeakPolarHBondContact CE2-O 2.94Å; Y434-G436 VanDerWaalsContact CZ-CA 3.44Å; Y434-G436 VanDerWaalsContact OH-C 3.25Å; Y434-Y437 PolarHBondContact OH-N 2.04Å; Y434-R629 HydrophobicContact CD2-CG 3.84Å; Y434-R629 HydrophobicContact CE2-CG 4.06Å; Y434-W635 AromaticContact CD1-CD1 3.99Å; Y434-W635 AromaticContact CE1-CD1 3.62Å; Y434-W635 AromaticContact CE2-CD1 3.75Å; Y434-W635 HydrophobicContact CE2-CG 4.26Å; Y434-W635 AromaticContact CZ-CD1 3.47Å; Y434-W635 VanDerWaalsContact CZ-CD1 3.47Å; Y434-E637 HydrophobicContact CD1-CB 3.67Å; Y434-E637 HydrophobicContact CE1-CB 3.8Å; Y434-A638 WeakPolarHBondContact OH-CB 3.33Å
435	G	96.9	Very high	97.7	Very high	80 Å²	80	55.3 Å²	55.3	83%	0.825	31%	0.305	S	S	*	.			trans	-98.4	0.3	-178.1	0	0	0	0	0	114.8
436	G	97.7	Very high	97.7	Very high	30 Å²	30	47.7 Å²	47.7	31%	0.309	27%	0.269	S	S	.	.			trans	100.2	169	-167.7	0	0	0	0	0	112.6	Y434	Y434-G436 WeakPolarHBondContact CE2-O 2.94Å; Y434-G436 VanDerWaalsContact CZ-CA 3.44Å; Y434-G436 VanDerWaalsContact OH-C 3.25Å
437	Y	98.2	Very high	97.7	Very high	64 Å²	64	47.2 Å²	47.2	25%	0.251	27%	0.266	S	S	.	.			trans	-70.7	129.7	177.7	165.2	-118.1	0	0	0	110.5	Y434 P439 D630 G631 R633	Y434-Y437 PolarHBondContact OH-N 2.04Å; Y437-P439 HydrophobicContact CE1-CB 3.89Å; Y437-P439 HydrophobicContact CE1-CG 4.5Å; Y437-P439 WeakPolarHBondContact OH-CA 3.49Å; Y437-D630 WeakPolarHBondContact CD2-O 3.47Å; Y437-G631 WeakPolarHBondContact CE2-O 3.33Å; Y437-R633 HydrophobicContact CD1-CB 4.22Å; Y437-R633 HydrophobicContact CD1-CG 4.2Å; Y437-R633 HydrophobicContact CD2-CB 4.18Å; Y437-R633 HydrophobicContact CE1-CB 3.93Å; Y437-R633 HydrophobicContact CE1-CG 4Å; Y437-R633 HydrophobicContact CE2-CB 3.9Å; Y437-R633 HydrophobicContact CG-CB 4.33Å
438	D	98	Very high	97.8	Very high	64 Å²	64	45.4 Å²	45.4	34%	0.342	26%	0.258	S	S	.	.			trans	-111.8	108.2	175.4	-174.2	-14.9	0	0	0	110.1	T440 V441 D630	D438-T440 VanDerWaalsContact CG-OG1 3.3Å; D438-T440 PolarHBondContact O-N 3.13Å; D438-T440 VanDerWaalsContact O-N 3.15Å; D438-T440 WeakPolarHBondContact OD1-CB 3.41Å; D438-T440 PolarHBondContact OD1-N 3.21Å; D438-T440 PolarHBondContact OD1-OG1 3.12Å; D438-T440 PolarHBondContact OD2-OG1 3.37Å; D438-V441 HydrophobicContact CB-CB 4.42Å; D438-V441 HydrophobicContact CB-CG2 3.78Å; D438-V441 PolarHBondContact O-N 3.27Å; D438-D630 PolarHBondContact N-O 3.02Å
439	P	96.8	Very high	97.8	Very high	49 Å²	49	39.8 Å²	39.8	32%	0.318	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.9	-179.8	30.4	-35.9	0	0	0	113.8	N130 Y437	N130-P439 PolarHBondContact ND2-O 2.92Å; Y437-P439 HydrophobicContact CE1-CB 3.89Å; Y437-P439 HydrophobicContact CE1-CG 4.5Å; Y437-P439 WeakPolarHBondContact OH-CA 3.49Å
440	T	97.8	Very high	97.8	Very high	103 Å²	103	31 Å²	31	63%	0.632	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.8	175.7	72.5	0	0	0	0	113.1	D438	D438-T440 VanDerWaalsContact CG-OG1 3.3Å; D438-T440 PolarHBondContact O-N 3.13Å; D438-T440 VanDerWaalsContact O-N 3.15Å; D438-T440 WeakPolarHBondContact OD1-CB 3.41Å; D438-T440 PolarHBondContact OD1-N 3.21Å; D438-T440 PolarHBondContact OD1-OG1 3.12Å; D438-T440 PolarHBondContact OD2-OG1 3.37Å
441	V	97.9	Very high	97.8	Very high	24 Å²	24	29.7 Å²	29.7	15%	0.145	19%	0.193	C	C	.	.	S	Bend	trans	-87.2	125.9	-179.9	172.1	0	0	0	0	110.8	D438 S443 L627	D438-V441 HydrophobicContact CB-CB 4.42Å; D438-V441 HydrophobicContact CB-CG2 3.78Å; D438-V441 PolarHBondContact O-N 3.27Å; V441-S443 PolarHBondContact O-N 3.45Å; V441-L627 HydrophobicContact CG1-CB 4.29Å; V441-L627 HydrophobicContact CG1-CD2 3.6Å
442	D	97.2	Very high	97.8	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.219	19%	0.192	C	C	.	.			trans	-80	112.2	168.1	-176.9	1.5	0	0	0	110.2	W136 S444	W136-D442 HydrophobicContact CD2-CB 3.81Å; W136-D442 VanDerWaalsContact CE3-CA 3.45Å; W136-D442 HydrophobicContact CE3-CB 3.8Å; W136-D442 HydrophobicContact CG-CB 4.37Å; W136-D442 HydrophobicContact CH2-CB 4.28Å; W136-D442 HydrophobicContact CZ2-CB 4.3Å; W136-D442 HydrophobicContact CZ3-CB 4.04Å; D442-S444 VanDerWaalsContact C-N 3.28Å; D442-S444 PolarHBondContact O-N 3.04Å; D442-S444 WeakPolarHBondContact OD1-CB 3.26Å; D442-S444 PolarHBondContact OD1-N 3.5Å; D442-S444 PolarHBondContact OD1-OG 3.39Å
443	S	96.3	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.188	C	C	.	.			trans	-87.5	14.2	178.9	59.1	0	0	0	0	113.5	S289 F290 V441 L628	S289-S443 VanDerWaalsContact CB-O 3.27Å; S289-S443 WeakPolarHBondContact CB-O 3.33Å; F290-S443 WeakPolarHBondContact CE1-OG 3.48Å; F290-S443 WeakPolarHBondContact CZ-OG 3.21Å; V441-S443 PolarHBondContact O-N 3.45Å; S443-L628 WeakPolarHBondContact O-CD2 3.36Å
444	S	97.7	Very high	97.9	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.035	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-68.6	142	176.3	-55.3	0	0	0	0	111.7	G137 D442 S446 Q624	G137-S444 PolarHBondContact N-OG 3.12Å; D442-S444 VanDerWaalsContact C-N 3.28Å; D442-S444 PolarHBondContact O-N 3.04Å; D442-S444 WeakPolarHBondContact OD1-CB 3.26Å; D442-S444 PolarHBondContact OD1-N 3.5Å; D442-S444 PolarHBondContact OD1-OG 3.39Å; S444-S446 PolarHBondContact O-N 3.4Å; S444-Q624 PolarHBondContact O-NE2 3.34Å; S444-Q624 VanDerWaalsContact O-NE2 3.12Å
445	A	98.3	Very high	97.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-65.1	129.9	173.3	0	0	0	0	0	110.4	L143 V144 V209 T210 S289	L143-A445 WeakPolarHBondContact CA-O 3.41Å; L143-A445 HydrophobicContact CD2-CB 3.98Å; L143-A445 WeakPolarHBondContact CD2-O 3.22Å; V144-A445 PolarHBondContact N-O 3.47Å; V209-A445 HydrophobicContact CG1-CB 4.05Å; T210-A445 HydrophobicContact CG2-CB 3.9Å; S289-A445 PolarHBondContact OG-N 2.97Å
446	S	98.5	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-79.3	150.2	177.5	67.9	0	0	0	0	111.9	V144 W146 S444 V448 F449 A450 Q624	V144-S446 CarbonylContact O-C 3.48Å; V144-S446 VanDerWaalsContact O-CA 3.28Å; V144-S446 WeakPolarHBondContact O-CA 3.26Å; W146-S446 VanDerWaalsContact CE2-CB 3.43Å; W146-S446 WeakPolarHBondContact CZ2-OG 3.47Å; S444-S446 PolarHBondContact O-N 3.4Å; S446-V448 VanDerWaalsContact C-N 3.3Å; S446-V448 PolarHBondContact O-N 3.45Å; S446-F449 PolarHBondContact O-N 3.44Å; S446-F449 WeakPolarHBondContact OG-CB 3.28Å; S446-F449 PolarHBondContact OG-N 2.84Å; S446-A450 PolarHBondContact O-N 3.35Å; S446-A450 VanDerWaalsContact O-N 3.1Å; S446-Q624 VanDerWaalsContact CB-OE1 3.32Å; S446-Q624 PolarHBondContact OG-OE1 2.98Å
447	N	98.4	Very high	97.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-40.2	-179	-161.5	-46.1	0	0	0	111.9	L143 V144 R145 Q283 F449 A450 T451 H550 L552	L143-N447 HydrophobicContact CB-CB 3.97Å; L143-N447 HydrophobicContact CD1-CB 4.43Å; V144-N447 PolarHBondContact O-N 2.91Å; R145-N447 PolarHBondContact NH2-ND2 2.71Å; Q283-N447 PolarHBondContact OE1-ND2 3.06Å; N447-F449 VanDerWaalsContact C-N 3.33Å; N447-F449 PolarHBondContact O-N 2.91Å; N447-A450 PolarHBondContact O-N 3.15Å; N447-T451 WeakPolarHBondContact O-CB 3.45Å; N447-T451 PolarHBondContact O-N 3.21Å; N447-T451 PolarHBondContact O-OG1 3.39Å; N447-T451 PolarHBondContact OD1-OG1 2.89Å; N447-H550 WeakPolarHBondContact OD1-CB 3.39Å; N447-H550 PolarHBondContact OD1-ND1 3.18Å; N447-L552 HydrophobicContact CB-CD2 4.41Å
448	V	98.8	Very high	97.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-34.6	177.8	70.8	0	0	0	0	112.4	W146 S446 A452 A453 L552 W558 V598 L620	W146-V448 HydrophobicContact CE3-CG1 3.88Å; W146-V448 HydrophobicContact CZ3-CG1 4.13Å; S446-V448 VanDerWaalsContact C-N 3.3Å; S446-V448 PolarHBondContact O-N 3.45Å; V448-A452 HydrophobicContact CG2-CB 4.44Å; V448-A452 WeakPolarHBondContact O-CA 3.27Å; V448-A452 WeakPolarHBondContact O-CB 3.19Å; V448-A452 PolarHBondContact O-N 3Å; V448-A453 PolarHBondContact O-N 3Å; V448-L552 HydrophobicContact CB-CD2 4.4Å; V448-W558 HydrophobicContact CB-CH2 3.54Å; V448-W558 HydrophobicContact CB-CZ2 3.54Å; V448-W558 HydrophobicContact CB-CZ3 4.06Å; V448-W558 HydrophobicContact CG1-CE3 4.34Å; V448-W558 HydrophobicContact CG1-CH2 3.55Å; V448-W558 HydrophobicContact CG1-CZ2 4.1Å; V448-W558 HydrophobicContact CG1-CZ3 3.7Å; V448-W558 HydrophobicContact CG2-CD2 3.83Å; V448-W558 HydrophobicContact CG2-CE3 4.11Å; V448-W558 HydrophobicContact CG2-CG 4.5Å; V448-W558 HydrophobicContact CG2-CH2 3.93Å; V448-W558 HydrophobicContact CG2-CZ2 3.63Å; V448-W558 HydrophobicContact CG2-CZ3 4.17Å; V448-V598 HydrophobicContact CG2-CG2 4.44Å; V448-L620 HydrophobicContact CG1-CD2 4.33Å; V448-L620 HydrophobicContact CG2-CD1 3.9Å
449	F	98.8	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-65.4	-53.6	175.5	175.8	-95.4	0	0	0	111	V209 T210 S446 N447 T451 A453 F454 I621 Q624 M625	V209-F449 HydrophobicContact CG1-CE1 3.88Å; T210-F449 HydrophobicContact CG2-CD1 3.98Å; T210-F449 HydrophobicContact CG2-CE1 4Å; S446-F449 PolarHBondContact O-N 3.44Å; S446-F449 WeakPolarHBondContact OG-CB 3.28Å; S446-F449 PolarHBondContact OG-N 2.84Å; N447-F449 VanDerWaalsContact C-N 3.33Å; N447-F449 PolarHBondContact O-N 2.91Å; F449-T451 VanDerWaalsContact C-N 3.33Å; F449-T451 PolarHBondContact O-N 2.88Å; F449-A453 PolarHBondContact O-N 3.09Å; F449-F454 HydrophobicContact CD1-CB 4.4Å; F449-F454 HydrophobicContact CD2-CB 4.1Å; F449-F454 HydrophobicContact CD2-CD2 4.45Å; F449-F454 HydrophobicContact CE1-CB 4.02Å; F449-F454 HydrophobicContact CE1-CD1 4.36Å; F449-F454 HydrophobicContact CE1-CG 4.1Å; F449-F454 HydrophobicContact CE2-CB 3.7Å; F449-F454 AromaticContact CE2-CD2 3.42Å; F449-F454 HydrophobicContact CE2-CD2 3.42Å; F449-F454 VanDerWaalsContact CE2-CD2 3.42Å; F449-F454 HydrophobicContact CE2-CE2 4.16Å; F449-F454 AromaticContact CE2-CG 3.64Å; F449-F454 HydrophobicContact CE2-CG 3.64Å; F449-F454 HydrophobicContact CG-CB 4.43Å; F449-F454 HydrophobicContact CZ-CB 3.65Å; F449-F454 AromaticContact CZ-CD1 3.84Å; F449-F454 HydrophobicContact CZ-CD1 3.84Å; F449-F454 AromaticContact CZ-CD2 3.52Å; F449-F454 HydrophobicContact CZ-CD2 3.52Å; F449-F454 HydrophobicContact CZ-CE1 4.36Å; F449-F454 HydrophobicContact CZ-CE2 4.09Å; F449-F454 AromaticContact CZ-CG 3.38Å; F449-F454 HydrophobicContact CZ-CG 3.38Å; F449-F454 HydrophobicContact CZ-CZ 4.47Å; F449-F454 PolarHBondContact O-N 3.46Å; F449-I621 HydrophobicContact CE2-CG1 4.49Å; F449-I621 HydrophobicContact CE2-CG2 4.47Å; F449-Q624 HydrophobicContact CB-CB 4.26Å; F449-Q624 HydrophobicContact CB-CG 4.07Å; F449-Q624 HydrophobicContact CD1-CG 3.84Å; F449-Q624 HydrophobicContact CD2-CB 3.48Å; F449-Q624 VanDerWaalsContact CD2-CB 3.48Å; F449-Q624 HydrophobicContact CD2-CG 3.57Å; F449-Q624 HydrophobicContact CE1-CG 4.15Å; F449-Q624 HydrophobicContact CE2-CB 3.92Å; F449-Q624 HydrophobicContact CE2-CG 3.88Å; F449-Q624 HydrophobicContact CG-CB 3.89Å; F449-Q624 HydrophobicContact CG-CG 3.54Å; F449-Q624 HydrophobicContact CZ-CG 4.17Å; F449-M625 HydrophobicContact CE2-CE 3.85Å; F449-M625 HydrophobicContact CZ-CE 3.62Å
450	A	98	Very high	97.3	Very high	2 Å²	2	16 Å²	16	2%	0.017	9%	0.09	C	C	.	.	I	π-helix	trans	-65.5	-32.5	-177.4	0	0	0	0	0	113.8	L143 T210 S446 N447 R455	L143-A450 HydrophobicContact CD1-CB 4.14Å; L143-A450 HydrophobicContact CD2-CB 3.94Å; T210-A450 HydrophobicContact CG2-CB 3.65Å; S446-A450 PolarHBondContact O-N 3.35Å; S446-A450 VanDerWaalsContact O-N 3.1Å; N447-A450 PolarHBondContact O-N 3.15Å; A450-R455 PolarHBondContact O-NE 3.17Å; A450-R455 PolarHBondContact O-NH2 3.43Å
451	T	98.1	Very high	97.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.068	C	C	.	.	I	π-helix	trans	-103.1	-22.2	-168.7	-49.3	0	0	0	0	113.1	N447 F449 R455 R546 H550 L552	N447-T451 WeakPolarHBondContact O-CB 3.45Å; N447-T451 PolarHBondContact O-N 3.21Å; N447-T451 PolarHBondContact O-OG1 3.39Å; N447-T451 PolarHBondContact OD1-OG1 2.89Å; F449-T451 VanDerWaalsContact C-N 3.33Å; F449-T451 PolarHBondContact O-N 2.88Å; T451-R455 VanDerWaalsContact O-CD 3.31Å; T451-R455 WeakPolarHBondContact O-CD 3.36Å; T451-R455 PolarHBondContact O-NE 3.38Å; T451-R546 HydrophobicContact CG2-CB 4.46Å; T451-R546 HydrophobicContact CG2-CG 3.87Å; T451-H550 HydrophobicContact CG2-CB 4.14Å; T451-H550 PolarHBondContact OG1-CE1 3.39Å; T451-H550 VanDerWaalsContact OG1-CE1 3.27Å; T451-H550 PolarHBondContact OG1-ND1 2.92Å; T451-L552 HydrophobicContact CG2-CD1 3.94Å
452	A	98.5	Very high	97	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.008	7%	0.068	C	C	.	.	I	π-helix	trans	-133.8	-65	-176.9	0	0	0	0	0	113	V448 F454 R455 L552 V598 W599	V448-A452 HydrophobicContact CG2-CB 4.44Å; V448-A452 WeakPolarHBondContact O-CA 3.27Å; V448-A452 WeakPolarHBondContact O-CB 3.19Å; V448-A452 PolarHBondContact O-N 3Å; A452-F454 PolarHBondContact O-N 2.83Å; A452-R455 WeakPolarHBondContact O-CB 3.34Å; A452-R455 PolarHBondContact O-N 2.76Å; A452-L552 HydrophobicContact CB-CD1 4.04Å; A452-V598 HydrophobicContact CB-CG1 3.73Å; A452-W599 HydrophobicContact CB-CB 4.06Å
453	A	98.5	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-63.5	-45.8	-163.4	0	0	0	0	0	113.1	V448 F449 R455 F456 F617 L620 I621	V448-A453 PolarHBondContact O-N 3Å; F449-A453 PolarHBondContact O-N 3.09Å; A453-R455 VanDerWaalsContact C-N 3.29Å; A453-R455 PolarHBondContact O-N 3.45Å; A453-F456 VanDerWaalsContact O-CD1 3.31Å; A453-F456 WeakPolarHBondContact O-CD1 3.13Å; A453-F456 PolarHBondContact O-N 2.92Å; A453-F617 HydrophobicContact CB-CD1 3.92Å; A453-F617 HydrophobicContact CB-CE1 4.17Å; A453-L620 HydrophobicContact CB-CB 3.81Å; A453-L620 HydrophobicContact CB-CD1 4.12Å; A453-I621 HydrophobicContact CB-CG1 4.12Å
454	F	98.1	Very high	96.6	Very high	9 Å²	9	15.3 Å²	15.3	4%	0.039	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-80.5	-12.2	-178.1	-144.8	-118.7	0	0	0	113.4	G202 I205 D206 Y417 I418 F449 A452 F456 I621 M625	G202-F454 WeakPolarHBondContact O-CE1 3.21Å; I205-F454 HydrophobicContact CG2-CE1 3.72Å; I205-F454 HydrophobicContact CG2-CZ 3.64Å; D206-F454 HydrophobicContact CB-CD1 3.62Å; D206-F454 HydrophobicContact CB-CE1 3.77Å; D206-F454 WeakPolarHBondContact OD2-CD1 3.11Å; Y417-F454 HydrophobicContact CE1-CE2 4.27Å; Y417-F454 AromaticContact CE1-CZ 3.9Å; Y417-F454 HydrophobicContact CE1-CZ 3.9Å; I418-F454 HydrophobicContact CD1-CE2 4.45Å; F449-F454 HydrophobicContact CD1-CB 4.4Å; F449-F454 HydrophobicContact CD2-CB 4.1Å; F449-F454 HydrophobicContact CD2-CD2 4.45Å; F449-F454 HydrophobicContact CE1-CB 4.02Å; F449-F454 HydrophobicContact CE1-CD1 4.36Å; F449-F454 HydrophobicContact CE1-CG 4.1Å; F449-F454 HydrophobicContact CE2-CB 3.7Å; F449-F454 AromaticContact CE2-CD2 3.42Å; F449-F454 HydrophobicContact CE2-CD2 3.42Å; F449-F454 VanDerWaalsContact CE2-CD2 3.42Å; F449-F454 HydrophobicContact CE2-CE2 4.16Å; F449-F454 AromaticContact CE2-CG 3.64Å; F449-F454 HydrophobicContact CE2-CG 3.64Å; F449-F454 HydrophobicContact CG-CB 4.43Å; F449-F454 HydrophobicContact CZ-CB 3.65Å; F449-F454 AromaticContact CZ-CD1 3.84Å; F449-F454 HydrophobicContact CZ-CD1 3.84Å; F449-F454 AromaticContact CZ-CD2 3.52Å; F449-F454 HydrophobicContact CZ-CD2 3.52Å; F449-F454 HydrophobicContact CZ-CE1 4.36Å; F449-F454 HydrophobicContact CZ-CE2 4.09Å; F449-F454 AromaticContact CZ-CG 3.38Å; F449-F454 HydrophobicContact CZ-CG 3.38Å; F449-F454 HydrophobicContact CZ-CZ 4.47Å; F449-F454 PolarHBondContact O-N 3.46Å; A452-F454 PolarHBondContact O-N 2.83Å; F454-F456 HydrophobicContact CD2-CE1 4.08Å; F454-F456 HydrophobicContact CE2-CE1 4.24Å; F454-F456 WeakPolarHBondContact O-CD1 3.02Å; F454-F456 PolarHBondContact O-N 2.96Å; F454-I621 HydrophobicContact CD2-CD1 4.17Å; F454-I621 HydrophobicContact CD2-CG1 4.13Å; F454-I621 HydrophobicContact CD2-CG2 4.18Å; F454-I621 HydrophobicContact CE2-CG2 4.15Å; F454-M625 HydrophobicContact CD2-CE 4.25Å; F454-M625 HydrophobicContact CE2-CE 3.59Å; F454-M625 HydrophobicContact CZ-CE 3.82Å
455	R	97.3	Very high	96.6	Very high	52 Å²	52	15.8 Å²	15.8	20%	0.196	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-75.3	6.7	169.4	-57.7	-168.8	-173.5	-162.5	0.7	113.7	A450 T451 A452 A453 G457 H458 N543 W599	A450-R455 PolarHBondContact O-NE 3.17Å; A450-R455 PolarHBondContact O-NH2 3.43Å; T451-R455 VanDerWaalsContact O-CD 3.31Å; T451-R455 WeakPolarHBondContact O-CD 3.36Å; T451-R455 PolarHBondContact O-NE 3.38Å; A452-R455 WeakPolarHBondContact O-CB 3.34Å; A452-R455 PolarHBondContact O-N 2.76Å; A453-R455 VanDerWaalsContact C-N 3.29Å; A453-R455 PolarHBondContact O-N 3.45Å; R455-G457 PolarHBondContact O-N 2.82Å; R455-H458 PolarHBondContact O-N 3.1Å; R455-H458 VanDerWaalsContact O-N 3.15Å; R455-N543 WeakPolarHBondContact CD-OD1 3.28Å; R455-N543 PolarHBondContact NH1-OD1 3.35Å; R455-W599 PolarHBondContact O-NE1 2.86Å
456	F	96.3	Very high	96.5	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.057	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-56.7	-29.7	168.7	83.3	-81.1	0	0	0	111.4	V421 A453 F454 H458 A459 L603 T613 F617 I621	V421-F456 HydrophobicContact CB-CZ 4.34Å; V421-F456 HydrophobicContact CG1-CE1 3.81Å; V421-F456 HydrophobicContact CG1-CE2 3.88Å; V421-F456 HydrophobicContact CG1-CZ 3.29Å; V421-F456 HydrophobicContact CG2-CZ 4.09Å; A453-F456 VanDerWaalsContact O-CD1 3.31Å; A453-F456 WeakPolarHBondContact O-CD1 3.13Å; A453-F456 PolarHBondContact O-N 2.92Å; F454-F456 HydrophobicContact CD2-CE1 4.08Å; F454-F456 HydrophobicContact CE2-CE1 4.24Å; F454-F456 WeakPolarHBondContact O-CD1 3.02Å; F454-F456 PolarHBondContact O-N 2.96Å; F456-H458 PolarHBondContact O-N 3.2Å; F456-H458 VanDerWaalsContact O-N 3.14Å; F456-A459 WeakPolarHBondContact O-CB 3.35Å; F456-A459 PolarHBondContact O-N 3.38Å; F456-L603 HydrophobicContact CB-CD2 4.05Å; F456-T613 HydrophobicContact CB-CG2 4.49Å; F456-T613 HydrophobicContact CD1-CG2 4.29Å; F456-T613 HydrophobicContact CD2-CG2 3.67Å; F456-T613 HydrophobicContact CE2-CG2 3.95Å; F456-T613 HydrophobicContact CG-CG2 3.87Å; F456-T613 HydrophobicContact CZ-CG2 4.38Å; F456-F617 HydrophobicContact CB-CD2 3.74Å; F456-F617 HydrophobicContact CB-CE2 3.87Å; F456-I621 HydrophobicContact CD1-CD1 3.73Å; F456-I621 HydrophobicContact CE1-CD1 3.8Å
457	G	94.6	Very high	96.4	Very high	19 Å²	19	17.8 Å²	17.8	20%	0.196	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-59.4	-20.7	176.5	0	0	0	0	0	114.4	R455 A459 T460	R455-G457 PolarHBondContact O-N 2.82Å; G457-A459 PolarHBondContact O-N 3.09Å; G457-T460 PolarHBondContact O-N 3.18Å; G457-T460 PolarHBondContact O-OG1 3.41Å
458	H	96	Very high	96.4	Very high	39 Å²	39	18.5 Å²	18.5	18%	0.181	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-62.4	-29.1	171.8	-63.4	156.6	0	0	0	112.2	R455 F456 T460 I461 L520 L539 N543	R455-H458 PolarHBondContact O-N 3.1Å; R455-H458 VanDerWaalsContact O-N 3.15Å; F456-H458 PolarHBondContact O-N 3.2Å; F456-H458 VanDerWaalsContact O-N 3.14Å; H458-T460 PolarHBondContact O-N 2.7Å; H458-I461 HydrophobicContact CB-CD1 4.32Å; H458-I461 WeakPolarHBondContact O-CG1 3.35Å; H458-I461 PolarHBondContact O-N 3.15Å; H458-L520 HydrophobicContact CB-CD2 4.16Å; H458-L539 HydrophobicContact CB-CD2 4.14Å; H458-N543 PolarHBondContact ND1-ND2 3Å
459	A	94.9	Very high	96.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-77.8	-2.1	174.8	0	0	0	0	0	113.2	K188 F456 G457 A514 L519 L520 L603	K188-A459 PolarHBondContact NZ-O 3.18Å; F456-A459 WeakPolarHBondContact O-CB 3.35Å; F456-A459 PolarHBondContact O-N 3.38Å; G457-A459 PolarHBondContact O-N 3.09Å; A459-A514 HydrophobicContact CB-CB 3.51Å; A459-L519 WeakPolarHBondContact CA-O 3.36Å; A459-L520 HydrophobicContact CB-CD1 3.96Å; A459-L603 HydrophobicContact CB-CD2 3.78Å
460	T	94.2	Very high	96.1	Very high	21 Å²	21	24.8 Å²	24.8	13%	0.129	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-106.3	3.1	173.4	67.2	0	0	0	0	113.1	A199 G457 H458 P462	A199-T460 VanDerWaalsContact CB-OG1 3.26Å; A199-T460 WeakPolarHBondContact CB-OG1 2.98Å; G457-T460 PolarHBondContact O-N 3.18Å; G457-T460 PolarHBondContact O-OG1 3.41Å; H458-T460 PolarHBondContact O-N 2.7Å; T460-P462 WeakPolarHBondContact O-CD 3.46Å
461	I	94.3	Very high	95.9	Very high	33 Å²	33	27.7 Å²	27.7	17%	0.169	15%	0.153	C	C	.	.			trans	-66.6	124.2	174.9	-63.2	172.3	0	0	0	109.9	K188 H458 L483 V524 L539	K188-I461 PolarHBondContact NZ-O 2.9Å; H458-I461 HydrophobicContact CB-CD1 4.32Å; H458-I461 WeakPolarHBondContact O-CG1 3.35Å; H458-I461 PolarHBondContact O-N 3.15Å; I461-L483 HydrophobicContact CG2-CD2 3.44Å; I461-L483 VanDerWaalsContact CG2-CD2 3.44Å; I461-V524 HydrophobicContact CD1-CG1 4.36Å; I461-V524 HydrophobicContact CG2-CG1 4.17Å; I461-L539 HydrophobicContact CD1-CD2 4.02Å
462	P	94.1	Very high	95.8	Very high	22 Å²	22	28.8 Å²	28.8	14%	0.143	16%	0.158	C	C	.	.			trans	-83.8	155.2	174.8	34.8	-35.9	0	0	0	111.8	T460 I464 A512	T460-P462 WeakPolarHBondContact O-CD 3.46Å; P462-I464 VanDerWaalsContact C-N 3.26Å; P462-I464 PolarHBondContact O-N 3.42Å; P462-A512 HydrophobicContact CB-CB 4.23Å
463	P	92.6	Very high	95.7	Very high	30 Å²	30	35 Å²	35	20%	0.195	19%	0.187	C	C	.	.	S	Bend	trans	-73.3	-22.3	175	31.1	-33.5	0	0	0	112.4	L483 V521 E523	P463-L483 PolarHBondContact O-N 3.38Å; P463-V521 HydrophobicContact CB-CB 4.38Å; P463-V521 HydrophobicContact CB-CG1 4.28Å; P463-V521 HydrophobicContact CB-CG2 4.44Å; P463-V521 HydrophobicContact CG-CG1 4.41Å; P463-E523 HydrophobicContact CB-CG 4.23Å; P463-E523 WeakPolarHBondContact CB-OE1 3.44Å; P463-E523 VanDerWaalsContact CB-OE2 3.27Å; P463-E523 WeakPolarHBondContact CB-OE2 3.31Å
464	I	93.9	Very high	95.4	Very high	68 Å²	68	39.9 Å²	39.9	35%	0.349	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.9	-174.4	-62.9	173.2	0	0	0	109	P462 R480 L481	P462-I464 VanDerWaalsContact C-N 3.26Å; P462-I464 PolarHBondContact O-N 3.42Å; I464-R480 HydrophobicContact CG2-CB 3.78Å; I464-R480 HydrophobicContact CG2-CG 3.98Å; I464-L481 CarbonylContact C-O 3.59Å; I464-L481 VanDerWaalsContact CA-O 3.3Å; I464-L481 WeakPolarHBondContact CA-O 3.49Å
465	L	96	Very high	95	Very high	16 Å²	16	39.6 Å²	39.6	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.4	168.4	-177	152.5	0	0	0	109.3	L365 P366 R467 R480 L481 A486 T502	L365-L465 HydrophobicContact CB-CD1 4.01Å; L365-L465 HydrophobicContact CD1-CD1 4.36Å; L365-L465 HydrophobicContact CD1-CD2 4.39Å; L365-L465 HydrophobicContact CG-CD1 4.48Å; P366-L465 HydrophobicContact CG-CD1 3.78Å; L465-R467 HydrophobicContact CD2-CG 3.59Å; L465-R480 CarbonylContact O-C 3.56Å; L465-R480 WeakPolarHBondContact O-CA 3.27Å; L465-R480 WeakPolarHBondContact O-CB 3.15Å; L465-L481 HydrophobicContact CB-CB 4.5Å; L465-L481 PolarHBondContact N-O 2.9Å; L465-L481 PolarHBondContact O-N 3.2Å; L465-A486 HydrophobicContact CD1-CB 3.96Å; L465-T502 HydrophobicContact CD1-CG2 4.44Å; L465-T502 HydrophobicContact CD2-CG2 4.29Å
466	S	96.6	Very high	94.7	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	24%	0.242	C	C	.	.			trans	-78.9	138.1	177.7	-64.5	0	0	0	0	111.5
467	R	97.3	Very high	94.6	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.026	26%	0.263	C	S	.	.			trans	-129.5	126.6	172.4	-66.3	-170.4	-63.7	176.9	-4.9	109.1	L465 D475 F478 P479 E496 P501	L465-R467 HydrophobicContact CD2-CG 3.59Å; R467-D475 PolarHBondContact O-N 2.83Å; R467-F478 WeakPolarHBondContact CB-O 3Å; R467-F478 PolarHBondContact NE-O 2.77Å; R467-P479 PolarHBondContact NE-O 3.18Å; R467-P479 PolarHBondContact NH2-O 3.07Å; R467-E496 IonicContact CZ-OE2 2.94Å; R467-E496 IonicContact NH1-OE2 3.91Å; R467-E496 PolarHBondContact NH1-OE2 3.43Å; R467-E496 IonicContact NH2-OE2 3.3Å; R467-P501 WeakPolarHBondContact CA-O 3.47Å; R467-P501 HydrophobicContact CB-CB 4.07Å
468	L	97.4	Very high	94.6	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.089	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-121.8	145.7	-170.2	-53.6	179.3	0	0	0	112.3	F472 Q473 P501 R504 A508 T509	L468-F472 HydrophobicContact CD1-CD1 4.38Å; L468-Q473 CarbonylContact C-O 3.56Å; L468-Q473 VanDerWaalsContact CA-O 3.24Å; L468-Q473 WeakPolarHBondContact CA-O 3.37Å; L468-P501 PolarHBondContact N-O 3.1Å; L468-P501 WeakPolarHBondContact O-CA 3.35Å; L468-R504 HydrophobicContact CB-CB 3.85Å; L468-R504 PolarHBondContact O-NH1 2.9Å; L468-A508 HydrophobicContact CD1-CB 3.83Å; L468-T509 HydrophobicContact CD1-CG2 4.01Å
469	N	96	Very high	94.5	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.144	27%	0.268	C	S	.	.			trans	-77.6	-177.5	176.7	69.2	20.6	0	0	0	111.6	S471 F472 Q473 D475 R504	N469-S471 PolarHBondContact O-N 2.83Å; N469-S471 VanDerWaalsContact O-N 3.12Å; N469-S471 WeakPolarHBondContact OD1-CA 3.34Å; N469-S471 PolarHBondContact OD1-N 2.71Å; N469-F472 PolarHBondContact O-N 3.02Å; N469-F472 PolarHBondContact OD1-N 3.05Å; N469-Q473 PolarHBondContact N-O 3.02Å; N469-Q473 PolarHBondContact OD1-N 2.8Å; N469-Q473 PolarHBondContact OD1-O 2.77Å; N469-D475 HydrophobicContact CB-CB 4.03Å; N469-R504 WeakPolarHBondContact O-CD 3.4Å
470	E	94.7	Very high	94.5	Very high	107 Å²	107	62 Å²	62	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.9	-177.5	-59	81.4	176.3	0	0	113.8	R477	E470-R477 IonicContact OE1-CZ 2.72Å; E470-R477 IonicContact OE1-NH1 3.98Å; E470-R477 IonicContact OE1-NH2 3.29Å; E470-R477 PolarHBondContact OE1-NH2 3.1Å; E470-R477 IonicContact OE2-NH2 3.87Å; E470-R477 PolarHBondContact OE2-NH2 3.28Å; E470-R477 VanDerWaalsContact OE2-NH2 3.15Å
471	S	94.8	Very high	94.6	Very high	64 Å²	64	61.3 Å²	61.3	45%	0.448	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	18.3	175.1	-54.7	0	0	0	0	113	N469 Q473 Y678	N469-S471 PolarHBondContact O-N 2.83Å; N469-S471 VanDerWaalsContact O-N 3.12Å; N469-S471 WeakPolarHBondContact OD1-CA 3.34Å; N469-S471 PolarHBondContact OD1-N 2.71Å; S471-Q473 PolarHBondContact O-N 2.94Å; S471-Q473 VanDerWaalsContact O-N 3.16Å; S471-Y678 WeakPolarHBondContact O-CD1 3.45Å
472	F	96.2	Very high	94.5	Very high	24 Å²	24	67.5 Å²	67.5	11%	0.105	31%	0.31	C	S	.	.	S	Bend	trans	56.2	29	-178.7	-66.5	-89.3	0	0	0	114.3	L468 N469 R504 V507 A508 I665 E667 Y678 F682	L468-F472 HydrophobicContact CD1-CD1 4.38Å; N469-F472 PolarHBondContact O-N 3.02Å; N469-F472 PolarHBondContact OD1-N 3.05Å; F472-R504 HydrophobicContact CD1-CB 3.99Å; F472-R504 HydrophobicContact CD1-CG 4.22Å; F472-R504 HydrophobicContact CE1-CB 3.83Å; F472-R504 HydrophobicContact CE1-CG 3.72Å; F472-R504 HydrophobicContact CZ-CG 4.13Å; F472-V507 HydrophobicContact CE1-CG2 3.8Å; F472-A508 HydrophobicContact CD1-CB 3.45Å; F472-A508 VanDerWaalsContact CD1-CB 3.45Å; F472-A508 HydrophobicContact CE1-CB 4.02Å; F472-A508 HydrophobicContact CG-CB 4.37Å; F472-I665 HydrophobicContact CZ-CG2 4.25Å; F472-E667 WeakPolarHBondContact CZ-O 3.47Å; F472-Y678 HydrophobicContact CB-CD1 4.11Å; F472-Y678 HydrophobicContact CB-CD2 4.39Å; F472-Y678 HydrophobicContact CB-CG 3.83Å; F472-Y678 HydrophobicContact CD2-CD1 4.2Å; F472-Y678 AromaticContact CD2-CD2 3.36Å; F472-Y678 HydrophobicContact CD2-CD2 3.36Å; F472-Y678 HydrophobicContact CD2-CE1 4.41Å; F472-Y678 AromaticContact CD2-CE2 3.63Å; F472-Y678 HydrophobicContact CD2-CE2 3.63Å; F472-Y678 AromaticContact CD2-CG 3.68Å; F472-Y678 HydrophobicContact CD2-CG 3.68Å; F472-Y678 AromaticContact CE2-CD2 3.84Å; F472-Y678 HydrophobicContact CE2-CD2 3.84Å; F472-Y678 AromaticContact CE2-CE2 3.92Å; F472-Y678 HydrophobicContact CE2-CE2 3.92Å; F472-Y678 HydrophobicContact CG-CD2 4.05Å; F472-Y678 HydrophobicContact CG-CG 4.01Å; F472-F682 HydrophobicContact CD1-CE1 4.02Å; F472-F682 HydrophobicContact CD1-CZ 4.26Å; F472-F682 HydrophobicContact CD2-CE1 4.25Å; F472-F682 AromaticContact CE1-CE1 3.56Å; F472-F682 HydrophobicContact CE1-CE1 3.56Å; F472-F682 HydrophobicContact CE1-CZ 4.17Å; F472-F682 HydrophobicContact CE2-CD1 4.07Å; F472-F682 AromaticContact CE2-CE1 3.82Å; F472-F682 HydrophobicContact CE2-CE1 3.82Å; F472-F682 HydrophobicContact CG-CE1 4.33Å; F472-F682 HydrophobicContact CZ-CD1 4.01Å; F472-F682 AromaticContact CZ-CE1 3.45Å; F472-F682 HydrophobicContact CZ-CE1 3.45Å; F472-F682 VanDerWaalsContact CZ-CE1 3.45Å; F472-F682 HydrophobicContact CZ-CZ 4.44Å
473	Q	95.5	Very high	94.4	Very high	132 Å²	132	67.5 Å²	67.5	62%	0.617	31%	0.309	S	S	*	.	S	Bend	trans	-105.3	163.6	172.7	-64.9	178.5	-15.2	0	0	110.5	L468 N469 S471 D475	L468-Q473 CarbonylContact C-O 3.56Å; L468-Q473 VanDerWaalsContact CA-O 3.24Å; L468-Q473 WeakPolarHBondContact CA-O 3.37Å; N469-Q473 PolarHBondContact N-O 3.02Å; N469-Q473 PolarHBondContact OD1-N 2.8Å; N469-Q473 PolarHBondContact OD1-O 2.77Å; S471-Q473 PolarHBondContact O-N 2.94Å; S471-Q473 VanDerWaalsContact O-N 3.16Å; Q473-D475 PolarHBondContact O-N 2.94Å; Q473-D475 VanDerWaalsContact O-N 3.14Å
474	E	93.3	Very high	94.2	Very high	102 Å²	102	68.7 Å²	68.7	48%	0.477	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-52.9	121.6	176.7	-172.5	169.1	-165.7	0	0	110.8	R476 R480	E474-R476 PolarHBondContact O-N 3.36Å; E474-R480 VanDerWaalsContact OE1-CD 3.29Å; E474-R480 WeakPolarHBondContact OE1-CD 3.24Å; E474-R480 WeakPolarHBondContact OE1-CG 3.47Å; E474-R480 IonicContact OE1-NE 2.76Å; E474-R480 PolarHBondContact OE1-NE 3.4Å
