A0A077ZJJ8_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 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	26.2	Very low	27.2	Very low	242 Å²	242	147.9 Å²	147.9	100%	1.192	83%	0.827	S	S	*	*				0	107.7	0	-67.9	-177.8	175.6	0	0	106.7
2	L	29.8	Very low	27.1	Very low	162 Å²	162	146.8 Å²	146.8	85%	0.848	83%	0.827	S	S	*	*			cis	-139.5	119.1	8.2	-84.5	145.6	0	0	0	105.6
3	T	25.8	Very low	27	Very low	145 Å²	145	151.7 Å²	151.7	89%	0.89	82%	0.824	S	S	*	*			trans	-95.8	102	162.1	40.3	0	0	0	0	106.5
4	V	34.4	Very low	27.1	Very low	125 Å²	125	145.6 Å²	145.6	76%	0.758	81%	0.814	S	S	*	*			trans	-136.5	91.8	164.2	-174	0	0	0	0	107.8
5	S	28.6	Very low	27	Very low	95 Å²	95	146.3 Å²	146.3	66%	0.664	82%	0.815	S	S	*	*			trans	-75	148.4	155	51.5	0	0	0	0	110
6	N	26.3	Very low	27.2	Very low	141 Å²	141	147.5 Å²	147.5	75%	0.754	82%	0.817	S	S	*	*			trans	89.6	126.2	153.6	-64.8	-8.1	0	0	0	120
7	E	26.1	Very low	27.4	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	81%	0.807	S	S	*	*			trans	73.5	92.3	148.2	-67.5	-177.2	-178.6	0	0	119.6
8	V	27.6	Very low	27.6	Very low	136 Å²	136	145 Å²	145	82%	0.824	81%	0.809	S	S	*	*			trans	-129.8	76.9	145.5	-173.4	0	0	0	0	108.7
9	A	24.5	Very low	27.8	Very low	93 Å²	93	144.7 Å²	144.7	77%	0.769	81%	0.806	S	S	*	*			trans	-97.2	71.6	161.4	0	0	0	0	0	108.6	L11	A9-L11 PolarHBondContact O-N 2.79Å
10	M	24.8	Very low	28	Very low	167 Å²	167	142.4 Å²	142.4	82%	0.823	81%	0.806	S	S	*	*			trans	-81.8	91.6	168	-91.3	-165.9	-169.2	0	0	109.8	V12	M10-V12 PolarHBondContact O-N 2.99Å
11	L	25.3	Very low	28.1	Very low	142 Å²	142	142.3 Å²	142.3	74%	0.743	81%	0.809	S	S	*	*			trans	-61.7	93.9	160.9	-94.6	134.7	0	0	0	110	A9 R13	A9-L11 PolarHBondContact O-N 2.79Å; L11-R13 VanDerWaalsContact C-N 3.29Å; L11-R13 HydrophobicContact CD2-CG 4.41Å; L11-R13 PolarHBondContact O-N 3.49Å
12	V	26.3	Very low	28.4	Very low	135 Å²	135	141.5 Å²	141.5	82%	0.818	79%	0.792	S	S	*	*			trans	-77.5	85	163.6	-178.5	0	0	0	0	108.1	M10 G14	M10-V12 PolarHBondContact O-N 2.99Å; V12-G14 PolarHBondContact O-N 2.98Å
13	R	25.8	Very low	28.3	Very low	210 Å²	210	141.3 Å²	141.3	79%	0.792	79%	0.792	S	S	*	*			trans	-75.3	91.9	164.4	-85	-177.1	172.7	179.7	-1.6	108.6	L11 N15	L11-R13 VanDerWaalsContact C-N 3.29Å; L11-R13 HydrophobicContact CD2-CG 4.41Å; L11-R13 PolarHBondContact O-N 3.49Å; R13-N15 PolarHBondContact O-N 2.83Å
14	G	27.8	Very low	28.4	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.792	S	S	*	*			trans	-70.4	91.8	166.3	0	0	0	0	0	110.7	V12 I16	V12-G14 PolarHBondContact O-N 2.98Å; G14-I16 PolarHBondContact O-N 3.3Å