475	D	90.3	Very high	94	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.011	31%	0.314	C	S	.	.			trans	-75.3	116.2	-176.6	-166.2	-42.3	0	0	0	110.1	R467 N469 Q473 R477 F478 P479	R467-D475 PolarHBondContact O-N 2.83Å; N469-D475 HydrophobicContact CB-CB 4.03Å; Q473-D475 PolarHBondContact O-N 2.94Å; Q473-D475 VanDerWaalsContact O-N 3.14Å; D475-R477 VanDerWaalsContact C-N 3.27Å; D475-R477 PolarHBondContact O-N 3.49Å; D475-R477 WeakPolarHBondContact OD1-CA 3.18Å; D475-R477 VanDerWaalsContact OD1-CB 3.24Å; D475-R477 WeakPolarHBondContact OD1-CB 3.36Å; D475-R477 PolarHBondContact OD1-N 3.27Å; D475-R477 IonicContact OD1-NE 3.15Å; D475-R477 PolarHBondContact OD1-NE 3.41Å; D475-R477 IonicContact OD2-NE 2.7Å; D475-R477 IonicContact OD2-NH2 3.57Å; D475-R477 PolarHBondContact OD2-NH2 2.66Å; D475-F478 HydrophobicContact CB-CB 4.25Å; D475-F478 CarbonylContact O-C 3.37Å; D475-F478 PolarHBondContact O-N 3.18Å; D475-F478 PolarHBondContact OD1-N 3.08Å; D475-P479 VanDerWaalsContact O-CA 3.25Å; D475-P479 WeakPolarHBondContact O-CA 3.46Å; D475-P479 VanDerWaalsContact O-N 3.16Å
476	R	90.9	Very high	93.8	Very high	243 Å²	243	68.9 Å²	68.9	92%	0.917	31%	0.311	S	S	*	.	S	Bend	trans	-67.1	-26.6	178.8	-65.4	-175.3	-179.9	-177.8	0.6	113.3	E474	E474-R476 PolarHBondContact O-N 3.36Å
477	R	93.4	Very high	93.5	Very high	128 Å²	128	68.1 Å²	68.1	48%	0.483	30%	0.304	S	S	.	.	S	Bend	trans	-82.3	-38.5	177.5	-54.8	169.2	-66.5	-171.3	0.5	110.2	E470 D475 P479	E470-R477 IonicContact OE1-CZ 2.72Å; E470-R477 IonicContact OE1-NH1 3.98Å; E470-R477 IonicContact OE1-NH2 3.29Å; E470-R477 PolarHBondContact OE1-NH2 3.1Å; E470-R477 IonicContact OE2-NH2 3.87Å; E470-R477 PolarHBondContact OE2-NH2 3.28Å; E470-R477 VanDerWaalsContact OE2-NH2 3.15Å; D475-R477 VanDerWaalsContact C-N 3.27Å; D475-R477 PolarHBondContact O-N 3.49Å; D475-R477 WeakPolarHBondContact OD1-CA 3.18Å; D475-R477 VanDerWaalsContact OD1-CB 3.24Å; D475-R477 WeakPolarHBondContact OD1-CB 3.36Å; D475-R477 PolarHBondContact OD1-N 3.27Å; D475-R477 IonicContact OD1-NE 3.15Å; D475-R477 PolarHBondContact OD1-NE 3.41Å; D475-R477 IonicContact OD2-NE 2.7Å; D475-R477 IonicContact OD2-NH2 3.57Å; D475-R477 PolarHBondContact OD2-NH2 2.66Å; R477-P479 WeakPolarHBondContact O-CD 3.47Å
478	F	94.1	Very high	93.1	Very high	20 Å²	20	68.9 Å²	68.9	9%	0.088	31%	0.307	C	S	.	.	S	Bend	trans	-125.3	72.3	-175.4	-49.8	-50.6	0	0	0	110.3	R467 D475 E496 G497 P501	R467-F478 WeakPolarHBondContact CB-O 3Å; R467-F478 PolarHBondContact NE-O 2.77Å; D475-F478 HydrophobicContact CB-CB 4.25Å; D475-F478 CarbonylContact O-C 3.37Å; D475-F478 PolarHBondContact O-N 3.18Å; D475-F478 PolarHBondContact OD1-N 3.08Å; F478-E496 HydrophobicContact CD1-CB 3.63Å; F478-E496 HydrophobicContact CD1-CG 4.43Å; F478-E496 WeakPolarHBondContact CD1-O 3.4Å; F478-E496 VanDerWaalsContact CE1-C 3.4Å; F478-E496 VanDerWaalsContact CE1-CA 3.42Å; F478-E496 HydrophobicContact CE1-CB 3.88Å; F478-E496 HydrophobicContact CG-CB 4.42Å; F478-E496 WeakPolarHBondContact CG-O 3.19Å; F478-G497 VanDerWaalsContact CE2-CA 3.44Å; F478-P501 HydrophobicContact CB-CB 4.44Å; F478-P501 HydrophobicContact CD2-CB 4.45Å; F478-P501 HydrophobicContact CD2-CG 3.8Å; F478-P501 HydrophobicContact CE2-CG 4.44Å
479	P	94.2	Very high	92.9	Very high	62 Å²	62	68.3 Å²	68.3	40%	0.403	31%	0.305	S	S	.	.			trans	-66.1	163.7	-171	27.9	-36.9	0	0	0	112.8	R467 D475 R477	R467-P479 PolarHBondContact NE-O 3.18Å; R467-P479 PolarHBondContact NH2-O 3.07Å; D475-P479 VanDerWaalsContact O-CA 3.25Å; D475-P479 WeakPolarHBondContact O-CA 3.46Å; D475-P479 VanDerWaalsContact O-N 3.16Å; R477-P479 WeakPolarHBondContact O-CD 3.47Å
480	R	95.6	Very high	92.8	Very high	142 Å²	142	67.1 Å²	67.1	54%	0.536	30%	0.298	S	S	.	.			trans	-53.4	148.4	172	66.6	-167.4	173.5	167.4	-1.7	112.5	I464 L465 E474	I464-R480 HydrophobicContact CG2-CB 3.78Å; I464-R480 HydrophobicContact CG2-CG 3.98Å; L465-R480 CarbonylContact O-C 3.56Å; L465-R480 WeakPolarHBondContact O-CA 3.27Å; L465-R480 WeakPolarHBondContact O-CB 3.15Å; E474-R480 VanDerWaalsContact OE1-CD 3.29Å; E474-R480 WeakPolarHBondContact OE1-CD 3.24Å; E474-R480 WeakPolarHBondContact OE1-CG 3.47Å; E474-R480 IonicContact OE1-NE 2.76Å; E474-R480 PolarHBondContact OE1-NE 3.4Å
481	L	95.2	Very high	92.8	Very high	6 Å²	6	64 Å²	64	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.2	-174.8	-64.1	173.8	0	0	0	110.3	L365 I464 L465 Q485 A486	L365-L481 HydrophobicContact CD1-CD1 3.81Å; I464-L481 CarbonylContact C-O 3.59Å; I464-L481 VanDerWaalsContact CA-O 3.3Å; I464-L481 WeakPolarHBondContact CA-O 3.49Å; L465-L481 HydrophobicContact CB-CB 4.5Å; L465-L481 PolarHBondContact N-O 2.9Å; L465-L481 PolarHBondContact O-N 3.2Å; L481-Q485 HydrophobicContact CB-CB 4.42Å; L481-Q485 HydrophobicContact CD2-CB 4.37Å; L481-A486 HydrophobicContact CD1-CB 4.31Å
482	R	93.6	Very high	92.8	Very high	163 Å²	163	62.1 Å²	62.1	62%	0.615	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.2	159.4	-67.4	-169.7	178.7	-168.5	-2.3	108.8	Q484 Q485	R482-Q484 VanDerWaalsContact C-N 3.26Å; R482-Q484 PolarHBondContact O-N 2.9Å; R482-Q484 VanDerWaalsContact O-N 3.15Å; R482-Q485 HydrophobicContact CB-CG 4.41Å; R482-Q485 WeakPolarHBondContact O-CB 3Å; R482-Q485 PolarHBondContact O-N 3.23Å
483	L	91.3	Very high	92.8	Very high	23 Å²	23	61 Å²	61	12%	0.12	26%	0.26	C	S	.	.	H	α-helix	trans	-51.7	-43.3	-174.1	-177.3	64.3	0	0	0	113	I461 P463 Q485 A486 L487 E523 V524	I461-L483 HydrophobicContact CG2-CD2 3.44Å; I461-L483 VanDerWaalsContact CG2-CD2 3.44Å; P463-L483 PolarHBondContact O-N 3.38Å; L483-Q485 PolarHBondContact O-N 2.83Å; L483-Q485 VanDerWaalsContact O-N 3.07Å; L483-A486 WeakPolarHBondContact O-CA 3.41Å; L483-A486 WeakPolarHBondContact O-CB 3.45Å; L483-A486 PolarHBondContact O-N 2.58Å; L483-L487 HydrophobicContact CD1-CD2 4.38Å; L483-L487 HydrophobicContact CG-CD2 4.46Å; L483-L487 PolarHBondContact O-N 3.36Å; L483-E523 HydrophobicContact CB-CB 3.99Å; L483-E523 HydrophobicContact CB-CG 3.96Å; L483-E523 HydrophobicContact CD2-CB 3.96Å; L483-V524 HydrophobicContact CD2-CG1 3.52Å
484	Q	87.8	Confident	92.8	Very high	55 Å²	55	55.8 Å²	55.8	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-23.7	-179.3	-52.8	89.9	-16	0	0	113.5	R482 A486	R482-Q484 VanDerWaalsContact C-N 3.26Å; R482-Q484 PolarHBondContact O-N 2.9Å; R482-Q484 VanDerWaalsContact O-N 3.15Å; Q484-A486 VanDerWaalsContact C-N 3.32Å
485	Q	89.6	Confident	92.8	Very high	87 Å²	87	56.1 Å²	56.1	41%	0.407	24%	0.237	S	C	.	.	H	α-helix	trans	-81.4	-16.3	177.1	-60.8	177.1	-29.6	0	0	112.7	L481 R482 L483 S489 R492	L481-Q485 HydrophobicContact CB-CB 4.42Å; L481-Q485 HydrophobicContact CD2-CB 4.37Å; R482-Q485 HydrophobicContact CB-CG 4.41Å; R482-Q485 WeakPolarHBondContact O-CB 3Å; R482-Q485 PolarHBondContact O-N 3.23Å; L483-Q485 PolarHBondContact O-N 2.83Å; L483-Q485 VanDerWaalsContact O-N 3.07Å; Q485-S489 PolarHBondContact O-OG 2.59Å; Q485-R492 PolarHBondContact O-NE 3.38Å; Q485-R492 PolarHBondContact O-NH2 2.84Å
486	A	91.8	Very high	93	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-94.7	-22.9	178.9	0	0	0	0	0	112.5	L365 L465 L481 L483 Q484 S489	L365-A486 HydrophobicContact CD1-CB 4.1Å; L365-A486 HydrophobicContact CG-CB 4.03Å; L465-A486 HydrophobicContact CD1-CB 3.96Å; L481-A486 HydrophobicContact CD1-CB 4.31Å; L483-A486 WeakPolarHBondContact O-CA 3.41Å; L483-A486 WeakPolarHBondContact O-CB 3.45Å; L483-A486 PolarHBondContact O-N 2.58Å; Q484-A486 VanDerWaalsContact C-N 3.32Å; A486-S489 WeakPolarHBondContact CA-OG 3.09Å; A486-S489 PolarHBondContact O-OG 3.05Å
487	L	89.9	Confident	93	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	133.8	179	-59.7	176.9	0	0	0	111.7	E363 L483 S489 L529	E363-L487 WeakPolarHBondContact O-CA 3.34Å; E363-L487 WeakPolarHBondContact O-CD2 3.46Å; L483-L487 HydrophobicContact CD1-CD2 4.38Å; L483-L487 HydrophobicContact CG-CD2 4.46Å; L483-L487 PolarHBondContact O-N 3.36Å; L487-S489 PolarHBondContact O-N 2.84Å; L487-S489 VanDerWaalsContact O-N 3.1Å; L487-L529 HydrophobicContact CB-CD2 4.34Å; L487-L529 HydrophobicContact CD1-CB 3.93Å
488	F	89.8	Confident	93.2	Very high	23 Å²	23	41.4 Å²	41.4	10%	0.101	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.3	174.9	-53.7	-73.8	0	0	0	114.9	F49 N362 E363 P490 L529 L531	F49-F488 HydrophobicContact CE1-CE1 4.49Å; N362-F488 HydrophobicContact CB-CD1 4.36Å; N362-F488 WeakPolarHBondContact O-CA 3.23Å; N362-F488 WeakPolarHBondContact O-CD1 3.35Å; N362-F488 PolarHBondContact O-N 3.43Å; N362-F488 VanDerWaalsContact O-N 3.1Å; E363-F488 HydrophobicContact CB-CE1 4.35Å; E363-F488 HydrophobicContact CB-CZ 4.48Å; E363-F488 HydrophobicContact CG-CZ 4.32Å; E363-F488 PolarHBondContact O-N 2.88Å; F488-P490 VanDerWaalsContact O-CD 3.3Å; F488-P490 WeakPolarHBondContact O-CD 3.39Å; F488-L529 HydrophobicContact CD2-CD2 4.43Å; F488-L531 HydrophobicContact CB-CD1 3.75Å; F488-L531 HydrophobicContact CB-CD2 3.56Å; F488-L531 HydrophobicContact CB-CG 3.79Å; F488-L531 HydrophobicContact CD1-CD1 3.41Å; F488-L531 VanDerWaalsContact CD1-CD1 3.41Å; F488-L531 HydrophobicContact CD1-CG 3.82Å; F488-L531 HydrophobicContact CD2-CD1 4.21Å; F488-L531 HydrophobicContact CD2-CD2 4.01Å; F488-L531 HydrophobicContact CD2-CG 3.66Å; F488-L531 HydrophobicContact CE1-CD1 3.98Å; F488-L531 HydrophobicContact CE1-CG 4.26Å; F488-L531 HydrophobicContact CE2-CG 4.14Å; F488-L531 HydrophobicContact CG-CD1 3.52Å; F488-L531 HydrophobicContact CG-CD2 3.81Å; F488-L531 HydrophobicContact CG-CG 3.47Å; F488-L531 VanDerWaalsContact CG-CG 3.47Å; F488-L531 HydrophobicContact CZ-CG 4.42Å
489	S	92.6	Very high	93.3	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.035	19%	0.187	C	C	.	.			trans	-121.8	53.2	-171.7	67.5	0	0	0	0	114	Q485 A486 L487 W491 R492	Q485-S489 PolarHBondContact O-OG 2.59Å; A486-S489 WeakPolarHBondContact CA-OG 3.09Å; A486-S489 PolarHBondContact O-OG 3.05Å; L487-S489 PolarHBondContact O-N 2.84Å; L487-S489 VanDerWaalsContact O-N 3.1Å; S489-W491 PolarHBondContact O-N 3.43Å; S489-R492 WeakPolarHBondContact O-CB 3.29Å; S489-R492 PolarHBondContact O-N 3.01Å
490	P	94.3	Very high	93.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-23.4	-177.6	26.1	-36.1	0	0	0	113.4	C342 I351 E352 F354 I368 F488 R492 I493 V494	C342-P490 HydrophobicContact CB-CG 3.69Å; I351-P490 HydrophobicContact CG2-CB 4.38Å; I351-P490 HydrophobicContact CG2-CG 4.31Å; E352-P490 WeakPolarHBondContact O-CG 3.25Å; F354-P490 HydrophobicContact CD2-CB 3.63Å; F354-P490 HydrophobicContact CE2-CB 3.64Å; I368-P490 HydrophobicContact CD1-CB 3.98Å; F488-P490 VanDerWaalsContact O-CD 3.3Å; F488-P490 WeakPolarHBondContact O-CD 3.39Å; P490-R492 PolarHBondContact O-N 3.04Å; P490-R492 VanDerWaalsContact O-N 3.14Å; P490-I493 PolarHBondContact O-N 3.09Å; P490-V494 PolarHBondContact O-N 3.33Å
491	W	94	Very high	93.6	Very high	43 Å²	43	31.3 Å²	31.3	16%	0.163	15%	0.145	C	C	.	.	H	α-helix	trans	-56.6	-26.7	173.2	72.8	-94.9	0	0	0	113.6	I351 S489 V494 K495 E496	I351-W491 HydrophobicContact CB-CB 3.93Å; I351-W491 HydrophobicContact CG1-CB 3.92Å; I351-W491 HydrophobicContact CG2-CB 4.1Å; S489-W491 PolarHBondContact O-N 3.43Å; W491-V494 PolarHBondContact O-N 2.94Å; W491-K495 VanDerWaalsContact O-CB 3.24Å; W491-K495 WeakPolarHBondContact O-CB 3.23Å; W491-K495 PolarHBondContact O-N 2.97Å; W491-E496 HydrophobicContact CE3-CG 4.5Å; W491-E496 VanDerWaalsContact CH2-OE1 3.3Å; W491-E496 WeakPolarHBondContact CH2-OE1 3.41Å; W491-E496 HydrophobicContact CZ3-CG 3.93Å; W491-E496 WeakPolarHBondContact CZ3-OE1 3.46Å
492	R	95.1	Very high	93.7	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.087	15%	0.145	C	C	.	.	H	α-helix	trans	-69.9	-38.4	175.5	-62.9	-171.1	178.2	-76.3	1	111.9	L365 Q485 S489 P490 E496	L365-R492 HydrophobicContact CD1-CB 4.27Å; L365-R492 HydrophobicContact CD2-CB 4.12Å; Q485-R492 PolarHBondContact O-NE 3.38Å; Q485-R492 PolarHBondContact O-NH2 2.84Å; S489-R492 WeakPolarHBondContact O-CB 3.29Å; S489-R492 PolarHBondContact O-N 3.01Å; P490-R492 PolarHBondContact O-N 3.04Å; P490-R492 VanDerWaalsContact O-N 3.14Å; R492-E496 HydrophobicContact CB-CB 4.47Å; R492-E496 HydrophobicContact CB-CG 4.47Å; R492-E496 WeakPolarHBondContact CG-OE2 3.45Å; R492-E496 IonicContact CZ-OE2 3.34Å; R492-E496 VanDerWaalsContact NH1-CD 3.26Å; R492-E496 IonicContact NH1-OE1 3.77Å; R492-E496 PolarHBondContact NH1-OE1 3.11Å; R492-E496 IonicContact NH1-OE2 2.8Å; R492-E496 PolarHBondContact NH1-OE2 2.89Å; R492-E496 CarbonylContact O-C 3.6Å; R492-E496 WeakPolarHBondContact O-CA 3.43Å; R492-E496 WeakPolarHBondContact O-CB 3.34Å; R492-E496 PolarHBondContact O-N 3.32Å
493	I	96.4	Very high	93.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-48.2	172.9	-60.6	-57.6	0	0	0	109.7	Y331 F354 L365 I368 V369 P490 G498 I499	Y331-I493 HydrophobicContact CD1-CG2 4.05Å; Y331-I493 HydrophobicContact CE1-CG2 3.62Å; Y331-I493 PolarHBondContact OH-O 3.22Å; F354-I493 HydrophobicContact CE2-CB 4.37Å; F354-I493 HydrophobicContact CE2-CG2 4.46Å; L365-I493 HydrophobicContact CB-CD1 4.45Å; L365-I493 HydrophobicContact CD2-CD1 4.2Å; L365-I493 HydrophobicContact CD2-CG1 4.09Å; I368-I493 HydrophobicContact CB-CG1 4.27Å; I368-I493 HydrophobicContact CD1-CG1 4.34Å; I368-I493 HydrophobicContact CG2-CB 4.47Å; I368-I493 HydrophobicContact CG2-CG1 3.83Å; I368-I493 HydrophobicContact CG2-CG2 4.43Å; V369-I493 HydrophobicContact CG2-CD1 4.12Å; P490-I493 PolarHBondContact O-N 3.09Å; I493-G498 WeakPolarHBondContact O-CA 3.41Å; I493-G498 PolarHBondContact O-N 3.02Å; I493-G498 VanDerWaalsContact O-N 3.08Å; I493-I499 HydrophobicContact CG2-CG2 3.93Å
494	V	95.6	Very high	94.3	Very high	23 Å²	23	23 Å²	23	14%	0.139	11%	0.112	C	C	.	.	H	α-helix	trans	-68.7	-40.1	-176	-179	0	0	0	0	112.8	F323 I351 F354 P490 W491	F323-V494 HydrophobicContact CB-CG1 3.93Å; F323-V494 HydrophobicContact CD1-CG1 3.58Å; F323-V494 HydrophobicContact CD2-CG1 4.12Å; F323-V494 HydrophobicContact CE1-CG1 4.08Å; F323-V494 HydrophobicContact CG-CG1 3.6Å; I351-V494 HydrophobicContact CD1-CB 4.1Å; I351-V494 HydrophobicContact CD1-CG1 3.7Å; I351-V494 HydrophobicContact CD1-CG2 4.37Å; I351-V494 HydrophobicContact CG2-CG2 4.09Å; F354-V494 HydrophobicContact CE1-CG2 4.48Å; F354-V494 HydrophobicContact CE2-CG2 4.47Å; F354-V494 HydrophobicContact CZ-CG2 3.7Å; P490-V494 PolarHBondContact O-N 3.33Å; W491-V494 PolarHBondContact O-N 2.94Å
495	K	93.2	Very high	94.7	Very high	108 Å²	108	20.5 Å²	20.5	47%	0.47	10%	0.101	S	C	.	.	H	α-helix	trans	-107.4	-18.2	-170.4	-60.8	179.4	177	172.3	0	114.3	R349 I351 W491	R349-K495 PolarHBondContact O-NZ 3.45Å; I351-K495 HydrophobicContact CG1-CD 4.47Å; W491-K495 VanDerWaalsContact O-CB 3.24Å; W491-K495 WeakPolarHBondContact O-CB 3.23Å; W491-K495 PolarHBondContact O-N 2.97Å
496	E	94.1	Very high	95.1	Very high	40 Å²	40	16.5 Å²	16.5	19%	0.187	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	48.1	-174.3	-54.7	-174.5	156.1	0	0	112.9	R467 F478 W491 R492	R467-E496 IonicContact CZ-OE2 2.94Å; R467-E496 IonicContact NH1-OE2 3.91Å; R467-E496 PolarHBondContact NH1-OE2 3.43Å; R467-E496 IonicContact NH2-OE2 3.3Å; F478-E496 HydrophobicContact CD1-CB 3.63Å; F478-E496 HydrophobicContact CD1-CG 4.43Å; F478-E496 WeakPolarHBondContact CD1-O 3.4Å; F478-E496 VanDerWaalsContact CE1-C 3.4Å; F478-E496 VanDerWaalsContact CE1-CA 3.42Å; F478-E496 HydrophobicContact CE1-CB 3.88Å; F478-E496 HydrophobicContact CG-CB 4.42Å; F478-E496 WeakPolarHBondContact CG-O 3.19Å; W491-E496 HydrophobicContact CE3-CG 4.5Å; W491-E496 VanDerWaalsContact CH2-OE1 3.3Å; W491-E496 WeakPolarHBondContact CH2-OE1 3.41Å; W491-E496 HydrophobicContact CZ3-CG 3.93Å; W491-E496 WeakPolarHBondContact CZ3-OE1 3.46Å; R492-E496 HydrophobicContact CB-CB 4.47Å; R492-E496 HydrophobicContact CB-CG 4.47Å; R492-E496 WeakPolarHBondContact CG-OE2 3.45Å; R492-E496 IonicContact CZ-OE2 3.34Å; R492-E496 VanDerWaalsContact NH1-CD 3.26Å; R492-E496 IonicContact NH1-OE1 3.77Å; R492-E496 PolarHBondContact NH1-OE1 3.11Å; R492-E496 IonicContact NH1-OE2 2.8Å; R492-E496 PolarHBondContact NH1-OE2 2.89Å; R492-E496 CarbonylContact O-C 3.6Å; R492-E496 WeakPolarHBondContact O-CA 3.43Å; R492-E496 WeakPolarHBondContact O-CB 3.34Å; R492-E496 PolarHBondContact O-N 3.32Å
497	G	92.1	Very high	95.4	Very high	19 Å²	19	16.5 Å²	16.5	20%	0.196	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	11.2	163.3	0	0	0	0	0	116.8	F478 P501	F478-G497 VanDerWaalsContact CE2-CA 3.44Å; G497-P501 VanDerWaalsContact O-CD 3.32Å; G497-P501 WeakPolarHBondContact O-CD 3.36Å
498	G	96.3	Very high	95.8	Very high	5 Å²	5	16.5 Å²	16.5	5%	0.052	9%	0.085	C	C	.	.			trans	82.1	-153.6	178.8	0	0	0	0	0	113.2	Y331 I493	Y331-G498 VanDerWaalsContact OH-CA 3.28Å; Y331-G498 WeakPolarHBondContact OH-CA 3.44Å; I493-G498 WeakPolarHBondContact O-CA 3.41Å; I493-G498 PolarHBondContact O-N 3.02Å; I493-G498 VanDerWaalsContact O-N 3.08Å
499	I	97.9	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-85	-21.3	179.8	62.5	168.5	0	0	0	111.7	Y331 V369 T372 L373 I493 T502 L503	Y331-I499 HydrophobicContact CE1-CG2 4.43Å; V369-I499 HydrophobicContact CB-CB 4.41Å; V369-I499 HydrophobicContact CG1-CB 4.22Å; V369-I499 HydrophobicContact CG2-CB 3.92Å; V369-I499 HydrophobicContact CG2-CG2 4.17Å; T372-I499 HydrophobicContact CG2-CD1 4.44Å; T372-I499 HydrophobicContact CG2-CG2 4.02Å; L373-I499 HydrophobicContact CD2-CD1 3.82Å; L373-I499 HydrophobicContact CG-CD1 4.05Å; I493-I499 HydrophobicContact CG2-CG2 3.93Å; I499-T502 PolarHBondContact O-N 3.46Å; I499-L503 VanDerWaalsContact O-CB 3.26Å; I499-L503 WeakPolarHBondContact O-CB 3.35Å; I499-L503 PolarHBondContact O-N 3.17Å
500	E	96.7	Very high	96.3	Very high	8 Å²	8	18 Å²	18	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-44.5	-165.6	-68.4	67	-156.5	0	0	113.6	R329 R376 T502 L503 R504 D664	R329-E500 IonicContact CZ-OE1 3.97Å; R329-E500 IonicContact NH2-OE1 3.97Å; R329-E500 PolarHBondContact NH2-OE1 2.94Å; R329-E500 VanDerWaalsContact NH2-OE1 3.11Å; R376-E500 IonicContact NH1-OE1 3.57Å; E500-T502 VanDerWaalsContact C-N 3.34Å; E500-T502 PolarHBondContact O-N 3.46Å; E500-L503 PolarHBondContact O-N 3.36Å; E500-R504 WeakPolarHBondContact O-CG 3.42Å; E500-R504 PolarHBondContact O-N 2.86Å; E500-D664 HydrophobicContact CG-CB 4.16Å
501	P	97.7	Very high	96.4	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-42.8	179.9	-22.9	34.3	0	0	0	112.5	R467 L468 F478 G497 G505	R467-P501 WeakPolarHBondContact CA-O 3.47Å; R467-P501 HydrophobicContact CB-CB 4.07Å; L468-P501 PolarHBondContact N-O 3.1Å; L468-P501 WeakPolarHBondContact O-CA 3.35Å; F478-P501 HydrophobicContact CB-CB 4.44Å; F478-P501 HydrophobicContact CD2-CB 4.45Å; F478-P501 HydrophobicContact CD2-CG 3.8Å; F478-P501 HydrophobicContact CE2-CG 4.44Å; G497-P501 VanDerWaalsContact O-CD 3.32Å; G497-P501 WeakPolarHBondContact O-CD 3.36Å; P501-G505 PolarHBondContact O-N 3.01Å
502	T	98.1	Very high	96.4	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.025	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-46.8	176	-57.3	0	0	0	0	110.4	L365 P366 V369 L465 I499 E500 R504 G505 M506	L365-T502 HydrophobicContact CB-CG2 4.06Å; P366-T502 HydrophobicContact CG-CG2 4.47Å; V369-T502 HydrophobicContact CG2-CG2 3.8Å; L465-T502 HydrophobicContact CD1-CG2 4.44Å; L465-T502 HydrophobicContact CD2-CG2 4.29Å; I499-T502 PolarHBondContact O-N 3.46Å; E500-T502 VanDerWaalsContact C-N 3.34Å; E500-T502 PolarHBondContact O-N 3.46Å; T502-R504 VanDerWaalsContact C-N 3.34Å; T502-R504 PolarHBondContact O-N 2.94Å; T502-G505 CarbonylContact O-C 3.53Å; T502-G505 WeakPolarHBondContact O-CA 3.45Å; T502-G505 PolarHBondContact O-N 2.91Å; T502-M506 HydrophobicContact CG2-CG 4.42Å; T502-M506 HydrophobicContact CG2-SD 4.12Å; T502-M506 VanDerWaalsContact O-CG 3.31Å; T502-M506 WeakPolarHBondContact O-CG 3.48Å; T502-M506 PolarHBondContact O-N 3.22Å
503	L	98.3	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.5	-42	-179.9	-175.2	54.6	0	0	0	112.5	V369 L373 I499 E500 G505 M506 V507 I659 I665	V369-L503 HydrophobicContact CG1-CB 3.86Å; V369-L503 HydrophobicContact CG1-CD1 3.81Å; V369-L503 HydrophobicContact CG1-CD2 4.43Å; V369-L503 HydrophobicContact CG1-CG 4.24Å; L373-L503 HydrophobicContact CD1-CD1 3.94Å; L373-L503 HydrophobicContact CD1-CD2 3.94Å; L373-L503 HydrophobicContact CD2-CD2 4.13Å; L373-L503 HydrophobicContact CG-CD2 4.47Å; I499-L503 VanDerWaalsContact O-CB 3.26Å; I499-L503 WeakPolarHBondContact O-CB 3.35Å; I499-L503 PolarHBondContact O-N 3.17Å; E500-L503 PolarHBondContact O-N 3.36Å; L503-G505 VanDerWaalsContact C-N 3.31Å; L503-G505 PolarHBondContact O-N 2.66Å; L503-M506 HydrophobicContact CD1-SD 4.39Å; L503-M506 WeakPolarHBondContact O-CB 3.45Å; L503-M506 PolarHBondContact O-N 3.38Å; L503-V507 PolarHBondContact O-N 3.39Å; L503-V507 VanDerWaalsContact O-N 3.14Å; L503-I659 HydrophobicContact CD1-CD1 4.1Å; L503-I659 HydrophobicContact CD1-CG1 4.22Å; L503-I659 HydrophobicContact CD2-CG1 4.4Å; L503-I659 HydrophobicContact CD2-CG2 3.79Å; L503-I659 HydrophobicContact CG-CG2 4.32Å; L503-I665 HydrophobicContact CB-CD1 4.21Å; L503-I665 HydrophobicContact CD2-CD1 3.79Å; L503-I665 HydrophobicContact CG-CD1 3.69Å
504	R	98.3	Very high	95.9	Very high	14 Å²	14	17.8 Å²	17.8	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-39.9	172.8	-69.8	-173	-158.7	100.1	4.5	111.9	L468 N469 F472 E500 T502 M506 V507 A508 I665	L468-R504 HydrophobicContact CB-CB 3.85Å; L468-R504 PolarHBondContact O-NH1 2.9Å; N469-R504 WeakPolarHBondContact O-CD 3.4Å; F472-R504 HydrophobicContact CD1-CB 3.99Å; F472-R504 HydrophobicContact CD1-CG 4.22Å; F472-R504 HydrophobicContact CE1-CB 3.83Å; F472-R504 HydrophobicContact CE1-CG 3.72Å; F472-R504 HydrophobicContact CZ-CG 4.13Å; E500-R504 WeakPolarHBondContact O-CG 3.42Å; E500-R504 PolarHBondContact O-N 2.86Å; T502-R504 VanDerWaalsContact C-N 3.34Å; T502-R504 PolarHBondContact O-N 2.94Å; R504-M506 VanDerWaalsContact C-N 3.34Å; R504-V507 WeakPolarHBondContact O-CG2 3.32Å; R504-V507 PolarHBondContact O-N 3.27Å; R504-A508 WeakPolarHBondContact O-CB 3.29Å; R504-A508 PolarHBondContact O-N 3.03Å; R504-I665 HydrophobicContact CG-CD1 3.69Å; R504-I665 HydrophobicContact CG-CG1 3.97Å
505	G	97.8	Very high	95.6	Very high	2 Å²	2	18 Å²	18	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-57.6	-45.2	172.4	0	0	0	0	0	112.7	P501 T502 L503 V507 T509	P501-G505 PolarHBondContact O-N 3.01Å; T502-G505 CarbonylContact O-C 3.53Å; T502-G505 WeakPolarHBondContact O-CA 3.45Å; T502-G505 PolarHBondContact O-N 2.91Å; L503-G505 VanDerWaalsContact C-N 3.31Å; L503-G505 PolarHBondContact O-N 2.66Å; G505-V507 PolarHBondContact O-N 2.86Å; G505-T509 WeakPolarHBondContact O-CB 3.47Å; G505-T509 PolarHBondContact O-N 3.49Å; G505-T509 VanDerWaalsContact O-N 3.12Å; G505-T509 PolarHBondContact O-OG1 2.79Å
506	M	98.1	Very high	95.4	Very high	4 Å²	4	14 Å²	14	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-45	179.1	-61.3	166.6	65	0	0	111.7	Q196 L197 D200 P366 V369 L370 T502 L503 R504	Q196-M506 PolarHBondContact N-O 2.7Å; L197-M506 HydrophobicContact CB-CB 4.26Å; L197-M506 HydrophobicContact CD1-CB 4.35Å; L197-M506 HydrophobicContact CD1-CE 3.56Å; L197-M506 PolarHBondContact N-O 3.34Å; D200-M506 HydrophobicContact CB-CE 3.72Å; D200-M506 WeakPolarHBondContact OD2-CE 3.44Å; D200-M506 VanDerWaalsContact OD2-CG 3.31Å; D200-M506 WeakPolarHBondContact OD2-CG 3.26Å; P366-M506 HydrophobicContact CB-CE 3.83Å; P366-M506 HydrophobicContact CB-CG 4.43Å; P366-M506 HydrophobicContact CB-SD 3.85Å; V369-M506 HydrophobicContact CB-SD 4.2Å; V369-M506 HydrophobicContact CG1-SD 3.94Å; L370-M506 HydrophobicContact CD1-CE 4.06Å; L370-M506 HydrophobicContact CD2-CE 4.15Å; L370-M506 HydrophobicContact CG-CE 3.91Å; T502-M506 HydrophobicContact CG2-CG 4.42Å; T502-M506 HydrophobicContact CG2-SD 4.12Å; T502-M506 VanDerWaalsContact O-CG 3.31Å; T502-M506 WeakPolarHBondContact O-CG 3.48Å; T502-M506 PolarHBondContact O-N 3.22Å; L503-M506 HydrophobicContact CD1-SD 4.39Å; L503-M506 WeakPolarHBondContact O-CB 3.45Å; L503-M506 PolarHBondContact O-N 3.38Å; R504-M506 VanDerWaalsContact C-N 3.34Å
507	V	97.9	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-80.4	-29.7	-175.7	-55.2	0	0	0	0	114.1	S195 L197 F472 L503 R504 G505 I659 P672	S195-V507 WeakPolarHBondContact CB-O 3.2Å; L197-V507 HydrophobicContact CD2-CG1 4.17Å; F472-V507 HydrophobicContact CE1-CG2 3.8Å; L503-V507 PolarHBondContact O-N 3.39Å; L503-V507 VanDerWaalsContact O-N 3.14Å; R504-V507 WeakPolarHBondContact O-CG2 3.32Å; R504-V507 PolarHBondContact O-N 3.27Å; G505-V507 PolarHBondContact O-N 2.86Å; V507-I659 HydrophobicContact CG1-CD1 4.1Å; V507-P672 HydrophobicContact CG1-CB 4.46Å
508	A	97.1	Very high	95	Very high	20 Å²	20	15.8 Å²	15.8	17%	0.165	10%	0.104	C	C	.	.	H	α-helix	trans	-114.9	4.6	-167.9	0	0	0	0	0	114.8	L468 F472 R504 F682	L468-A508 HydrophobicContact CD1-CB 3.83Å; F472-A508 HydrophobicContact CD1-CB 3.45Å; F472-A508 VanDerWaalsContact CD1-CB 3.45Å; F472-A508 HydrophobicContact CE1-CB 4.02Å; F472-A508 HydrophobicContact CG-CB 4.37Å; R504-A508 WeakPolarHBondContact O-CB 3.29Å; R504-A508 PolarHBondContact O-N 3.03Å; A508-F682 HydrophobicContact CB-CZ 3.96Å
509	T	96.9	Very high	94.9	Very high	29 Å²	29	15.6 Å²	15.6	18%	0.178	10%	0.102	C	C	.	.	S	Bend	trans	-114.2	151.2	170.2	67.8	0	0	0	0	111.2	S195 Q196 L468 G505	S195-T509 CarbonylContact C-O 3.48Å; S195-T509 WeakPolarHBondContact CA-O 3.32Å; Q196-T509 PolarHBondContact N-O 2.98Å; L468-T509 HydrophobicContact CD1-CG2 4.01Å; G505-T509 WeakPolarHBondContact O-CB 3.47Å; G505-T509 PolarHBondContact O-N 3.49Å; G505-T509 VanDerWaalsContact O-N 3.12Å; G505-T509 PolarHBondContact O-OG1 2.79Å
510	A	97.1	Very high	94.8	Very high	31 Å²	31	15.6 Å²	15.6	26%	0.256	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.2	-179.2	0	0	0	0	0	111.1	A190 D191 L675	A190-A510 HydrophobicContact CB-CB 3.78Å; D191-A510 WeakPolarHBondContact O-CB 3.47Å; A510-L675 HydrophobicContact CB-CD1 4.4Å; A510-L675 HydrophobicContact CB-CD2 3.81Å
511	A	96.2	Very high	94.7	Very high	6 Å²	6	15.2 Å²	15.2	5%	0.05	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	157.5	166	0	0	0	0	0	110.7	D191 Y194 S195	D191-A511 HydrophobicContact CB-CB 4Å; D191-A511 VanDerWaalsContact CB-O 3.31Å; D191-A511 WeakPolarHBondContact CB-O 3.38Å; D191-A511 PolarHBondContact N-O 2.99Å; Y194-A511 PolarHBondContact O-N 3.27Å; S195-A511 WeakPolarHBondContact O-CB 3.17Å
512	A	93.6	Very high	94.4	Very high	9 Å²	9	18.2 Å²	18.2	7%	0.074	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.7	168.7	0	0	0	0	0	110.6	K188 P462	K188-A512 HydrophobicContact CB-CB 4.14Å; K188-A512 HydrophobicContact CD-CB 3.62Å; P462-A512 HydrophobicContact CB-CB 4.23Å
513	V	90.3	Very high	94.1	Very high	38 Å²	38	19.4 Å²	19.4	23%	0.23	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-89.3	139	177.5	177.5	0	0	0	0	110	D189 D191	D189-V513 PolarHBondContact O-N 3.32Å; D191-V513 HydrophobicContact CB-CG2 3.53Å
514	A	90.4	Very high	93.8	Very high	9 Å²	9	19.6 Å²	19.6	7%	0.074	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-91.5	137	166.4	0	0	0	0	0	110.2	A459 L519 F607	A459-A514 HydrophobicContact CB-CB 3.51Å; A514-L519 HydrophobicContact CB-CD2 4.44Å; A514-F607 HydrophobicContact CB-CZ 4.07Å; A514-F607 WeakPolarHBondContact O-CE2 3.39Å; A514-F607 WeakPolarHBondContact O-CZ 3.33Å
515	A	89.3	Confident	93.4	Very high	28 Å²	28	19 Å²	19	23%	0.231	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-133.4	158.2	172	0	0	0	0	0	109.4	D517 S518 L519	A515-D517 PolarHBondContact O-N 2.77Å; A515-D517 VanDerWaalsContact O-N 3.09Å; A515-S518 PolarHBondContact N-O 3.1Å; A515-S518 CarbonylContact O-C 3.56Å; A515-S518 PolarHBondContact O-N 3.43Å; A515-S518 VanDerWaalsContact O-O 3.1Å; A515-L519 VanDerWaalsContact O-CD2 3.23Å; A515-L519 WeakPolarHBondContact O-CD2 3.39Å
516	P	88.6	Confident	92.9	Very high	25 Å²	25	20.7 Å²	20.7	16%	0.162	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.5	-177.9	-30	36.1	0	0	0	115.4	V577 D579 V582	P516-V577 HydrophobicContact CB-CG1 3.72Å; P516-V577 HydrophobicContact CG-CG1 4.13Å; P516-V577 WeakPolarHBondContact CG-O 3.18Å; P516-D579 HydrophobicContact CB-CB 4.28Å; P516-V582 HydrophobicContact CB-CB 4.45Å; P516-V582 HydrophobicContact CB-CG1 4.25Å; P516-V582 HydrophobicContact CB-CG2 4.31Å
517	D	87.7	Confident	92.2	Very high	81 Å²	81	22.4 Å²	22.4	43%	0.433	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	4.9	176.9	70.8	-26.3	0	0	0	114	A515 R581 V582	A515-D517 PolarHBondContact O-N 2.77Å; A515-D517 VanDerWaalsContact O-N 3.09Å; D517-R581 IonicContact OD2-NH2 2.72Å; D517-R581 PolarHBondContact OD2-NH2 3.41Å; D517-V582 HydrophobicContact CB-CG2 3.83Å
518	S	91.5	Very high	91.5	Very high	15 Å²	15	23.1 Å²	23.1	11%	0.105	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-146.7	79.4	-178.3	-168.4	0	0	0	0	110.7	T185 C187 A515	T185-S518 WeakPolarHBondContact CG2-OG 3.48Å; T185-S518 PolarHBondContact OG1-OG 3Å; C187-S518 PolarHBondContact O-OG 2.83Å; A515-S518 PolarHBondContact N-O 3.1Å; A515-S518 CarbonylContact O-C 3.56Å; A515-S518 PolarHBondContact O-N 3.43Å; A515-S518 VanDerWaalsContact O-O 3.1Å
519	L	94.1	Very high	90.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.			trans	-98.4	-67	-174.3	-65.4	175.8	0	0	0	112.9	V183 K188 A459 A514 A515 L600 L603 V604	V183-L519 HydrophobicContact CB-CD1 4.43Å; V183-L519 HydrophobicContact CG1-CB 3.81Å; V183-L519 HydrophobicContact CG1-CD1 4.27Å; V183-L519 HydrophobicContact CG2-CD1 4.24Å; V183-L519 WeakPolarHBondContact O-CB 3.41Å; V183-L519 PolarHBondContact O-N 3.41Å; K188-L519 WeakPolarHBondContact CE-O 3.29Å; K188-L519 PolarHBondContact NZ-O 3.47Å; A459-L519 WeakPolarHBondContact CA-O 3.36Å; A514-L519 HydrophobicContact CB-CD2 4.44Å; A515-L519 VanDerWaalsContact O-CD2 3.23Å; A515-L519 WeakPolarHBondContact O-CD2 3.39Å; L519-L600 HydrophobicContact CD1-CD1 4.22Å; L519-L603 HydrophobicContact CD2-CB 4.29Å; L519-V604 HydrophobicContact CD1-CG1 3.94Å
520	L	95.8	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138	-176.9	-81	68	0	0	0	111.9	V183 R184 T185 H458 A459 V524 T525 L539 A540 W599	V183-L520 HydrophobicContact CG1-CB 3.92Å; V183-L520 HydrophobicContact CG1-CD1 3.76Å; V183-L520 HydrophobicContact CG1-CD2 4.47Å; V183-L520 HydrophobicContact CG1-CG 4.24Å; V183-L520 PolarHBondContact O-N 3.06Å; R184-L520 CarbonylContact C-O 3.59Å; R184-L520 WeakPolarHBondContact CA-O 3.35Å; T185-L520 WeakPolarHBondContact CG2-O 3.48Å; T185-L520 PolarHBondContact N-O 2.92Å; H458-L520 HydrophobicContact CB-CD2 4.16Å; A459-L520 HydrophobicContact CB-CD1 3.96Å; L520-V524 HydrophobicContact CB-CG2 4.14Å; L520-V524 HydrophobicContact CD2-CG2 4.16Å; L520-V524 HydrophobicContact CG-CG2 4.35Å; L520-T525 HydrophobicContact CB-CG2 3.69Å; L520-L539 HydrophobicContact CD2-CB 4.47Å; L520-L539 HydrophobicContact CD2-CD2 4.47Å; L520-L539 HydrophobicContact CD2-CG 4.48Å; L520-A540 HydrophobicContact CD2-CB 4.07Å; L520-W599 HydrophobicContact CD1-CH2 4.07Å; L520-W599 HydrophobicContact CD1-CZ2 4.11Å; L520-W599 HydrophobicContact CD2-CH2 4.18Å; L520-W599 HydrophobicContact CD2-CZ2 4.32Å
521	V	94.3	Very high	87.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	152.4	-178	-62.7	0	0	0	0	112.8	T185 K188 P463 E523 V524 T525	T185-V521 HydrophobicContact CG2-CG1 4.31Å; T185-V521 CarbonylContact O-C 3.58Å; T185-V521 WeakPolarHBondContact O-CA 3.4Å; K188-V521 HydrophobicContact CD-CG1 3.74Å; K188-V521 HydrophobicContact CG-CG1 3.72Å; P463-V521 HydrophobicContact CB-CB 4.38Å; P463-V521 HydrophobicContact CB-CG1 4.28Å; P463-V521 HydrophobicContact CB-CG2 4.44Å; P463-V521 HydrophobicContact CG-CG1 4.41Å; V521-E523 VanDerWaalsContact CB-OE2 3.26Å; V521-E523 WeakPolarHBondContact CB-OE2 3.38Å; V521-E523 HydrophobicContact CG2-CB 4.03Å; V521-E523 WeakPolarHBondContact CG2-OE2 3.24Å; V521-E523 PolarHBondContact O-N 3.02Å; V521-E523 VanDerWaalsContact O-N 3.09Å; V521-V524 HydrophobicContact CG2-CG2 4.2Å; V521-V524 WeakPolarHBondContact O-CG2 3.41Å; V521-V524 PolarHBondContact O-N 3.22Å; V521-T525 PolarHBondContact O-N 3.41Å
522	E	91.9	Very high	85.4	Confident	68 Å²	68	27.4 Å²	27.4	32%	0.318	16%	0.155	S	C	.	.	H	α-helix	trans	-55.1	-27.8	179.1	-72.1	178.2	172.6	0	0	113.4	R184 T185 V524 T525 E526 S527	R184-E522 HydrophobicContact CG-CG 3.99Å; R184-E522 IonicContact CZ-OE1 3.94Å; R184-E522 IonicContact NH1-OE1 3.59Å; R184-E522 PolarHBondContact NH1-OE1 3.45Å; T185-E522 PolarHBondContact O-N 2.98Å; T185-E522 VanDerWaalsContact O-N 3.1Å; E522-V524 PolarHBondContact O-N 2.79Å; E522-V524 VanDerWaalsContact O-N 3.15Å; E522-T525 WeakPolarHBondContact CA-OG1 3.32Å; E522-T525 PolarHBondContact O-N 3.03Å; E522-E526 HydrophobicContact CB-CG 4.3Å; E522-E526 HydrophobicContact CG-CG 4.31Å; E522-E526 WeakPolarHBondContact O-CB 3.31Å; E522-E526 PolarHBondContact O-N 3.06Å; E522-S527 PolarHBondContact O-N 3.49Å
523	E	90.8	Very high	83.7	Confident	29 Å²	29	28.2 Å²	28.2	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-56.1	-30.3	175.4	-69.1	63.5	-159	0	0	113.2	P463 L483 V521 S527 L528	P463-E523 HydrophobicContact CB-CG 4.23Å; P463-E523 WeakPolarHBondContact CB-OE1 3.44Å; P463-E523 VanDerWaalsContact CB-OE2 3.27Å; P463-E523 WeakPolarHBondContact CB-OE2 3.31Å; L483-E523 HydrophobicContact CB-CB 3.99Å; L483-E523 HydrophobicContact CB-CG 3.96Å; L483-E523 HydrophobicContact CD2-CB 3.96Å; V521-E523 VanDerWaalsContact CB-OE2 3.26Å; V521-E523 WeakPolarHBondContact CB-OE2 3.38Å; V521-E523 HydrophobicContact CG2-CB 4.03Å; V521-E523 WeakPolarHBondContact CG2-OE2 3.24Å; V521-E523 PolarHBondContact O-N 3.02Å; V521-E523 VanDerWaalsContact O-N 3.09Å; E523-S527 CarbonylContact O-C 3.5Å; E523-S527 VanDerWaalsContact O-C 3.25Å; E523-L528 PolarHBondContact O-N 3.33Å
524	V	91.5	Very high	82.3	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-113.3	-11.3	-180	-61	0	0	0	0	114	I461 L483 L520 V521 E522 L528 L539	I461-V524 HydrophobicContact CD1-CG1 4.36Å; I461-V524 HydrophobicContact CG2-CG1 4.17Å; L483-V524 HydrophobicContact CD2-CG1 3.52Å; L520-V524 HydrophobicContact CB-CG2 4.14Å; L520-V524 HydrophobicContact CD2-CG2 4.16Å; L520-V524 HydrophobicContact CG-CG2 4.35Å; V521-V524 HydrophobicContact CG2-CG2 4.2Å; V521-V524 WeakPolarHBondContact O-CG2 3.41Å; V521-V524 PolarHBondContact O-N 3.22Å; E522-V524 PolarHBondContact O-N 2.79Å; E522-V524 VanDerWaalsContact O-N 3.15Å; V524-L528 HydrophobicContact CB-CD1 4.31Å; V524-L528 HydrophobicContact CG1-CD1 4.19Å; V524-L539 HydrophobicContact CB-CB 4.09Å; V524-L539 HydrophobicContact CB-CD2 4.12Å; V524-L539 HydrophobicContact CG2-CD2 4.35Å; V524-L539 VanDerWaalsContact O-CB 3.29Å; V524-L539 WeakPolarHBondContact O-CB 3.37Å; V524-L539 PolarHBondContact O-N 2.83Å
525	T	91.3	Very high	81.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-99.8	-25.1	175.4	66.2	0	0	0	0	113.5	R176 L520 V521 E522 D538 A540	R176-T525 PolarHBondContact NH1-O 3.49Å; L520-T525 HydrophobicContact CB-CG2 3.69Å; V521-T525 PolarHBondContact O-N 3.41Å; E522-T525 WeakPolarHBondContact CA-OG1 3.32Å; E522-T525 PolarHBondContact O-N 3.03Å; T525-D538 WeakPolarHBondContact O-CB 3.28Å; T525-A540 HydrophobicContact CG2-CB 4.32Å
526	E	86.6	Confident	80.9	Confident	39 Å²	39	41.5 Å²	41.5	18%	0.182	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-21.6	-178.9	-59.2	-58.2	137.8	0	0	113.2	R176 R180 R184 E522	R176-E526 IonicContact CZ-OE1 2.73Å; R176-E526 IonicContact CZ-OE2 3.36Å; R176-E526 IonicContact NH1-OE1 2.79Å; R176-E526 PolarHBondContact NH1-OE1 3.26Å; R176-E526 IonicContact NH1-OE2 3.56Å; R176-E526 VanDerWaalsContact NH2-CD 3.29Å; R176-E526 IonicContact NH2-OE1 3.78Å; R176-E526 PolarHBondContact NH2-OE1 2.92Å; R176-E526 IonicContact NH2-OE2 3.54Å; R176-E526 PolarHBondContact NH2-OE2 3.36Å; R180-E526 IonicContact NE-OE1 3.01Å; R180-E526 IonicContact NE-OE2 3.71Å; R180-E526 IonicContact NH2-OE2 3.75Å; R180-E526 PolarHBondContact NH2-OE2 2.62Å; R184-E526 WeakPolarHBondContact CD-OE1 3.49Å; E522-E526 HydrophobicContact CB-CG 4.3Å; E522-E526 HydrophobicContact CG-CG 4.31Å; E522-E526 WeakPolarHBondContact O-CB 3.31Å; E522-E526 PolarHBondContact O-N 3.06Å
527	S	83.8	Confident	80.8	Confident	39 Å²	39	40.5 Å²	40.5	27%	0.273	21%	0.21	S	C	.	.			trans	-140.2	30	-168.7	-64.8	0	0	0	0	113.2	E522 E523 L529	E522-S527 PolarHBondContact O-N 3.49Å; E523-S527 CarbonylContact O-C 3.5Å; E523-S527 VanDerWaalsContact O-C 3.25Å; S527-L529 PolarHBondContact O-N 2.71Å
528	L	83.2	Confident	81.1	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-61.6	113.8	176.7	-175.2	69.3	0	0	0	109	E523 V524 V530 L537 L539 L542	E523-L528 PolarHBondContact O-N 3.33Å; V524-L528 HydrophobicContact CB-CD1 4.31Å; V524-L528 HydrophobicContact CG1-CD1 4.19Å; L528-V530 HydrophobicContact CD2-CG2 4.48Å; L528-V530 HydrophobicContact CG-CG2 4.43Å; L528-L537 HydrophobicContact CB-CB 4.35Å; L528-L537 WeakPolarHBondContact CB-O 3.34Å; L528-L537 HydrophobicContact CD2-CB 4.26Å; L528-L537 PolarHBondContact N-O 3.07Å; L528-L537 PolarHBondContact O-N 2.86Å; L528-L537 VanDerWaalsContact O-N 3.14Å; L528-L539 HydrophobicContact CD2-CB 4.05Å; L528-L539 HydrophobicContact CD2-CD1 4.31Å; L528-L542 HydrophobicContact CD2-CD1 3.94Å
529	L	74.7	Confident	81.2	Confident	66 Å²	66	37 Å²	37	35%	0.346	19%	0.19	S	C	.	.			trans	-75.8	130.1	175.5	-178.1	67.8	0	0	0	109.3	L487 F488 S527	L487-L529 HydrophobicContact CB-CD2 4.34Å; L487-L529 HydrophobicContact CD1-CB 3.93Å; F488-L529 HydrophobicContact CD2-CD2 4.43Å; S527-L529 PolarHBondContact O-N 2.71Å
530	V	66.6	Low	81.4	Confident	6 Å²	6	37 Å²	37	4%	0.036	19%	0.19	C	C	.	.			trans	-128.8	120.2	172.4	179.5	0	0	0	0	105.6	F47 L528 D532 S533 L537	F47-V530 HydrophobicContact CD1-CG1 3.48Å; F47-V530 VanDerWaalsContact CD1-CG1 3.48Å; F47-V530 HydrophobicContact CD1-CG2 4.45Å; F47-V530 HydrophobicContact CD2-CG1 3.68Å; F47-V530 HydrophobicContact CE1-CB 3.92Å; F47-V530 HydrophobicContact CE1-CG1 3.33Å; F47-V530 HydrophobicContact CE1-CG2 3.44Å; F47-V530 VanDerWaalsContact CE1-CG2 3.44Å; F47-V530 HydrophobicContact CE2-CB 4.22Å; F47-V530 HydrophobicContact CE2-CG1 3.55Å; F47-V530 HydrophobicContact CE2-CG2 3.74Å; F47-V530 HydrophobicContact CG-CG1 3.69Å; F47-V530 HydrophobicContact CZ-CB 3.8Å; F47-V530 HydrophobicContact CZ-CG1 3.41Å; F47-V530 VanDerWaalsContact CZ-CG1 3.41Å; F47-V530 HydrophobicContact CZ-CG2 3.03Å; L528-V530 HydrophobicContact CD2-CG2 4.48Å; L528-V530 HydrophobicContact CG-CG2 4.43Å; V530-D532 PolarHBondContact O-N 3.44Å; V530-S533 PolarHBondContact O-N 2.89Å; V530-L537 HydrophobicContact CG2-CB 4.36Å; V530-L537 HydrophobicContact CG2-CD1 3.69Å; V530-L537 HydrophobicContact CG2-CG 3.95Å
531	L	59.2	Low	81.4	Confident	61 Å²	61	37 Å²	37	32%	0.319	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-19.4	-171.4	-75.7	-179.3	0	0	0	114.7	A341 F488	A341-L531 HydrophobicContact CB-CB 4.03Å; A341-L531 HydrophobicContact CB-CD1 3.43Å; A341-L531 VanDerWaalsContact CB-CD1 3.43Å; A341-L531 HydrophobicContact CB-CG 4.23Å; F488-L531 HydrophobicContact CB-CD1 3.75Å; F488-L531 HydrophobicContact CB-CD2 3.56Å; F488-L531 HydrophobicContact CB-CG 3.79Å; F488-L531 HydrophobicContact CD1-CD1 3.41Å; F488-L531 VanDerWaalsContact CD1-CD1 3.41Å; F488-L531 HydrophobicContact CD1-CG 3.82Å; F488-L531 HydrophobicContact CD2-CD1 4.21Å; F488-L531 HydrophobicContact CD2-CD2 4.01Å; F488-L531 HydrophobicContact CD2-CG 3.66Å; F488-L531 HydrophobicContact CE1-CD1 3.98Å; F488-L531 HydrophobicContact CE1-CG 4.26Å; F488-L531 HydrophobicContact CE2-CG 4.14Å; F488-L531 HydrophobicContact CG-CD1 3.52Å; F488-L531 HydrophobicContact CG-CD2 3.81Å; F488-L531 HydrophobicContact CG-CG 3.47Å; F488-L531 VanDerWaalsContact CG-CG 3.47Å; F488-L531 HydrophobicContact CZ-CG 4.42Å
532	D	58.8	Low	81.5	Confident	43 Å²	43	38 Å²	38	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	8.4	-171.7	-172.1	36.6	0	0	0	113.6	H45 G46 R228 V530	H45-D532 WeakPolarHBondContact CA-OD2 3.21Å; H45-D532 HydrophobicContact CB-CB 4.34Å; H45-D532 VanDerWaalsContact CB-OD1 3.23Å; H45-D532 WeakPolarHBondContact CB-OD1 3.48Å; H45-D532 WeakPolarHBondContact CB-OD2 3.14Å; G46-D532 VanDerWaalsContact C-OD2 3.26Å; G46-D532 WeakPolarHBondContact CA-OD2 3.28Å; G46-D532 PolarHBondContact N-OD2 2.91Å; G46-D532 WeakPolarHBondContact O-CB 3.43Å; R228-D532 IonicContact CZ-OD1 3.4Å; R228-D532 IonicContact CZ-OD2 2.87Å; R228-D532 PolarHBondContact NH1-O 3.48Å; R228-D532 IonicContact NH1-OD1 3.96Å; R228-D532 PolarHBondContact NH1-OD1 3.03Å; R228-D532 IonicContact NH1-OD2 3.44Å; R228-D532 PolarHBondContact NH1-OD2 2.71Å; R228-D532 PolarHBondContact NH2-O 3.09Å; R228-D532 IonicContact NH2-OD1 2.66Å; R228-D532 IonicContact NH2-OD2 3.59Å; R228-D532 PolarHBondContact NH2-OD2 3.39Å; V530-D532 PolarHBondContact O-N 3.44Å
533	S	58.1	Low	81.8	Confident	26 Å²	26	34.9 Å²	34.9	18%	0.182	18%	0.18	C	C	.	.			trans	-95.2	131.9	165	-174.3	0	0	0	0	109.3	V530 Q535	V530-S533 PolarHBondContact O-N 2.89Å; S533-Q535 VanDerWaalsContact CB-O 3.23Å; S533-Q535 WeakPolarHBondContact CB-O 3.41Å; S533-Q535 PolarHBondContact O-N 3.03Å; S533-Q535 PolarHBondContact OG-N 2.96Å; S533-Q535 VanDerWaalsContact OG-N 3.13Å; S533-Q535 PolarHBondContact OG-O 3.39Å
534	Q	61.3	Low	82.2	Confident	203 Å²	203	33.5 Å²	33.5	95%	0.949	17%	0.174	S	C	*	.	S	Bend	trans	-70.3	-12.9	168.1	-67	-83.2	-37.1	0	0	111.6
535	Q	69.6	Low	82.5	Confident	60 Å²	60	33.6 Å²	33.6	28%	0.28	17%	0.174	S	C	.	.	S	Bend	trans	-118.1	143.6	-177.7	-54.8	-176.2	24	0	0	111.3	D258 S533	D258-Q535 PolarHBondContact O-NE2 3.16Å; S533-Q535 VanDerWaalsContact CB-O 3.23Å; S533-Q535 WeakPolarHBondContact CB-O 3.41Å; S533-Q535 PolarHBondContact O-N 3.03Å; S533-Q535 PolarHBondContact OG-N 2.96Å; S533-Q535 VanDerWaalsContact OG-N 3.13Å; S533-Q535 PolarHBondContact OG-O 3.39Å
536	N	79.1	Confident	82.8	Confident	90 Å²	90	34.5 Å²	34.5	48%	0.481	18%	0.178	S	C	.	.			trans	-63.9	140.6	168	-70.5	-15.9	0	0	0	110
537	L	87.7	Confident	83.4	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.026	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-107.9	175	177.5	-57	-170.1	0	0	0	112.1	F47 M262 P263 L528 V530 L542	F47-L537 HydrophobicContact CE2-CD1 3.35Å; F47-L537 HydrophobicContact CZ-CD1 3.72Å; M262-L537 HydrophobicContact CB-CD2 4.25Å; P263-L537 HydrophobicContact CG-CD2 4.06Å; L528-L537 HydrophobicContact CB-CB 4.35Å; L528-L537 WeakPolarHBondContact CB-O 3.34Å; L528-L537 HydrophobicContact CD2-CB 4.26Å; L528-L537 PolarHBondContact N-O 3.07Å; L528-L537 PolarHBondContact O-N 2.86Å; L528-L537 VanDerWaalsContact O-N 3.14Å; V530-L537 HydrophobicContact CG2-CB 4.36Å; V530-L537 HydrophobicContact CG2-CD1 3.69Å; V530-L537 HydrophobicContact CG2-CG 3.95Å; L537-L542 HydrophobicContact CB-CD1 4.18Å; L537-L542 HydrophobicContact CD1-CD1 4.13Å
538	D	92.8	Very high	84.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.			trans	-121.6	109.4	177.5	178.1	-19.2	0	0	0	109.8	R176 S179 M262 T525 A540 A541 L542	R176-D538 WeakPolarHBondContact CD-OD2 3.41Å; R176-D538 IonicContact CZ-OD2 3.9Å; R176-D538 IonicContact NE-OD2 2.87Å; R176-D538 PolarHBondContact NE-OD2 3.34Å; R176-D538 IonicContact NH1-OD2 3.83Å; R176-D538 PolarHBondContact NH1-OD2 2.8Å; S179-D538 WeakPolarHBondContact CB-OD2 3.29Å; S179-D538 VanDerWaalsContact OG-CG 3.23Å; S179-D538 PolarHBondContact OG-OD1 3.49Å; S179-D538 VanDerWaalsContact OG-OD1 3.07Å; S179-D538 PolarHBondContact OG-OD2 2.9Å; M262-D538 HydrophobicContact CE-CB 3.96Å; M262-D538 HydrophobicContact SD-CB 3.91Å; T525-D538 WeakPolarHBondContact O-CB 3.28Å; D538-A540 VanDerWaalsContact C-N 3.31Å; D538-A540 PolarHBondContact O-N 2.64Å; D538-A540 WeakPolarHBondContact OD1-CA 3.42Å; D538-A540 WeakPolarHBondContact OD1-CB 3.42Å; D538-A540 PolarHBondContact OD1-N 2.72Å; D538-A541 HydrophobicContact CB-CB 3.81Å; D538-A541 PolarHBondContact O-N 2.58Å; D538-A541 PolarHBondContact OD1-N 3.18Å; D538-L542 WeakPolarHBondContact O-CB 3.49Å; D538-L542 VanDerWaalsContact O-CG 3.26Å; D538-L542 WeakPolarHBondContact O-CG 3.13Å; D538-L542 PolarHBondContact O-N 2.66Å
539	L	95	Very high	84.8	Confident	22 Å²	22	30.9 Å²	30.9	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-37	-178.3	-173.8	57.7	0	0	0	112.8	H458 I461 L520 V524 L528 L542 N543	H458-L539 HydrophobicContact CB-CD2 4.14Å; I461-L539 HydrophobicContact CD1-CD2 4.02Å; L520-L539 HydrophobicContact CD2-CB 4.47Å; L520-L539 HydrophobicContact CD2-CD2 4.47Å; L520-L539 HydrophobicContact CD2-CG 4.48Å; V524-L539 HydrophobicContact CB-CB 4.09Å; V524-L539 HydrophobicContact CB-CD2 4.12Å; V524-L539 HydrophobicContact CG2-CD2 4.35Å; V524-L539 VanDerWaalsContact O-CB 3.29Å; V524-L539 WeakPolarHBondContact O-CB 3.37Å; V524-L539 PolarHBondContact O-N 2.83Å; L528-L539 HydrophobicContact CD2-CB 4.05Å; L528-L539 HydrophobicContact CD2-CD1 4.31Å; L539-L542 PolarHBondContact O-N 3.14Å; L539-N543 VanDerWaalsContact O-CG 3.26Å; L539-N543 PolarHBondContact O-N 2.78Å; L539-N543 PolarHBondContact O-ND2 2.81Å
540	A	96.9	Very high	85.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.4	-45.5	178.2	0	0	0	0	0	110.6	V183 L520 T525 D538 L542 N543 L544 W599	V183-A540 HydrophobicContact CB-CB 4.25Å; V183-A540 HydrophobicContact CG1-CB 3.75Å; L520-A540 HydrophobicContact CD2-CB 4.07Å; T525-A540 HydrophobicContact CG2-CB 4.32Å; D538-A540 VanDerWaalsContact C-N 3.31Å; D538-A540 PolarHBondContact O-N 2.64Å; D538-A540 WeakPolarHBondContact OD1-CA 3.42Å; D538-A540 WeakPolarHBondContact OD1-CB 3.42Å; D538-A540 PolarHBondContact OD1-N 2.72Å; A540-L542 VanDerWaalsContact C-N 3.31Å; A540-L542 PolarHBondContact O-N 2.67Å; A540-N543 PolarHBondContact O-N 2.79Å; A540-L544 WeakPolarHBondContact O-CG 3.46Å; A540-L544 PolarHBondContact O-N 3.13Å; A540-W599 HydrophobicContact CB-CH2 3.87Å; A540-W599 HydrophobicContact CB-CZ3 4.17Å
541	A	96.8	Very high	87.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-38.7	176.7	0	0	0	0	0	111.7	P175 I240 M262 D538 Q545	P175-A541 HydrophobicContact CB-CB 3.99Å; I240-A541 HydrophobicContact CD1-CB 4.05Å; I240-A541 HydrophobicContact CG2-CB 4.2Å; M262-A541 HydrophobicContact CE-CB 3.85Å; D538-A541 HydrophobicContact CB-CB 3.81Å; D538-A541 PolarHBondContact O-N 2.58Å; D538-A541 PolarHBondContact OD1-N 3.18Å; A541-Q545 VanDerWaalsContact O-CB 3.27Å; A541-Q545 WeakPolarHBondContact O-CB 3.45Å; A541-Q545 PolarHBondContact O-N 3.42Å
542	L	96.6	Very high	89.2	Confident	21 Å²	21	24.9 Å²	24.9	11%	0.11	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-42.9	173.2	-71.7	173.1	0	0	0	111.9	F47 I240 F264 L528 L537 D538 L539 A540 R546	F47-L542 HydrophobicContact CZ-CD1 4.41Å; I240-L542 HydrophobicContact CD1-CD2 3.9Å; I240-L542 HydrophobicContact CD1-CG 4.38Å; F264-L542 HydrophobicContact CD2-CD2 3.74Å; F264-L542 HydrophobicContact CE2-CD2 4.36Å; L528-L542 HydrophobicContact CD2-CD1 3.94Å; L537-L542 HydrophobicContact CB-CD1 4.18Å; L537-L542 HydrophobicContact CD1-CD1 4.13Å; D538-L542 WeakPolarHBondContact O-CB 3.49Å; D538-L542 VanDerWaalsContact O-CG 3.26Å; D538-L542 WeakPolarHBondContact O-CG 3.13Å; D538-L542 PolarHBondContact O-N 2.66Å; L539-L542 PolarHBondContact O-N 3.14Å; A540-L542 VanDerWaalsContact C-N 3.31Å; A540-L542 PolarHBondContact O-N 2.67Å; L542-R546 WeakPolarHBondContact O-CB 3.32Å; L542-R546 PolarHBondContact O-N 3.27Å
543	N	98.3	Very high	91.1	Very high	2 Å²	2	23 Å²	23	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-45.4	178.9	-70.7	-38.3	0	0	0	112.3	R455 H458 L539 A540 R546 G547 W599	R455-N543 WeakPolarHBondContact CD-OD1 3.28Å; R455-N543 PolarHBondContact NH1-OD1 3.35Å; H458-N543 PolarHBondContact ND1-ND2 3Å; L539-N543 VanDerWaalsContact O-CG 3.26Å; L539-N543 PolarHBondContact O-N 2.78Å; L539-N543 PolarHBondContact O-ND2 2.81Å; A540-N543 PolarHBondContact O-N 2.79Å; N543-R546 PolarHBondContact O-N 2.89Å; N543-G547 PolarHBondContact O-N 3.33Å; N543-W599 HydrophobicContact CB-CD2 3.76Å; N543-W599 HydrophobicContact CB-CE3 3.98Å; N543-W599 HydrophobicContact CB-CG 4.26Å; N543-W599 HydrophobicContact CB-CH2 4.29Å; N543-W599 HydrophobicContact CB-CZ2 4.08Å; N543-W599 HydrophobicContact CB-CZ3 4.24Å; N543-W599 WeakPolarHBondContact ND2-CZ2 3.14Å
544	L	98.6	Very high	92.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-48.3	176.4	-68.8	170.4	0	0	0	111.2	P175 V178 A540 R546 G547 R548 D597 W599 L600	P175-L544 HydrophobicContact CB-CB 3.91Å; P175-L544 HydrophobicContact CB-CD1 4.28Å; P175-L544 HydrophobicContact CG-CB 4.42Å; V178-L544 HydrophobicContact CB-CD1 3.73Å; V178-L544 HydrophobicContact CG1-CD1 3.68Å; A540-L544 WeakPolarHBondContact O-CG 3.46Å; A540-L544 PolarHBondContact O-N 3.13Å; L544-R546 VanDerWaalsContact C-N 3.32Å; L544-R546 PolarHBondContact O-N 2.75Å; L544-G547 PolarHBondContact O-N 3.46Å; L544-R548 PolarHBondContact O-N 3.39Å; L544-D597 HydrophobicContact CD2-CB 3.64Å; L544-W599 HydrophobicContact CD2-CE3 3.87Å; L544-W599 HydrophobicContact CD2-CZ3 4.34Å; L544-W599 HydrophobicContact CG-CE3 4.02Å; L544-W599 HydrophobicContact CG-CZ3 4.13Å; L544-L600 HydrophobicContact CD2-CB 4.09Å
545	Q	97.9	Very high	94.7	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-63	-38.5	177.4	-167	75	-17	0	0	111.8	P175 F238 P239 I240 F264 A541 R548 D549	P175-Q545 HydrophobicContact CG-CB 4.26Å; F238-Q545 HydrophobicContact CD1-CG 3.89Å; F238-Q545 VanDerWaalsContact CD1-NE2 3.3Å; F238-Q545 HydrophobicContact CE1-CG 3.89Å; F238-Q545 VanDerWaalsContact CE2-NE2 3.32Å; F238-Q545 PolarHBondContact O-NE2 2.7Å; P239-Q545 PolarHBondContact O-NE2 3.28Å; I240-Q545 HydrophobicContact CD1-CB 4.01Å; I240-Q545 HydrophobicContact CD1-CG 4.33Å; I240-Q545 HydrophobicContact CG1-CB 3.84Å; I240-Q545 HydrophobicContact CG1-CG 3.7Å; F264-Q545 HydrophobicContact CD1-CG 3.99Å; F264-Q545 HydrophobicContact CD2-CB 4.01Å; F264-Q545 HydrophobicContact CD2-CG 3.72Å; F264-Q545 HydrophobicContact CE1-CG 3.99Å; F264-Q545 HydrophobicContact CE2-CB 3.77Å; F264-Q545 HydrophobicContact CE2-CG 3.71Å; F264-Q545 HydrophobicContact CG-CG 3.86Å; F264-Q545 HydrophobicContact CZ-CB 4.21Å; F264-Q545 HydrophobicContact CZ-CG 3.85Å; A541-Q545 VanDerWaalsContact O-CB 3.27Å; A541-Q545 WeakPolarHBondContact O-CB 3.45Å; A541-Q545 PolarHBondContact O-N 3.42Å; Q545-R548 PolarHBondContact O-N 2.8Å; Q545-D549 WeakPolarHBondContact O-CB 3.4Å; Q545-D549 PolarHBondContact O-N 3.41Å
546	R	98.2	Very high	96.1	Very high	19 Å²	19	9.4 Å²	9.4	7%	0.072	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-38.5	177.2	-170.4	68.6	61.1	-162.8	2.7	112.5	F264 Q265 S267 T451 L542 N543 L544 R548 D549 H550	F264-R546 HydrophobicContact CE2-CB 4.29Å; F264-R546 HydrophobicContact CZ-CB 4.27Å; F264-R546 VanDerWaalsContact CZ-NH1 3.31Å; Q265-R546 PolarHBondContact O-NH1 3.15Å; Q265-R546 PolarHBondContact O-NH2 3.19Å; S267-R546 VanDerWaalsContact N-NH1 3.1Å; S267-R546 VanDerWaalsContact OG-CD 3.3Å; S267-R546 WeakPolarHBondContact OG-CD 3.28Å; S267-R546 PolarHBondContact OG-NH1 3.02Å; T451-R546 HydrophobicContact CG2-CB 4.46Å; T451-R546 HydrophobicContact CG2-CG 3.87Å; L542-R546 WeakPolarHBondContact O-CB 3.32Å; L542-R546 PolarHBondContact O-N 3.27Å; N543-R546 PolarHBondContact O-N 2.89Å; L544-R546 VanDerWaalsContact C-N 3.32Å; L544-R546 PolarHBondContact O-N 2.75Å; R546-R548 VanDerWaalsContact C-N 3.27Å; R546-R548 PolarHBondContact O-N 2.85Å; R546-D549 IonicContact CZ-OD2 3.92Å; R546-D549 IonicContact NH1-OD2 3.82Å; R546-D549 PolarHBondContact NH1-OD2 3.12Å; R546-D549 PolarHBondContact O-N 2.8Å; R546-H550 WeakPolarHBondContact CD-NE2 3.39Å; R546-H550 WeakPolarHBondContact O-CB 3.49Å; R546-H550 PolarHBondContact O-CD2 2.94Å; R546-H550 VanDerWaalsContact O-CD2 3.22Å; R546-H550 PolarHBondContact O-N 3.38Å
547	G	98.4	Very high	97	Very high	10 Å²	10	7 Å²	7	10%	0.103	4%	0.038	C	C	.	.	H	α-helix	trans	-58.7	-40.7	173.4	0	0	0	0	0	112.2	N543 L544 G551 L552	N543-G547 PolarHBondContact O-N 3.33Å; L544-G547 PolarHBondContact O-N 3.46Å; G547-G551 PolarHBondContact O-N 2.97Å; G547-L552 WeakPolarHBondContact O-CB 3.33Å; G547-L552 PolarHBondContact O-N 3.23Å
548	R	98.1	Very high	97.6	Very high	8 Å²	8	7.1 Å²	7.1	3%	0.03	4%	0.038	C	C	.	.	H	α-helix	trans	-70.8	-42.6	175.1	-62.3	174.2	-169.3	-177.7	3	112.7	P158 R159 P173 F238 L544 Q545 R546 H550 G551 D597	P158-R548 WeakPolarHBondContact CB-O 3.12Å; R159-R548 HydrophobicContact CB-CB 4.26Å; R159-R548 HydrophobicContact CB-CG 4.24Å; R159-R548 WeakPolarHBondContact O-CB 3.31Å; R159-R548 WeakPolarHBondContact O-CD 3.36Å; P173-R548 PolarHBondContact O-NH1 2.86Å; P173-R548 PolarHBondContact O-NH2 2.9Å; F238-R548 HydrophobicContact CE1-CB 4.33Å; L544-R548 PolarHBondContact O-N 3.39Å; Q545-R548 PolarHBondContact O-N 2.8Å; R546-R548 VanDerWaalsContact C-N 3.27Å; R546-R548 PolarHBondContact O-N 2.85Å; R548-H550 PolarHBondContact O-N 3.25Å; R548-G551 PolarHBondContact O-N 3.49Å; R548-D597 WeakPolarHBondContact CG-OD1 3.5Å; R548-D597 IonicContact CZ-OD1 2.77Å; R548-D597 IonicContact CZ-OD2 3.66Å; R548-D597 IonicContact NE-OD1 3.4Å; R548-D597 PolarHBondContact NE-OD1 3.49Å; R548-D597 VanDerWaalsContact NE-OD1 3.1Å; R548-D597 IonicContact NE-OD2 3.65Å; R548-D597 PolarHBondContact NE-OD2 3.04Å; R548-D597 IonicContact NH2-OD1 2.78Å; R548-D597 IonicContact NH2-OD2 3.86Å; R548-D597 PolarHBondContact NH2-OD2 3.32Å
549	D	98	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.9	-36.5	173.9	173	39.8	0	0	0	112.3	Y151 F238 F264 R266 S267 Q283 Q545 R546 G551	Y151-D549 WeakPolarHBondContact CE1-O 3.37Å; F238-D549 HydrophobicContact CD1-CB 4.41Å; F264-D549 HydrophobicContact CE1-CB 4.05Å; F264-D549 HydrophobicContact CZ-CB 4.01Å; R266-D549 WeakPolarHBondContact CA-OD2 3.38Å; R266-D549 WeakPolarHBondContact CB-OD1 3.5Å; R266-D549 WeakPolarHBondContact CG-OD1 3.36Å; R266-D549 IonicContact CZ-OD1 3.16Å; R266-D549 IonicContact NE-OD1 3.28Å; R266-D549 PolarHBondContact NE-OD1 3.12Å; R266-D549 IonicContact NH2-OD1 3.9Å; R266-D549 PolarHBondContact NH2-OD1 2.72Å; S267-D549 PolarHBondContact N-OD2 2.88Å; S267-D549 PolarHBondContact OG-OD2 3.24Å; Q283-D549 PolarHBondContact NE2-O 2.97Å; Q545-D549 WeakPolarHBondContact O-CB 3.4Å; Q545-D549 PolarHBondContact O-N 3.41Å; R546-D549 IonicContact CZ-OD2 3.92Å; R546-D549 IonicContact NH1-OD2 3.82Å; R546-D549 PolarHBondContact NH1-OD2 3.12Å; R546-D549 PolarHBondContact O-N 2.8Å; D549-G551 VanDerWaalsContact C-N 3.27Å; D549-G551 PolarHBondContact O-N 3.41Å
550	H	97.7	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1	177.7	-75.7	-141.6	0	0	0	113.4	R145 S267 N447 T451 R546 R548 L552	R145-H550 PolarHBondContact NH1-O 3.33Å; R145-H550 PolarHBondContact NH2-O 2.9Å; S267-H550 WeakPolarHBondContact CB-NE2 3.46Å; S267-H550 PolarHBondContact OG-NE2 3.34Å; N447-H550 WeakPolarHBondContact OD1-CB 3.39Å; N447-H550 PolarHBondContact OD1-ND1 3.18Å; T451-H550 HydrophobicContact CG2-CB 4.14Å; T451-H550 PolarHBondContact OG1-CE1 3.39Å; T451-H550 VanDerWaalsContact OG1-CE1 3.27Å; T451-H550 PolarHBondContact OG1-ND1 2.92Å; R546-H550 WeakPolarHBondContact CD-NE2 3.39Å; R546-H550 WeakPolarHBondContact O-CB 3.49Å; R546-H550 PolarHBondContact O-CD2 2.94Å; R546-H550 VanDerWaalsContact O-CD2 3.22Å; R546-H550 PolarHBondContact O-N 3.38Å; R548-H550 PolarHBondContact O-N 3.25Å; H550-L552 VanDerWaalsContact C-N 3.28Å; H550-L552 HydrophobicContact CB-CG 4.26Å; H550-L552 PolarHBondContact O-N 2.85Å
551	G	97.3	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	41.2	-178.1	0	0	0	0	0	112.3	R145 A149 E150 G547 R548 D549	R145-G551 PolarHBondContact NH1-O 2.98Å; A149-G551 WeakPolarHBondContact CA-O 3.47Å; E150-G551 PolarHBondContact N-O 3.11Å; E150-G551 WeakPolarHBondContact O-CA 3.41Å; G547-G551 PolarHBondContact O-N 2.97Å; R548-G551 PolarHBondContact O-N 3.49Å; D549-G551 VanDerWaalsContact C-N 3.27Å; D549-G551 PolarHBondContact O-N 3.41Å
552	L	98.3	Very high	98.2	Very high	6 Å²	6	12.5 Å²	12.5	3%	0.031	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-71.2	134.5	175	-65.5	-175.9	0	0	0	110.3	N447 V448 T451 A452 G547 H550 V598	N447-L552 HydrophobicContact CB-CD2 4.41Å; V448-L552 HydrophobicContact CB-CD2 4.4Å; T451-L552 HydrophobicContact CG2-CD1 3.94Å; A452-L552 HydrophobicContact CB-CD1 4.04Å; G547-L552 WeakPolarHBondContact O-CB 3.33Å; G547-L552 PolarHBondContact O-N 3.23Å; H550-L552 VanDerWaalsContact C-N 3.28Å; H550-L552 HydrophobicContact CB-CG 4.26Å; H550-L552 PolarHBondContact O-N 2.85Å; L552-V598 HydrophobicContact CB-CG1 4.16Å; L552-V598 HydrophobicContact CD1-CG1 3.68Å
553	P	98.1	Very high	98.3	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.026	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-57.9	159.9	170.1	-27.5	35.7	0	0	0	113.7	L147 P148 E150 D557 W558	L147-P553 HydrophobicContact CB-CG 3.94Å; L147-P553 HydrophobicContact CD1-CB 4.36Å; L147-P553 HydrophobicContact CD1-CG 4.22Å; P148-P553 WeakPolarHBondContact O-CG 3.33Å; E150-P553 HydrophobicContact CG-CB 4.41Å; E150-P553 HydrophobicContact CG-CG 4.24Å; E150-P553 WeakPolarHBondContact OE2-CA 3.4Å; P553-D557 HydrophobicContact CB-CB 4Å; P553-W558 HydrophobicContact CG-CZ2 4.36Å; P553-W558 PolarHBondContact O-NE1 2.79Å
554	G	97.3	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-61.2	159.7	177	0	0	0	0	0	113.8	N556 D557 W558 D594	G554-N556 VanDerWaalsContact C-N 3.27Å; G554-N556 PolarHBondContact O-N 3.39Å; G554-D557 PolarHBondContact O-N 3.37Å; G554-D557 VanDerWaalsContact O-N 3.11Å; G554-W558 PolarHBondContact O-N 3.29Å; G554-D594 WeakPolarHBondContact CA-O 3.36Å
555	Y	98.7	Very high	98.3	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-49.4	-43.6	-178.9	170.4	-126.9	0	0	0	113.9	D557 W558 R559 I567 I596 G601 E605 L616	Y555-D557 VanDerWaalsContact C-N 3.34Å; Y555-D557 PolarHBondContact O-N 3.04Å; Y555-W558 PolarHBondContact O-N 3.42Å; Y555-R559 HydrophobicContact CD2-CG 4.2Å; Y555-R559 HydrophobicContact CE1-CG 4.4Å; Y555-R559 HydrophobicContact CE2-CG 3.82Å; Y555-R559 VanDerWaalsContact CZ-CD 3.42Å; Y555-R559 PolarHBondContact O-N 3.44Å; Y555-R559 PolarHBondContact OH-NH1 3.01Å; Y555-R559 VanDerWaalsContact OH-NH1 3.08Å; Y555-I567 HydrophobicContact CE1-CG1 3.88Å; Y555-I596 VanDerWaalsContact CB-O 3.28Å; Y555-I596 WeakPolarHBondContact CB-O 3.39Å; Y555-I596 HydrophobicContact CD1-CB 4.4Å; Y555-I596 HydrophobicContact CD1-CD1 4.34Å; Y555-I596 HydrophobicContact CD1-CG2 4.39Å; Y555-I596 HydrophobicContact CG-CB 4.48Å; Y555-I596 HydrophobicContact CG-CG2 4.32Å; Y555-I596 PolarHBondContact N-O 3.41Å; Y555-G601 WeakPolarHBondContact CE2-O 3.38Å; Y555-E605 HydrophobicContact CE2-CG 4.46Å; Y555-E605 VanDerWaalsContact CE2-OE1 3.31Å; Y555-E605 WeakPolarHBondContact CE2-OE1 3.39Å; Y555-E605 WeakPolarHBondContact OH-CG 3.47Å; Y555-E605 PolarHBondContact OH-OE1 2.7Å; Y555-L616 HydrophobicContact CD2-CD2 3.58Å; Y555-L616 HydrophobicContact CE2-CD2 3.51Å