15	N	26.2	Very low	28	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	80%	0.797	S	S	*	*			trans	-67.1	93.2	165.4	-89.5	-22.6	0	0	0	109.3	R13 S17	R13-N15 PolarHBondContact O-N 2.83Å; N15-S17 PolarHBondContact O-N 2.74Å; N15-S17 VanDerWaalsContact O-N 3.12Å
16	I	29.5	Very low	27.8	Very low	166 Å²	166	148.3 Å²	148.3	85%	0.851	81%	0.81	S	S	*	*			trans	-79.4	97.7	165	-63.2	179.6	0	0	0	107.6	G14 N18	G14-I16 PolarHBondContact O-N 3.3Å; I16-N18 PolarHBondContact O-N 3Å
17	S	30.5	Very low	27.9	Very low	92 Å²	92	144.9 Å²	144.9	64%	0.643	81%	0.808	S	S	*	*			trans	-45.8	115.1	173.3	161.2	0	0	0	0	112.5	N15 N19	N15-S17 PolarHBondContact O-N 2.74Å; N15-S17 VanDerWaalsContact O-N 3.12Å; S17-N19 VanDerWaalsContact C-N 3.28Å; S17-N19 PolarHBondContact O-N 2.83Å
18	N	31.6	Very low	28.2	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	81%	0.81	S	S	*	*			trans	-80.1	63.7	-179.8	-151.5	6.1	0	0	0	111.1	I16	I16-N18 PolarHBondContact O-N 3Å
19	N	30.5	Very low	28.2	Very low	139 Å²	139	139.5 Å²	139.5	74%	0.743	81%	0.808	S	S	*	*			trans	-129.9	22.6	-168.8	-118.3	-3.3	0	0	0	116.6	S17	S17-N19 VanDerWaalsContact C-N 3.28Å; S17-N19 PolarHBondContact O-N 2.83Å
20	A	31.8	Very low	28.6	Very low	99 Å²	99	143 Å²	143	82%	0.818	81%	0.812	S	S	*	*	S	Bend	trans	-114.6	2.6	177.8	0	0	0	0	0	115.6
21	V	31.8	Very low	28.7	Very low	141 Å²	141	146.4 Å²	146.4	86%	0.855	82%	0.816	S	S	*	*	S	Bend	trans	-108.6	8.8	-175.5	-173.6	0	0	0	0	113.6
22	R	31	Very low	28.9	Very low	224 Å²	224	145.9 Å²	145.9	85%	0.845	82%	0.818	S	S	*	*	S	Bend	trans	-107.2	9.4	-175.7	-133.3	177	-177.7	176.4	0.2	117.5
23	N	29.1	Very low	29.1	Very low	159 Å²	159	145 Å²	145	85%	0.85	82%	0.817	S	S	*	*			trans	-118.1	33.9	-173.1	-82.8	-7.8	0	0	0	116.8
24	C	26.9	Very low	29.2	Very low	131 Å²	131	144.6 Å²	144.6	89%	0.885	82%	0.821	S	S	*	*			trans	-127.7	34.9	169.8	-82.1	0	0	0	0	114.3
25	L	26.3	Very low	29.4	Very low	164 Å²	164	149.2 Å²	149.2	86%	0.859	83%	0.829	S	S	*	*			trans	-118.4	87.3	169.5	-76.3	169.7	0	0	0	109.8
26	K	25.1	Very low	29.7	Very low	217 Å²	217	149.4 Å²	149.4	94%	0.943	83%	0.829	S	S	*	*			trans	-179.5	116	155.2	-103.8	164.3	-173.3	-174.8	0	109.3
27	G	27.8	Very low	30	Very low	68 Å²	68	145.8 Å²	145.8	70%	0.701	82%	0.819	S	S	*	*			trans	148.2	117.1	158.2	0	0	0	0	0	115.1
28	S	32.7	Very low	30.5	Very low	126 Å²	126	147.6 Å²	147.6	88%	0.881	83%	0.826	S	S	*	*			trans	74.6	103.7	163.5	76.3	0	0	0	0	117.1
29	G	27.7	Very low	30.8	Very low	77 Å²	77	145.6 Å²	145.6	79%	0.794	82%	0.819	S	S	*	*			trans	-84.4	143.3	164.8	0	0	0	0	0	111.2