556	N	98.6	Very high	98.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-27.3	-176.8	-95.1	-18.8	0	0	0	114.1	G554 R559 G560 R566 I567 D594	G554-N556 VanDerWaalsContact C-N 3.27Å; G554-N556 PolarHBondContact O-N 3.39Å; N556-R559 PolarHBondContact O-N 3.13Å; N556-G560 PolarHBondContact O-N 2.85Å; N556-R566 HydrophobicContact CB-CG 4.46Å; N556-R566 PolarHBondContact O-NH1 2.95Å; N556-R566 VanDerWaalsContact O-NH1 3.12Å; N556-I567 PolarHBondContact ND2-O 3.4Å; N556-I567 PolarHBondContact OD1-N 2.99Å; N556-D594 WeakPolarHBondContact CB-OD1 3.47Å; N556-D594 PolarHBondContact ND2-OD1 3.25Å
557	D	98.7	Very high	98.3	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.219	15%	0.153	C	C	.	.	H	α-helix	trans	-72.2	-37.8	176.9	-57.9	-38.5	0	0	0	110.6	L147 P553 G554 Y555 G560 F561 R566	L147-D557 HydrophobicContact CD1-CB 4.18Å; P553-D557 HydrophobicContact CB-CB 4Å; G554-D557 PolarHBondContact O-N 3.37Å; G554-D557 VanDerWaalsContact O-N 3.11Å; Y555-D557 VanDerWaalsContact C-N 3.34Å; Y555-D557 PolarHBondContact O-N 3.04Å; D557-G560 PolarHBondContact O-N 2.56Å; D557-F561 PolarHBondContact O-N 3.31Å; D557-R566 IonicContact OD1-CZ 3.14Å; D557-R566 IonicContact OD1-NH1 2.76Å; D557-R566 PolarHBondContact OD1-NH1 3.16Å; D557-R566 IonicContact OD1-NH2 3.59Å; D557-R566 PolarHBondContact OD1-NH2 3.33Å
558	W	98.8	Very high	98.2	Very high	6 Å²	6	30.1 Å²	30.1	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-35.4	171.3	-67.9	107.8	0	0	0	113	W146 L147 V448 P553 G554 Y555 G560 F561 C562 V598 L616 L620	W146-W558 HydrophobicContact CB-CH2 4.15Å; W146-W558 HydrophobicContact CB-CZ3 4.07Å; W146-W558 HydrophobicContact CE3-CZ3 4.3Å; L147-W558 HydrophobicContact CB-CH2 3.97Å; L147-W558 HydrophobicContact CB-CZ2 4.18Å; L147-W558 HydrophobicContact CB-CZ3 4.45Å; L147-W558 HydrophobicContact CD1-CD2 3.78Å; L147-W558 HydrophobicContact CD1-CE3 3.72Å; L147-W558 HydrophobicContact CD1-CG 4.42Å; L147-W558 HydrophobicContact CD1-CH2 3.96Å; L147-W558 HydrophobicContact CD1-CZ2 4.01Å; L147-W558 HydrophobicContact CD1-CZ3 3.81Å; L147-W558 HydrophobicContact CG-CE3 4.27Å; L147-W558 HydrophobicContact CG-CH2 3.88Å; L147-W558 HydrophobicContact CG-CZ2 4.31Å; L147-W558 HydrophobicContact CG-CZ3 3.85Å; V448-W558 HydrophobicContact CB-CH2 3.54Å; V448-W558 HydrophobicContact CB-CZ2 3.54Å; V448-W558 HydrophobicContact CB-CZ3 4.06Å; V448-W558 HydrophobicContact CG1-CE3 4.34Å; V448-W558 HydrophobicContact CG1-CH2 3.55Å; V448-W558 HydrophobicContact CG1-CZ2 4.1Å; V448-W558 HydrophobicContact CG1-CZ3 3.7Å; V448-W558 HydrophobicContact CG2-CD2 3.83Å; V448-W558 HydrophobicContact CG2-CE3 4.11Å; V448-W558 HydrophobicContact CG2-CG 4.5Å; V448-W558 HydrophobicContact CG2-CH2 3.93Å; V448-W558 HydrophobicContact CG2-CZ2 3.63Å; V448-W558 HydrophobicContact CG2-CZ3 4.17Å; P553-W558 HydrophobicContact CG-CZ2 4.36Å; P553-W558 PolarHBondContact O-NE1 2.79Å; G554-W558 PolarHBondContact O-N 3.29Å; Y555-W558 PolarHBondContact O-N 3.42Å; W558-G560 VanDerWaalsContact C-N 3.34Å; W558-F561 HydrophobicContact CE3-CB 4.3Å; W558-F561 HydrophobicContact CE3-CD1 4.14Å; W558-F561 HydrophobicContact CE3-CG 4.24Å; W558-F561 HydrophobicContact CZ3-CD1 4.28Å; W558-F561 HydrophobicContact CZ3-CG 4.35Å; W558-F561 PolarHBondContact O-N 2.85Å; W558-C562 PolarHBondContact O-N 2.93Å; W558-C562 VanDerWaalsContact O-N 3.07Å; W558-V598 HydrophobicContact CB-CG2 3.98Å; W558-V598 VanDerWaalsContact CD1-CG2 3.42Å; W558-V598 HydrophobicContact CG-CB 4.4Å; W558-V598 HydrophobicContact CG-CG2 3.72Å; W558-L616 HydrophobicContact CB-CD1 3.95Å; W558-L616 HydrophobicContact CB-CD2 4.24Å; W558-L616 WeakPolarHBondContact O-CD1 3.34Å; W558-L620 HydrophobicContact CE3-CD2 3.82Å; W558-L620 HydrophobicContact CZ3-CD2 4.21Å
559	R	98.8	Very high	98.2	Very high	15 Å²	15	33 Å²	33	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-46.4	168.3	-73.3	-167.6	69.3	96.7	-9	111.2	Y555 N556 C562 G563 L564 K565 E605 L616	Y555-R559 HydrophobicContact CD2-CG 4.2Å; Y555-R559 HydrophobicContact CE1-CG 4.4Å; Y555-R559 HydrophobicContact CE2-CG 3.82Å; Y555-R559 VanDerWaalsContact CZ-CD 3.42Å; Y555-R559 PolarHBondContact O-N 3.44Å; Y555-R559 PolarHBondContact OH-NH1 3.01Å; Y555-R559 VanDerWaalsContact OH-NH1 3.08Å; N556-R559 PolarHBondContact O-N 3.13Å; R559-C562 CarbonylContact O-C 3.55Å; R559-C562 PolarHBondContact O-N 2.91Å; R559-G563 PolarHBondContact O-N 2.85Å; R559-L564 HydrophobicContact CB-CB 4.01Å; R559-L564 HydrophobicContact CG-CB 4.39Å; R559-L564 HydrophobicContact CG-CD1 4.42Å; R559-L564 WeakPolarHBondContact O-CB 3.08Å; R559-L564 PolarHBondContact O-N 3.38Å; R559-K565 PolarHBondContact NE-O 2.97Å; R559-K565 PolarHBondContact NH2-O 3.21Å; R559-K565 VanDerWaalsContact NH2-O 3.1Å; R559-E605 IonicContact CZ-OE1 2.86Å; R559-E605 IonicContact NH1-OE1 2.78Å; R559-E605 PolarHBondContact NH1-OE1 3.38Å; R559-L616 HydrophobicContact CG-CD2 4.47Å
560	G	98.7	Very high	98.2	Very high	39 Å²	39	34.8 Å²	34.8	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-46.3	175.3	0	0	0	0	0	112.9	N556 D557 W558 C562 G563	N556-G560 PolarHBondContact O-N 2.85Å; D557-G560 PolarHBondContact O-N 2.56Å; W558-G560 VanDerWaalsContact C-N 3.34Å; G560-C562 PolarHBondContact O-N 3.38Å; G560-G563 PolarHBondContact O-N 3.28Å
561	F	98.8	Very high	98.2	Very high	67 Å²	67	39.5 Å²	39.5	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-55.8	-38	175	174.3	-94.4	0	0	0	112.6	W146 L147 D557 W558 G563 L620 K623	W146-F561 HydrophobicContact CB-CE2 3.93Å; W146-F561 HydrophobicContact CB-CZ 3.96Å; W146-F561 HydrophobicContact CD2-CE1 4.48Å; W146-F561 HydrophobicContact CD2-CZ 4.01Å; W146-F561 AromaticContact CE3-CE1 3.63Å; W146-F561 HydrophobicContact CE3-CE1 3.63Å; W146-F561 AromaticContact CE3-CZ 3.61Å; W146-F561 HydrophobicContact CE3-CZ 3.61Å; W146-F561 HydrophobicContact CG-CZ 4.2Å; W146-F561 HydrophobicContact CZ3-CE1 4.14Å; W146-F561 HydrophobicContact CZ3-CZ 4.41Å; L147-F561 HydrophobicContact CD1-CB 4.31Å; L147-F561 HydrophobicContact CD2-CD2 4.11Å; L147-F561 HydrophobicContact CG-CD2 4.37Å; D557-F561 PolarHBondContact O-N 3.31Å; W558-F561 HydrophobicContact CE3-CB 4.3Å; W558-F561 HydrophobicContact CE3-CD1 4.14Å; W558-F561 HydrophobicContact CE3-CG 4.24Å; W558-F561 HydrophobicContact CZ3-CD1 4.28Å; W558-F561 HydrophobicContact CZ3-CG 4.35Å; W558-F561 PolarHBondContact O-N 2.85Å; F561-G563 VanDerWaalsContact C-N 3.3Å; F561-G563 PolarHBondContact O-N 2.79Å; F561-L620 HydrophobicContact CD1-CD2 3.94Å; F561-L620 HydrophobicContact CE1-CD2 3.97Å; F561-K623 HydrophobicContact CE1-CD 3.69Å; F561-K623 HydrophobicContact CZ-CD 4.16Å
562	C	98.8	Very high	98.3	Very high	14 Å²	14	40.5 Å²	40.5	10%	0.095	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.6	177.1	-76.3	0	0	0	0	114.4	W558 R559 G560 L564 L616 C619	W558-C562 PolarHBondContact O-N 2.93Å; W558-C562 VanDerWaalsContact O-N 3.07Å; R559-C562 CarbonylContact O-C 3.55Å; R559-C562 PolarHBondContact O-N 2.91Å; G560-C562 PolarHBondContact O-N 3.38Å; C562-L564 HydrophobicContact CB-CD1 4.08Å; C562-L564 HydrophobicContact CB-CG 4Å; C562-L564 PolarHBondContact O-N 3.45Å; C562-L616 HydrophobicContact CB-CD1 4.23Å; C562-C619 VanDerWaalsContact CA-SG 3.57Å; C562-C619 HydrophobicContact CB-CB 3.72Å; C562-C619 WeakPolarHBondContact CB-SG 3.48Å; C562-C619 WeakPolarHBondContact SG-CB 3.38Å; C562-C619 CovalentContact SG-SG 2.04Å; C562-C619 PolarHBondContact SG-SG 2.73Å
563	G	98.4	Very high	98.3	Very high	68 Å²	68	40.3 Å²	40.3	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	20.9	-177.4	0	0	0	0	0	113.8	R559 G560 F561	R559-G563 PolarHBondContact O-N 2.85Å; G560-G563 PolarHBondContact O-N 3.28Å; F561-G563 VanDerWaalsContact C-N 3.3Å; F561-G563 PolarHBondContact O-N 2.79Å
564	L	98.4	Very high	98.3	Very high	44 Å²	44	40.8 Å²	40.8	23%	0.23	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-88	147.6	176.7	-57.1	174.2	0	0	0	110.1	R559 C562 R566 P615 L616	R559-L564 HydrophobicContact CB-CB 4.01Å; R559-L564 HydrophobicContact CG-CB 4.39Å; R559-L564 HydrophobicContact CG-CD1 4.42Å; R559-L564 WeakPolarHBondContact O-CB 3.08Å; R559-L564 PolarHBondContact O-N 3.38Å; C562-L564 HydrophobicContact CB-CD1 4.08Å; C562-L564 HydrophobicContact CB-CG 4Å; C562-L564 PolarHBondContact O-N 3.45Å; L564-R566 PolarHBondContact O-N 2.91Å; L564-P615 HydrophobicContact CD1-CB 3.92Å; L564-P615 HydrophobicContact CD2-CB 3.96Å; L564-L616 HydrophobicContact CD1-CB 4.05Å; L564-L616 HydrophobicContact CD1-CD1 4.41Å
565	K	98	Very high	98.3	Very high	131 Å²	131	46 Å²	46	57%	0.57	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-58.4	126.1	175.6	-176.3	-173	167.1	-162.6	0	109.9	R559 D572	R559-K565 PolarHBondContact NE-O 2.97Å; R559-K565 PolarHBondContact NH2-O 3.21Å; R559-K565 VanDerWaalsContact NH2-O 3.1Å; K565-D572 IonicContact NZ-OD1 3.17Å; K565-D572 PolarHBondContact NZ-OD1 3.48Å
566	R	98.1	Very high	98.2	Very high	101 Å²	101	47.3 Å²	47.3	38%	0.381	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-64.2	145.5	171.7	-65.6	-177.3	73.8	98.4	-7.5	110.5	N556 D557 L564 D594	N556-R566 HydrophobicContact CB-CG 4.46Å; N556-R566 PolarHBondContact O-NH1 2.95Å; N556-R566 VanDerWaalsContact O-NH1 3.12Å; D557-R566 IonicContact OD1-CZ 3.14Å; D557-R566 IonicContact OD1-NH1 2.76Å; D557-R566 PolarHBondContact OD1-NH1 3.16Å; D557-R566 IonicContact OD1-NH2 3.59Å; D557-R566 PolarHBondContact OD1-NH2 3.33Å; L564-R566 PolarHBondContact O-N 2.91Å; R566-D594 IonicContact CZ-OD1 3.37Å; R566-D594 IonicContact NH2-OD1 3.35Å; R566-D594 PolarHBondContact NH2-OD1 3.34Å; R566-D594 IonicContact NH2-OD2 2.76Å
567	I	98.2	Very high	98.1	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-85.5	119.9	176.5	-54.3	-51.1	0	0	0	108.9	Y555 N556 D572 L573 V576 P593	Y555-I567 HydrophobicContact CE1-CG1 3.88Å; N556-I567 PolarHBondContact ND2-O 3.4Å; N556-I567 PolarHBondContact OD1-N 2.99Å; I567-D572 HydrophobicContact CB-CB 4.5Å; I567-D572 HydrophobicContact CD1-CB 4.09Å; I567-D572 HydrophobicContact CG2-CB 3.95Å; I567-L573 HydrophobicContact CG2-CB 3.74Å; I567-L573 HydrophobicContact CG2-CD1 4.32Å; I567-V576 HydrophobicContact CD1-CB 4.45Å; I567-V576 HydrophobicContact CD1-CG2 3.74Å; I567-P593 HydrophobicContact CB-CB 4.1Å; I567-P593 HydrophobicContact CG2-CB 3.92Å; I567-P593 HydrophobicContact CG2-CG 4.17Å; I567-P593 WeakPolarHBondContact O-CB 3.05Å
568	A	96.9	Very high	98	Very high	78 Å²	78	53.5 Å²	53.5	65%	0.645	29%	0.293	S	S	*	.			trans	-108.1	-31.3	176.8	0	0	0	0	0	112.1	D572	A568-D572 PolarHBondContact N-OD2 2.87Å; A568-D572 VanDerWaalsContact N-OD2 3.15Å
569	T	97.6	Very high	97.9	Very high	69 Å²	69	54.7 Å²	54.7	42%	0.423	30%	0.3	S	S	.	.	S	Bend	trans	-127	166.5	-172.5	65.1	0	0	0	0	112.4	D571 D572 L573	T569-D571 PolarHBondContact O-N 2.94Å; T569-D572 PolarHBondContact N-OD2 2.87Å; T569-D572 PolarHBondContact O-N 3.22Å; T569-D572 PolarHBondContact OG1-N 2.85Å; T569-D572 PolarHBondContact OG1-OD2 2.99Å; T569-L573 PolarHBondContact O-N 2.88Å; T569-L573 VanDerWaalsContact O-N 3.12Å
570	L	98	Very high	97.8	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.199	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-37.9	170.5	176.3	60.1	0	0	0	111.9	L573 A574 A583 E584 L587	L570-L573 PolarHBondContact O-N 3.08Å; L570-A574 WeakPolarHBondContact O-CB 3.14Å; L570-A574 PolarHBondContact O-N 3.32Å; L570-A583 HydrophobicContact CD1-CB 3.95Å; L570-E584 HydrophobicContact CD1-CB 4.43Å; L570-E584 HydrophobicContact CD1-CG 3.83Å; L570-E584 HydrophobicContact CD2-CG 3.6Å; L570-E584 HydrophobicContact CG-CG 4.28Å; L570-L587 HydrophobicContact CB-CD2 3.76Å; L570-L587 HydrophobicContact CD1-CB 4.45Å; L570-L587 HydrophobicContact CD1-CD2 4.17Å
571	D	98.4	Very high	97.8	Very high	98 Å²	98	64 Å²	64	52%	0.524	32%	0.323	S	S	.	.	H	α-helix	trans	-68.4	-38.9	-179	-66.4	-28.9	0	0	0	111.3	T569 L573 A574 E575 R580	T569-D571 PolarHBondContact O-N 2.94Å; D571-L573 VanDerWaalsContact C-N 3.32Å; D571-L573 PolarHBondContact O-N 3.42Å; D571-A574 PolarHBondContact O-N 3.32Å; D571-E575 WeakPolarHBondContact O-CB 3.24Å; D571-E575 PolarHBondContact O-N 3.3Å; D571-R580 IonicContact OD1-CZ 2.69Å; D571-R580 IonicContact OD1-NH1 2.81Å; D571-R580 PolarHBondContact OD1-NH1 3.12Å; D571-R580 IonicContact OD1-NH2 3.26Å
572	D	98.1	Very high	97.7	Very high	22 Å²	22	61 Å²	61	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-43.3	171.3	-61.4	-53.4	0	0	0	111.1	K565 I567 A568 T569 E575 V576	K565-D572 IonicContact NZ-OD1 3.17Å; K565-D572 PolarHBondContact NZ-OD1 3.48Å; I567-D572 HydrophobicContact CB-CB 4.5Å; I567-D572 HydrophobicContact CD1-CB 4.09Å; I567-D572 HydrophobicContact CG2-CB 3.95Å; A568-D572 PolarHBondContact N-OD2 2.87Å; A568-D572 VanDerWaalsContact N-OD2 3.15Å; T569-D572 PolarHBondContact N-OD2 2.87Å; T569-D572 PolarHBondContact O-N 3.22Å; T569-D572 PolarHBondContact OG1-N 2.85Å; T569-D572 PolarHBondContact OG1-OD2 2.99Å; D572-E575 PolarHBondContact O-N 2.74Å; D572-V576 PolarHBondContact O-N 3.28Å
573	L	98.3	Very high	97.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-44.1	179.5	-173	58.5	0	0	0	111.1	I567 T569 L570 D571 E575 V576 V577 A583 I586 L587 I596	I567-L573 HydrophobicContact CG2-CB 3.74Å; I567-L573 HydrophobicContact CG2-CD1 4.32Å; T569-L573 PolarHBondContact O-N 2.88Å; T569-L573 VanDerWaalsContact O-N 3.12Å; L570-L573 PolarHBondContact O-N 3.08Å; D571-L573 VanDerWaalsContact C-N 3.32Å; D571-L573 PolarHBondContact O-N 3.42Å; L573-E575 VanDerWaalsContact C-N 3.27Å; L573-E575 PolarHBondContact O-N 3.47Å; L573-V576 PolarHBondContact O-N 3.08Å; L573-V577 HydrophobicContact CD1-CG2 3.86Å; L573-V577 HydrophobicContact CG-CG2 4.11Å; L573-V577 WeakPolarHBondContact O-CB 3.26Å; L573-V577 VanDerWaalsContact O-CG2 3.24Å; L573-V577 WeakPolarHBondContact O-CG2 3.5Å; L573-V577 PolarHBondContact O-N 2.98Å; L573-A583 HydrophobicContact CB-CB 4.18Å; L573-A583 HydrophobicContact CD2-CB 4.04Å; L573-A583 HydrophobicContact CG-CB 3.79Å; L573-I586 HydrophobicContact CD2-CB 4.28Å; L573-I586 HydrophobicContact CD2-CG2 4.14Å; L573-L587 HydrophobicContact CD2-CB 4.44Å; L573-I596 HydrophobicContact CD1-CD1 4.43Å; L573-I596 HydrophobicContact CD2-CD1 4.27Å
574	A	98.1	Very high	97.7	Very high	14 Å²	14	61.1 Å²	61.1	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-63.4	-32.9	178.1	0	0	0	0	0	112.2	L570 D571 R578 R580 A583	L570-A574 WeakPolarHBondContact O-CB 3.14Å; L570-A574 PolarHBondContact O-N 3.32Å; D571-A574 PolarHBondContact O-N 3.32Å; A574-R578 WeakPolarHBondContact O-CA 3.23Å; A574-R578 PolarHBondContact O-N 2.82Å; A574-R580 HydrophobicContact CB-CB 4.21Å; A574-R580 HydrophobicContact CB-CG 4.22Å; A574-A583 HydrophobicContact CB-CB 4.02Å
575	E	97.6	Very high	97.6	Very high	110 Å²	110	63.1 Å²	63.1	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-64.7	-43.8	174.3	-173.8	-176.4	174.4	0	0	111.9	D571 D572 L573 R578	D571-E575 WeakPolarHBondContact O-CB 3.24Å; D571-E575 PolarHBondContact O-N 3.3Å; D572-E575 PolarHBondContact O-N 2.74Å; L573-E575 VanDerWaalsContact C-N 3.27Å; L573-E575 PolarHBondContact O-N 3.47Å; E575-R578 WeakPolarHBondContact O-CD 3.42Å; E575-R578 PolarHBondContact O-NE 3.25Å; E575-R578 VanDerWaalsContact O-NE 3.14Å
576	V	97.3	Very high	97.6	Very high	27 Å²	27	56.9 Å²	56.9	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-73.5	-41	-179.6	172	0	0	0	0	112.2	I567 D572 L573 E605 N606	I567-V576 HydrophobicContact CD1-CB 4.45Å; I567-V576 HydrophobicContact CD1-CG2 3.74Å; D572-V576 PolarHBondContact O-N 3.28Å; L573-V576 PolarHBondContact O-N 3.08Å; V576-E605 HydrophobicContact CG1-CB 4.15Å; V576-E605 HydrophobicContact CG1-CG 3.72Å; V576-N606 PolarHBondContact O-N 3.43Å
577	V	97	Very high	97.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-75.8	-28.9	-178.9	177	0	0	0	0	111.7	P516 L573 D579 V582 V604	P516-V577 HydrophobicContact CB-CG1 3.72Å; P516-V577 HydrophobicContact CG-CG1 4.13Å; P516-V577 WeakPolarHBondContact CG-O 3.18Å; L573-V577 HydrophobicContact CD1-CG2 3.86Å; L573-V577 HydrophobicContact CG-CG2 4.11Å; L573-V577 WeakPolarHBondContact O-CB 3.26Å; L573-V577 VanDerWaalsContact O-CG2 3.24Å; L573-V577 WeakPolarHBondContact O-CG2 3.5Å; L573-V577 PolarHBondContact O-N 2.98Å; V577-D579 HydrophobicContact CG1-CB 4.16Å; V577-D579 PolarHBondContact O-N 2.9Å; V577-D579 VanDerWaalsContact O-N 3.13Å; V577-V582 HydrophobicContact CG1-CB 4.05Å; V577-V582 HydrophobicContact CG1-CG1 3.93Å; V577-V604 WeakPolarHBondContact CA-O 3.4Å; V577-V604 HydrophobicContact CG1-CB 4.45Å; V577-V604 HydrophobicContact CG2-CB 4.2Å; V577-V604 HydrophobicContact CG2-CG2 3.86Å
578	R	96.4	Very high	97.6	Very high	173 Å²	173	59.1 Å²	59.1	65%	0.653	29%	0.286	S	S	*	.	S	Bend	trans	59.3	12.9	-171.7	-60.5	-69.4	-179.8	170.9	-4.1	114.8	A574 E575 N606	A574-R578 WeakPolarHBondContact O-CA 3.23Å; A574-R578 PolarHBondContact O-N 2.82Å; E575-R578 WeakPolarHBondContact O-CD 3.42Å; E575-R578 PolarHBondContact O-NE 3.25Å; E575-R578 VanDerWaalsContact O-NE 3.14Å; R578-N606 HydrophobicContact CB-CB 4.19Å; R578-N606 HydrophobicContact CG-CB 3.61Å
579	D	96.5	Very high	97.6	Very high	32 Å²	32	55.8 Å²	55.8	17%	0.171	26%	0.258	C	S	.	.			trans	-134.2	107.6	167.1	-177.3	-29.3	0	0	0	108.5	P516 V577 R581 V582 A583	P516-D579 HydrophobicContact CB-CB 4.28Å; V577-D579 HydrophobicContact CG1-CB 4.16Å; V577-D579 PolarHBondContact O-N 2.9Å; V577-D579 VanDerWaalsContact O-N 3.13Å; D579-R581 VanDerWaalsContact C-N 3.32Å; D579-R581 PolarHBondContact O-N 3.08Å; D579-R581 WeakPolarHBondContact OD1-CA 3.09Å; D579-R581 VanDerWaalsContact OD1-CB 3.29Å; D579-R581 WeakPolarHBondContact OD1-CB 3.34Å; D579-R581 PolarHBondContact OD1-N 2.86Å; D579-R581 IonicContact OD2-NH2 3.84Å; D579-R581 PolarHBondContact OD2-NH2 2.89Å; D579-V582 HydrophobicContact CB-CB 4.07Å; D579-V582 HydrophobicContact CB-CG2 4.05Å; D579-V582 PolarHBondContact O-N 3.33Å; D579-V582 PolarHBondContact OD1-N 3.06Å; D579-V582 WeakPolarHBondContact OD2-CG2 2.73Å; D579-A583 PolarHBondContact O-N 3.37Å
580	R	97.5	Very high	97.6	Very high	120 Å²	120	52.5 Å²	52.5	45%	0.453	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-36.8	-179.7	-174.7	-179.9	-177.4	91.2	0.3	112.2	D571 A574 A583 E584	D571-R580 IonicContact OD1-CZ 2.69Å; D571-R580 IonicContact OD1-NH1 2.81Å; D571-R580 PolarHBondContact OD1-NH1 3.12Å; D571-R580 IonicContact OD1-NH2 3.26Å; A574-R580 HydrophobicContact CB-CB 4.21Å; A574-R580 HydrophobicContact CB-CG 4.22Å; R580-A583 PolarHBondContact O-N 2.64Å; R580-E584 HydrophobicContact CG-CG 4.32Å; R580-E584 IonicContact CZ-OE1 2.77Å; R580-E584 IonicContact NE-OE1 2.97Å; R580-E584 PolarHBondContact NE-OE1 3.06Å; R580-E584 IonicContact NH2-OE1 3.85Å; R580-E584 WeakPolarHBondContact O-CB 3.4Å; R580-E584 VanDerWaalsContact O-CG 3.31Å; R580-E584 WeakPolarHBondContact O-CG 3.31Å; R580-E584 PolarHBondContact O-N 3.4Å
581	R	97.4	Very high	97.6	Very high	128 Å²	128	56.2 Å²	56.2	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-66.6	-40.1	-179.1	172.4	-168.2	63	162.4	-0.1	110.3	D517 D579 K585	D517-R581 IonicContact OD2-NH2 2.72Å; D517-R581 PolarHBondContact OD2-NH2 3.41Å; D579-R581 VanDerWaalsContact C-N 3.32Å; D579-R581 PolarHBondContact O-N 3.08Å; D579-R581 WeakPolarHBondContact OD1-CA 3.09Å; D579-R581 VanDerWaalsContact OD1-CB 3.29Å; D579-R581 WeakPolarHBondContact OD1-CB 3.34Å; D579-R581 PolarHBondContact OD1-N 2.86Å; D579-R581 IonicContact OD2-NH2 3.84Å; D579-R581 PolarHBondContact OD2-NH2 2.89Å; R581-K585 WeakPolarHBondContact O-CG 3.43Å; R581-K585 PolarHBondContact O-N 3.35Å; R581-K585 VanDerWaalsContact O-N 3.13Å
582	V	96.9	Very high	97.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-45.2	174.1	173.3	0	0	0	0	110.7	V182 P516 D517 V577 D579 E584 K585 I586	V182-V582 HydrophobicContact CG1-CG1 4.39Å; P516-V582 HydrophobicContact CB-CB 4.45Å; P516-V582 HydrophobicContact CB-CG1 4.25Å; P516-V582 HydrophobicContact CB-CG2 4.31Å; D517-V582 HydrophobicContact CB-CG2 3.83Å; V577-V582 HydrophobicContact CG1-CB 4.05Å; V577-V582 HydrophobicContact CG1-CG1 3.93Å; D579-V582 HydrophobicContact CB-CB 4.07Å; D579-V582 HydrophobicContact CB-CG2 4.05Å; D579-V582 PolarHBondContact O-N 3.33Å; D579-V582 PolarHBondContact OD1-N 3.06Å; D579-V582 WeakPolarHBondContact OD2-CG2 2.73Å; V582-E584 VanDerWaalsContact C-N 3.33Å; V582-E584 PolarHBondContact O-N 2.83Å; V582-K585 PolarHBondContact O-N 3.21Å; V582-I586 HydrophobicContact CG1-CD1 3.79Å; V582-I586 HydrophobicContact CG1-CG1 4.39Å; V582-I586 WeakPolarHBondContact O-CG1 3.23Å; V582-I586 PolarHBondContact O-N 3.04Å
583	A	98.3	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-42.8	176.1	0	0	0	0	0	112.6	L570 L573 A574 D579 R580 I586 L587	L570-A583 HydrophobicContact CD1-CB 3.95Å; L573-A583 HydrophobicContact CB-CB 4.18Å; L573-A583 HydrophobicContact CD2-CB 4.04Å; L573-A583 HydrophobicContact CG-CB 3.79Å; A574-A583 HydrophobicContact CB-CB 4.02Å; D579-A583 PolarHBondContact O-N 3.37Å; R580-A583 PolarHBondContact O-N 2.64Å; A583-I586 PolarHBondContact O-N 3.44Å; A583-L587 WeakPolarHBondContact O-CB 3.28Å; A583-L587 PolarHBondContact O-N 2.72Å
584	E	98.2	Very high	97.5	Very high	85 Å²	85	55 Å²	55	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-45.3	175.6	-79	171.3	-178.8	0	0	111.8	L570 R580 V582 L587 H588	L570-E584 HydrophobicContact CD1-CB 4.43Å; L570-E584 HydrophobicContact CD1-CG 3.83Å; L570-E584 HydrophobicContact CD2-CG 3.6Å; L570-E584 HydrophobicContact CG-CG 4.28Å; R580-E584 HydrophobicContact CG-CG 4.32Å; R580-E584 IonicContact CZ-OE1 2.77Å; R580-E584 IonicContact NE-OE1 2.97Å; R580-E584 PolarHBondContact NE-OE1 3.06Å; R580-E584 IonicContact NH2-OE1 3.85Å; R580-E584 WeakPolarHBondContact O-CB 3.4Å; R580-E584 VanDerWaalsContact O-CG 3.31Å; R580-E584 WeakPolarHBondContact O-CG 3.31Å; R580-E584 PolarHBondContact O-N 3.4Å; V582-E584 VanDerWaalsContact C-N 3.33Å; V582-E584 PolarHBondContact O-N 2.83Å; E584-L587 PolarHBondContact O-N 2.9Å; E584-H588 WeakPolarHBondContact O-CB 3.47Å; E584-H588 PolarHBondContact O-N 2.83Å
585	K	97.6	Very high	97.5	Very high	86 Å²	86	54.3 Å²	54.3	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-46.3	175.9	-73.3	174.3	171.8	-167.2	0	112.2	E181 V182 R581 V582 H588 L589	E181-K585 PolarHBondContact O-NZ 2.72Å; E181-K585 VanDerWaalsContact O-NZ 3.1Å; V182-K585 HydrophobicContact CG2-CB 4.18Å; R581-K585 WeakPolarHBondContact O-CG 3.43Å; R581-K585 PolarHBondContact O-N 3.35Å; R581-K585 VanDerWaalsContact O-N 3.13Å; V582-K585 PolarHBondContact O-N 3.21Å; K585-H588 PolarHBondContact O-N 2.78Å; K585-L589 WeakPolarHBondContact O-CG 3.41Å; K585-L589 PolarHBondContact O-N 3.14Å
586	I	98.3	Very high	97.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-50.2	-179.9	-68.2	169.3	0	0	0	109.9	V182 L573 V582 A583 H588 L589 Y590 I596 L600 V604	V182-I586 HydrophobicContact CG1-CD1 4.17Å; V182-I586 HydrophobicContact CG1-CG1 3.84Å; V182-I586 HydrophobicContact CG2-CG1 4.18Å; L573-I586 HydrophobicContact CD2-CB 4.28Å; L573-I586 HydrophobicContact CD2-CG2 4.14Å; V582-I586 HydrophobicContact CG1-CD1 3.79Å; V582-I586 HydrophobicContact CG1-CG1 4.39Å; V582-I586 WeakPolarHBondContact O-CG1 3.23Å; V582-I586 PolarHBondContact O-N 3.04Å; A583-I586 PolarHBondContact O-N 3.44Å; I586-H588 VanDerWaalsContact C-N 3.32Å; I586-H588 PolarHBondContact O-N 3.4Å; I586-L589 PolarHBondContact O-N 3.39Å; I586-L589 VanDerWaalsContact O-N 3.11Å; I586-Y590 HydrophobicContact CG2-CD2 4.01Å; I586-Y590 WeakPolarHBondContact O-CD2 3.28Å; I586-Y590 PolarHBondContact O-N 3.41Å; I586-I596 HydrophobicContact CG2-CD1 3.68Å; I586-I596 HydrophobicContact CG2-CG1 3.92Å; I586-L600 HydrophobicContact CG1-CD2 4.42Å; I586-V604 HydrophobicContact CD1-CB 4.31Å; I586-V604 HydrophobicContact CD1-CG1 3.97Å; I586-V604 HydrophobicContact CD1-CG2 4Å
587	L	97.7	Very high	97.6	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-34.2	-179	-168.3	62.4	0	0	0	111.9	L570 L573 A583 E584 L589 Q591 P593	L570-L587 HydrophobicContact CB-CD2 3.76Å; L570-L587 HydrophobicContact CD1-CB 4.45Å; L570-L587 HydrophobicContact CD1-CD2 4.17Å; L573-L587 HydrophobicContact CD2-CB 4.44Å; A583-L587 WeakPolarHBondContact O-CB 3.28Å; A583-L587 PolarHBondContact O-N 2.72Å; E584-L587 PolarHBondContact O-N 2.9Å; L587-L589 VanDerWaalsContact C-N 3.29Å; L587-L589 PolarHBondContact O-N 2.89Å; L587-Q591 WeakPolarHBondContact O-CA 3.47Å; L587-Q591 PolarHBondContact O-N 2.84Å; L587-P593 HydrophobicContact CD1-CG 3.95Å
588	H	97.6	Very high	97.7	Very high	117 Å²	117	48.6 Å²	48.6	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-34.2	171.9	-179.6	73.2	0	0	0	112.7	E584 K585 I586 Q591	E584-H588 WeakPolarHBondContact O-CB 3.47Å; E584-H588 PolarHBondContact O-N 2.83Å; K585-H588 PolarHBondContact O-N 2.78Å; I586-H588 VanDerWaalsContact C-N 3.32Å; I586-H588 PolarHBondContact O-N 3.4Å; H588-Q591 PolarHBondContact O-NE2 2.94Å
589	L	97.3	Very high	97.8	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	18%	0.182	C	C	.	.	H	α-helix	trans	-80.9	-44.7	178.3	-71.4	174	0	0	0	112.8	P173 R177 V178 E181 V182 K585 I586 L587	P173-L589 HydrophobicContact CB-CB 4.24Å; P173-L589 HydrophobicContact CG-CB 4.45Å; R177-L589 HydrophobicContact CG-CD2 4.09Å; R177-L589 VanDerWaalsContact CZ-CD2 3.45Å; V178-L589 HydrophobicContact CG2-CD1 4.33Å; E181-L589 HydrophobicContact CB-CD1 4.17Å; V182-L589 HydrophobicContact CG2-CD1 3.68Å; K585-L589 WeakPolarHBondContact O-CG 3.41Å; K585-L589 PolarHBondContact O-N 3.14Å; I586-L589 PolarHBondContact O-N 3.39Å; I586-L589 VanDerWaalsContact O-N 3.11Å; L587-L589 VanDerWaalsContact C-N 3.29Å; L587-L589 PolarHBondContact O-N 2.89Å
590	Y	98.1	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-87.7	-17.2	-174.4	-78.9	-87.2	0	0	0	114.1	S170 P173 V178 I586 H592 N595 I596 D597 L600	S170-Y590 PolarHBondContact OG-O 2.92Å; P173-Y590 HydrophobicContact CG-CD1 3.63Å; P173-Y590 HydrophobicContact CG-CD2 3.98Å; P173-Y590 HydrophobicContact CG-CE1 3.56Å; P173-Y590 HydrophobicContact CG-CE2 3.89Å; P173-Y590 HydrophobicContact CG-CG 3.87Å; V178-Y590 HydrophobicContact CG1-CE2 4.15Å; V178-Y590 HydrophobicContact CG2-CE2 3.96Å; I586-Y590 HydrophobicContact CG2-CD2 4.01Å; I586-Y590 WeakPolarHBondContact O-CD2 3.28Å; I586-Y590 PolarHBondContact O-N 3.41Å; Y590-H592 PolarHBondContact O-N 2.79Å; Y590-N595 VanDerWaalsContact CD1-C 3.49Å; Y590-N595 HydrophobicContact CD1-CB 4.01Å; Y590-N595 WeakPolarHBondContact CD1-O 3.4Å; Y590-N595 VanDerWaalsContact CE1-O 3.26Å; Y590-N595 WeakPolarHBondContact CE1-O 3.5Å; Y590-N595 PolarHBondContact O-ND2 3.17Å; Y590-I596 HydrophobicContact CD1-CG1 4.43Å; Y590-I596 HydrophobicContact CD2-CG1 4.24Å; Y590-I596 HydrophobicContact CG-CG1 4Å; Y590-D597 VanDerWaalsContact CE1-OD2 3.28Å; Y590-D597 WeakPolarHBondContact CE1-OD2 3.27Å; Y590-D597 PolarHBondContact OH-OD2 2.83Å; Y590-L600 HydrophobicContact CE2-CD2 3.64Å
591	Q	97.5	Very high	98	Very high	116 Å²	116	33.4 Å²	33.4	54%	0.542	15%	0.153	S	C	.	.	S	Bend	trans	61.3	-25.2	-179.3	-58.4	-71.9	-37.6	0	0	115.4	L587 H588	L587-Q591 WeakPolarHBondContact O-CA 3.47Å; L587-Q591 PolarHBondContact O-N 2.84Å; H588-Q591 PolarHBondContact O-NE2 2.94Å
592	H	97.6	Very high	98	Very high	65 Å²	65	27.4 Å²	27.4	30%	0.301	13%	0.13	S	C	.	.	S	Bend	trans	-139.3	135.9	177.3	-163	-86.9	0	0	0	110.9	H168 Y590 D594 N595	H168-H592 HydrophobicContact CB-CB 4Å; H168-H592 AromaticContact CG-ND1 3.92Å; Y590-H592 PolarHBondContact O-N 2.79Å; H592-D594 VanDerWaalsContact C-N 3.32Å; H592-D594 IonicContact CE1-OD2 3.9Å; H592-D594 PolarHBondContact CE1-OD2 2.73Å; H592-D594 WeakPolarHBondContact ND1-CB 3.17Å; H592-D594 PolarHBondContact ND1-N 3.23Å; H592-D594 IonicContact ND1-OD2 3.67Å; H592-D594 PolarHBondContact O-N 3.31Å; H592-N595 WeakPolarHBondContact O-CB 3.48Å; H592-N595 PolarHBondContact O-N 3.01Å
593	P	97.4	Very high	98	Very high	7 Å²	7	27.7 Å²	27.7	5%	0.045	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-60.6	-34	-178.7	-25.3	34.8	0	0	0	114.9	I567 L587 N595 I596	I567-P593 HydrophobicContact CB-CB 4.1Å; I567-P593 HydrophobicContact CG2-CB 3.92Å; I567-P593 HydrophobicContact CG2-CG 4.17Å; I567-P593 WeakPolarHBondContact O-CB 3.05Å; L587-P593 HydrophobicContact CD1-CG 3.95Å; P593-N595 PolarHBondContact O-N 2.74Å; P593-I596 WeakPolarHBondContact O-CB 3.37Å; P593-I596 WeakPolarHBondContact O-CG1 3.36Å; P593-I596 PolarHBondContact O-N 3.24Å
594	D	97.6	Very high	98	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.128	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-65.4	-19.8	176.3	-65.9	-30.9	0	0	0	112.8	H168 G554 N556 R566 H592 I596	H168-D594 IonicContact CE1-OD2 2.82Å; H168-D594 IonicContact ND1-OD2 3.37Å; G554-D594 WeakPolarHBondContact CA-O 3.36Å; N556-D594 WeakPolarHBondContact CB-OD1 3.47Å; N556-D594 PolarHBondContact ND2-OD1 3.25Å; R566-D594 IonicContact CZ-OD1 3.37Å; R566-D594 IonicContact NH2-OD1 3.35Å; R566-D594 PolarHBondContact NH2-OD1 3.34Å; R566-D594 IonicContact NH2-OD2 2.76Å; H592-D594 VanDerWaalsContact C-N 3.32Å; H592-D594 IonicContact CE1-OD2 3.9Å; H592-D594 PolarHBondContact CE1-OD2 2.73Å; H592-D594 WeakPolarHBondContact ND1-CB 3.17Å; H592-D594 PolarHBondContact ND1-N 3.23Å; H592-D594 IonicContact ND1-OD2 3.67Å; H592-D594 PolarHBondContact O-N 3.31Å; D594-I596 VanDerWaalsContact C-N 3.32Å; D594-I596 PolarHBondContact O-N 3.35Å