30	I	32.9	Very low	31.2	Very low	167 Å²	167	146.1 Å²	146.1	86%	0.856	82%	0.816	S	S	*	*			trans	-134.5	106.8	153.6	-77.3	158.7	0	0	0	105.6
31	R	26.3	Very low	31.8	Very low	238 Å²	238	146 Å²	146	90%	0.898	80%	0.804	S	S	*	*			trans	-69.5	137.5	155	-80.3	176.3	166.7	176.3	-4.5	106.7
32	V	29.9	Very low	32.4	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	79%	0.794	S	S	*	*			trans	167.5	135	135.3	156.8	0	0	0	0	109.5
33	C	30.8	Very low	32.9	Very low	116 Å²	116	141.5 Å²	141.5	78%	0.784	79%	0.788	S	S	*	*			trans	78.6	66.3	168	-67.6	0	0	0	0	119.3	L35	C33-L35 PolarHBondContact O-N 2.78Å
34	F	28	Very low	33.4	Very low	202 Å²	202	140.6 Å²	140.6	89%	0.886	78%	0.777	S	S	*	*			trans	-56.4	107.3	135.5	-103.2	-100.9	0	0	0	109
35	L	30.8	Very low	34	Very low	163 Å²	163	140.2 Å²	140.2	85%	0.853	77%	0.766	S	S	*	*			trans	161.8	83.5	152.3	-93.4	146.5	0	0	0	108.2	C33	C33-L35 PolarHBondContact O-N 2.78Å
36	L	32.3	Very low	34.6	Very low	160 Å²	160	139 Å²	139	84%	0.838	76%	0.759	S	S	*	*			trans	-178.2	28.1	153.7	-98.2	163.4	0	0	0	112.3
37	S	35.8	Very low	35.3	Very low	91 Å²	91	132 Å²	132	64%	0.636	74%	0.742	S	S	*	*			trans	-101.9	26.5	-168.4	64.3	0	0	0	0	116.1
38	V	40.7	Very low	35.8	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	73%	0.729	S	S	*	*	S	Bend	trans	-112.3	-8.4	179.8	-176.7	0	0	0	0	114.8
39	T	39.5	Very low	36.2	Very low	115 Å²	115	129.9 Å²	129.9	71%	0.706	71%	0.714	S	S	*	*	S	Bend	trans	-106.8	-5.2	178.6	40.2	0	0	0	0	116.1
40	F	38.2	Very low	36.7	Very low	151 Å²	151	134.1 Å²	134.1	66%	0.662	71%	0.713	S	S	*	*	S	Bend	trans	-101.2	-7.3	179.7	-101.5	-84.5	0	0	0	116.4
41	V	44.6	Very low	37.1	Very low	95 Å²	95	135.9 Å²	135.9	58%	0.576	71%	0.708	S	S	*	*	H	α-helix	trans	-78.9	-20.3	-177.7	-179.7	0	0	0	0	113	L45	V41-L45 HydrophobicContact CG1-CD1 4.18Å
42	V	45.1	Very low	37.7	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.655	70%	0.697	S	S	*	*	H	α-helix	trans	-80.8	-29.3	178.9	-178.7	0	0	0	0	112.5
43	F	41.1	Very low	38.2	Very low	164 Å²	164	128 Å²	128	72%	0.719	69%	0.685	S	S	*	*	H	α-helix	trans	-83.8	-23.3	-179.3	-99.5	-83.9	0	0	0	114.4
44	F	38.2	Very low	38.7	Very low	140 Å²	140	127 Å²	127	61%	0.614	68%	0.675	S	S	*	*	H	α-helix	trans	-86.5	-19.1	179.1	-105.3	-84.1	0	0	0	114.9	T48	F44-T48 PolarHBondContact O-OG1 2.88Å
45	L	39.3	Very low	39.3	Very low	122 Å²	122	121.6 Å²	121.6	64%	0.639	66%	0.655	S	S	*	*	H	α-helix	trans	-79.9	-17.6	176.2	-76.9	168.9	0	0	0	113.7	V41	V41-L45 HydrophobicContact CG1-CD1 4.18Å
46	L	39.6	Very low	39.9	Very low	138 Å²	138	117.4 Å²	117.4	72%	0.723	64%	0.639	S	S	*	*	H	α-helix	trans	-91.5	-16	174.9	-74.1	168.1	0	0	0	113.9
47	A	39.7	Very low	40.2	Very low	71 Å²	71	112.8 Å²	112.8	59%	0.587	62%	0.624	S	S	*	*	H	α-helix	trans	-95.6	-10.4	-178.3	0	0	0	0	0	114.8
48	T	39.1	Very low	40.5	Very low	71 Å²	71	115.7 Å²	115.7	44%	0.436	62%	0.622	S	S	.	*	S	Bend	trans	-107.1	-9.5	-177.9	51.5	0	0	0	0	115	F44 H50	F44-T48 PolarHBondContact O-OG1 2.88Å; T48-H50 VanDerWaalsContact C-N 3.34Å; T48-H50 PolarHBondContact O-N 2.87Å
49	S	40.7	Very low	40.2	Very low	79 Å²	79	116.1 Å²	116.1	55%	0.552	61%	0.611	S	S	*	*	H	α-helix	trans	-75.1	-19.6	175	54.3	0	0	0	0	113.8
50	H	39.3	Very low	40.2	Very low	166 Å²	166	115.1 Å²	115.1	77%	0.769	60%	0.604	S	S	*	*	H	α-helix	trans	-87.4	-11.2	-174.2	-121.1	-58.4	0	0	0	116.1	T48	T48-H50 VanDerWaalsContact C-N 3.34Å; T48-H50 PolarHBondContact O-N 2.87Å
51	R	40.1	Very low	40.4	Very low	203 Å²	203	110.7 Å²	110.7	77%	0.766	59%	0.592	S	S	*	*	H	α-helix	trans	-106.3	-15.3	179.2	-77.8	-166.9	-179.8	-161.3	1.5	115.6
52	F	38.4	Very low	40.2	Very low	151 Å²	151	112.1 Å²	112.1	66%	0.662	59%	0.587	S	S	*	*	H	α-helix	trans	-88.6	-21.3	176.6	-76.3	-75.9	0	0	0	114	T54 S56	F52-T54 PolarHBondContact O-N 3.02Å; F52-S56 PolarHBondContact O-N 3.42Å
53	G	41.2	Very low	40.3	Very low	51 Å²	51	111.1 Å²	111.1	53%	0.526	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-36.8	177.2	0	0	0	0	0	114	A57	G53-A57 PolarHBondContact O-N 3.2Å
54	T	40.9	Very low	40.8	Very low	95 Å²	95	106 Å²	106	58%	0.583	57%	0.566	S	S	*	*	H	α-helix	trans	-78.8	-34.8	-178.4	51.1	0	0	0	0	112.9	F52 A57 Y58	F52-T54 PolarHBondContact O-N 3.02Å; T54-A57 PolarHBondContact O-N 2.6Å; T54-Y58 WeakPolarHBondContact O-CB 3.32Å; T54-Y58 PolarHBondContact O-N 3.4Å
55	I	40.5	Very low	41.6	Very low	90 Å²	90	103.5 Å²	103.5	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-40.5	176.7	-60.6	174.8	0	0	0	110.2	Y58 Y59	I55-Y58 PolarHBondContact O-N 3.42Å; I55-Y59 HydrophobicContact CG2-CD2 3.77Å; I55-Y59 HydrophobicContact CG2-CE2 4.15Å; I55-Y59 WeakPolarHBondContact O-CB 2.85Å; I55-Y59 PolarHBondContact O-N 3.13Å
56	S	43.6	Very low	42.5	Very low	75 Å²	75	102.3 Å²	102.3	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.8	-174.5	0	0	0	0	112	F52 V60	F52-S56 PolarHBondContact O-N 3.42Å; S56-V60 WeakPolarHBondContact O-CB 3.3Å; S56-V60 WeakPolarHBondContact O-CG2 3.42Å; S56-V60 PolarHBondContact O-N 3.21Å