595	N	97.9	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-78.8	-14.3	178.1	-73.2	-23	0	0	0	113.6	H167 H168 S170 L172 Y590 H592 P593 D597	H167-N595 VanDerWaalsContact CB-OD1 3.3Å; H167-N595 WeakPolarHBondContact CB-OD1 3.48Å; H167-N595 PolarHBondContact O-ND2 3.21Å; H167-N595 PolarHBondContact O-OD1 3.1Å; H168-N595 PolarHBondContact CD2-OD1 3Å; H168-N595 VanDerWaalsContact CD2-OD1 3.23Å; S170-N595 PolarHBondContact OG-ND2 3.43Å; L172-N595 HydrophobicContact CD2-CB 3.76Å; Y590-N595 VanDerWaalsContact CD1-C 3.49Å; Y590-N595 HydrophobicContact CD1-CB 4.01Å; Y590-N595 WeakPolarHBondContact CD1-O 3.4Å; Y590-N595 VanDerWaalsContact CE1-O 3.26Å; Y590-N595 WeakPolarHBondContact CE1-O 3.5Å; Y590-N595 PolarHBondContact O-ND2 3.17Å; H592-N595 WeakPolarHBondContact O-CB 3.48Å; H592-N595 PolarHBondContact O-N 3.01Å; P593-N595 PolarHBondContact O-N 2.74Å; N595-D597 PolarHBondContact O-N 3.49Å
596	I	98.8	Very high	97.8	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-62.2	125.4	-175.4	-61.8	168.7	0	0	0	109.4	Y555 L573 I586 Y590 P593 D594 V598	Y555-I596 VanDerWaalsContact CB-O 3.28Å; Y555-I596 WeakPolarHBondContact CB-O 3.39Å; Y555-I596 HydrophobicContact CD1-CB 4.4Å; Y555-I596 HydrophobicContact CD1-CD1 4.34Å; Y555-I596 HydrophobicContact CD1-CG2 4.39Å; Y555-I596 HydrophobicContact CG-CB 4.48Å; Y555-I596 HydrophobicContact CG-CG2 4.32Å; Y555-I596 PolarHBondContact N-O 3.41Å; L573-I596 HydrophobicContact CD1-CD1 4.43Å; L573-I596 HydrophobicContact CD2-CD1 4.27Å; I586-I596 HydrophobicContact CG2-CD1 3.68Å; I586-I596 HydrophobicContact CG2-CG1 3.92Å; Y590-I596 HydrophobicContact CD1-CG1 4.43Å; Y590-I596 HydrophobicContact CD2-CG1 4.24Å; Y590-I596 HydrophobicContact CG-CG1 4Å; P593-I596 WeakPolarHBondContact O-CB 3.37Å; P593-I596 WeakPolarHBondContact O-CG1 3.36Å; P593-I596 PolarHBondContact O-N 3.24Å; D594-I596 VanDerWaalsContact C-N 3.32Å; D594-I596 PolarHBondContact O-N 3.35Å; I596-V598 PolarHBondContact O-N 2.82Å
597	D	98.8	Very high	97.7	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.053	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-63.4	130.4	175.8	-64	-73.8	0	0	0	109.5	L544 R548 Y590 N595 W599 L600 G601	L544-D597 HydrophobicContact CD2-CB 3.64Å; R548-D597 WeakPolarHBondContact CG-OD1 3.5Å; R548-D597 IonicContact CZ-OD1 2.77Å; R548-D597 IonicContact CZ-OD2 3.66Å; R548-D597 IonicContact NE-OD1 3.4Å; R548-D597 PolarHBondContact NE-OD1 3.49Å; R548-D597 VanDerWaalsContact NE-OD1 3.1Å; R548-D597 IonicContact NE-OD2 3.65Å; R548-D597 PolarHBondContact NE-OD2 3.04Å; R548-D597 IonicContact NH2-OD1 2.78Å; R548-D597 IonicContact NH2-OD2 3.86Å; R548-D597 PolarHBondContact NH2-OD2 3.32Å; Y590-D597 VanDerWaalsContact CE1-OD2 3.28Å; Y590-D597 WeakPolarHBondContact CE1-OD2 3.27Å; Y590-D597 PolarHBondContact OH-OD2 2.83Å; N595-D597 PolarHBondContact O-N 3.49Å; D597-W599 PolarHBondContact O-N 2.9Å; D597-W599 VanDerWaalsContact O-N 3.11Å; D597-L600 PolarHBondContact O-N 3.05Å; D597-G601 PolarHBondContact O-N 2.74Å
598	V	98.7	Very high	97.6	Very high	5 Å²	5	27 Å²	27	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-33.2	-172.6	60	0	0	0	0	114	V448 A452 L552 W558 I596 G601 G602 L616	V448-V598 HydrophobicContact CG2-CG2 4.44Å; A452-V598 HydrophobicContact CB-CG1 3.73Å; L552-V598 HydrophobicContact CB-CG1 4.16Å; L552-V598 HydrophobicContact CD1-CG1 3.68Å; W558-V598 HydrophobicContact CB-CG2 3.98Å; W558-V598 VanDerWaalsContact CD1-CG2 3.42Å; W558-V598 HydrophobicContact CG-CB 4.4Å; W558-V598 HydrophobicContact CG-CG2 3.72Å; I596-V598 PolarHBondContact O-N 2.82Å; V598-G601 PolarHBondContact O-N 3.37Å; V598-G602 PolarHBondContact O-N 3.44Å; V598-L616 HydrophobicContact CG2-CD2 4.16Å
599	W	98.7	Very high	97.4	Very high	5 Å²	5	27 Å²	27	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-47.7	176.5	176.7	75.5	0	0	0	111.9	V183 A452 R455 L520 A540 N543 L544 D597 L603	V183-W599 HydrophobicContact CG1-CH2 4.23Å; V183-W599 HydrophobicContact CG2-CZ3 4.46Å; A452-W599 HydrophobicContact CB-CB 4.06Å; R455-W599 PolarHBondContact O-NE1 2.86Å; L520-W599 HydrophobicContact CD1-CH2 4.07Å; L520-W599 HydrophobicContact CD1-CZ2 4.11Å; L520-W599 HydrophobicContact CD2-CH2 4.18Å; L520-W599 HydrophobicContact CD2-CZ2 4.32Å; A540-W599 HydrophobicContact CB-CH2 3.87Å; A540-W599 HydrophobicContact CB-CZ3 4.17Å; N543-W599 HydrophobicContact CB-CD2 3.76Å; N543-W599 HydrophobicContact CB-CE3 3.98Å; N543-W599 HydrophobicContact CB-CG 4.26Å; N543-W599 HydrophobicContact CB-CH2 4.29Å; N543-W599 HydrophobicContact CB-CZ2 4.08Å; N543-W599 HydrophobicContact CB-CZ3 4.24Å; N543-W599 WeakPolarHBondContact ND2-CZ2 3.14Å; L544-W599 HydrophobicContact CD2-CE3 3.87Å; L544-W599 HydrophobicContact CD2-CZ3 4.34Å; L544-W599 HydrophobicContact CG-CE3 4.02Å; L544-W599 HydrophobicContact CG-CZ3 4.13Å; D597-W599 PolarHBondContact O-N 2.9Å; D597-W599 VanDerWaalsContact O-N 3.11Å; W599-L603 HydrophobicContact CD2-CD1 3.86Å; W599-L603 HydrophobicContact CE3-CD1 4.25Å; W599-L603 HydrophobicContact CH2-CD1 3.78Å; W599-L603 HydrophobicContact CZ2-CD1 3.33Å; W599-L603 HydrophobicContact CZ3-CD1 4.22Å; W599-L603 WeakPolarHBondContact O-CB 3.22Å; W599-L603 WeakPolarHBondContact O-CG 3.42Å; W599-L603 PolarHBondContact O-N 3.28Å
600	L	98.6	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.3	-48.4	175.7	176	66	0	0	0	110.5	V178 V182 V183 L519 L544 I586 Y590 D597 G602 L603 V604	V178-L600 HydrophobicContact CG1-CD2 3.68Å; V182-L600 HydrophobicContact CG1-CD1 4.1Å; V183-L600 HydrophobicContact CG2-CD1 3.94Å; L519-L600 HydrophobicContact CD1-CD1 4.22Å; L544-L600 HydrophobicContact CD2-CB 4.09Å; I586-L600 HydrophobicContact CG1-CD2 4.42Å; Y590-L600 HydrophobicContact CE2-CD2 3.64Å; D597-L600 PolarHBondContact O-N 3.05Å; L600-G602 VanDerWaalsContact C-N 3.31Å; L600-G602 PolarHBondContact O-N 3.12Å; L600-L603 PolarHBondContact O-N 3.23Å; L600-L603 VanDerWaalsContact O-N 3.09Å; L600-V604 HydrophobicContact CD1-CG1 3.82Å; L600-V604 HydrophobicContact CG-CG1 4.41Å; L600-V604 WeakPolarHBondContact O-CG2 3.47Å; L600-V604 PolarHBondContact O-N 3.11Å; L600-V604 VanDerWaalsContact O-N 3.12Å
601	G	98.3	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-43.4	-176.7	0	0	0	0	0	112.8	Y555 D597 V598 V604 E605	Y555-G601 WeakPolarHBondContact CE2-O 3.38Å; D597-G601 PolarHBondContact O-N 2.74Å; V598-G601 PolarHBondContact O-N 3.37Å; G601-V604 WeakPolarHBondContact O-CG2 3.3Å; G601-E605 VanDerWaalsContact O-CG 3.32Å; G601-E605 WeakPolarHBondContact O-CG 3.47Å
602	G	97.9	Very high	96.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-73.7	-28.7	176.4	0	0	0	0	0	114.6	V598 L600 F617	V598-G602 PolarHBondContact O-N 3.44Å; L600-G602 VanDerWaalsContact C-N 3.31Å; L600-G602 PolarHBondContact O-N 3.12Å; G602-F617 VanDerWaalsContact C-CE2 3.45Å
603	L	97.3	Very high	96.8	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-71	-34.5	177.5	-87.3	-178.2	0	0	0	113.5	F456 A459 L519 W599 L600 E605 F617	F456-L603 HydrophobicContact CB-CD2 4.05Å; A459-L603 HydrophobicContact CB-CD2 3.78Å; L519-L603 HydrophobicContact CD2-CB 4.29Å; W599-L603 HydrophobicContact CD2-CD1 3.86Å; W599-L603 HydrophobicContact CE3-CD1 4.25Å; W599-L603 HydrophobicContact CH2-CD1 3.78Å; W599-L603 HydrophobicContact CZ2-CD1 3.33Å; W599-L603 HydrophobicContact CZ3-CD1 4.22Å; W599-L603 WeakPolarHBondContact O-CB 3.22Å; W599-L603 WeakPolarHBondContact O-CG 3.42Å; W599-L603 PolarHBondContact O-N 3.28Å; L600-L603 PolarHBondContact O-N 3.23Å; L600-L603 VanDerWaalsContact O-N 3.09Å; L603-E605 VanDerWaalsContact C-N 3.35Å; L603-F617 HydrophobicContact CD2-CE2 4.13Å; L603-F617 HydrophobicContact CG-CE2 3.99Å
604	V	97.5	Very high	96.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	13%	0.132	C	C	.	.	S	Bend	trans	-86.7	-6.3	-175.5	-62.2	0	0	0	0	113.3	L519 V577 I586 L600 G601	L519-V604 HydrophobicContact CD1-CG1 3.94Å; V577-V604 WeakPolarHBondContact CA-O 3.4Å; V577-V604 HydrophobicContact CG1-CB 4.45Å; V577-V604 HydrophobicContact CG2-CB 4.2Å; V577-V604 HydrophobicContact CG2-CG2 3.86Å; I586-V604 HydrophobicContact CD1-CB 4.31Å; I586-V604 HydrophobicContact CD1-CG1 3.97Å; I586-V604 HydrophobicContact CD1-CG2 4Å; L600-V604 HydrophobicContact CD1-CG1 3.82Å; L600-V604 HydrophobicContact CG-CG1 4.41Å; L600-V604 WeakPolarHBondContact O-CG2 3.47Å; L600-V604 PolarHBondContact O-N 3.11Å; L600-V604 VanDerWaalsContact O-N 3.12Å; G601-V604 WeakPolarHBondContact O-CG2 3.3Å
605	E	97.8	Very high	96.8	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.014	14%	0.138	C	C	.	.	S	Bend	trans	-65.9	137.1	174.7	-60.3	-164.6	162.9	0	0	110.7	Y555 R559 V576 G601 L603 F607 P615 L616	Y555-E605 HydrophobicContact CE2-CG 4.46Å; Y555-E605 VanDerWaalsContact CE2-OE1 3.31Å; Y555-E605 WeakPolarHBondContact CE2-OE1 3.39Å; Y555-E605 WeakPolarHBondContact OH-CG 3.47Å; Y555-E605 PolarHBondContact OH-OE1 2.7Å; R559-E605 IonicContact CZ-OE1 2.86Å; R559-E605 IonicContact NH1-OE1 2.78Å; R559-E605 PolarHBondContact NH1-OE1 3.38Å; V576-E605 HydrophobicContact CG1-CB 4.15Å; V576-E605 HydrophobicContact CG1-CG 3.72Å; G601-E605 VanDerWaalsContact O-CG 3.32Å; G601-E605 WeakPolarHBondContact O-CG 3.47Å; L603-E605 VanDerWaalsContact C-N 3.35Å; E605-F607 PolarHBondContact O-N 2.89Å; E605-P615 WeakPolarHBondContact OE2-CD 3.47Å; E605-P615 VanDerWaalsContact OE2-N 3.12Å; E605-L616 WeakPolarHBondContact OE1-CB 3.49Å; E605-L616 WeakPolarHBondContact OE2-CB 3.15Å; E605-L616 PolarHBondContact OE2-N 3.47Å
606	N	95.6	Very high	96.8	Very high	84 Å²	84	23.1 Å²	23.1	45%	0.449	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-59.5	136.8	174	-178.4	76.4	0	0	0	111.3	V576 R578 G614	V576-N606 PolarHBondContact O-N 3.43Å; R578-N606 HydrophobicContact CB-CB 4.19Å; R578-N606 HydrophobicContact CG-CB 3.61Å; N606-G614 WeakPolarHBondContact O-CA 3.41Å
607	F	95.4	Very high	96.8	Very high	56 Å²	56	23.1 Å²	23.1	25%	0.246	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-63.9	144.4	-178.7	-66.2	-10	0	0	0	112.5	A514 E605 R612	A514-F607 HydrophobicContact CB-CZ 4.07Å; A514-F607 WeakPolarHBondContact O-CE2 3.39Å; A514-F607 WeakPolarHBondContact O-CZ 3.33Å; E605-F607 PolarHBondContact O-N 2.89Å; F607-R612 WeakPolarHBondContact CE1-O 3.08Å; F607-R612 WeakPolarHBondContact CZ-O 3.47Å
608	L	94.8	Very high	96.8	Very high	49 Å²	49	22.6 Å²	22.6	26%	0.257	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-70.2	155.5	168.7	-64.4	171.8	0	0	0	110.4	S426 G610 S611 T613 P615 A618	S426-L608 VanDerWaalsContact OG-CD1 3.25Å; S426-L608 WeakPolarHBondContact OG-CD1 3.22Å; L608-G610 PolarHBondContact O-N 3.1Å; L608-G610 VanDerWaalsContact O-N 3.17Å; L608-S611 WeakPolarHBondContact CA-OG 3.36Å; L608-S611 WeakPolarHBondContact CB-OG 3.28Å; L608-S611 PolarHBondContact N-OG 3.48Å; L608-S611 PolarHBondContact O-N 2.99Å; L608-S611 PolarHBondContact O-OG 2.87Å; L608-T613 PolarHBondContact N-O 2.94Å; L608-P615 HydrophobicContact CD2-CG 3.98Å; L608-P615 HydrophobicContact CG-CG 4.39Å; L608-A618 HydrophobicContact CD1-CB 3.86Å
609	P	93.1	Very high	96.8	Very high	117 Å²	117	22.6 Å²	22.6	76%	0.76	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	123.2	176.3	-26.9	35.9	0	0	0	112.4	S611	P609-S611 PolarHBondContact O-N 3.44Å
610	G	91.4	Very high	96.8	Very high	49 Å²	49	22.3 Å²	22.3	51%	0.505	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	2	179.4	0	0	0	0	0	115.6	Y194 L608	Y194-G610 PolarHBondContact OH-O 2.94Å; L608-G610 PolarHBondContact O-N 3.1Å; L608-G610 VanDerWaalsContact O-N 3.17Å
611	S	94.9	Very high	96.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	13%	0.134	C	C	.	.			trans	-97.1	175.2	176.6	84.3	0	0	0	0	112.3	V421 I422 L608 P609 T613	V421-S611 WeakPolarHBondContact O-CB 3.24Å; I422-S611 VanDerWaalsContact C-CB 3.42Å; I422-S611 WeakPolarHBondContact O-CB 3.15Å; L608-S611 WeakPolarHBondContact CA-OG 3.36Å; L608-S611 WeakPolarHBondContact CB-OG 3.28Å; L608-S611 PolarHBondContact N-OG 3.48Å; L608-S611 PolarHBondContact O-N 2.99Å; L608-S611 PolarHBondContact O-OG 2.87Å; P609-S611 PolarHBondContact O-N 3.44Å; S611-T613 PolarHBondContact OG-N 3.32Å; S611-T613 PolarHBondContact OG-O 3.48Å
612	R	95.3	Very high	96.9	Very high	46 Å²	46	22.3 Å²	22.3	17%	0.174	13%	0.134	C	C	.	.	S	Bend	trans	-122.5	20.6	168.8	-64	-61	179	-90.1	4.3	112.7	D191 Y194 L198 V421 F607	D191-R612 IonicContact OD1-CZ 3.46Å; D191-R612 IonicContact OD1-NH2 3.49Å; D191-R612 PolarHBondContact OD1-NH2 3.41Å; D191-R612 IonicContact OD2-CZ 3.74Å; D191-R612 IonicContact OD2-NE 2.8Å; D191-R612 PolarHBondContact OD2-NE 3.3Å; D191-R612 IonicContact OD2-NH2 3.81Å; D191-R612 PolarHBondContact OD2-NH2 3.27Å; Y194-R612 HydrophobicContact CD2-CG 4.16Å; Y194-R612 HydrophobicContact CE2-CG 4.13Å; Y194-R612 VanDerWaalsContact CE2-NH2 3.3Å; L198-R612 HydrophobicContact CD2-CG 4.48Å; V421-R612 PolarHBondContact O-N 3.49Å; F607-R612 WeakPolarHBondContact CE1-O 3.08Å; F607-R612 WeakPolarHBondContact CZ-O 3.47Å
613	T	96.2	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.012	15%	0.15	C	C	.	.	S	Bend	trans	-142.4	150.4	177.6	55.5	0	0	0	0	110.3	V421 F456 L608 S611 F617 I621	V421-T613 HydrophobicContact CG1-CG2 3.88Å; V421-T613 PolarHBondContact O-N 3.47Å; V421-T613 PolarHBondContact O-OG1 2.76Å; F456-T613 HydrophobicContact CB-CG2 4.49Å; F456-T613 HydrophobicContact CD1-CG2 4.29Å; F456-T613 HydrophobicContact CD2-CG2 3.67Å; F456-T613 HydrophobicContact CE2-CG2 3.95Å; F456-T613 HydrophobicContact CG-CG2 3.87Å; F456-T613 HydrophobicContact CZ-CG2 4.38Å; L608-T613 PolarHBondContact N-O 2.94Å; S611-T613 PolarHBondContact OG-N 3.32Å; S611-T613 PolarHBondContact OG-O 3.48Å; T613-F617 HydrophobicContact CG2-CB 4.08Å; T613-I621 HydrophobicContact CG2-CD1 4.09Å
614	G	97.3	Very high	97	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	15%	0.147	C	C	.	.			trans	-76	174	169	0	0	0	0	0	112.9	N606 L616 F617 A618	N606-G614 WeakPolarHBondContact O-CA 3.41Å; G614-L616 VanDerWaalsContact C-N 3.29Å; G614-L616 PolarHBondContact O-N 2.98Å; G614-F617 PolarHBondContact O-N 2.92Å; G614-A618 WeakPolarHBondContact O-CB 3.19Å; G614-A618 PolarHBondContact O-N 2.82Å
615	P	98.3	Very high	97	Very high	40 Å²	40	25.5 Å²	25.5	26%	0.26	15%	0.147	S	C	.	.	H	α-helix	trans	-48.6	-41.5	-177.5	-27.5	30.8	0	0	0	115.7	L564 E605 L608 C619	L564-P615 HydrophobicContact CD1-CB 3.92Å; L564-P615 HydrophobicContact CD2-CB 3.96Å; E605-P615 WeakPolarHBondContact OE2-CD 3.47Å; E605-P615 VanDerWaalsContact OE2-N 3.12Å; L608-P615 HydrophobicContact CD2-CG 3.98Å; L608-P615 HydrophobicContact CG-CG 4.39Å; P615-C619 WeakPolarHBondContact O-CB 3.26Å; P615-C619 PolarHBondContact O-N 2.93Å
616	L	98.8	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-51.8	-177.1	177.4	59.9	0	0	0	111.5	Y555 W558 R559 C562 L564 V598 E605 G614 A618 C619 L620	Y555-L616 HydrophobicContact CD2-CD2 3.58Å; Y555-L616 HydrophobicContact CE2-CD2 3.51Å; W558-L616 HydrophobicContact CB-CD1 3.95Å; W558-L616 HydrophobicContact CB-CD2 4.24Å; W558-L616 WeakPolarHBondContact O-CD1 3.34Å; R559-L616 HydrophobicContact CG-CD2 4.47Å; C562-L616 HydrophobicContact CB-CD1 4.23Å; L564-L616 HydrophobicContact CD1-CB 4.05Å; L564-L616 HydrophobicContact CD1-CD1 4.41Å; V598-L616 HydrophobicContact CG2-CD2 4.16Å; E605-L616 WeakPolarHBondContact OE1-CB 3.49Å; E605-L616 WeakPolarHBondContact OE2-CB 3.15Å; E605-L616 PolarHBondContact OE2-N 3.47Å; G614-L616 VanDerWaalsContact C-N 3.29Å; G614-L616 PolarHBondContact O-N 2.98Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 2.95Å; L616-C619 WeakPolarHBondContact O-CB 3.16Å; L616-C619 PolarHBondContact O-N 2.87Å; L616-L620 HydrophobicContact CD1-CD1 3.97Å; L616-L620 HydrophobicContact CD1-CG 4.13Å; L616-L620 HydrophobicContact CG-CD1 4.06Å; L616-L620 WeakPolarHBondContact O-CG 3.37Å; L616-L620 PolarHBondContact O-N 2.77Å
617	F	98.7	Very high	97.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-68.9	-33.3	179	-76.4	-6.5	0	0	0	112.1	A453 F456 G602 L603 T613 G614 C619 L620 I621	A453-F617 HydrophobicContact CB-CD1 3.92Å; A453-F617 HydrophobicContact CB-CE1 4.17Å; F456-F617 HydrophobicContact CB-CD2 3.74Å; F456-F617 HydrophobicContact CB-CE2 3.87Å; G602-F617 VanDerWaalsContact C-CE2 3.45Å; L603-F617 HydrophobicContact CD2-CE2 4.13Å; L603-F617 HydrophobicContact CG-CE2 3.99Å; T613-F617 HydrophobicContact CG2-CB 4.08Å; G614-F617 PolarHBondContact O-N 2.92Å; F617-C619 VanDerWaalsContact C-N 3.29Å; F617-C619 PolarHBondContact O-N 3.4Å; F617-L620 HydrophobicContact CD1-CD1 4.36Å; F617-L620 PolarHBondContact O-N 2.94Å; F617-I621 HydrophobicContact CB-CD1 4.27Å; F617-I621 VanDerWaalsContact O-CB 3.22Å; F617-I621 WeakPolarHBondContact O-CB 3.37Å; F617-I621 WeakPolarHBondContact O-CG1 3.38Å; F617-I621 PolarHBondContact O-N 3.17Å
618	A	98.7	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-42.5	171	0	0	0	0	0	112.1	I422 L608 G614 L616 G622	I422-A618 HydrophobicContact CB-CB 4Å; I422-A618 HydrophobicContact CG2-CB 4.41Å; L608-A618 HydrophobicContact CD1-CB 3.86Å; G614-A618 WeakPolarHBondContact O-CB 3.19Å; G614-A618 PolarHBondContact O-N 2.82Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 2.95Å; A618-G622 WeakPolarHBondContact O-CA 3.46Å; A618-G622 PolarHBondContact O-N 3.26Å
619	C	98.9	Very high	97.6	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.027	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-51	174.9	165.1	0	0	0	0	112.9	C562 P615 L616 F617 G622 K623	C562-C619 VanDerWaalsContact CA-SG 3.57Å; C562-C619 HydrophobicContact CB-CB 3.72Å; C562-C619 WeakPolarHBondContact CB-SG 3.48Å; C562-C619 WeakPolarHBondContact SG-CB 3.38Å; C562-C619 CovalentContact SG-SG 2.04Å; C562-C619 PolarHBondContact SG-SG 2.73Å; P615-C619 WeakPolarHBondContact O-CB 3.26Å; P615-C619 PolarHBondContact O-N 2.93Å; L616-C619 WeakPolarHBondContact O-CB 3.16Å; L616-C619 PolarHBondContact O-N 2.87Å; F617-C619 VanDerWaalsContact C-N 3.29Å; F617-C619 PolarHBondContact O-N 3.4Å; C619-G622 PolarHBondContact O-N 2.78Å; C619-K623 WeakPolarHBondContact O-CB 3.45Å; C619-K623 VanDerWaalsContact O-CG 3.31Å; C619-K623 WeakPolarHBondContact O-CG 3.42Å; C619-K623 PolarHBondContact O-N 3.41Å
620	L	98.9	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-44.5	-175.5	-65.1	176.7	0	0	0	112.1	W146 V448 A453 W558 F561 L616 F617 Q624	W146-L620 HydrophobicContact CE3-CD2 4.18Å; W146-L620 HydrophobicContact CZ3-CD2 3.91Å; V448-L620 HydrophobicContact CG1-CD2 4.33Å; V448-L620 HydrophobicContact CG2-CD1 3.9Å; A453-L620 HydrophobicContact CB-CB 3.81Å; A453-L620 HydrophobicContact CB-CD1 4.12Å; W558-L620 HydrophobicContact CE3-CD2 3.82Å; W558-L620 HydrophobicContact CZ3-CD2 4.21Å; F561-L620 HydrophobicContact CD1-CD2 3.94Å; F561-L620 HydrophobicContact CE1-CD2 3.97Å; L616-L620 HydrophobicContact CD1-CD1 3.97Å; L616-L620 HydrophobicContact CD1-CG 4.13Å; L616-L620 HydrophobicContact CG-CD1 4.06Å; L616-L620 WeakPolarHBondContact O-CG 3.37Å; L616-L620 PolarHBondContact O-N 2.77Å; F617-L620 HydrophobicContact CD1-CD1 4.36Å; F617-L620 PolarHBondContact O-N 2.94Å; L620-Q624 PolarHBondContact O-N 2.75Å; L620-Q624 VanDerWaalsContact O-N 3.08Å
621	I	98.9	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.8	-47.2	176.4	-63	170.7	0	0	0	109.7	I418 V421 I422 F449 A453 F454 F456 T613 F617 K623 Q624 M625	I418-I621 HydrophobicContact CD1-CG2 4.33Å; V421-I621 HydrophobicContact CG1-CD1 4.25Å; I422-I621 HydrophobicContact CG2-CB 3.94Å; I422-I621 HydrophobicContact CG2-CG2 3.85Å; F449-I621 HydrophobicContact CE2-CG1 4.49Å; F449-I621 HydrophobicContact CE2-CG2 4.47Å; A453-I621 HydrophobicContact CB-CG1 4.12Å; F454-I621 HydrophobicContact CD2-CD1 4.17Å; F454-I621 HydrophobicContact CD2-CG1 4.13Å; F454-I621 HydrophobicContact CD2-CG2 4.18Å; F454-I621 HydrophobicContact CE2-CG2 4.15Å; F456-I621 HydrophobicContact CD1-CD1 3.73Å; F456-I621 HydrophobicContact CE1-CD1 3.8Å; T613-I621 HydrophobicContact CG2-CD1 4.09Å; F617-I621 HydrophobicContact CB-CD1 4.27Å; F617-I621 VanDerWaalsContact O-CB 3.22Å; F617-I621 WeakPolarHBondContact O-CB 3.37Å; F617-I621 WeakPolarHBondContact O-CG1 3.38Å; F617-I621 PolarHBondContact O-N 3.17Å; I621-K623 PolarHBondContact O-N 2.03Å; I621-Q624 PolarHBondContact O-N 3.28Å; I621-M625 HydrophobicContact CG2-CE 4.46Å; I621-M625 HydrophobicContact CG2-CG 4.14Å; I621-M625 WeakPolarHBondContact O-CB 3.45Å; I621-M625 VanDerWaalsContact O-CG 3.26Å; I621-M625 WeakPolarHBondContact O-CG 3.28Å; I621-M625 PolarHBondContact O-N 3.39Å
622	G	98.8	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-45.4	179.4	0	0	0	0	0	112.7	I431 A618 C619 M625 K626	I431-G622 VanDerWaalsContact CG1-O 3.29Å; I431-G622 WeakPolarHBondContact CG1-O 3.48Å; A618-G622 WeakPolarHBondContact O-CA 3.46Å; A618-G622 PolarHBondContact O-N 3.26Å; C619-G622 PolarHBondContact O-N 2.78Å; G622-M625 PolarHBondContact O-N 3.12Å; G622-K626 WeakPolarHBondContact O-CB 3.47Å; G622-K626 PolarHBondContact O-N 3.49Å
623	K	98.8	Very high	98.5	Very high	80 Å²	80	15.3 Å²	15.3	35%	0.348	7%	0.073	S	C	.	.	H	α-helix	trans	-61.6	-46.2	175.5	-77.1	174.2	175.3	-74.9	0	112.1	W146 F561 C619 I621 K626 L627	W146-K623 HydrophobicContact CH2-CB 3.85Å; W146-K623 HydrophobicContact CZ3-CB 4.14Å; F561-K623 HydrophobicContact CE1-CD 3.69Å; F561-K623 HydrophobicContact CZ-CD 4.16Å; C619-K623 WeakPolarHBondContact O-CB 3.45Å; C619-K623 VanDerWaalsContact O-CG 3.31Å; C619-K623 WeakPolarHBondContact O-CG 3.42Å; C619-K623 PolarHBondContact O-N 3.41Å; I621-K623 PolarHBondContact O-N 2.03Å; K623-K626 PolarHBondContact O-N 3.41Å; K623-L627 WeakPolarHBondContact O-CG 3.38Å; K623-L627 PolarHBondContact O-N 2.97Å; K623-L627 VanDerWaalsContact O-N 3.11Å
624	Q	98.9	Very high	98.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-49.2	178.6	-175.5	68.7	60.6	0	0	110.7	W146 S444 S446 F449 L620 I621 K626 L627 L628	W146-Q624 HydrophobicContact CH2-CB 3.94Å; W146-Q624 HydrophobicContact CZ2-CB 4.3Å; S444-Q624 PolarHBondContact O-NE2 3.34Å; S444-Q624 VanDerWaalsContact O-NE2 3.12Å; S446-Q624 VanDerWaalsContact CB-OE1 3.32Å; S446-Q624 PolarHBondContact OG-OE1 2.98Å; F449-Q624 HydrophobicContact CB-CB 4.26Å; F449-Q624 HydrophobicContact CB-CG 4.07Å; F449-Q624 HydrophobicContact CD1-CG 3.84Å; F449-Q624 HydrophobicContact CD2-CB 3.48Å; F449-Q624 VanDerWaalsContact CD2-CB 3.48Å; F449-Q624 HydrophobicContact CD2-CG 3.57Å; F449-Q624 HydrophobicContact CE1-CG 4.15Å; F449-Q624 HydrophobicContact CE2-CB 3.92Å; F449-Q624 HydrophobicContact CE2-CG 3.88Å; F449-Q624 HydrophobicContact CG-CB 3.89Å; F449-Q624 HydrophobicContact CG-CG 3.54Å; F449-Q624 HydrophobicContact CZ-CG 4.17Å; L620-Q624 PolarHBondContact O-N 2.75Å; L620-Q624 VanDerWaalsContact O-N 3.08Å; I621-Q624 PolarHBondContact O-N 3.28Å; Q624-K626 VanDerWaalsContact C-N 3.27Å; Q624-K626 PolarHBondContact O-N 2.91Å; Q624-L627 PolarHBondContact O-N 3.28Å; Q624-L628 HydrophobicContact CG-CD1 4.27Å; Q624-L628 HydrophobicContact CG-CG 4.24Å; Q624-L628 WeakPolarHBondContact O-CG 3.34Å; Q624-L628 PolarHBondContact O-N 3.47Å
625	M	98.8	Very high	98.6	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-35.5	-178.3	-67.6	-64.4	165.7	0	0	112.3	I291 M414 I418 I431 F449 F454 I621 G622 L628 R629	I291-M625 HydrophobicContact CD1-SD 4.35Å; M414-M625 HydrophobicContact CE-CB 4.24Å; M414-M625 HydrophobicContact SD-CB 3.97Å; M414-M625 HydrophobicContact SD-CG 4.49Å; M414-M625 HydrophobicContact SD-SD 4.44Å; I418-M625 HydrophobicContact CD1-CE 3.7Å; I418-M625 HydrophobicContact CD1-CG 3.83Å; I418-M625 HydrophobicContact CD1-SD 3.9Å; I418-M625 HydrophobicContact CG1-CG 4.12Å; I418-M625 HydrophobicContact CG1-SD 4.23Å; I418-M625 HydrophobicContact CG2-CG 4.47Å; I431-M625 HydrophobicContact CD1-CB 3.95Å; I431-M625 HydrophobicContact CG1-CB 4.45Å; F449-M625 HydrophobicContact CE2-CE 3.85Å; F449-M625 HydrophobicContact CZ-CE 3.62Å; F454-M625 HydrophobicContact CD2-CE 4.25Å; F454-M625 HydrophobicContact CE2-CE 3.59Å; F454-M625 HydrophobicContact CZ-CE 3.82Å; I621-M625 HydrophobicContact CG2-CE 4.46Å; I621-M625 HydrophobicContact CG2-CG 4.14Å; I621-M625 WeakPolarHBondContact O-CB 3.45Å; I621-M625 VanDerWaalsContact O-CG 3.26Å; I621-M625 WeakPolarHBondContact O-CG 3.28Å; I621-M625 PolarHBondContact O-N 3.39Å; G622-M625 PolarHBondContact O-N 3.12Å; M625-L628 HydrophobicContact SD-CD1 4.33Å; M625-R629 WeakPolarHBondContact O-CB 3.37Å; M625-R629 PolarHBondContact O-N 3.36Å; M625-R629 VanDerWaalsContact O-N 3.09Å
626	K	98.8	Very high	98.6	Very high	72 Å²	72	14.7 Å²	14.7	31%	0.313	7%	0.066	S	C	.	.	H	α-helix	trans	-62.9	-45.6	172	-175.1	172.4	176.4	61.4	0	112	H430 I431 G622 K623 Q624 R629 D630	H430-K626 WeakPolarHBondContact O-CD 3.28Å; I431-K626 HydrophobicContact CG1-CB 4.35Å; I431-K626 PolarHBondContact O-NZ 3.47Å; I431-K626 VanDerWaalsContact O-NZ 3.17Å; G622-K626 WeakPolarHBondContact O-CB 3.47Å; G622-K626 PolarHBondContact O-N 3.49Å; K623-K626 PolarHBondContact O-N 3.41Å; Q624-K626 VanDerWaalsContact C-N 3.27Å; Q624-K626 PolarHBondContact O-N 2.91Å; K626-R629 PolarHBondContact O-N 2.74Å; K626-D630 VanDerWaalsContact CE-OD2 3.26Å; K626-D630 WeakPolarHBondContact CE-OD2 2.95Å; K626-D630 VanDerWaalsContact CG-OD2 3.26Å; K626-D630 WeakPolarHBondContact CG-OD2 3.36Å; K626-D630 IonicContact NZ-OD2 2.74Å; K626-D630 PolarHBondContact NZ-OD2 3.12Å; K626-D630 WeakPolarHBondContact O-CB 3.34Å; K626-D630 PolarHBondContact O-N 3.3Å
627	L	98.8	Very high	98.6	Very high	49 Å²	49	18.1 Å²	18.1	26%	0.257	8%	0.082	S	C	.	.	H	α-helix	trans	-64.8	-41	178.8	-64.1	170.3	0	0	0	111.9	W146 V441 K623 Q624 R629 G631	W146-L627 HydrophobicContact CZ2-CD1 3.66Å; V441-L627 HydrophobicContact CG1-CB 4.29Å; V441-L627 HydrophobicContact CG1-CD2 3.6Å; K623-L627 WeakPolarHBondContact O-CG 3.38Å; K623-L627 PolarHBondContact O-N 2.97Å; K623-L627 VanDerWaalsContact O-N 3.11Å; Q624-L627 PolarHBondContact O-N 3.28Å; L627-R629 PolarHBondContact O-N 3.26Å; L627-G631 PolarHBondContact O-N 3.15Å
628	L	98.7	Very high	98.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-33	175.1	-63.9	-174.2	0	0	0	112.4	V209 S289 I291 S443 Q624 M625 D632	V209-L628 HydrophobicContact CG1-CD1 3.81Å; V209-L628 HydrophobicContact CG2-CD1 4.04Å; S289-L628 WeakPolarHBondContact O-CD2 2.99Å; I291-L628 HydrophobicContact CG1-CD1 4.45Å; S443-L628 WeakPolarHBondContact O-CD2 3.36Å; Q624-L628 HydrophobicContact CG-CD1 4.27Å; Q624-L628 HydrophobicContact CG-CG 4.24Å; Q624-L628 WeakPolarHBondContact O-CG 3.34Å; Q624-L628 PolarHBondContact O-N 3.47Å; M625-L628 HydrophobicContact SD-CD1 4.33Å; L628-D632 WeakPolarHBondContact O-CB 3.33Å
629	R	98.8	Very high	98.3	Very high	10 Å²	10	25.7 Å²	25.7	4%	0.038	12%	0.123	C	C	.	.	H	α-helix	trans	-79.4	-52.7	178.1	-173.1	-171.5	64.2	-174.8	-0.4	112.5	M414 I431 G432 P433 Y434 M625 K626 L627 W635	M414-R629 HydrophobicContact CE-CB 4.34Å; I431-R629 VanDerWaalsContact CG2-NH1 3.32Å; I431-R629 PolarHBondContact O-NH2 2.87Å; G432-R629 PolarHBondContact O-NH1 3.01Å; P433-R629 PolarHBondContact O-NH2 3.2Å; Y434-R629 HydrophobicContact CD2-CG 3.84Å; Y434-R629 HydrophobicContact CE2-CG 4.06Å; M625-R629 WeakPolarHBondContact O-CB 3.37Å; M625-R629 PolarHBondContact O-N 3.36Å; M625-R629 VanDerWaalsContact O-N 3.09Å; K626-R629 PolarHBondContact O-N 2.74Å; L627-R629 PolarHBondContact O-N 3.26Å; R629-W635 HydrophobicContact CB-CD2 4.42Å; R629-W635 HydrophobicContact CB-CE3 4.26Å; R629-W635 HydrophobicContact CB-CZ3 4.32Å; R629-W635 HydrophobicContact CG-CD2 3.54Å; R629-W635 VanDerWaalsContact CG-CE2 3.42Å; R629-W635 HydrophobicContact CG-CE3 3.85Å; R629-W635 HydrophobicContact CG-CG 4.09Å; R629-W635 HydrophobicContact CG-CH2 4.05Å; R629-W635 HydrophobicContact CG-CZ2 3.7Å; R629-W635 HydrophobicContact CG-CZ3 4.08Å
630	D	98.8	Very high	98	Very high	19 Å²	19	29.2 Å²	29.2	10%	0.102	16%	0.161	C	C	.	.	H	α-helix	trans	-77.7	-30.2	-168.8	-64.3	0.3	0	0	0	111.2	Y437 D438 K626	Y437-D630 WeakPolarHBondContact CD2-O 3.47Å; D438-D630 PolarHBondContact N-O 3.02Å; K626-D630 VanDerWaalsContact CE-OD2 3.26Å; K626-D630 WeakPolarHBondContact CE-OD2 2.95Å; K626-D630 VanDerWaalsContact CG-OD2 3.26Å; K626-D630 WeakPolarHBondContact CG-OD2 3.36Å; K626-D630 IonicContact NZ-OD2 2.74Å; K626-D630 PolarHBondContact NZ-OD2 3.12Å; K626-D630 WeakPolarHBondContact O-CB 3.34Å; K626-D630 PolarHBondContact O-N 3.3Å
631	G	98.4	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	5.1	176.2	0	0	0	0	0	115.1	N129 Y437 L627	N129-G631 PolarHBondContact OD1-O 3.43Å; Y437-G631 WeakPolarHBondContact CE2-O 3.33Å; L627-G631 PolarHBondContact O-N 3.15Å
632	D	98.6	Very high	97.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.166	C	C	.	.			trans	-100.7	106.9	-178.9	179.1	14.9	0	0	0	111.8	R122 N129 F290 Q410 L628 F634 W635	R122-D632 IonicContact CZ-OD1 3.18Å; R122-D632 IonicContact CZ-OD2 3.49Å; R122-D632 IonicContact NH1-OD1 2.7Å; R122-D632 PolarHBondContact NH1-OD1 2.94Å; R122-D632 IonicContact NH1-OD2 2.58Å; R122-D632 PolarHBondContact NH1-OD2 3.23Å; R122-D632 VanDerWaalsContact NH2-CG 3.3Å; R122-D632 IonicContact NH2-OD1 2.75Å; R122-D632 PolarHBondContact NH2-OD1 2.88Å; R122-D632 VanDerWaalsContact NH2-OD1 3.14Å; R122-D632 IonicContact NH2-OD2 3.17Å; R122-D632 PolarHBondContact NH2-OD2 2.93Å; N129-D632 PolarHBondContact ND2-OD1 2.53Å; F290-D632 HydrophobicContact CD1-CB 4.01Å; F290-D632 HydrophobicContact CE1-CB 4.32Å; Q410-D632 PolarHBondContact NE2-OD2 3.45Å; Q410-D632 VanDerWaalsContact NE2-OD2 3.09Å; L628-D632 WeakPolarHBondContact O-CB 3.33Å; D632-F634 PolarHBondContact O-N 2.89Å; D632-F634 PolarHBondContact OD1-N 3.28Å; D632-W635 HydrophobicContact CB-CB 4.34Å; D632-W635 WeakPolarHBondContact O-CB 3.39Å; D632-W635 PolarHBondContact O-N 3.32Å; D632-W635 PolarHBondContact OD2-N 3.48Å
633	R	97.5	Very high	97.7	Very high	36 Å²	36	33.6 Å²	33.6	14%	0.136	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.7	178.5	-176.3	168.5	60.6	85	-7.2	113.4	H118 C128 N129 Y437	H118-R633 PolarHBondContact O-NH1 3.19Å; H118-R633 PolarHBondContact O-NH2 3.23Å; C128-R633 PolarHBondContact O-NH2 2.92Å; N129-R633 WeakPolarHBondContact O-CB 2.97Å; N129-R633 WeakPolarHBondContact O-CD 3.41Å; N129-R633 PolarHBondContact O-NE 3.05Å; N129-R633 WeakPolarHBondContact OD1-CB 3.43Å; N129-R633 PolarHBondContact OD1-N 3.2Å; Y437-R633 HydrophobicContact CD1-CB 4.22Å; Y437-R633 HydrophobicContact CD1-CG 4.2Å; Y437-R633 HydrophobicContact CD2-CB 4.18Å; Y437-R633 HydrophobicContact CE1-CB 3.93Å; Y437-R633 HydrophobicContact CE1-CG 4Å; Y437-R633 HydrophobicContact CE2-CB 3.9Å; Y437-R633 HydrophobicContact CG-CB 4.33Å
634	F	97.9	Very high	97.6	Very high	15 Å²	15	35.9 Å²	35.9	7%	0.066	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	15.4	-177.2	-67.8	-78.4	0	0	0	112.3	H118 Y121 R122 D632 W636	H118-F634 VanDerWaalsContact O-CZ 3.31Å; H118-F634 WeakPolarHBondContact O-CZ 3.25Å; Y121-F634 WeakPolarHBondContact O-CZ 3.17Å; R122-F634 HydrophobicContact CG-CB 3.88Å; R122-F634 HydrophobicContact CG-CD1 4.25Å; R122-F634 HydrophobicContact CG-CD2 3.59Å; R122-F634 HydrophobicContact CG-CE2 4.02Å; R122-F634 HydrophobicContact CG-CG 3.68Å; R122-F634 HydrophobicContact CG-CZ 4.5Å; R122-F634 PolarHBondContact NH2-O 2.89Å; D632-F634 PolarHBondContact O-N 2.89Å; D632-F634 PolarHBondContact OD1-N 3.28Å; F634-W636 PolarHBondContact O-N 2.83Å
635	W	98.7	Very high	97.5	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.011	23%	0.228	C	C	.	.			trans	-51.1	136.6	170.5	-176.8	-106.7	0	0	0	109.8	Q410 M414 Y434 R629 D632 E637 A638	Q410-W635 HydrophobicContact CB-CE3 4.27Å; Q410-W635 HydrophobicContact CB-CH2 3.56Å; Q410-W635 HydrophobicContact CB-CZ2 4.31Å; Q410-W635 HydrophobicContact CB-CZ3 3.58Å; Q410-W635 HydrophobicContact CG-CE3 3.94Å; Q410-W635 HydrophobicContact CG-CH2 4.03Å; Q410-W635 HydrophobicContact CG-CZ3 3.48Å; Q410-W635 VanDerWaalsContact CG-CZ3 3.48Å; M414-W635 HydrophobicContact CB-CH2 4.12Å; M414-W635 HydrophobicContact CB-CZ2 4.41Å; M414-W635 HydrophobicContact CG-CH2 3.44Å; M414-W635 VanDerWaalsContact CG-CH2 3.44Å; M414-W635 HydrophobicContact CG-CZ2 4.1Å; M414-W635 HydrophobicContact CG-CZ3 4.35Å; Y434-W635 AromaticContact CD1-CD1 3.99Å; Y434-W635 AromaticContact CE1-CD1 3.62Å; Y434-W635 AromaticContact CE2-CD1 3.75Å; Y434-W635 HydrophobicContact CE2-CG 4.26Å; Y434-W635 AromaticContact CZ-CD1 3.47Å; Y434-W635 VanDerWaalsContact CZ-CD1 3.47Å; R629-W635 HydrophobicContact CB-CD2 4.42Å; R629-W635 HydrophobicContact CB-CE3 4.26Å; R629-W635 HydrophobicContact CB-CZ3 4.32Å; R629-W635 HydrophobicContact CG-CD2 3.54Å; R629-W635 VanDerWaalsContact CG-CE2 3.42Å; R629-W635 HydrophobicContact CG-CE3 3.85Å; R629-W635 HydrophobicContact CG-CG 4.09Å; R629-W635 HydrophobicContact CG-CH2 4.05Å; R629-W635 HydrophobicContact CG-CZ2 3.7Å; R629-W635 HydrophobicContact CG-CZ3 4.08Å; D632-W635 HydrophobicContact CB-CB 4.34Å; D632-W635 WeakPolarHBondContact O-CB 3.39Å; D632-W635 PolarHBondContact O-N 3.32Å; D632-W635 PolarHBondContact OD2-N 3.48Å; W635-E637 PolarHBondContact NE1-OE2 3.47Å; W635-E637 PolarHBondContact O-N 2.04Å; W635-A638 HydrophobicContact CB-CB 4.3Å; W635-A638 VanDerWaalsContact O-CB 3.25Å; W635-A638 WeakPolarHBondContact O-CB 3.28Å; W635-A638 PolarHBondContact O-N 2.92Å
636	W	98.4	Very high	97.5	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.045	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23	-168.7	77.1	-79.9	0	0	0	114.3	A407 I411 F634 F642 R647 L650 W651	A407-W636 HydrophobicContact CB-CB 3.7Å; I411-W636 HydrophobicContact CD1-CD2 3.76Å; I411-W636 HydrophobicContact CD1-CE3 3.91Å; I411-W636 HydrophobicContact CD1-CG 4.3Å; I411-W636 HydrophobicContact CD1-CH2 4.39Å; I411-W636 HydrophobicContact CD1-CZ2 4.24Å; I411-W636 HydrophobicContact CD1-CZ3 4.21Å; I411-W636 HydrophobicContact CG1-CD2 3.7Å; I411-W636 VanDerWaalsContact CG1-CE2 3.41Å; I411-W636 HydrophobicContact CG1-CE3 4.33Å; I411-W636 HydrophobicContact CG1-CG 4.05Å; I411-W636 HydrophobicContact CG1-CH2 4.46Å; I411-W636 HydrophobicContact CG1-CZ2 3.85Å; F634-W636 PolarHBondContact O-N 2.83Å; W636-F642 HydrophobicContact CB-CD2 4.21Å; W636-F642 HydrophobicContact CB-CE2 4.04Å; W636-R647 HydrophobicContact CE3-CG 4.29Å; W636-R647 HydrophobicContact CZ3-CB 4.05Å; W636-R647 HydrophobicContact CZ3-CG 4.18Å; W636-L650 HydrophobicContact CE3-CB 4.42Å; W636-L650 HydrophobicContact CE3-CD1 4.24Å; W636-W651 HydrophobicContact CH2-CB 4.5Å; W636-W651 HydrophobicContact CH2-CD2 4.44Å; W636-W651 AromaticContact CH2-CE3 3.56Å; W636-W651 HydrophobicContact CH2-CE3 3.56Å; W636-W651 HydrophobicContact CH2-CZ3 4.19Å; W636-W651 AromaticContact CZ2-CE3 3.73Å; W636-W651 HydrophobicContact CZ2-CE3 3.73Å; W636-W651 AromaticContact CZ2-CZ3 3.93Å; W636-W651 HydrophobicContact CZ2-CZ3 3.93Å
637	E	97.9	Very high	97.5	Very high	72 Å²	72	43.1 Å²	43.1	34%	0.336	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.9	175.5	-60.2	171.9	91.5	0	0	113.4	Y434 W635	Y434-E637 HydrophobicContact CD1-CB 3.67Å; Y434-E637 HydrophobicContact CE1-CB 3.8Å; W635-E637 PolarHBondContact NE1-OE2 3.47Å; W635-E637 PolarHBondContact O-N 2.04Å
638	A	97.3	Very high	97.4	Very high	6 Å²	6	45.1 Å²	45.1	5%	0.05	24%	0.239	C	C	.	.	S	Bend	trans	-65.7	145.5	-178	0	0	0	0	0	111.5	Y434 W635 G640 V641	Y434-A638 WeakPolarHBondContact OH-CB 3.33Å; W635-A638 HydrophobicContact CB-CB 4.3Å; W635-A638 VanDerWaalsContact O-CB 3.25Å; W635-A638 WeakPolarHBondContact O-CB 3.28Å; W635-A638 PolarHBondContact O-N 2.92Å; A638-G640 PolarHBondContact O-N 3.25Å; A638-V641 HydrophobicContact CB-CG2 3.81Å; A638-V641 WeakPolarHBondContact O-CB 3.12Å; A638-V641 PolarHBondContact O-N 3.16Å; A638-V641 VanDerWaalsContact O-N 3.17Å
639	D	94.4	Very high	97.4	Very high	155 Å²	155	46.6 Å²	46.6	83%	0.829	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	134.2	-176.8	-74.8	-31.8	0	0	0	111.8	V641	D639-V641 PolarHBondContact O-N 3.2Å
640	G	91.6	Very high	97.4	Very high	79 Å²	79	46.1 Å²	46.1	81%	0.814	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	-7.5	-179	0	0	0	0	0	115.3	A638	A638-G640 PolarHBondContact O-N 3.25Å
641	V	96.1	Very high	97.3	Very high	12 Å²	12	51.9 Å²	51.9	7%	0.073	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-54.4	176.9	-178.2	0	0	0	0	110.7	K403 A638 D639	K403-V641 WeakPolarHBondContact CE-O 3.21Å; K403-V641 PolarHBondContact NZ-O 3.4Å; A638-V641 HydrophobicContact CB-CG2 3.81Å; A638-V641 WeakPolarHBondContact O-CB 3.12Å; A638-V641 PolarHBondContact O-N 3.16Å; A638-V641 VanDerWaalsContact O-N 3.17Å; D639-V641 PolarHBondContact O-N 3.2Å
642	F	97.5	Very high	97.1	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.035	28%	0.284	C	S	.	.	S	Bend	trans	-127.3	150.4	173.9	-70.3	-77.9	0	0	0	110.4	K403 A407 W636 Q646 R647 L650 W696	K403-F642 HydrophobicContact CD-CE1 4.11Å; K403-F642 HydrophobicContact CD-CZ 4.1Å; K403-F642 HydrophobicContact CG-CE1 4.08Å; K403-F642 HydrophobicContact CG-CE2 4.34Å; K403-F642 HydrophobicContact CG-CZ 3.63Å; A407-F642 HydrophobicContact CB-CE2 3.64Å; A407-F642 HydrophobicContact CB-CZ 3.79Å; W636-F642 HydrophobicContact CB-CD2 4.21Å; W636-F642 HydrophobicContact CB-CE2 4.04Å; F642-Q646 HydrophobicContact CB-CB 3.95Å; F642-Q646 HydrophobicContact CD1-CB 4.04Å; F642-Q646 HydrophobicContact CG-CB 4.4Å; F642-R647 HydrophobicContact CB-CG 3.83Å; F642-R647 PolarHBondContact O-NH1 3.48Å; F642-L650 HydrophobicContact CD1-CD1 3.98Å; F642-L650 HydrophobicContact CD2-CD1 3.76Å; F642-L650 HydrophobicContact CE1-CD1 4Å; F642-L650 HydrophobicContact CE2-CD1 3.79Å; F642-L650 HydrophobicContact CG-CD1 3.84Å; F642-L650 HydrophobicContact CZ-CD1 3.87Å; F642-W696 AromaticContact CD1-CZ2 3.81Å; F642-W696 HydrophobicContact CD1-CZ2 3.81Å; F642-W696 AromaticContact CE1-CZ2 3.72Å; F642-W696 HydrophobicContact CE1-CZ2 3.72Å
643	T	97.1	Very high	97	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.442	29%	0.285	S	S	.	.			trans	-68.2	162.7	170.7	73.5	0	0	0	0	110.7	Q645 Q646 R647	T643-Q645 VanDerWaalsContact C-N 3.3Å; T643-Q645 PolarHBondContact O-N 3.15Å; T643-Q646 WeakPolarHBondContact O-CB 3.29Å; T643-Q646 PolarHBondContact O-N 3.38Å; T643-Q646 VanDerWaalsContact OG1-CG 3.29Å; T643-Q646 WeakPolarHBondContact OG1-CG 3.41Å; T643-Q646 PolarHBondContact OG1-N 2.03Å; T643-R647 WeakPolarHBondContact O-CG 3.32Å; T643-R647 PolarHBondContact O-N 3.22Å
644	Q	96.9	Very high	97	Very high	128 Å²	128	55.6 Å²	55.6	60%	0.598	28%	0.283	S	S	*	.	H	α-helix	trans	-56.7	-43.7	176.6	-178.3	179.9	-8.4	0	0	112.3	Q646 R647 E648	Q644-Q646 VanDerWaalsContact C-N 3.32Å; Q644-Q646 PolarHBondContact O-N 3.17Å; Q644-R647 PolarHBondContact O-N 2.99Å; Q644-E648 PolarHBondContact NE2-OE1 3.1Å; Q644-E648 WeakPolarHBondContact O-CG 3.32Å; Q644-E648 PolarHBondContact O-N 2.79Å
645	Q	97.4	Very high	97	Very high	131 Å²	131	55 Å²	55	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-62.5	-40.4	178.5	-65.2	179	11.4	0	0	111.7	T643 E648 Q649 A695	T643-Q645 VanDerWaalsContact C-N 3.3Å; T643-Q645 PolarHBondContact O-N 3.15Å; Q645-E648 PolarHBondContact O-N 2.8Å; Q645-Q649 WeakPolarHBondContact O-CG 3.08Å; Q645-Q649 PolarHBondContact O-N 3.21Å; Q645-A695 HydrophobicContact CB-CB 4.13Å
646	Q	98.4	Very high	97	Very high	24 Å²	24	54.8 Å²	54.8	11%	0.112	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-45.3	175.3	-71.7	171.4	-20.6	0	0	111.3	F642 T643 Q644 E648 Q649 L650 A695 W696	F642-Q646 HydrophobicContact CB-CB 3.95Å; F642-Q646 HydrophobicContact CD1-CB 4.04Å; F642-Q646 HydrophobicContact CG-CB 4.4Å; T643-Q646 WeakPolarHBondContact O-CB 3.29Å; T643-Q646 PolarHBondContact O-N 3.38Å; T643-Q646 VanDerWaalsContact OG1-CG 3.29Å; T643-Q646 WeakPolarHBondContact OG1-CG 3.41Å; T643-Q646 PolarHBondContact OG1-N 2.03Å; Q644-Q646 VanDerWaalsContact C-N 3.32Å; Q644-Q646 PolarHBondContact O-N 3.17Å; Q646-E648 VanDerWaalsContact C-N 3.33Å; Q646-E648 PolarHBondContact O-N 3.2Å; Q646-Q649 PolarHBondContact O-N 2.83Å; Q646-Q649 VanDerWaalsContact O-N 3.11Å; Q646-L650 WeakPolarHBondContact O-CG 2.95Å; Q646-L650 PolarHBondContact O-N 3.01Å; Q646-A695 HydrophobicContact CG-CB 4.03Å; Q646-A695 VanDerWaalsContact CG-O 3.25Å; Q646-A695 WeakPolarHBondContact CG-O 3.5Å; Q646-A695 PolarHBondContact NE2-O 3.44Å; Q646-W696 HydrophobicContact CB-CH2 3.64Å; Q646-W696 HydrophobicContact CB-CZ2 3.66Å; Q646-W696 HydrophobicContact CB-CZ3 4.13Å; Q646-W696 HydrophobicContact CG-CD2 3.78Å; Q646-W696 HydrophobicContact CG-CE3 3.93Å; Q646-W696 HydrophobicContact CG-CG 4.46Å; Q646-W696 HydrophobicContact CG-CH2 3.83Å; Q646-W696 HydrophobicContact CG-CZ2 3.68Å; Q646-W696 HydrophobicContact CG-CZ3 3.95Å
647	R	98.3	Very high	97	Very high	70 Å²	70	55.5 Å²	55.5	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-59.7	-41.5	176.8	-69.7	-168.7	-58	-106.6	11.8	112.4	W636 F642 T643 Q644 Q649 L650 W651	W636-R647 HydrophobicContact CE3-CG 4.29Å; W636-R647 HydrophobicContact CZ3-CB 4.05Å; W636-R647 HydrophobicContact CZ3-CG 4.18Å; F642-R647 HydrophobicContact CB-CG 3.83Å; F642-R647 PolarHBondContact O-NH1 3.48Å; T643-R647 WeakPolarHBondContact O-CG 3.32Å; T643-R647 PolarHBondContact O-N 3.22Å; Q644-R647 PolarHBondContact O-N 2.99Å; R647-Q649 VanDerWaalsContact C-N 3.27Å; R647-Q649 PolarHBondContact O-N 2.86Å; R647-L650 PolarHBondContact O-N 3.16Å; R647-W651 WeakPolarHBondContact O-CB 3.31Å; R647-W651 PolarHBondContact O-N 3.2Å
648	E	97.4	Very high	97	Very high	92 Å²	92	52.1 Å²	52.1	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-33.3	175.8	-73.6	172.5	-166.4	0	0	112.8	Q644 Q645 Q646 K652	Q644-E648 PolarHBondContact NE2-OE1 3.1Å; Q644-E648 WeakPolarHBondContact O-CG 3.32Å; Q644-E648 PolarHBondContact O-N 2.79Å; Q645-E648 PolarHBondContact O-N 2.8Å; Q646-E648 VanDerWaalsContact C-N 3.33Å; Q646-E648 PolarHBondContact O-N 3.2Å; E648-K652 WeakPolarHBondContact O-CD 3.06Å; E648-K652 VanDerWaalsContact O-CE 3.3Å; E648-K652 WeakPolarHBondContact O-CE 3.04Å; E648-K652 WeakPolarHBondContact O-CG 3.25Å
649	Q	97.8	Very high	97.1	Very high	33 Å²	33	51.9 Å²	51.9	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-76.5	-44.4	175.3	-64.8	-58	-37.3	0	0	111.7	Q645 Q646 R647 W651 K652 T653 L691 A695 W696	Q645-Q649 WeakPolarHBondContact O-CG 3.08Å; Q645-Q649 PolarHBondContact O-N 3.21Å; Q646-Q649 PolarHBondContact O-N 2.83Å; Q646-Q649 VanDerWaalsContact O-N 3.11Å; R647-Q649 VanDerWaalsContact C-N 3.27Å; R647-Q649 PolarHBondContact O-N 2.86Å; Q649-W651 VanDerWaalsContact C-N 3.32Å; Q649-W651 PolarHBondContact O-N 3.04Å; Q649-K652 VanDerWaalsContact NE2-NZ 3.19Å; Q649-K652 PolarHBondContact O-N 3.3Å; Q649-T653 PolarHBondContact O-OG1 2.85Å; Q649-L691 VanDerWaalsContact C-CD1 3.41Å; Q649-L691 HydrophobicContact CB-CD1 3.66Å; Q649-L691 WeakPolarHBondContact O-CD1 3.4Å; Q649-A695 HydrophobicContact CG-CB 3.97Å; Q649-W696 HydrophobicContact CB-CZ3 4.1Å
650	L	98.4	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-46.3	176.3	-70.6	170.2	0	0	0	111.3	I404 A407 L408 I411 W636 F642 Q646 R647 K652 T653 L691 W696	I404-L650 HydrophobicContact CG2-CD2 4.12Å; A407-L650 HydrophobicContact CB-CD1 3.99Å; A407-L650 HydrophobicContact CB-CD2 4.18Å; L408-L650 HydrophobicContact CD2-CD2 4.23Å; I411-L650 HydrophobicContact CD1-CB 3.69Å; W636-L650 HydrophobicContact CE3-CB 4.42Å; W636-L650 HydrophobicContact CE3-CD1 4.24Å; F642-L650 HydrophobicContact CD1-CD1 3.98Å; F642-L650 HydrophobicContact CD2-CD1 3.76Å; F642-L650 HydrophobicContact CE1-CD1 4Å; F642-L650 HydrophobicContact CE2-CD1 3.79Å; F642-L650 HydrophobicContact CG-CD1 3.84Å; F642-L650 HydrophobicContact CZ-CD1 3.87Å; Q646-L650 WeakPolarHBondContact O-CG 2.95Å; Q646-L650 PolarHBondContact O-N 3.01Å; R647-L650 PolarHBondContact O-N 3.16Å; L650-K652 PolarHBondContact O-N 3.01Å; L650-T653 WeakPolarHBondContact O-CB 3.21Å; L650-T653 PolarHBondContact O-N 3.23Å; L650-L691 HydrophobicContact CD2-CD1 4.47Å; L650-W696 HydrophobicContact CD1-CH2 4.43Å; L650-W696 HydrophobicContact CD1-CZ2 4.4Å; L650-W696 HydrophobicContact CD2-CH2 4.06Å; L650-W696 HydrophobicContact CD2-CZ2 4.3Å; L650-W696 HydrophobicContact CG-CH2 3.9Å; L650-W696 HydrophobicContact CG-CZ2 4.28Å
651	W	97.1	Very high	97.5	Very high	141 Å²	141	44.2 Å²	44.2	53%	0.534	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-27.7	-178.7	-174	-106.2	0	0	0	113.9	R415 W636 R647 Q649 T653	R415-W651 HydrophobicContact CG-CH2 3.87Å; R415-W651 HydrophobicContact CG-CZ3 4.21Å; R415-W651 PolarHBondContact NH1-O 2.76Å; W636-W651 HydrophobicContact CH2-CB 4.5Å; W636-W651 HydrophobicContact CH2-CD2 4.44Å; W636-W651 AromaticContact CH2-CE3 3.56Å; W636-W651 HydrophobicContact CH2-CE3 3.56Å; W636-W651 HydrophobicContact CH2-CZ3 4.19Å; W636-W651 AromaticContact CZ2-CE3 3.73Å; W636-W651 HydrophobicContact CZ2-CE3 3.73Å; W636-W651 AromaticContact CZ2-CZ3 3.93Å; W636-W651 HydrophobicContact CZ2-CZ3 3.93Å; R647-W651 WeakPolarHBondContact O-CB 3.31Å; R647-W651 PolarHBondContact O-N 3.2Å; Q649-W651 VanDerWaalsContact C-N 3.32Å; Q649-W651 PolarHBondContact O-N 3.04Å; W651-T653 VanDerWaalsContact C-N 3.29Å; W651-T653 PolarHBondContact O-N 3.46Å
652	K	94.9	Very high	97.6	Very high	98 Å²	98	43.9 Å²	43.9	43%	0.426	20%	0.202	S	C	.	.	H	α-helix	trans	-74.8	-19.7	177.7	-68.1	166.4	-169.1	170.1	0	113.2	E648 Q649 L650 P689	E648-K652 WeakPolarHBondContact O-CD 3.06Å; E648-K652 VanDerWaalsContact O-CE 3.3Å; E648-K652 WeakPolarHBondContact O-CE 3.04Å; E648-K652 WeakPolarHBondContact O-CG 3.25Å; Q649-K652 VanDerWaalsContact NE2-NZ 3.19Å; Q649-K652 PolarHBondContact O-N 3.3Å; L650-K652 PolarHBondContact O-N 3.01Å; K652-P689 HydrophobicContact CB-CB 4.36Å
653	T	95.4	Very high	97.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	20%	0.203	C	C	.	.			trans	-78	148.7	-172.7	-52.8	0	0	0	0	110.8	L408 R415 Q649 L650 W651 R657 I658 L691	L408-T653 HydrophobicContact CD1-CG2 4.38Å; L408-T653 HydrophobicContact CD2-CG2 3.59Å; R415-T653 PolarHBondContact NH1-O 2.66Å; R415-T653 PolarHBondContact NH2-O 3.36Å; Q649-T653 PolarHBondContact O-OG1 2.85Å; L650-T653 WeakPolarHBondContact O-CB 3.21Å; L650-T653 PolarHBondContact O-N 3.23Å; W651-T653 VanDerWaalsContact C-N 3.29Å; W651-T653 PolarHBondContact O-N 3.46Å; T653-R657 HydrophobicContact CG2-CG 4.46Å; T653-I658 HydrophobicContact CG2-CD1 3.93Å; T653-I658 HydrophobicContact CG2-CG1 4.4Å; T653-L691 WeakPolarHBondContact OG1-CB 3.39Å
654	S	97.8	Very high	97.5	Very high	15 Å²	15	42.6 Å²	42.6	11%	0.105	19%	0.193	C	C	.	.			trans	-137.7	158.7	179.2	62.7	0	0	0	0	110.5	S656 R657 I658	S654-S656 PolarHBondContact O-N 3.11Å; S654-R657 WeakPolarHBondContact O-CB 3.4Å; S654-R657 PolarHBondContact O-N 2.89Å; S654-R657 PolarHBondContact OG-N 3.31Å; S654-I658 PolarHBondContact O-N 3.37Å; S654-I658 VanDerWaalsContact O-N 3.16Å
655	L	98.6	Very high	97.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-32	172.7	-176.1	54.7	0	0	0	111.8	L197 W201 W374 I412 R657 I658 I659 P672 F673	L197-L655 HydrophobicContact CD1-CD2 4.44Å; L197-L655 HydrophobicContact CD2-CD2 3.74Å; L197-L655 HydrophobicContact CD2-CG 4.46Å; L197-L655 HydrophobicContact CG-CD2 4.31Å; W201-L655 HydrophobicContact CD2-CD2 4.44Å; W201-L655 HydrophobicContact CE3-CD2 3.76Å; W201-L655 HydrophobicContact CZ3-CD1 4.07Å; W201-L655 HydrophobicContact CZ3-CD2 4.01Å; W374-L655 HydrophobicContact CZ2-CD1 4.21Å; I412-L655 HydrophobicContact CD1-CB 4.02Å; I412-L655 HydrophobicContact CD1-CD1 4.41Å; I412-L655 HydrophobicContact CG1-CB 4.45Å; I412-L655 HydrophobicContact CG2-CB 4.25Å; I412-L655 HydrophobicContact CG2-CD2 4.39Å; L655-R657 VanDerWaalsContact C-N 3.35Å; L655-R657 PolarHBondContact O-N 2.89Å; L655-I658 HydrophobicContact CD1-CB 4.47Å; L655-I658 PolarHBondContact O-N 2.79Å; L655-I659 HydrophobicContact CG-CD1 4.17Å; L655-I659 WeakPolarHBondContact O-CG1 3.02Å; L655-I659 PolarHBondContact O-N 2.82Å; L655-P672 HydrophobicContact CB-CG 3.92Å; L655-P672 HydrophobicContact CD2-CG 4.36Å; L655-P672 HydrophobicContact CG-CG 4.2Å; L655-F673 HydrophobicContact CD2-CE1 3.93Å; L655-F673 HydrophobicContact CD2-CE2 4.43Å; L655-F673 HydrophobicContact CD2-CZ 3.66Å
656	S	98.6	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-41.6	172.9	-65.5	0	0	0	0	112.7	S654 I659 C660 P669 P672	S654-S656 PolarHBondContact O-N 3.11Å; S656-I659 PolarHBondContact O-N 3.09Å; S656-C660 PolarHBondContact O-N 3.14Å; S656-C660 PolarHBondContact O-SG 3.5Å; S656-P669 WeakPolarHBondContact CB-O 3.46Å; S656-P669 PolarHBondContact OG-O 2.95Å; S656-P672 WeakPolarHBondContact OG-CB 3.33Å; S656-P672 WeakPolarHBondContact OG-CD 3.4Å; S656-P672 VanDerWaalsContact OG-CG 3.32Å; S656-P672 WeakPolarHBondContact OG-CG 3.48Å
657	R	98.2	Very high	97.4	Very high	27 Å²	27	38.8 Å²	38.8	10%	0.102	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-44	174.7	173.4	51.1	65.6	-171.4	7.6	111.2	T653 S654 L655 I659 C660 E661 C685 V688 P689	T653-R657 HydrophobicContact CG2-CG 4.46Å; S654-R657 WeakPolarHBondContact O-CB 3.4Å; S654-R657 PolarHBondContact O-N 2.89Å; S654-R657 PolarHBondContact OG-N 3.31Å; L655-R657 VanDerWaalsContact C-N 3.35Å; L655-R657 PolarHBondContact O-N 2.89Å; R657-I659 VanDerWaalsContact C-N 3.32Å; R657-I659 PolarHBondContact O-N 2.6Å; R657-C660 WeakPolarHBondContact O-CB 3.3Å; R657-C660 PolarHBondContact O-N 2.97Å; R657-E661 VanDerWaalsContact CD-CD 3.49Å; R657-E661 WeakPolarHBondContact CD-OE1 3.33Å; R657-E661 IonicContact NH1-OE1 3.23Å; R657-E661 PolarHBondContact O-N 2.82Å; R657-C685 PolarHBondContact NH1-O 2.8Å; R657-C685 PolarHBondContact NH2-O 2.71Å; R657-V688 HydrophobicContact CB-CG1 3.8Å; R657-V688 PolarHBondContact NH2-O 3.02Å; R657-P689 VanDerWaalsContact CG-O 3.26Å; R657-P689 WeakPolarHBondContact CG-O 3.27Å; R657-P689 PolarHBondContact NE-O 3.29Å
658	I	98.5	Very high	97.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.8	177.5	-56.3	-54.3	0	0	0	111.2	W374 E377 L408 T653 S654 L655 E661 N662	W374-I658 HydrophobicContact CE3-CG2 4.43Å; W374-I658 HydrophobicContact CH2-CG1 4.02Å; W374-I658 HydrophobicContact CH2-CG2 4.35Å; W374-I658 HydrophobicContact CZ3-CD1 4.5Å; W374-I658 HydrophobicContact CZ3-CG1 4.3Å; W374-I658 HydrophobicContact CZ3-CG2 4.29Å; E377-I658 HydrophobicContact CB-CG2 4.27Å; E377-I658 HydrophobicContact CG-CD1 4.04Å; E377-I658 HydrophobicContact CG-CG2 4.36Å; L408-I658 HydrophobicContact CD1-CD1 3.97Å; T653-I658 HydrophobicContact CG2-CD1 3.93Å; T653-I658 HydrophobicContact CG2-CG1 4.4Å; S654-I658 PolarHBondContact O-N 3.37Å; S654-I658 VanDerWaalsContact O-N 3.16Å; L655-I658 HydrophobicContact CD1-CB 4.47Å; L655-I658 PolarHBondContact O-N 2.79Å; I658-E661 PolarHBondContact O-N 3.26Å; I658-N662 WeakPolarHBondContact O-CB 3.43Å; I658-N662 PolarHBondContact O-N 2.85Å; I658-N662 PolarHBondContact O-ND2 2.82Å
659	I	98.7	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-45.9	175	-70.2	164.6	0	0	0	111.2	L197 L373 L503 V507 L655 S656 R657 E661 N662 S663 I665 I668	L197-I659 HydrophobicContact CD2-CD1 4.44Å; L373-I659 HydrophobicContact CD1-CG1 4.03Å; L503-I659 HydrophobicContact CD1-CD1 4.1Å; L503-I659 HydrophobicContact CD1-CG1 4.22Å; L503-I659 HydrophobicContact CD2-CG1 4.4Å; L503-I659 HydrophobicContact CD2-CG2 3.79Å; L503-I659 HydrophobicContact CG-CG2 4.32Å; V507-I659 HydrophobicContact CG1-CD1 4.1Å; L655-I659 HydrophobicContact CG-CD1 4.17Å; L655-I659 WeakPolarHBondContact O-CG1 3.02Å; L655-I659 PolarHBondContact O-N 2.82Å; S656-I659 PolarHBondContact O-N 3.09Å; R657-I659 VanDerWaalsContact C-N 3.32Å; R657-I659 PolarHBondContact O-N 2.6Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 2.85Å; I659-N662 PolarHBondContact O-N 2.82Å; I659-S663 WeakPolarHBondContact O-CB 3.35Å; I659-S663 PolarHBondContact O-N 2.9Å; I659-S663 VanDerWaalsContact O-N 3.1Å; I659-S663 PolarHBondContact O-OG 3.38Å; I659-I665 HydrophobicContact CG2-CB 4.25Å; I659-I665 HydrophobicContact CG2-CD1 3.92Å; I659-I668 HydrophobicContact CB-CD1 3.59Å; I659-I668 HydrophobicContact CD1-CD1 3.8Å; I659-I668 HydrophobicContact CG1-CD1 4.3Å; I659-I668 HydrophobicContact CG2-CD1 3.41Å; I659-I668 VanDerWaalsContact CG2-CD1 3.41Å
660	C	98.3	Very high	97.3	Very high	16 Å²	16	32.8 Å²	32.8	11%	0.108	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-39.7	178.1	-74.5	0	0	0	0	113.2	S656 R657 I668 C685	S656-C660 PolarHBondContact O-N 3.14Å; S656-C660 PolarHBondContact O-SG 3.5Å; R657-C660 WeakPolarHBondContact O-CB 3.3Å; R657-C660 PolarHBondContact O-N 2.97Å; C660-I668 VanDerWaalsContact SG-CG2 3.57Å; C660-C685 HydrophobicContact CB-CB 3.61Å; C660-C685 WeakPolarHBondContact CB-SG 3.3Å; C660-C685 VanDerWaalsContact SG-CA 3.53Å; C660-C685 WeakPolarHBondContact SG-CB 3.42Å; C660-C685 CovalentContact SG-SG 2.03Å; C660-C685 PolarHBondContact SG-SG 3.43Å
661	E	97.3	Very high	97.3	Very high	57 Å²	57	34.7 Å²	34.7	27%	0.266	17%	0.172	S	C	.	.	H	α-helix	trans	-79.8	-19.7	-176.7	-71.8	-177.3	161.3	0	0	113.3	R380 R657 I658 I659	R380-E661 IonicContact CZ-OE2 2.66Å; R380-E661 IonicContact NE-OE2 3.44Å; R380-E661 PolarHBondContact NE-OE2 3.49Å; R380-E661 IonicContact NH1-OE2 2.91Å; R380-E661 IonicContact NH2-OE2 3.22Å; R380-E661 PolarHBondContact NH2-OE2 3.46Å; R657-E661 VanDerWaalsContact CD-CD 3.49Å; R657-E661 WeakPolarHBondContact CD-OE1 3.33Å; R657-E661 IonicContact NH1-OE1 3.23Å; R657-E661 PolarHBondContact O-N 2.82Å; I658-E661 PolarHBondContact O-N 3.26Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 2.85Å
662	N	98.1	Very high	97.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.032	15%	0.148	C	C	.	.	H	α-helix	trans	-121.9	11.5	-170.3	-62.5	-74.1	0	0	0	114.3	L373 R376 E377 I658 I659	L373-N662 HydrophobicContact CD2-CB 3.77Å; R376-N662 HydrophobicContact CB-CB 3.9Å; R376-N662 VanDerWaalsContact CB-OD1 3.27Å; R376-N662 WeakPolarHBondContact CB-OD1 3.48Å; R376-N662 WeakPolarHBondContact CD-O 3.39Å; R376-N662 PolarHBondContact NH1-O 3.25Å; R376-N662 PolarHBondContact O-OD1 3.34Å; E377-N662 WeakPolarHBondContact CA-OD1 3.21Å; E377-N662 PolarHBondContact N-OD1 3.07Å; E377-N662 VanDerWaalsContact N-OD1 3.16Å; E377-N662 PolarHBondContact OE2-ND2 2.91Å; I658-N662 WeakPolarHBondContact O-CB 3.43Å; I658-N662 PolarHBondContact O-N 2.85Å; I658-N662 PolarHBondContact O-ND2 2.82Å; I659-N662 PolarHBondContact O-N 2.82Å
663	S	97.3	Very high	97.5	Very high	7 Å²	7	23.5 Å²	23.5	5%	0.049	13%	0.127	C	C	.	.	S	Bend	trans	-146.6	177.1	177.4	78.1	0	0	0	0	112.3	R329 I659 I665	R329-S663 PolarHBondContact NH1-O 3.37Å; I659-S663 WeakPolarHBondContact O-CB 3.35Å; I659-S663 PolarHBondContact O-N 2.9Å; I659-S663 VanDerWaalsContact O-N 3.1Å; I659-S663 PolarHBondContact O-OG 3.38Å; S663-I665 VanDerWaalsContact C-N 3.3Å; S663-I665 PolarHBondContact OG-N 3.49Å
664	D	94.3	Very high	97.6	Very high	45 Å²	45	29.5 Å²	29.5	24%	0.241	15%	0.15	C	C	.	.	S	Bend	trans	-85.9	3.3	174.3	-65.8	-34.9	0	0	0	114.2	Q327 R329 E500 Q666	Q327-D664 PolarHBondContact NE2-OD2 3.02Å; Q327-D664 PolarHBondContact OE1-OD2 3.35Å; Q327-D664 VanDerWaalsContact OE1-OD2 3.09Å; R329-D664 IonicContact CZ-OD1 2.7Å; R329-D664 VanDerWaalsContact CZ-OD1 3.22Å; R329-D664 IonicContact CZ-OD2 3.74Å; R329-D664 VanDerWaalsContact NH1-N 3.18Å; R329-D664 IonicContact NH1-OD1 2.75Å; R329-D664 PolarHBondContact NH1-OD1 3.46Å; R329-D664 IonicContact NH1-OD2 2.86Å; R329-D664 IonicContact NH2-OD1 3.9Å; R329-D664 PolarHBondContact NH2-OD1 3.04Å; R329-D664 IonicContact NH2-OD2 3.87Å; R329-D664 PolarHBondContact NH2-OD2 3.5Å; E500-D664 HydrophobicContact CG-CB 4.16Å; D664-Q666 PolarHBondContact O-N 2.69Å; D664-Q666 PolarHBondContact O-NE2 3.41Å
665	I	96.7	Very high	97.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	16%	0.158	C	C	.	.			trans	-67.7	120.4	179.9	-64.5	178.9	0	0	0	108.6	F472 L503 R504 I659 S663 E667 I668 C685	F472-I665 HydrophobicContact CZ-CG2 4.25Å; L503-I665 HydrophobicContact CB-CD1 4.21Å; L503-I665 HydrophobicContact CD2-CD1 3.79Å; L503-I665 HydrophobicContact CG-CD1 3.69Å; R504-I665 HydrophobicContact CG-CD1 3.69Å; R504-I665 HydrophobicContact CG-CG1 3.97Å; I659-I665 HydrophobicContact CG2-CB 4.25Å; I659-I665 HydrophobicContact CG2-CD1 3.92Å; S663-I665 VanDerWaalsContact C-N 3.3Å; S663-I665 PolarHBondContact OG-N 3.49Å; I665-E667 WeakPolarHBondContact CG2-O 3.46Å; I665-I668 HydrophobicContact CG2-CB 4.44Å; I665-C685 PolarHBondContact O-SG 2.94Å
666	Q	96.3	Very high	97.5	Very high	133 Å²	133	32.2 Å²	32.2	62%	0.621	17%	0.166	S	C	*	.			trans	-98.2	-19.8	-178.2	-61.7	-56.9	-47.2	0	0	113.4	D664 P684 C685	D664-Q666 PolarHBondContact O-N 2.69Å; D664-Q666 PolarHBondContact O-NE2 3.41Å; Q666-P684 CarbonylContact O-C 3.53Å; Q666-P684 WeakPolarHBondContact O-CA 3.38Å; Q666-C685 VanDerWaalsContact C-SG 3.57Å; Q666-C685 PolarHBondContact O-N 2.82Å; Q666-C685 PolarHBondContact O-SG 3.04Å
667	E	97.9	Very high	97.1	Very high	68 Å²	68	42.3 Å²	42.3	32%	0.318	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.8	179.9	-62.8	-177.3	110.8	0	0	109.1	F472 I665 Y678 F682 L683	F472-E667 WeakPolarHBondContact CZ-O 3.47Å; I665-E667 WeakPolarHBondContact CG2-O 3.46Å; E667-Y678 HydrophobicContact CB-CE2 4.38Å; E667-Y678 VanDerWaalsContact OE2-CE2 3.25Å; E667-Y678 WeakPolarHBondContact OE2-CE2 3.34Å; E667-Y678 PolarHBondContact OE2-OH 3.49Å; E667-F682 HydrophobicContact CB-CB 4.35Å; E667-F682 HydrophobicContact CB-CD1 4.42Å; E667-L683 CarbonylContact C-O 3.33Å; E667-L683 VanDerWaalsContact CA-O 3.27Å; E667-L683 WeakPolarHBondContact CA-O 3.2Å
668	I	97.9	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.3	-173.7	-164.4	155.7	0	0	0	111.2	I659 C660 I665 L683 V688	I659-I668 HydrophobicContact CB-CD1 3.59Å; I659-I668 HydrophobicContact CD1-CD1 3.8Å; I659-I668 HydrophobicContact CG1-CD1 4.3Å; I659-I668 HydrophobicContact CG2-CD1 3.41Å; I659-I668 VanDerWaalsContact CG2-CD1 3.41Å; C660-I668 VanDerWaalsContact SG-CG2 3.57Å; I665-I668 HydrophobicContact CG2-CB 4.44Å; I668-L683 PolarHBondContact N-O 3.21Å; I668-L683 PolarHBondContact O-N 2.77Å; I668-V688 HydrophobicContact CG2-CG2 3.89Å
669	P	97.6	Very high	96.8	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	149.6	170.6	-21.4	35.5	0	0	0	111.4	S656 D671 A676 G681 F682	S656-P669 WeakPolarHBondContact CB-O 3.46Å; S656-P669 PolarHBondContact OG-O 2.95Å; P669-D671 VanDerWaalsContact C-N 3.3Å; P669-D671 PolarHBondContact O-N 2.95Å; P669-A676 HydrophobicContact CB-CB 4.2Å; P669-A676 HydrophobicContact CG-CB 3.97Å; P669-G681 WeakPolarHBondContact CA-O 3.48Å; P669-F682 HydrophobicContact CG-CD1 4.24Å; P669-F682 HydrophobicContact CG-CD2 4.3Å; P669-F682 HydrophobicContact CG-CE1 3.91Å; P669-F682 HydrophobicContact CG-CE2 3.97Å; P669-F682 HydrophobicContact CG-CG 4.42Å; P669-F682 HydrophobicContact CG-CZ 3.76Å
670	A	96.5	Very high	96.6	Very high	65 Å²	65	54.7 Å²	54.7	54%	0.537	27%	0.271	S	S	.	.	S	Bend	trans	-61.8	-39.8	176.5	0	0	0	0	0	112.3	L683	A670-L683 HydrophobicContact CB-CD1 4.09Å
671	D	97.8	Very high	96.4	Very high	40 Å²	40	56.5 Å²	56.5	21%	0.214	29%	0.292	C	S	.	.	S	Bend	trans	-115	102.8	171.5	178.7	-2.2	0	0	0	107.8	K420 P669 F673 R674	K420-D671 WeakPolarHBondContact CE-OD2 3.29Å; K420-D671 VanDerWaalsContact NZ-CG 3.28Å; K420-D671 IonicContact NZ-OD1 3.49Å; K420-D671 PolarHBondContact NZ-OD1 3.12Å; K420-D671 VanDerWaalsContact NZ-OD1 3.12Å; K420-D671 IonicContact NZ-OD2 3.64Å; K420-D671 PolarHBondContact NZ-OD2 3.4Å; P669-D671 VanDerWaalsContact C-N 3.3Å; P669-D671 PolarHBondContact O-N 2.95Å; D671-F673 PolarHBondContact O-N 2.79Å; D671-F673 WeakPolarHBondContact OD1-CB 3.49Å; D671-F673 PolarHBondContact OD1-N 2.9Å; D671-R674 HydrophobicContact CB-CB 4.46Å; D671-R674 HydrophobicContact CB-CG 4.45Å; D671-R674 PolarHBondContact O-N 3.18Å; D671-R674 VanDerWaalsContact O-N 3.08Å; D671-R674 WeakPolarHBondContact OD2-CG 3.29Å; D671-R674 IonicContact OD2-NE 3.27Å
672	P	97.9	Very high	96.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.019	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.6	-170.2	34.3	-34.4	0	0	0	112	S195 L197 V507 L655 S656	S195-P672 PolarHBondContact OG-O 2.91Å; L197-P672 HydrophobicContact CD2-CB 3.65Å; L197-P672 HydrophobicContact CD2-CG 3.92Å; V507-P672 HydrophobicContact CG1-CB 4.46Å; L655-P672 HydrophobicContact CB-CG 3.92Å; L655-P672 HydrophobicContact CD2-CG 4.36Å; L655-P672 HydrophobicContact CG-CG 4.2Å; S656-P672 WeakPolarHBondContact OG-CB 3.33Å; S656-P672 WeakPolarHBondContact OG-CD 3.4Å; S656-P672 VanDerWaalsContact OG-CG 3.32Å; S656-P672 WeakPolarHBondContact OG-CG 3.48Å
673	F	98.4	Very high	96.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.8	170.9	-60.4	-55.4	0	0	0	113.1	Y194 S195 L197 L198 W201 I412 D416 K420 L655 D671	Y194-F673 CarbonylContact C-O 3.53Å; Y194-F673 VanDerWaalsContact CA-O 3.26Å; Y194-F673 WeakPolarHBondContact CA-O 3.38Å; Y194-F673 WeakPolarHBondContact CB-O 3.1Å; Y194-F673 WeakPolarHBondContact CD1-O 3.47Å; S195-F673 PolarHBondContact N-O 2.89Å; S195-F673 WeakPolarHBondContact OG-CA 3.06Å; S195-F673 PolarHBondContact OG-O 3.08Å; L197-F673 HydrophobicContact CB-CD1 4.41Å; L197-F673 HydrophobicContact CD2-CD1 4.21Å; L197-F673 HydrophobicContact CD2-CE1 4.17Å; L197-F673 HydrophobicContact CG-CD1 3.98Å; L197-F673 HydrophobicContact CG-CE1 3.89Å; L198-F673 HydrophobicContact CB-CB 4.41Å; L198-F673 HydrophobicContact CB-CD1 4.23Å; L198-F673 HydrophobicContact CD1-CB 3.94Å; L198-F673 HydrophobicContact CD1-CD1 4.09Å; L198-F673 HydrophobicContact CD1-CG 4.06Å; W201-F673 HydrophobicContact CB-CE1 3.55Å; W201-F673 HydrophobicContact CB-CZ 4.05Å; W201-F673 HydrophobicContact CD2-CE1 4.32Å; W201-F673 AromaticContact CD2-CZ 3.97Å; W201-F673 HydrophobicContact CD2-CZ 3.97Å; W201-F673 AromaticContact CG-CE1 3.76Å; W201-F673 HydrophobicContact CG-CE1 3.76Å; W201-F673 AromaticContact CG-CZ 3.71Å; W201-F673 HydrophobicContact CG-CZ 3.71Å; I412-F673 HydrophobicContact CG2-CE2 3.88Å; I412-F673 HydrophobicContact CG2-CZ 3.84Å; D416-F673 HydrophobicContact CB-CD2 3.89Å; D416-F673 HydrophobicContact CB-CE2 3.67Å; K420-F673 HydrophobicContact CD-CB 3.89Å; L655-F673 HydrophobicContact CD2-CE1 3.93Å; L655-F673 HydrophobicContact CD2-CE2 4.43Å; L655-F673 HydrophobicContact CD2-CZ 3.66Å; D671-F673 PolarHBondContact O-N 2.79Å; D671-F673 WeakPolarHBondContact OD1-CB 3.49Å; D671-F673 PolarHBondContact OD1-N 2.9Å
674	R	97.8	Very high	96.4	Very high	128 Å²	128	60.4 Å²	60.4	48%	0.483	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-88.2	139.5	174.7	-75.8	-173.3	-180	-91.2	1.5	110.3	A193 Y194 D671 A676	A193-R674 WeakPolarHBondContact O-CA 3.41Å; Y194-R674 HydrophobicContact CD1-CG 4.21Å; Y194-R674 HydrophobicContact CE1-CG 4.26Å; D671-R674 HydrophobicContact CB-CB 4.46Å; D671-R674 HydrophobicContact CB-CG 4.45Å; D671-R674 PolarHBondContact O-N 3.18Å; D671-R674 VanDerWaalsContact O-N 3.08Å; D671-R674 WeakPolarHBondContact OD2-CG 3.29Å; D671-R674 IonicContact OD2-NE 3.27Å; R674-A676 PolarHBondContact O-N 2.68Å
675	L	97.2	Very high	96.6	Very high	54 Å²	54	58.8 Å²	58.8	28%	0.283	31%	0.309	S	S	.	.			trans	-70.8	121.3	174.7	-175.9	62.5	0	0	0	109.4	D191 A193 A510	D191-L675 WeakPolarHBondContact O-CD2 3.36Å; A193-L675 PolarHBondContact O-N 3.33Å; A510-L675 HydrophobicContact CB-CD1 4.4Å; A510-L675 HydrophobicContact CB-CD2 3.81Å
676	A	95.4	Very high	96.6	Very high	19 Å²	19	63.8 Å²	63.8	16%	0.157	34%	0.344	C	S	.	.			trans	-120.1	154.8	170.8	0	0	0	0	0	109.8	P669 R674 F682	P669-A676 HydrophobicContact CB-CB 4.2Å; P669-A676 HydrophobicContact CG-CB 3.97Å; R674-A676 PolarHBondContact O-N 2.68Å; A676-F682 HydrophobicContact CB-CD2 4.12Å; A676-F682 HydrophobicContact CB-CE2 3.78Å
677	R	92.1	Very high	96.7	Very high	213 Å²	213	60.4 Å²	60.4	80%	0.804	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-107.8	105.4	-179.4	-73.4	-173.5	179.5	-178.3	0.6	109.9	P679 D680	R677-P679 CarbonylContact O-C 3.39Å; R677-D680 CarbonylContact C-O 3.52Å; R677-D680 PolarHBondContact N-O 3.21Å; R677-D680 CarbonylContact O-C 3.56Å; R677-D680 VanDerWaalsContact O-CA 3.29Å; R677-D680 WeakPolarHBondContact O-CA 3.26Å; R677-D680 WeakPolarHBondContact O-CB 3.48Å; R677-D680 PolarHBondContact O-N 2.77Å
678	Y	94.3	Very high	96.7	Very high	81 Å²	81	57.7 Å²	57.7	32%	0.318	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133.8	178.6	-173.7	-95.4	0	0	0	112.4	S471 F472 E667 F682	S471-Y678 WeakPolarHBondContact O-CD1 3.45Å; F472-Y678 HydrophobicContact CB-CD1 4.11Å; F472-Y678 HydrophobicContact CB-CD2 4.39Å; F472-Y678 HydrophobicContact CB-CG 3.83Å; F472-Y678 HydrophobicContact CD2-CD1 4.2Å; F472-Y678 AromaticContact CD2-CD2 3.36Å; F472-Y678 HydrophobicContact CD2-CD2 3.36Å; F472-Y678 HydrophobicContact CD2-CE1 4.41Å; F472-Y678 AromaticContact CD2-CE2 3.63Å; F472-Y678 HydrophobicContact CD2-CE2 3.63Å; F472-Y678 AromaticContact CD2-CG 3.68Å; F472-Y678 HydrophobicContact CD2-CG 3.68Å; F472-Y678 AromaticContact CE2-CD2 3.84Å; F472-Y678 HydrophobicContact CE2-CD2 3.84Å; F472-Y678 AromaticContact CE2-CE2 3.92Å; F472-Y678 HydrophobicContact CE2-CE2 3.92Å; F472-Y678 HydrophobicContact CG-CD2 4.05Å; F472-Y678 HydrophobicContact CG-CG 4.01Å; E667-Y678 HydrophobicContact CB-CE2 4.38Å; E667-Y678 VanDerWaalsContact OE2-CE2 3.25Å; E667-Y678 WeakPolarHBondContact OE2-CE2 3.34Å; E667-Y678 PolarHBondContact OE2-OH 3.49Å; Y678-F682 HydrophobicContact CD2-CB 4.12Å; Y678-F682 AromaticContact CD2-CD1 3.74Å; Y678-F682 HydrophobicContact CD2-CD1 3.74Å; Y678-F682 AromaticContact CD2-CD2 3.97Å; Y678-F682 HydrophobicContact CD2-CD2 3.97Å; Y678-F682 HydrophobicContact CD2-CE1 4.13Å; Y678-F682 HydrophobicContact CD2-CE2 4.34Å; Y678-F682 AromaticContact CD2-CG 3.67Å; Y678-F682 HydrophobicContact CD2-CG 3.67Å; Y678-F682 HydrophobicContact CD2-CZ 4.42Å; Y678-F682 HydrophobicContact CE2-CB 4.47Å; Y678-F682 HydrophobicContact CE2-CD1 4.39Å; Y678-F682 HydrophobicContact CE2-CG 4.4Å
679	P	94.5	Very high	96.6	Very high	80 Å²	80	61.2 Å²	61.2	52%	0.519	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.5	-12.5	2	34.6	-35.7	0	0	0	114.6	R677 G681 F682	R677-P679 CarbonylContact O-C 3.39Å; P679-G681 PolarHBondContact O-N 2.78Å; P679-F682 WeakPolarHBondContact O-CB 3.26Å; P679-F682 PolarHBondContact O-N 3.38Å
680	D	95.7	Very high	96.4	Very high	126 Å²	126	63.3 Å²	63.3	67%	0.674	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-63.9	126.9	-178.4	-62.7	-33.8	0	0	0	112.7	R677 F682	R677-D680 CarbonylContact C-O 3.52Å; R677-D680 PolarHBondContact N-O 3.21Å; R677-D680 CarbonylContact O-C 3.56Å; R677-D680 VanDerWaalsContact O-CA 3.29Å; R677-D680 WeakPolarHBondContact O-CA 3.26Å; R677-D680 WeakPolarHBondContact O-CB 3.48Å; R677-D680 PolarHBondContact O-N 2.77Å; D680-F682 VanDerWaalsContact C-N 3.3Å
681	G	94	Very high	96.3	Very high	54 Å²	54	60.9 Å²	60.9	56%	0.557	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	2.9	-178.2	0	0	0	0	0	114.6	P669 P679	P669-G681 WeakPolarHBondContact CA-O 3.48Å; P679-G681 PolarHBondContact O-N 2.78Å
682	F	97.9	Very high	96.2	Very high	15 Å²	15	61.3 Å²	61.3	7%	0.066	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.8	168.1	-74.6	-114.4	0	0	0	109.9	F472 A508 E667 P669 A676 Y678 P679 D680	F472-F682 HydrophobicContact CD1-CE1 4.02Å; F472-F682 HydrophobicContact CD1-CZ 4.26Å; F472-F682 HydrophobicContact CD2-CE1 4.25Å; F472-F682 AromaticContact CE1-CE1 3.56Å; F472-F682 HydrophobicContact CE1-CE1 3.56Å; F472-F682 HydrophobicContact CE1-CZ 4.17Å; F472-F682 HydrophobicContact CE2-CD1 4.07Å; F472-F682 AromaticContact CE2-CE1 3.82Å; F472-F682 HydrophobicContact CE2-CE1 3.82Å; F472-F682 HydrophobicContact CG-CE1 4.33Å; F472-F682 HydrophobicContact CZ-CD1 4.01Å; F472-F682 AromaticContact CZ-CE1 3.45Å; F472-F682 HydrophobicContact CZ-CE1 3.45Å; F472-F682 VanDerWaalsContact CZ-CE1 3.45Å; F472-F682 HydrophobicContact CZ-CZ 4.44Å; A508-F682 HydrophobicContact CB-CZ 3.96Å; E667-F682 HydrophobicContact CB-CB 4.35Å; E667-F682 HydrophobicContact CB-CD1 4.42Å; P669-F682 HydrophobicContact CG-CD1 4.24Å; P669-F682 HydrophobicContact CG-CD2 4.3Å; P669-F682 HydrophobicContact CG-CE1 3.91Å; P669-F682 HydrophobicContact CG-CE2 3.97Å; P669-F682 HydrophobicContact CG-CG 4.42Å; P669-F682 HydrophobicContact CG-CZ 3.76Å; A676-F682 HydrophobicContact CB-CD2 4.12Å; A676-F682 HydrophobicContact CB-CE2 3.78Å; Y678-F682 HydrophobicContact CD2-CB 4.12Å; Y678-F682 AromaticContact CD2-CD1 3.74Å; Y678-F682 HydrophobicContact CD2-CD1 3.74Å; Y678-F682 AromaticContact CD2-CD2 3.97Å; Y678-F682 HydrophobicContact CD2-CD2 3.97Å; Y678-F682 HydrophobicContact CD2-CE1 4.13Å; Y678-F682 HydrophobicContact CD2-CE2 4.34Å; Y678-F682 AromaticContact CD2-CG 3.67Å; Y678-F682 HydrophobicContact CD2-CG 3.67Å; Y678-F682 HydrophobicContact CD2-CZ 4.42Å; Y678-F682 HydrophobicContact CE2-CB 4.47Å; Y678-F682 HydrophobicContact CE2-CD1 4.39Å; Y678-F682 HydrophobicContact CE2-CG 4.4Å; P679-F682 WeakPolarHBondContact O-CB 3.26Å; P679-F682 PolarHBondContact O-N 3.38Å; D680-F682 VanDerWaalsContact C-N 3.3Å
683	L	97.1	Very high	96.2	Very high	78 Å²	78	61.6 Å²	61.6	41%	0.408	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.5	177	-60.7	173.4	0	0	0	109	E667 I668 A670	E667-L683 CarbonylContact C-O 3.33Å; E667-L683 VanDerWaalsContact CA-O 3.27Å; E667-L683 WeakPolarHBondContact CA-O 3.2Å; I668-L683 PolarHBondContact N-O 3.21Å; I668-L683 PolarHBondContact O-N 2.77Å; A670-L683 HydrophobicContact CB-CD1 4.09Å
684	P	98.1	Very high	96.1	Very high	59 Å²	59	66.3 Å²	66.3	38%	0.383	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	143.9	172.6	27.6	-34.4	0	0	0	110.2	Q666 S686 A687	Q666-P684 CarbonylContact O-C 3.53Å; Q666-P684 WeakPolarHBondContact O-CA 3.38Å; P684-S686 PolarHBondContact O-N 3.24Å; P684-A687 HydrophobicContact CG-CB 4.05Å; P684-A687 WeakPolarHBondContact O-CB 3.22Å; P684-A687 PolarHBondContact O-N 3.34Å
685	C	97.9	Very high	96.1	Very high	12 Å²	12	61 Å²	61	8%	0.081	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.6	179.7	-79.7	0	0	0	0	113.6	R657 C660 I665 Q666 A687	R657-C685 PolarHBondContact NH1-O 2.8Å; R657-C685 PolarHBondContact NH2-O 2.71Å; C660-C685 HydrophobicContact CB-CB 3.61Å; C660-C685 WeakPolarHBondContact CB-SG 3.3Å; C660-C685 VanDerWaalsContact SG-CA 3.53Å; C660-C685 WeakPolarHBondContact SG-CB 3.42Å; C660-C685 CovalentContact SG-SG 2.03Å; C660-C685 PolarHBondContact SG-SG 3.43Å; I665-C685 PolarHBondContact O-SG 2.94Å; Q666-C685 VanDerWaalsContact C-SG 3.57Å; Q666-C685 PolarHBondContact O-N 2.82Å; Q666-C685 PolarHBondContact O-SG 3.04Å; C685-A687 VanDerWaalsContact C-N 3.27Å; C685-A687 PolarHBondContact O-N 2.78Å
686	S	97.4	Very high	96.1	Very high	108 Å²	108	58.7 Å²	58.7	76%	0.755	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.3	172.3	55.5	0	0	0	0	113.7	P684	P684-S686 PolarHBondContact O-N 3.24Å
687	A	97.4	Very high	96.1	Very high	61 Å²	61	63.4 Å²	63.4	50%	0.504	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-14.5	179.6	0	0	0	0	0	113.7	P684 C685	P684-A687 HydrophobicContact CG-CB 4.05Å; P684-A687 WeakPolarHBondContact O-CB 3.22Å; P684-A687 PolarHBondContact O-N 3.34Å; C685-A687 VanDerWaalsContact C-N 3.27Å; C685-A687 PolarHBondContact O-N 2.78Å
688	V	97.4	Very high	96.1	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.067	34%	0.342	C	S	.	.	S	Bend	trans	-70.9	143.2	173.4	-173.2	0	0	0	0	108.4	R657 I668	R657-V688 HydrophobicContact CB-CG1 3.8Å; R657-V688 PolarHBondContact NH2-O 3.02Å; I668-V688 HydrophobicContact CG2-CG2 3.89Å
689	P	95.8	Very high	95.7	Very high	74 Å²	74	59 Å²	59	48%	0.481	35%	0.353	S	S	.	.			trans	-67.2	141.3	174.4	-24.7	35.9	0	0	0	112.2	K652 R657	K652-P689 HydrophobicContact CB-CB 4.36Å; R657-P689 VanDerWaalsContact CG-O 3.26Å; R657-P689 WeakPolarHBondContact CG-O 3.27Å; R657-P689 PolarHBondContact NE-O 3.29Å
690	A	93.6	Very high	95.2	Very high	49 Å²	49	57 Å²	57	41%	0.405	34%	0.341	S	S	.	.			trans	-104.4	150	176.3	0	0	0	0	0	111.7	S692	A690-S692 PolarHBondContact O-N 3.36Å
691	L	94.9	Very high	94.7	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	33%	0.326	C	S	.	.			trans	-74.2	118.7	173	-179	71	0	0	0	109.5	L381 I404 Q649 L650 T653 L693 W696	L381-L691 HydrophobicContact CD2-CD2 4.1Å; I404-L691 HydrophobicContact CG2-CD2 3.99Å; Q649-L691 VanDerWaalsContact C-CD1 3.41Å; Q649-L691 HydrophobicContact CB-CD1 3.66Å; Q649-L691 WeakPolarHBondContact O-CD1 3.4Å; L650-L691 HydrophobicContact CD2-CD1 4.47Å; T653-L691 WeakPolarHBondContact OG1-CB 3.39Å; L691-L693 HydrophobicContact CD2-CD2 3.77Å; L691-L693 HydrophobicContact CG-CD2 4.23Å; L691-W696 HydrophobicContact CD1-CH2 4.48Å; L691-W696 HydrophobicContact CD1-CZ3 4.39Å
692	S	96.4	Very high	94.2	Very high	49 Å²	49	57.1 Å²	57.1	34%	0.343	33%	0.332	S	S	.	.			trans	-87.4	115.7	170.4	-175	0	0	0	0	110.6	A690 E694	A690-S692 PolarHBondContact O-N 3.36Å; S692-E694 PolarHBondContact O-N 3.3Å
693	L	97.3	Very high	93.5	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.052	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-78.8	-0.2	176.3	-67.7	178.2	0	0	0	114	L381 T384 L385 I388 I404 L691 A695 W696	L381-L693 HydrophobicContact CD2-CD1 3.8Å; L381-L693 HydrophobicContact CD2-CD2 3.97Å; L381-L693 HydrophobicContact CD2-CG 4.33Å; T384-L693 HydrophobicContact CG2-CB 4.28Å; T384-L693 HydrophobicContact CG2-CD1 3.59Å; L385-L693 HydrophobicContact CD2-CD1 4.46Å; L385-L693 HydrophobicContact CD2-CD2 4.41Å; L385-L693 HydrophobicContact CG-CD1 4.34Å; I388-L693 HydrophobicContact CD1-CB 4.2Å; I388-L693 WeakPolarHBondContact CD1-O 3.15Å; I404-L693 HydrophobicContact CD1-CD2 3.82Å; L691-L693 HydrophobicContact CD2-CD2 3.77Å; L691-L693 HydrophobicContact CG-CD2 4.23Å; L693-A695 PolarHBondContact O-N 3.15Å; L693-W696 HydrophobicContact CD2-CD2 4.41Å; L693-W696 HydrophobicContact CD2-CE3 4.02Å; L693-W696 HydrophobicContact CD2-CZ3 4.39Å; L693-W696 WeakPolarHBondContact O-CB 3.21Å; L693-W696 PolarHBondContact O-N 2.72Å
694	E	96.6	Very high	93	Very high	99 Å²	99	54.1 Å²	54.1	46%	0.463	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.3	173.1	-69	-60.7	142.7	0	0	112.3	S692 W696 R697	S692-E694 PolarHBondContact O-N 3.3Å; E694-W696 PolarHBondContact O-N 3.06Å; E694-W696 VanDerWaalsContact O-N 3.16Å; E694-R697 VanDerWaalsContact CD-NH2 3.31Å; E694-R697 VanDerWaalsContact O-CB 3.25Å; E694-R697 WeakPolarHBondContact O-CB 3.21Å; E694-R697 PolarHBondContact O-N 3.48Å; E694-R697 IonicContact OE1-CZ 3Å; E694-R697 IonicContact OE1-NH2 3.35Å; E694-R697 PolarHBondContact OE1-NH2 3Å; E694-R697 IonicContact OE2-CZ 3.11Å; E694-R697 VanDerWaalsContact OE2-CZ 3.23Å; E694-R697 IonicContact OE2-NE 3.99Å; E694-R697 PolarHBondContact OE2-NE 3.32Å; E694-R697 IonicContact OE2-NH2 3.74Å; E694-R697 PolarHBondContact OE2-NH2 3.08Å
695	A	96.7	Very high	92.5	Very high	16 Å²	16	59 Å²	59	13%	0.132	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.1	-9.5	173	0	0	0	0	0	114.1	Q645 Q646 Q649 L693	Q645-A695 HydrophobicContact CB-CB 4.13Å; Q646-A695 HydrophobicContact CG-CB 4.03Å; Q646-A695 VanDerWaalsContact CG-O 3.25Å; Q646-A695 WeakPolarHBondContact CG-O 3.5Å; Q646-A695 PolarHBondContact NE2-O 3.44Å; Q649-A695 HydrophobicContact CG-CB 3.97Å; L693-A695 PolarHBondContact O-N 3.15Å
696	W	97.2	Very high	92.1	Very high	5 Å²	5	63.6 Å²	63.6	2%	0.019	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-104.9	4	171.9	-77.9	-104	0	0	0	112.7	L385 N389 I404 F642 Q646 Q649 L650 L691 L693 E694 D698	L385-W696 HydrophobicContact CD2-CB 3.66Å; L385-W696 HydrophobicContact CD2-CG 4.11Å; N389-W696 PolarHBondContact ND2-O 2.69Å; I404-W696 HydrophobicContact CD1-CD2 4.09Å; I404-W696 HydrophobicContact CD1-CG 4.37Å; I404-W696 HydrophobicContact CD1-CZ2 4.05Å; I404-W696 HydrophobicContact CG1-CZ2 3.74Å; F642-W696 AromaticContact CD1-CZ2 3.81Å; F642-W696 HydrophobicContact CD1-CZ2 3.81Å; F642-W696 AromaticContact CE1-CZ2 3.72Å; F642-W696 HydrophobicContact CE1-CZ2 3.72Å; Q646-W696 HydrophobicContact CB-CH2 3.64Å; Q646-W696 HydrophobicContact CB-CZ2 3.66Å; Q646-W696 HydrophobicContact CB-CZ3 4.13Å; Q646-W696 HydrophobicContact CG-CD2 3.78Å; Q646-W696 HydrophobicContact CG-CE3 3.93Å; Q646-W696 HydrophobicContact CG-CG 4.46Å; Q646-W696 HydrophobicContact CG-CH2 3.83Å; Q646-W696 HydrophobicContact CG-CZ2 3.68Å; Q646-W696 HydrophobicContact CG-CZ3 3.95Å; Q649-W696 HydrophobicContact CB-CZ3 4.1Å; L650-W696 HydrophobicContact CD1-CH2 4.43Å; L650-W696 HydrophobicContact CD1-CZ2 4.4Å; L650-W696 HydrophobicContact CD2-CH2 4.06Å; L650-W696 HydrophobicContact CD2-CZ2 4.3Å; L650-W696 HydrophobicContact CG-CH2 3.9Å; L650-W696 HydrophobicContact CG-CZ2 4.28Å; L691-W696 HydrophobicContact CD1-CH2 4.48Å; L691-W696 HydrophobicContact CD1-CZ3 4.39Å; L693-W696 HydrophobicContact CD2-CD2 4.41Å; L693-W696 HydrophobicContact CD2-CE3 4.02Å; L693-W696 HydrophobicContact CD2-CZ3 4.39Å; L693-W696 WeakPolarHBondContact O-CB 3.21Å; L693-W696 PolarHBondContact O-N 2.72Å; E694-W696 PolarHBondContact O-N 3.06Å; E694-W696 VanDerWaalsContact O-N 3.16Å; W696-D698 PolarHBondContact O-N 2.66Å
697	R	96.2	Very high	91.6	Very high	119 Å²	119	59.3 Å²	59.3	45%	0.449	32%	0.324	S	S	.	.			trans	-62.2	125.1	172.2	-176.5	178.3	-65.3	-79.8	-3.2	108.9	N389 E694	N389-R697 WeakPolarHBondContact OD1-CA 3.4Å; E694-R697 VanDerWaalsContact CD-NH2 3.31Å; E694-R697 VanDerWaalsContact O-CB 3.25Å; E694-R697 WeakPolarHBondContact O-CB 3.21Å; E694-R697 PolarHBondContact O-N 3.48Å; E694-R697 IonicContact OE1-CZ 3Å; E694-R697 IonicContact OE1-NH2 3.35Å; E694-R697 PolarHBondContact OE1-NH2 3Å; E694-R697 IonicContact OE2-CZ 3.11Å; E694-R697 VanDerWaalsContact OE2-CZ 3.23Å; E694-R697 IonicContact OE2-NE 3.99Å; E694-R697 PolarHBondContact OE2-NE 3.32Å; E694-R697 IonicContact OE2-NH2 3.74Å; E694-R697 PolarHBondContact OE2-NH2 3.08Å
698	D	91	Very high	91.2	Very high	81 Å²	81	58 Å²	58	43%	0.433	32%	0.316	S	S	.	.			trans	-116.9	145.7	178.7	-169.9	22.1	0	0	0	109.6	N389 H391 W392 W696	N389-D698 PolarHBondContact OD1-N 3.22Å; H391-D698 PolarHBondContact CE1-O 2.95Å; H391-D698 VanDerWaalsContact CE1-O 3.23Å; H391-D698 IonicContact NE2-OD2 3.02Å; W392-D698 HydrophobicContact CZ2-CB 4Å; W392-D698 PolarHBondContact NE1-OD2 2.88Å; W696-D698 PolarHBondContact O-N 2.66Å
699	E	87.2	Confident	90.7	Very high	120 Å²	120	61.1 Å²	61.1	56%	0.561	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-99.7	133.1	178.6	-78.5	-64.9	152.3	0	0	109.6	S701 R705	E699-S701 PolarHBondContact O-N 3.13Å; E699-S701 VanDerWaalsContact O-N 3.09Å; E699-R705 IonicContact OE2-NH2 3.28Å; E699-R705 PolarHBondContact OE2-NH2 3.02Å
700	P	84.4	Confident	90.3	Very high	39 Å²	39	57.8 Å²	57.8	25%	0.253	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-56	122.9	178.2	-23.1	30.9	0	0	0	110.5	H391 L704 R705	H391-P700 HydrophobicContact CB-CG 4.42Å; P700-L704 HydrophobicContact CB-CD2 4.31Å; P700-R705 HydrophobicContact CB-CG 4.07Å; P700-R705 PolarHBondContact O-NE 3.07Å
701	S	84.1	Confident	89.9	Confident	52 Å²	52	64.3 Å²	64.3	36%	0.364	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.4	155	177.5	70.9	0	0	0	0	111.4	E699 G703 L704 R705	E699-S701 PolarHBondContact O-N 3.13Å; E699-S701 VanDerWaalsContact O-N 3.09Å; S701-G703 PolarHBondContact O-N 2.98Å; S701-L704 PolarHBondContact O-N 2.88Å; S701-L704 WeakPolarHBondContact OG-CB 3.41Å; S701-L704 PolarHBondContact OG-N 3.29Å; S701-R705 WeakPolarHBondContact O-CG 3.33Å; S701-R705 PolarHBondContact O-N 3.27Å
702	L	84.3	Confident	89.4	Confident	129 Å²	129	67.8 Å²	67.8	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-55.2	-40.2	177.4	-178.2	64.9	0	0	0	111.5	L704 R705 L706	L702-L704 VanDerWaalsContact C-N 3.32Å; L702-L704 PolarHBondContact O-N 3.49Å; L702-R705 PolarHBondContact O-N 3.27Å; L702-L706 HydrophobicContact CD1-CD1 4.41Å; L702-L706 HydrophobicContact CG-CD1 4.01Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.45Å; L702-L706 PolarHBondContact O-N 3.41Å
703	G	82.6	Confident	89	Confident	16 Å²	16	65.7 Å²	65.7	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-41.2	174.8	0	0	0	0	0	112.5	S701 L706 C707 C747	S701-G703 PolarHBondContact O-N 2.98Å; G703-L706 PolarHBondContact O-N 3.15Å; G703-C707 PolarHBondContact O-N 2.89Å; G703-C747 PolarHBondContact O-SG 3.34Å
704	L	86.4	Confident	88.5	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.079	37%	0.366	C	S	.	.	H	α-helix	trans	-71.5	-33.5	-179.6	-171.2	60.6	0	0	0	111.6	H391 P700 S701 L702 L706 G708 F720 L727	H391-L704 HydrophobicContact CB-CD2 3.97Å; P700-L704 HydrophobicContact CB-CD2 4.31Å; S701-L704 PolarHBondContact O-N 2.88Å; S701-L704 WeakPolarHBondContact OG-CB 3.41Å; S701-L704 PolarHBondContact OG-N 3.29Å; L702-L704 VanDerWaalsContact C-N 3.32Å; L702-L704 PolarHBondContact O-N 3.49Å; L704-L706 VanDerWaalsContact C-N 3.3Å; L704-G708 WeakPolarHBondContact O-CA 3.47Å; L704-G708 PolarHBondContact O-N 3.07Å; L704-F720 HydrophobicContact CD1-CE1 4.14Å; L704-F720 HydrophobicContact CD1-CE2 3.89Å; L704-F720 HydrophobicContact CD1-CZ 3.45Å; L704-F720 VanDerWaalsContact CD1-CZ 3.45Å; L704-F720 HydrophobicContact CD2-CE2 4.08Å; L704-F720 HydrophobicContact CD2-CZ 4.49Å; L704-L727 HydrophobicContact CB-CD2 3.8Å; L704-L727 HydrophobicContact CD1-CD2 4.3Å; L704-L727 VanDerWaalsContact N-CD2 3.27Å
705	R	87.2	Confident	88	Confident	161 Å²	161	69.2 Å²	69.2	61%	0.608	36%	0.362	S	S	*	.	H	α-helix	trans	-67.2	-31.9	172.6	-64.1	178.1	-169.4	-161.4	-5.3	112.2	E699 P700 S701 L702	E699-R705 IonicContact OE2-NH2 3.28Å; E699-R705 PolarHBondContact OE2-NH2 3.02Å; P700-R705 HydrophobicContact CB-CG 4.07Å; P700-R705 PolarHBondContact O-NE 3.07Å; S701-R705 WeakPolarHBondContact O-CG 3.33Å; S701-R705 PolarHBondContact O-N 3.27Å; L702-R705 PolarHBondContact O-N 3.27Å
706	L	89.1	Confident	87.6	Confident	108 Å²	108	68.8 Å²	68.8	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-81.4	-51.1	179.6	-71.8	168.7	0	0	0	112.7	L702 G703 L704	L702-L706 HydrophobicContact CD1-CD1 4.41Å; L702-L706 HydrophobicContact CG-CD1 4.01Å; L702-L706 VanDerWaalsContact O-CG 3.29Å; L702-L706 WeakPolarHBondContact O-CG 3.45Å; L702-L706 PolarHBondContact O-N 3.41Å; G703-L706 PolarHBondContact O-N 3.15Å; L704-L706 VanDerWaalsContact C-N 3.3Å
707	C	88.8	Confident	87.2	Confident	19 Å²	19	69.3 Å²	69.3	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-88.9	-14.4	-175.2	-69.6	0	0	0	0	114	G703 C747 V751 W752	G703-C707 PolarHBondContact O-N 2.89Å; C707-C747 HydrophobicContact CB-CB 3.86Å; C707-C747 WeakPolarHBondContact CB-SG 3.06Å; C707-C747 WeakPolarHBondContact SG-CA 3.34Å; C707-C747 WeakPolarHBondContact SG-CB 3.34Å; C707-C747 CovalentContact SG-SG 2.03Å; C707-C747 PolarHBondContact SG-SG 3.39Å; C707-V751 PolarHBondContact SG-N 3.25Å; C707-V751 VanDerWaalsContact SG-N 3.4Å; C707-W752 HydrophobicContact CB-CD2 4.36Å; C707-W752 HydrophobicContact CB-CZ2 4.04Å; C707-W752 PolarHBondContact O-NE1 2.82Å
708	G	87.4	Confident	86.9	Confident	32 Å²	32	64 Å²	64	33%	0.33	34%	0.342	S	S	.	.			trans	67.4	176.1	-170	0	0	0	0	0	112.7	L704 W752	L704-G708 WeakPolarHBondContact O-CA 3.47Å; L704-G708 PolarHBondContact O-N 3.07Å; G708-W752 WeakPolarHBondContact O-CZ2 3.36Å; G708-W752 PolarHBondContact O-NE1 3.16Å
709	S	86.9	Confident	86.8	Confident	77 Å²	77	61 Å²	61	54%	0.538	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-66.1	137.4	172.3	-175.3	0	0	0	0	110
710	P	87.9	Confident	86.8	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.032	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-57.2	156.5	168.5	-12.2	21.6	0	0	0	111.3	F718 F720 A729 Y731 W752	P710-F718 HydrophobicContact CB-CE1 4.24Å; P710-F718 HydrophobicContact CB-CZ 4.32Å; P710-F718 HydrophobicContact CG-CD2 4.19Å; P710-F718 HydrophobicContact CG-CE1 4.32Å; P710-F718 HydrophobicContact CG-CE2 3.91Å; P710-F718 HydrophobicContact CG-CZ 3.98Å; P710-F720 HydrophobicContact CG-CE1 3.92Å; P710-F720 HydrophobicContact CG-CZ 4.21Å; P710-A729 HydrophobicContact CG-CB 3.8Å; P710-Y731 HydrophobicContact CB-CE1 4.42Å; P710-Y731 WeakPolarHBondContact CB-OH 3.33Å; P710-W752 HydrophobicContact CG-CD2 4.32Å; P710-W752 HydrophobicContact CG-CH2 4.09Å; P710-W752 HydrophobicContact CG-CZ2 3.58Å
711	R	85.6	Confident	86.8	Confident	185 Å²	185	58.2 Å²	58.2	70%	0.698	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-66.9	144.5	175.8	-62.6	-179.2	-178.4	164.3	3.2	109.5	P756	R711-P756 HydrophobicContact CB-CG 3.74Å; R711-P756 HydrophobicContact CG-CG 4.42Å
712	P	85.2	Confident	86.7	Confident	86 Å²	86	60 Å²	60	56%	0.558	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-59.5	147.9	174.2	-21.9	33	0	0	0	111.9	R313	R313-P712 VanDerWaalsContact NH1-CB 3.29Å
713	V	87.8	Confident	86.2	Confident	6 Å²	6	60 Å²	60	4%	0.036	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-103.4	132.4	172.6	179.1	0	0	0	0	108.1	R313 Y731 P756 P757 C759	R313-V713 PolarHBondContact NH2-O 3.33Å; V713-Y731 HydrophobicContact CG2-CD1 3.67Å; V713-Y731 HydrophobicContact CG2-CE1 3.82Å; V713-P756 HydrophobicContact CG2-CB 3.95Å; V713-P757 WeakPolarHBondContact CG1-O 3.36Å; V713-P757 HydrophobicContact CG2-CG 4.4Å; V713-C759 HydrophobicContact CG1-CB 4.37Å
714	D	86.7	Confident	86.1	Confident	112 Å²	112	65.1 Å²	65.1	60%	0.599	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	133.8	172.6	-68.8	-25	0	0	0	109.1	R313 G716 C759	R313-D714 IonicContact CZ-OD1 2.91Å; R313-D714 IonicContact NH2-OD1 3.89Å; R313-D714 PolarHBondContact NH2-OD1 3.16Å; D714-G716 PolarHBondContact O-N 3.41Å; D714-C759 VanDerWaalsContact O-CB 3.31Å; D714-C759 WeakPolarHBondContact O-CB 3.35Å
715	N	86.3	Confident	85.8	Confident	71 Å²	71	67.9 Å²	67.9	38%	0.38	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	26.1	-174.5	-51	-48.2	0	0	0	115	F734 F737 C759	N715-F734 PolarHBondContact O-N 3.38Å; N715-F737 HydrophobicContact CB-CB 4.47Å; N715-F737 HydrophobicContact CB-CD1 3.57Å; N715-F737 HydrophobicContact CB-CD2 3.76Å; N715-F737 HydrophobicContact CB-CE1 3.62Å; N715-F737 HydrophobicContact CB-CE2 3.79Å; N715-F737 HydrophobicContact CB-CG 3.66Å; N715-F737 HydrophobicContact CB-CZ 3.73Å; N715-F737 WeakPolarHBondContact ND2-CE1 3.11Å; N715-C759 HydrophobicContact CB-CB 4.12Å
716	G	87.6	Confident	85.7	Confident	6 Å²	6	65 Å²	65	6%	0.062	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	177	173.4	0	0	0	0	0	111.7	D714 A732	D714-G716 PolarHBondContact O-N 3.41Å; G716-A732 CarbonylContact C-O 3.44Å; G716-A732 WeakPolarHBondContact CA-O 3.2Å
717	D	88.6	Confident	85.7	Confident	16 Å²	16	60.9 Å²	60.9	9%	0.086	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	-176.6	175.3	-150.3	-24.8	0	0	0	109.7	P394 E395 Y731 A732 F734	P394-D717 WeakPolarHBondContact CB-OD2 3.46Å; P394-D717 WeakPolarHBondContact CD-OD2 3.4Å; E395-D717 HydrophobicContact CB-CB 3.86Å; E395-D717 VanDerWaalsContact CB-OD2 3.32Å; E395-D717 WeakPolarHBondContact CB-OD2 3.38Å; E395-D717 PolarHBondContact N-OD2 2.86Å; D717-Y731 WeakPolarHBondContact O-CA 3.39Å; D717-A732 PolarHBondContact N-O 3.24Å; D717-A732 PolarHBondContact O-N 2.97Å; D717-F734 HydrophobicContact CB-CE1 4Å; D717-F734 HydrophobicContact CB-CZ 4.23Å
718	F	89.8	Confident	85.7	Confident	9 Å²	9	60 Å²	60	4%	0.039	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.4	176.8	61.4	-90.4	0	0	0	112.8	S393 P710 F720 A729 L730 Y731	S393-F718 WeakPolarHBondContact CB-O 3.46Å; S393-F718 PolarHBondContact OG-O 3.18Å; P710-F718 HydrophobicContact CB-CE1 4.24Å; P710-F718 HydrophobicContact CB-CZ 4.32Å; P710-F718 HydrophobicContact CG-CD2 4.19Å; P710-F718 HydrophobicContact CG-CE1 4.32Å; P710-F718 HydrophobicContact CG-CE2 3.91Å; P710-F718 HydrophobicContact CG-CZ 3.98Å; F718-F720 HydrophobicContact CD2-CE1 4.17Å; F718-F720 HydrophobicContact CD2-CZ 4.16Å; F718-F720 AromaticContact CE2-CE1 3.93Å; F718-F720 HydrophobicContact CE2-CE1 3.93Å; F718-F720 AromaticContact CE2-CE2 3.83Å; F718-F720 HydrophobicContact CE2-CE2 3.83Å; F718-F720 AromaticContact CE2-CZ 3.48Å; F718-F720 HydrophobicContact CE2-CZ 3.48Å; F718-F720 VanDerWaalsContact CE2-CZ 3.48Å; F718-F720 HydrophobicContact CZ-CZ 4.41Å; F718-A729 HydrophobicContact CD2-CB 4.49Å; F718-L730 CarbonylContact C-O 3.19Å; F718-L730 WeakPolarHBondContact CA-O 3.47Å; F718-L730 WeakPolarHBondContact CB-O 3.44Å; F718-Y731 HydrophobicContact CB-CD1 3.65Å; F718-Y731 HydrophobicContact CB-CE1 3.92Å; F718-Y731 HydrophobicContact CB-CG 4.24Å; F718-Y731 HydrophobicContact CD1-CD1 4.27Å; F718-Y731 AromaticContact CD1-CE1 3.91Å; F718-Y731 HydrophobicContact CD1-CE1 3.91Å; F718-Y731 HydrophobicContact CG-CD1 4.34Å; F718-Y731 HydrophobicContact CG-CE1 4.15Å
719	L	88.2	Confident	85.8	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.094	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.4	168.2	-73.3	173.7	0	0	0	109.7	Y121 E395 A396 L730	Y121-L719 HydrophobicContact CD2-CD1 3.95Å; Y121-L719 HydrophobicContact CE2-CD1 3.86Å; Y121-L719 HydrophobicContact CE2-CD2 4.02Å; E395-L719 HydrophobicContact CB-CD2 4.28Å; E395-L719 HydrophobicContact CG-CD1 4.14Å; E395-L719 HydrophobicContact CG-CD2 3.83Å; E395-L719 HydrophobicContact CG-CG 3.81Å; A396-L719 HydrophobicContact CB-CD2 3.94Å; L719-L730 PolarHBondContact N-O 2.96Å; L719-L730 PolarHBondContact O-N 2.71Å
720	F	87.3	Confident	85.9	Confident	58 Å²	58	56.4 Å²	56.4	25%	0.254	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.9	171.7	-66.3	-58.1	0	0	0	111	L704 P710 F718 L727 T728 A729 W752	L704-F720 HydrophobicContact CD1-CE1 4.14Å; L704-F720 HydrophobicContact CD1-CE2 3.89Å; L704-F720 HydrophobicContact CD1-CZ 3.45Å; L704-F720 VanDerWaalsContact CD1-CZ 3.45Å; L704-F720 HydrophobicContact CD2-CE2 4.08Å; L704-F720 HydrophobicContact CD2-CZ 4.49Å; P710-F720 HydrophobicContact CG-CE1 3.92Å; P710-F720 HydrophobicContact CG-CZ 4.21Å; F718-F720 HydrophobicContact CD2-CE1 4.17Å; F718-F720 HydrophobicContact CD2-CZ 4.16Å; F718-F720 AromaticContact CE2-CE1 3.93Å; F718-F720 HydrophobicContact CE2-CE1 3.93Å; F718-F720 AromaticContact CE2-CE2 3.83Å; F718-F720 HydrophobicContact CE2-CE2 3.83Å; F718-F720 AromaticContact CE2-CZ 3.48Å; F718-F720 HydrophobicContact CE2-CZ 3.48Å; F718-F720 VanDerWaalsContact CE2-CZ 3.48Å; F718-F720 HydrophobicContact CZ-CZ 4.41Å; F720-L727 HydrophobicContact CB-CD1 3.99Å; F720-L727 HydrophobicContact CD1-CD1 3.81Å; F720-L727 HydrophobicContact CD1-CD2 4.44Å; F720-L727 HydrophobicContact CD1-CG 4.22Å; F720-L727 HydrophobicContact CE1-CD2 4.44Å; F720-L727 HydrophobicContact CG-CD1 4.03Å; F720-T728 CarbonylContact C-O 3.59Å; F720-T728 WeakPolarHBondContact CA-O 3.14Å; F720-A729 HydrophobicContact CD1-CB 4.29Å; F720-A729 HydrophobicContact CE1-CB 4.19Å; F720-W752 HydrophobicContact CD1-CH2 4.3Å; F720-W752 AromaticContact CE1-CH2 3.71Å; F720-W752 HydrophobicContact CE1-CH2 3.71Å; F720-W752 HydrophobicContact CE1-CZ2 4.02Å
721	S	85.1	Confident	86	Confident	41 Å²	41	56.7 Å²	56.7	29%	0.287	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	173.9	170.4	70.1	0	0	0	0	110	T728 L730	S721-T728 PolarHBondContact N-O 3.46Å; S721-T728 PolarHBondContact O-N 3.22Å; S721-L730 WeakPolarHBondContact OG-CD1 3.41Å
722	S	81.3	Confident	86.1	Confident	91 Å²	91	50 Å²	50	64%	0.636	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.7	170.8	-171.8	0	0	0	0	110.1	K726	S722-K726 VanDerWaalsContact CA-O 3.31Å; S722-K726 WeakPolarHBondContact CA-O 3.33Å; S722-K726 PolarHBondContact OG-O 3.48Å
723	R	74.6	Confident	86.2	Confident	129 Å²	129	47.3 Å²	47.3	49%	0.487	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.3	173.3	-172.6	-179.8	-93.3	178	1.5	109	G725 K726 E744	R723-G725 PolarHBondContact O-N 3.28Å; R723-G725 VanDerWaalsContact O-N 3.13Å; R723-K726 PolarHBondContact N-O 3.4Å; R723-K726 VanDerWaalsContact N-O 3.13Å; R723-K726 PolarHBondContact O-N 2.91Å; R723-E744 IonicContact CZ-OE2 3.59Å; R723-E744 VanDerWaalsContact NH1-CD 3.28Å; R723-E744 IonicContact NH1-OE1 2.64Å; R723-E744 PolarHBondContact NH1-OE1 3.12Å; R723-E744 IonicContact NH1-OE2 2.73Å; R723-E744 PolarHBondContact NH1-OE2 3Å; R723-E744 IonicContact NH2-OE2 2.82Å
724	S	79.8	Confident	86.2	Confident	122 Å²	122	48.6 Å²	48.6	85%	0.853	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.7	-177.5	-53.2	0	0	0	0	113.5	K726	S724-K726 VanDerWaalsContact C-N 3.26Å; S724-K726 PolarHBondContact O-N 2.9Å
725	G	79.8	Confident	86	Confident	73 Å²	73	47.4 Å²	47.4	75%	0.753	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	1.9	-178.9	0	0	0	0	0	115.5	R723	R723-G725 PolarHBondContact O-N 3.28Å; R723-G725 VanDerWaalsContact O-N 3.13Å
726	K	85.2	Confident	85.7	Confident	100 Å²	100	45.8 Å²	45.8	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151.2	174.4	-64	-178	177.8	176.2	0	110.8	S722 R723 S724 V746 E748	S722-K726 VanDerWaalsContact CA-O 3.31Å; S722-K726 WeakPolarHBondContact CA-O 3.33Å; S722-K726 PolarHBondContact OG-O 3.48Å; R723-K726 PolarHBondContact N-O 3.4Å; R723-K726 VanDerWaalsContact N-O 3.13Å; R723-K726 PolarHBondContact O-N 2.91Å; S724-K726 VanDerWaalsContact C-N 3.26Å; S724-K726 PolarHBondContact O-N 2.9Å; K726-V746 HydrophobicContact CB-CG1 3.81Å; K726-V746 HydrophobicContact CD-CG1 3.79Å; K726-V746 HydrophobicContact CG-CG1 4.47Å; K726-E748 IonicContact NZ-OE1 3.11Å; K726-E748 PolarHBondContact NZ-OE1 2.96Å
727	L	89.1	Confident	85.6	Confident	23 Å²	23	48 Å²	48	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.4	172.7	178	69.3	0	0	0	109.3	L704 F720 C747 W752	L704-L727 HydrophobicContact CB-CD2 3.8Å; L704-L727 HydrophobicContact CD1-CD2 4.3Å; L704-L727 VanDerWaalsContact N-CD2 3.27Å; F720-L727 HydrophobicContact CB-CD1 3.99Å; F720-L727 HydrophobicContact CD1-CD1 3.81Å; F720-L727 HydrophobicContact CD1-CD2 4.44Å; F720-L727 HydrophobicContact CD1-CG 4.22Å; F720-L727 HydrophobicContact CE1-CD2 4.44Å; F720-L727 HydrophobicContact CG-CD1 4.03Å; L727-C747 HydrophobicContact CB-CB 4.11Å; L727-C747 HydrophobicContact CD2-CB 4.47Å; L727-C747 PolarHBondContact O-N 3.41Å; L727-W752 HydrophobicContact CD2-CH2 3.74Å; L727-W752 HydrophobicContact CD2-CZ2 4.3Å; L727-W752 HydrophobicContact CG-CH2 3.96Å
728	T	89.6	Confident	85.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	-180	-57.6	0	0	0	0	109.4	F720 S721 L730 E744 A745 V746	F720-T728 CarbonylContact C-O 3.59Å; F720-T728 WeakPolarHBondContact CA-O 3.14Å; S721-T728 PolarHBondContact N-O 3.46Å; S721-T728 PolarHBondContact O-N 3.22Å; T728-L730 HydrophobicContact CG2-CD2 3.93Å; T728-L730 HydrophobicContact CG2-CG 4.45Å; T728-E744 HydrophobicContact CG2-CB 4.12Å; T728-A745 CarbonylContact C-O 3.13Å; T728-A745 WeakPolarHBondContact CA-O 3.44Å; T728-V746 HydrophobicContact CG2-CG2 4.29Å
729	A	89.8	Confident	85.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.2	167.5	0	0	0	0	0	108.4	P710 F718 F720 Y731 E744 A745 W752	P710-A729 HydrophobicContact CG-CB 3.8Å; F718-A729 HydrophobicContact CD2-CB 4.49Å; F720-A729 HydrophobicContact CD1-CB 4.29Å; F720-A729 HydrophobicContact CE1-CB 4.19Å; A729-Y731 HydrophobicContact CB-CE2 4.19Å; A729-E744 CarbonylContact O-C 3.59Å; A729-E744 VanDerWaalsContact O-CA 3.29Å; A729-E744 WeakPolarHBondContact O-CA 3.34Å; A729-A745 PolarHBondContact N-O 2.9Å; A729-A745 PolarHBondContact O-N 3.31Å; A729-W752 HydrophobicContact CB-CE3 4.4Å; A729-W752 HydrophobicContact CB-CH2 4.1Å; A729-W752 HydrophobicContact CB-CZ3 3.85Å
730	L	89.3	Confident	85.7	Confident	34 Å²	34	59.1 Å²	59.1	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.9	175.4	-61.3	176.1	0	0	0	108.2	H117 F718 L719 S721 T728 E744	H117-L730 WeakPolarHBondContact CE1-CB 3.42Å; F718-L730 CarbonylContact C-O 3.19Å; F718-L730 WeakPolarHBondContact CA-O 3.47Å; F718-L730 WeakPolarHBondContact CB-O 3.44Å; L719-L730 PolarHBondContact N-O 2.96Å; L719-L730 PolarHBondContact O-N 2.71Å; S721-L730 WeakPolarHBondContact OG-CD1 3.41Å; T728-L730 HydrophobicContact CG2-CD2 3.93Å; T728-L730 HydrophobicContact CG2-CG 4.45Å; L730-E744 HydrophobicContact CD2-CB 3.94Å
731	Y	89.8	Confident	85.8	Confident	11 Å²	11	59.4 Å²	59.4	4%	0.043	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.8	-177.6	-63.7	-84.4	0	0	0	111.6	P710 V713 D717 F718 A729 A743 A745 P756 P757	P710-Y731 HydrophobicContact CB-CE1 4.42Å; P710-Y731 WeakPolarHBondContact CB-OH 3.33Å; V713-Y731 HydrophobicContact CG2-CD1 3.67Å; V713-Y731 HydrophobicContact CG2-CE1 3.82Å; D717-Y731 WeakPolarHBondContact O-CA 3.39Å; F718-Y731 HydrophobicContact CB-CD1 3.65Å; F718-Y731 HydrophobicContact CB-CE1 3.92Å; F718-Y731 HydrophobicContact CB-CG 4.24Å; F718-Y731 HydrophobicContact CD1-CD1 4.27Å; F718-Y731 AromaticContact CD1-CE1 3.91Å; F718-Y731 HydrophobicContact CD1-CE1 3.91Å; F718-Y731 HydrophobicContact CG-CD1 4.34Å; F718-Y731 HydrophobicContact CG-CE1 4.15Å; A729-Y731 HydrophobicContact CB-CE2 4.19Å; Y731-A743 PolarHBondContact N-O 3.32Å; Y731-A745 HydrophobicContact CE2-CB 3.87Å; Y731-P756 HydrophobicContact CE1-CB 4.31Å; Y731-P757 HydrophobicContact CD1-CG 4.03Å; Y731-P757 HydrophobicContact CD2-CG 3.95Å; Y731-P757 HydrophobicContact CG-CG 3.59Å
732	A	87.8	Confident	86	Confident	44 Å²	44	59.3 Å²	59.3	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.3	172.4	0	0	0	0	0	110.2	G716 D717	G716-A732 CarbonylContact C-O 3.44Å; G716-A732 WeakPolarHBondContact CA-O 3.2Å; D717-A732 PolarHBondContact N-O 3.24Å; D717-A732 PolarHBondContact O-N 2.97Å
733	C	87.8	Confident	86.3	Confident	29 Å²	29	57.5 Å²	57.5	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	150.2	172.6	-61.6	0	0	0	0	111.1	F737 L739 C759	C733-F737 HydrophobicContact CB-CB 3.86Å; C733-F737 WeakPolarHBondContact CB-O 3.5Å; C733-L739 WeakPolarHBondContact SG-CA 3.2Å; C733-L739 WeakPolarHBondContact SG-CD1 3.26Å; C733-L739 PolarHBondContact SG-N 3.33Å; C733-L739 VanDerWaalsContact SG-N 3.43Å; C733-C759 WeakPolarHBondContact CA-SG 3.48Å; C733-C759 HydrophobicContact CB-CB 3.76Å; C733-C759 WeakPolarHBondContact CB-SG 3.17Å; C733-C759 VanDerWaalsContact SG-CA 3.5Å; C733-C759 WeakPolarHBondContact SG-CB 3.25Å; C733-C759 CovalentContact SG-SG 2.03Å; C733-C759 PolarHBondContact SG-SG 2.93Å
734	F	86.1	Confident	87.1	Confident	34 Å²	34	54.9 Å²	54.9	15%	0.149	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.4	158.8	168.3	-57.7	-33.8	0	0	0	110.2	L310 N715 D717 G736 F737	L310-F734 HydrophobicContact CB-CD2 4.41Å; L310-F734 HydrophobicContact CB-CE2 4.09Å; L310-F734 HydrophobicContact CD1-CB 4.35Å; L310-F734 HydrophobicContact CD1-CD2 3.79Å; L310-F734 HydrophobicContact CD1-CE2 4.25Å; L310-F734 HydrophobicContact CD1-CG 4Å; L310-F734 HydrophobicContact CD2-CD1 4.25Å; L310-F734 HydrophobicContact CD2-CD2 4.3Å; L310-F734 HydrophobicContact CD2-CE1 3.99Å; L310-F734 HydrophobicContact CD2-CE2 4.05Å; L310-F734 HydrophobicContact CD2-CG 4.42Å; L310-F734 HydrophobicContact CD2-CZ 3.9Å; L310-F734 HydrophobicContact CG-CD2 4.4Å; L310-F734 HydrophobicContact CG-CE2 4.36Å; N715-F734 PolarHBondContact O-N 3.38Å; D717-F734 HydrophobicContact CB-CE1 4Å; D717-F734 HydrophobicContact CB-CZ 4.23Å; F734-G736 PolarHBondContact O-N 3.07Å; F734-F737 HydrophobicContact CB-CD2 4.49Å; F734-F737 PolarHBondContact O-N 2.86Å; F734-F737 VanDerWaalsContact O-N 3.14Å
735	H	83.1	Confident	87.6	Confident	87 Å²	87	49 Å²	49	40%	0.403	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	138.2	179.7	-174.3	86.1	0	0	0	111.1	P301 Q302	P301-H735 HydrophobicContact CB-CB 4.33Å; Q302-H735 PolarHBondContact OE1-CD2 2.95Å; Q302-H735 PolarHBondContact OE1-NE2 3.31Å
736	G	80.8	Confident	88.2	Confident	37 Å²	37	46.8 Å²	46.8	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-3.2	-173.6	0	0	0	0	0	114.6	F734 T762	F734-G736 PolarHBondContact O-N 3.07Å; G736-T762 PolarHBondContact O-N 3.4Å; G736-T762 PolarHBondContact O-OG1 2.89Å
737	F	85.6	Confident	88.5	Confident	52 Å²	52	42.7 Å²	42.7	23%	0.228	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	179.2	-60.8	-95.2	0	0	0	111.8	N715 C733 F734 C759 S760 E761	N715-F737 HydrophobicContact CB-CB 4.47Å; N715-F737 HydrophobicContact CB-CD1 3.57Å; N715-F737 HydrophobicContact CB-CD2 3.76Å; N715-F737 HydrophobicContact CB-CE1 3.62Å; N715-F737 HydrophobicContact CB-CE2 3.79Å; N715-F737 HydrophobicContact CB-CG 3.66Å; N715-F737 HydrophobicContact CB-CZ 3.73Å; N715-F737 WeakPolarHBondContact ND2-CE1 3.11Å; C733-F737 HydrophobicContact CB-CB 3.86Å; C733-F737 WeakPolarHBondContact CB-O 3.5Å; F734-F737 HydrophobicContact CB-CD2 4.49Å; F734-F737 PolarHBondContact O-N 2.86Å; F734-F737 VanDerWaalsContact O-N 3.14Å; F737-C759 HydrophobicContact CB-CB 3.94Å; F737-S760 CarbonylContact C-O 3.25Å; F737-S760 WeakPolarHBondContact CA-O 3.37Å; F737-E761 HydrophobicContact CD1-CG 4.08Å; F737-E761 HydrophobicContact CE1-CB 4.49Å; F737-E761 HydrophobicContact CE1-CG 3.54Å; F737-E761 HydrophobicContact CZ-CG 4.21Å
738	Q	87.9	Confident	88.5	Confident	117 Å²	117	46.2 Å²	46.2	55%	0.547	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.6	177.1	-174.3	171.5	3.7	0	0	110.3	E740 C759 S760	Q738-E740 PolarHBondContact O-N 2.99Å; Q738-C759 WeakPolarHBondContact O-CA 3.28Å; Q738-S760 PolarHBondContact N-O 3.46Å; Q738-S760 PolarHBondContact O-N 3.39Å
739	L	88.3	Confident	88.2	Confident	49 Å²	49	50.6 Å²	50.6	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.8	178.7	-165.5	93	0	0	0	110.7	C733 A743 P757	C733-L739 WeakPolarHBondContact SG-CA 3.2Å; C733-L739 WeakPolarHBondContact SG-CD1 3.26Å; C733-L739 PolarHBondContact SG-N 3.33Å; C733-L739 VanDerWaalsContact SG-N 3.43Å; L739-A743 VanDerWaalsContact CD2-CA 3.48Å; L739-A743 HydrophobicContact CD2-CB 3.54Å; L739-P757 HydrophobicContact CD1-CB 3.71Å; L739-P757 HydrophobicContact CD1-CG 3.5Å; L739-P757 VanDerWaalsContact CD1-CG 3.5Å; L739-P757 HydrophobicContact CD2-CB 4.38Å; L739-P757 HydrophobicContact CD2-CG 4.5Å; L739-P757 HydrophobicContact CG-CB 3.88Å; L739-P757 HydrophobicContact CG-CG 4.16Å
740	E	91.1	Very high	88.1	Confident	111 Å²	111	51.9 Å²	51.9	52%	0.519	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.5	172.8	-68	-179.3	-169.7	0	0	109.6	Q738 P757 C758 S760	Q738-E740 PolarHBondContact O-N 2.99Å; E740-P757 WeakPolarHBondContact O-CA 3.33Å; E740-P757 WeakPolarHBondContact O-CB 3.41Å; E740-C758 HydrophobicContact CB-CB 4.44Å; E740-C758 PolarHBondContact N-O 3.39Å; E740-C758 PolarHBondContact O-N 3.45Å; E740-S760 WeakPolarHBondContact OE1-CB 3.29Å; E740-S760 PolarHBondContact OE1-OG 3.36Å
741	G	90.6	Very high	88.2	Confident	64 Å²	64	55.1 Å²	55.1	66%	0.66	35%	0.352	S	S	*	.	S	Bend	trans	123.4	-158.9	-176.9	0	0	0	0	0	112.3
742	A	88.9	Confident	88.3	Confident	38 Å²	38	56.4 Å²	56.4	31%	0.314	36%	0.357	S	S	.	.			trans	-78.3	124.3	-179.7	0	0	0	0	0	111.2	E744 A754 P757	A742-E744 PolarHBondContact O-N 3.41Å; A742-A754 HydrophobicContact CB-CB 3.6Å; A742-P757 WeakPolarHBondContact O-CG 3.41Å
743	A	87.9	Confident	88.6	Confident	54 Å²	54	57.7 Å²	57.7	45%	0.446	36%	0.364	S	S	.	.	S	Bend	trans	-72.3	-16.8	174	0	0	0	0	0	113.3	Y731 L739	Y731-A743 PolarHBondContact N-O 3.32Å; L739-A743 VanDerWaalsContact CD2-CA 3.48Å; L739-A743 HydrophobicContact CD2-CB 3.54Å
744	E	89.9	Confident	88.7	Confident	73 Å²	73	57.6 Å²	57.6	34%	0.341	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142	177.7	61.3	-179.6	-152.1	0	0	111.4	R723 T728 A729 L730 A742	R723-E744 IonicContact CZ-OE2 3.59Å; R723-E744 VanDerWaalsContact NH1-CD 3.28Å; R723-E744 IonicContact NH1-OE1 2.64Å; R723-E744 PolarHBondContact NH1-OE1 3.12Å; R723-E744 IonicContact NH1-OE2 2.73Å; R723-E744 PolarHBondContact NH1-OE2 3Å; R723-E744 IonicContact NH2-OE2 2.82Å; T728-E744 HydrophobicContact CG2-CB 4.12Å; A729-E744 CarbonylContact O-C 3.59Å; A729-E744 VanDerWaalsContact O-CA 3.29Å; A729-E744 WeakPolarHBondContact O-CA 3.34Å; L730-E744 HydrophobicContact CD2-CB 3.94Å; A742-E744 PolarHBondContact O-N 3.41Å
745	A	91	Very high	88.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.3	168.6	0	0	0	0	0	109.4	T728 A729 Y731 W752 A754	T728-A745 CarbonylContact C-O 3.13Å; T728-A745 WeakPolarHBondContact CA-O 3.44Å; A729-A745 PolarHBondContact N-O 2.9Å; A729-A745 PolarHBondContact O-N 3.31Å; Y731-A745 HydrophobicContact CE2-CB 3.87Å; A745-W752 HydrophobicContact CB-CB 4.37Å; A745-W752 HydrophobicContact CB-CE3 3.93Å; A745-W752 WeakPolarHBondContact O-CZ3 3.21Å; A745-A754 HydrophobicContact CB-CB 4.22Å
746	V	92.1	Very high	89	Confident	25 Å²	25	60.1 Å²	60.1	15%	0.152	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.3	-179.4	-173.6	0	0	0	0	109	K726 T728 E748 S753	K726-V746 HydrophobicContact CB-CG1 3.81Å; K726-V746 HydrophobicContact CD-CG1 3.79Å; K726-V746 HydrophobicContact CG-CG1 4.47Å; T728-V746 HydrophobicContact CG2-CG2 4.29Å; V746-E748 HydrophobicContact CB-CG 4.33Å; V746-E748 HydrophobicContact CG1-CG 3.97Å; V746-E748 PolarHBondContact O-N 3Å; V746-S753 PolarHBondContact N-OG 2.59Å; V746-S753 WeakPolarHBondContact O-CB 3.28Å; V746-S753 PolarHBondContact O-N 3.25Å; V746-S753 PolarHBondContact O-OG 3.39Å
747	C	91.1	Very high	89.5	Confident	15 Å²	15	58.8 Å²	58.8	10%	0.101	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	112.3	174.5	172.3	0	0	0	0	110	G703 C707 L727 W752	G703-C747 PolarHBondContact O-SG 3.34Å; C707-C747 HydrophobicContact CB-CB 3.86Å; C707-C747 WeakPolarHBondContact CB-SG 3.06Å; C707-C747 WeakPolarHBondContact SG-CA 3.34Å; C707-C747 WeakPolarHBondContact SG-CB 3.34Å; C707-C747 CovalentContact SG-SG 2.03Å; C707-C747 PolarHBondContact SG-SG 3.39Å; L727-C747 HydrophobicContact CB-CB 4.11Å; L727-C747 HydrophobicContact CD2-CB 4.47Å; L727-C747 PolarHBondContact O-N 3.41Å; C747-W752 HydrophobicContact CB-CE3 4.2Å; C747-W752 HydrophobicContact CB-CH2 4.16Å; C747-W752 HydrophobicContact CB-CZ3 3.91Å
748	E	90.3	Very high	89.8	Confident	96 Å²	96	59.9 Å²	59.9	45%	0.449	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.3	-179.1	-57.7	-161.3	144.9	0	0	110.7	K726 V746 G750 V751	K726-E748 IonicContact NZ-OE1 3.11Å; K726-E748 PolarHBondContact NZ-OE1 2.96Å; V746-E748 HydrophobicContact CB-CG 4.33Å; V746-E748 HydrophobicContact CG1-CG 3.97Å; V746-E748 PolarHBondContact O-N 3Å; E748-G750 PolarHBondContact O-N 3.31Å; E748-G750 VanDerWaalsContact O-N 3.1Å; E748-V751 PolarHBondContact N-O 2.93Å; E748-V751 PolarHBondContact O-N 3.15Å
749	G	84.1	Confident	90	Very high	92 Å²	92	54.7 Å²	54.7	95%	0.948	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.7	177.2	0	0	0	0	0	115
750	G	87.1	Confident	90	Very high	27 Å²	27	53.8 Å²	53.8	28%	0.278	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	9.6	-176.6	0	0	0	0	0	114.6	E748	E748-G750 PolarHBondContact O-N 3.31Å; E748-G750 VanDerWaalsContact O-N 3.1Å
751	V	90.6	Very high	89.7	Confident	103 Å²	103	55.7 Å²	55.7	62%	0.624	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	150	176.8	-170.4	0	0	0	0	109.9	C707 E748	C707-V751 PolarHBondContact SG-N 3.25Å; C707-V751 VanDerWaalsContact SG-N 3.4Å; E748-V751 PolarHBondContact N-O 2.93Å; E748-V751 PolarHBondContact O-N 3.15Å
752	W	92.8	Very high	88.8	Confident	38 Å²	38	55.4 Å²	55.4	14%	0.144	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133.6	172.4	-67.8	103.9	0	0	0	110.5	C707 G708 P710 F720 L727 A729 A745 C747 A754	C707-W752 HydrophobicContact CB-CD2 4.36Å; C707-W752 HydrophobicContact CB-CZ2 4.04Å; C707-W752 PolarHBondContact O-NE1 2.82Å; G708-W752 WeakPolarHBondContact O-CZ2 3.36Å; G708-W752 PolarHBondContact O-NE1 3.16Å; P710-W752 HydrophobicContact CG-CD2 4.32Å; P710-W752 HydrophobicContact CG-CH2 4.09Å; P710-W752 HydrophobicContact CG-CZ2 3.58Å; F720-W752 HydrophobicContact CD1-CH2 4.3Å; F720-W752 AromaticContact CE1-CH2 3.71Å; F720-W752 HydrophobicContact CE1-CH2 3.71Å; F720-W752 HydrophobicContact CE1-CZ2 4.02Å; L727-W752 HydrophobicContact CD2-CH2 3.74Å; L727-W752 HydrophobicContact CD2-CZ2 4.3Å; L727-W752 HydrophobicContact CG-CH2 3.96Å; A729-W752 HydrophobicContact CB-CE3 4.4Å; A729-W752 HydrophobicContact CB-CH2 4.1Å; A729-W752 HydrophobicContact CB-CZ3 3.85Å; A745-W752 HydrophobicContact CB-CB 4.37Å; A745-W752 HydrophobicContact CB-CE3 3.93Å; A745-W752 WeakPolarHBondContact O-CZ3 3.21Å; C747-W752 HydrophobicContact CB-CE3 4.2Å; C747-W752 HydrophobicContact CB-CH2 4.16Å; C747-W752 HydrophobicContact CB-CZ3 3.91Å; W752-A754 PolarHBondContact O-N 3.03Å
753	S	92.6	Very high	87	Confident	71 Å²	71	64.6 Å²	64.6	50%	0.497	38%	0.378	S	S	.	.	S	Bend	trans	-66.5	-15.3	-176.4	68.1	0	0	0	0	114.6	V746	V746-S753 PolarHBondContact N-OG 2.59Å; V746-S753 WeakPolarHBondContact O-CB 3.28Å; V746-S753 PolarHBondContact O-N 3.25Å; V746-S753 PolarHBondContact O-OG 3.39Å
754	A	89.8	Confident	84.8	Confident	26 Å²	26	69.7 Å²	69.7	22%	0.215	40%	0.397	C	S	.	.	S	Bend	trans	-143.1	148.2	178.9	0	0	0	0	0	110.2	A742 A745 W752	A742-A754 HydrophobicContact CB-CB 3.6Å; A745-A754 HydrophobicContact CB-CB 4.22Å; W752-A754 PolarHBondContact O-N 3.03Å
755	D	88.3	Confident	82	Confident	134 Å²	134	71.7 Å²	71.7	72%	0.717	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-66.5	150.5	168.6	-75.8	-44.2	0	0	0	110.5
756	P	87.4	Confident	79.1	Confident	41 Å²	41	74.9 Å²	74.9	27%	0.266	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-56	137.2	175.1	-12.5	18.6	0	0	0	111	R711 V713 Y731	R711-P756 HydrophobicContact CB-CG 3.74Å; R711-P756 HydrophobicContact CG-CG 4.42Å; V713-P756 HydrophobicContact CG2-CB 3.95Å; Y731-P756 HydrophobicContact CE1-CB 4.31Å
757	P	92.4	Very high	76.2	Confident	9 Å²	9	84.7 Å²	84.7	6%	0.058	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-69	165.3	177.9	29	-33.5	0	0	0	111.5	V713 Y731 L739 E740 A742	V713-P757 WeakPolarHBondContact CG1-O 3.36Å; V713-P757 HydrophobicContact CG2-CG 4.4Å; Y731-P757 HydrophobicContact CD1-CG 4.03Å; Y731-P757 HydrophobicContact CD2-CG 3.95Å; Y731-P757 HydrophobicContact CG-CG 3.59Å; L739-P757 HydrophobicContact CD1-CB 3.71Å; L739-P757 HydrophobicContact CD1-CG 3.5Å; L739-P757 VanDerWaalsContact CD1-CG 3.5Å; L739-P757 HydrophobicContact CD2-CB 4.38Å; L739-P757 HydrophobicContact CD2-CG 4.5Å; L739-P757 HydrophobicContact CG-CB 3.88Å; L739-P757 HydrophobicContact CG-CG 4.16Å; E740-P757 WeakPolarHBondContact O-CA 3.33Å; E740-P757 WeakPolarHBondContact O-CB 3.41Å; A742-P757 WeakPolarHBondContact O-CG 3.41Å
758	C	91.8	Very high	73.1	Confident	75 Å²	75	90.3 Å²	90.3	51%	0.507	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.7	169.4	-169	0	0	0	0	109.6	E740	E740-C758 HydrophobicContact CB-CB 4.44Å; E740-C758 PolarHBondContact N-O 3.39Å; E740-C758 PolarHBondContact O-N 3.45Å
759	C	90.9	Very high	70.3	Confident	8 Å²	8	90.2 Å²	90.2	5%	0.054	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	101.9	169.4	-67.5	0	0	0	0	108.8	V713 D714 N715 C733 F737 Q738	V713-C759 HydrophobicContact CG1-CB 4.37Å; D714-C759 VanDerWaalsContact O-CB 3.31Å; D714-C759 WeakPolarHBondContact O-CB 3.35Å; N715-C759 HydrophobicContact CB-CB 4.12Å; C733-C759 WeakPolarHBondContact CA-SG 3.48Å; C733-C759 HydrophobicContact CB-CB 3.76Å; C733-C759 WeakPolarHBondContact CB-SG 3.17Å; C733-C759 VanDerWaalsContact SG-CA 3.5Å; C733-C759 WeakPolarHBondContact SG-CB 3.25Å; C733-C759 CovalentContact SG-SG 2.03Å; C733-C759 PolarHBondContact SG-SG 2.93Å; F737-C759 HydrophobicContact CB-CB 3.94Å; Q738-C759 WeakPolarHBondContact O-CA 3.28Å
760	S	89.6	Confident	67.5	Low	30 Å²	30	89.9 Å²	89.9	21%	0.21	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147	178.2	62.5	0	0	0	0	110.1	F737 Q738 E740 T762	F737-S760 CarbonylContact C-O 3.25Å; F737-S760 WeakPolarHBondContact CA-O 3.37Å; Q738-S760 PolarHBondContact N-O 3.46Å; Q738-S760 PolarHBondContact O-N 3.39Å; E740-S760 WeakPolarHBondContact OE1-CB 3.29Å; E740-S760 PolarHBondContact OE1-OG 3.36Å; S760-T762 PolarHBondContact O-N 3.3Å
761	E	84.5	Confident	64.7	Low	151 Å²	151	93.1 Å²	93.1	71%	0.706	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.6	129.8	174.4	-76	-178.2	-177.9	0	0	109.1	F737 R763	F737-E761 HydrophobicContact CD1-CG 4.08Å; F737-E761 HydrophobicContact CE1-CB 4.49Å; F737-E761 HydrophobicContact CE1-CG 3.54Å; F737-E761 HydrophobicContact CZ-CG 4.21Å; E761-R763 PolarHBondContact O-N 3.21Å
762	T	72.2	Confident	61.7	Low	58 Å²	58	93.8 Å²	93.8	36%	0.356	53%	0.525	S	S	.	.			trans	-61.8	112.8	172.8	-47.6	0	0	0	0	106.3	G736 S760 L764	G736-T762 PolarHBondContact O-N 3.4Å; G736-T762 PolarHBondContact O-OG1 2.89Å; S760-T762 PolarHBondContact O-N 3.3Å; T762-L764 PolarHBondContact O-N 2.85Å
763	R	49.7	Very low	58.7	Low	231 Å²	231	99 Å²	99	87%	0.872	55%	0.551	S	S	*	*			trans	-62.2	91.9	163.3	-73.3	-174.4	-174.9	178.8	3.3	105.1	E761 V765	E761-R763 PolarHBondContact O-N 3.21Å; R763-V765 PolarHBondContact O-N 3.41Å
764	L	41.9	Very low	55.7	Low	161 Å²	161	100.7 Å²	100.7	84%	0.843	56%	0.558	S	S	*	*			trans	-56.6	92.1	151.5	-71.8	168.2	0	0	0	103.3	T762 A766	T762-L764 PolarHBondContact O-N 2.85Å; L764-A766 PolarHBondContact O-N 3Å
765	V	31	Very low	52.7	Low	115 Å²	115	108.4 Å²	108.4	70%	0.697	59%	0.587	S	S	*	*			trans	-54.4	101.9	149	179.5	0	0	0	0	100.7	R763 R767	R763-V765 PolarHBondContact O-N 3.41Å; V765-R767 PolarHBondContact O-N 2.95Å
766	A	30.1	Very low	49.9	Very low	66 Å²	66	109 Å²	109	55%	0.545	59%	0.589	S	S	.	*			trans	-46.6	103.4	151.2	0	0	0	0	0	102.1	L764 D768	L764-A766 PolarHBondContact O-N 3Å; A766-D768 PolarHBondContact O-N 3.09Å
767	R	31.3	Very low	47.1	Very low	232 Å²	232	114.7 Å²	114.7	88%	0.875	62%	0.618	S	S	*	*			trans	-63.1	82.8	150.5	-77.5	-173.7	176.8	-169.4	0.7	101.1	V765 A769	V765-R767 PolarHBondContact O-N 2.95Å; R767-A769 PolarHBondContact O-N 3.14Å
768	D	26.7	Very low	44.1	Very low	132 Å²	132	118.6 Å²	118.6	71%	0.706	65%	0.646	S	S	*	*			trans	-39.6	121.3	159.1	-79.1	-34.3	0	0	0	103	A766 A770	A766-D768 PolarHBondContact O-N 3.09Å; D768-A770 PolarHBondContact O-N 2.83Å
769	A	30.7	Very low	41.1	Very low	94 Å²	94	122.7 Å²	122.7	78%	0.777	66%	0.662	S	S	*	*			trans	-39	111.5	171.3	0	0	0	0	0	105.5	R767 D771	R767-A769 PolarHBondContact O-N 3.14Å; A769-D771 PolarHBondContact O-N 3.17Å
770	A	26.5	Very low	38.3	Very low	86 Å²	86	131.4 Å²	131.4	71%	0.711	70%	0.702	S	S	*	*			trans	-52	112.1	-173.5	0	0	0	0	0	105.8	D768 P772	D768-A770 PolarHBondContact O-N 2.83Å; A770-P772 VanDerWaalsContact O-CD 3.27Å; A770-P772 WeakPolarHBondContact O-CD 3.15Å; A770-P772 VanDerWaalsContact O-N 3.08Å
771	D	27.1	Very low	35.6	Very low	94 Å²	94	135.8 Å²	135.8	50%	0.503	73%	0.728	S	S	.	*			trans	-54.8	118.1	173	-174	-3	0	0	0	105.3	A769 Q773 T774	A769-D771 PolarHBondContact O-N 3.17Å; D771-Q773 PolarHBondContact O-N 3.11Å; D771-T774 PolarHBondContact O-N 3.38Å; D771-T774 PolarHBondContact O-OG1 3.14Å
772	P	29.1	Very low	32.9	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-2	-173.2	-22.3	32	0	0	0	114.2	A770	A770-P772 VanDerWaalsContact O-CD 3.27Å; A770-P772 WeakPolarHBondContact O-CD 3.15Å; A770-P772 VanDerWaalsContact O-N 3.08Å
773	Q	28.3	Very low	30.9	Very low	148 Å²	148	143.3 Å²	143.3	69%	0.692	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-11	-179.9	-83.2	175.2	-24.6	0	0	116	D771	D771-Q773 PolarHBondContact O-N 3.11Å
774	T	29.9	Very low	30	Very low	107 Å²	107	142.6 Å²	142.6	66%	0.656	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	1.8	-176.6	40.8	0	0	0	0	115.7	D771	D771-T774 PolarHBondContact O-N 3.38Å; D771-T774 PolarHBondContact O-OG1 3.14Å
775	F	27.8	Very low	29.4	Very low	187 Å²	187	141.7 Å²	141.7	82%	0.82	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	4.6	174.1	-115.3	-87.1	0	0	0	114.7
776	L	28.8	Very low	29.3	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	78%	0.784	S	S	*	*	S	Bend	trans	-101	-6.5	-177.1	-79	167.3	0	0	0	115.8
777	D	29.3	Very low	29.3	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	80%	0.797	S	S	*	*	S	Bend	trans	-110.9	9.3	-173.9	-83.1	-14.8	0	0	0	116.1
778	S	29.4	Very low	29.2	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	79%	0.793	S	S	*	*	S	Bend	trans	-115.1	10.2	-179.2	56.2	0	0	0	0	116.2
779	N	28	Very low	29.4	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	80%	0.798	S	S	*	*	S	Bend	trans	-125.5	29	-179.4	-112.8	-9.4	0	0	0	115.5
780	Q	32	Very low	29.3	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	80%	0.8	S	S	*	*			trans	-123.5	57.1	166.9	-78	-164.5	7.1	0	0	112.9
781	T	33.3	Very low	29.5	Very low	123 Å²	123	150.6 Å²	150.6	76%	0.755	81%	0.806	S	S	*	*	S	Bend	trans	-159.1	85.9	157.6	30.7	0	0	0	0	110.4
782	N	27.6	Very low	29.6	Very low	160 Å²	160	155 Å²	155	86%	0.856	83%	0.829	S	S	*	*				171.8	90.8	129.7	-86.1	-17.6	0	0	0	110
783	K	30.3	Very low	29.7	Very low	207 Å²	207	158.2 Å²	158.2	90%	0.9	84%	0.835	S	S	*	*			trans	-79.5	116.3	151.9	-81.3	-179.1	174	177.8	0	107.7
784	T	31.6	Very low	29.8	Very low	216 Å²	216	159.1 Å²	159.1	100%	1.325	85%	0.848	S	S	*	*			trans	-156.7	0	133.2	28.9	0	0	0	0	108

Retrieved 784 of 784 residues in 323.3 ms (Link to these results)

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