57	A	39.8	Very low	43.8	Very low	63 Å²	63	98.5 Å²	98.5	52%	0.521	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-40.2	179.1	0	0	0	0	0	112.2	G53 T54 S61	G53-A57 PolarHBondContact O-N 3.2Å; T54-A57 PolarHBondContact O-N 2.6Å; A57-S61 WeakPolarHBondContact O-CB 3.36Å; A57-S61 PolarHBondContact O-N 3.46Å
58	Y	41.1	Very low	45.2	Very low	152 Å²	152	97.9 Å²	97.9	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-68.2	-42.7	178	-171.7	-94.3	0	0	0	112.4	T54 I55 S61 R62	T54-Y58 WeakPolarHBondContact O-CB 3.32Å; T54-Y58 PolarHBondContact O-N 3.4Å; I55-Y58 PolarHBondContact O-N 3.42Å; Y58-S61 PolarHBondContact O-N 3.41Å; Y58-S61 PolarHBondContact O-OG 2.94Å; Y58-R62 VanDerWaalsContact O-CB 3.27Å; Y58-R62 WeakPolarHBondContact O-CB 3.31Å; Y58-R62 PolarHBondContact O-N 2.78Å
59	Y	34.4	Very low	46.8	Very low	139 Å²	139	101.7 Å²	101.7	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-40.6	175.2	-102.1	-86.4	0	0	0	112.3	I55 R62 N63	I55-Y59 HydrophobicContact CG2-CD2 3.77Å; I55-Y59 HydrophobicContact CG2-CE2 4.15Å; I55-Y59 WeakPolarHBondContact O-CB 2.85Å; I55-Y59 PolarHBondContact O-N 3.13Å; Y59-R62 PolarHBondContact O-N 3.4Å; Y59-N63 VanDerWaalsContact O-CB 3.32Å; Y59-N63 WeakPolarHBondContact O-CB 3.47Å; Y59-N63 VanDerWaalsContact O-CG 3.31Å; Y59-N63 PolarHBondContact O-N 2.85Å; Y59-N63 PolarHBondContact O-ND2 2.9Å
60	V	40.2	Very low	48.4	Very low	94 Å²	94	104.7 Å²	104.7	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-42.4	176.3	172.3	0	0	0	0	110.9	S56 A64	S56-V60 WeakPolarHBondContact O-CB 3.3Å; S56-V60 WeakPolarHBondContact O-CG2 3.42Å; S56-V60 PolarHBondContact O-N 3.21Å; V60-A64 VanDerWaalsContact O-CB 3.24Å; V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 2.67Å
61	S	40.8	Very low	50	Low	58 Å²	58	98 Å²	98	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-68.5	-38.2	177.2	91.7	0	0	0	0	112.4	A57 Y58 A64 N65	A57-S61 WeakPolarHBondContact O-CB 3.36Å; A57-S61 PolarHBondContact O-N 3.46Å; Y58-S61 PolarHBondContact O-N 3.41Å; Y58-S61 PolarHBondContact O-OG 2.94Å; S61-A64 PolarHBondContact O-N 3Å; S61-N65 WeakPolarHBondContact O-CB 3.48Å; S61-N65 PolarHBondContact O-N 3.07Å
62	R	41.1	Very low	51.6	Low	125 Å²	125	89.7 Å²	89.7	47%	0.472	47%	0.467	S	S	.	.	H	α-helix	trans	-67.2	-44.9	177	-174.4	178.6	158.7	172.5	-4.9	111.8	Y58 Y59 A64 N65 E66	Y58-R62 VanDerWaalsContact O-CB 3.27Å; Y58-R62 WeakPolarHBondContact O-CB 3.31Å; Y58-R62 PolarHBondContact O-N 2.78Å; Y59-R62 PolarHBondContact O-N 3.4Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 2.94Å; R62-N65 PolarHBondContact O-N 2.82Å; R62-E66 IonicContact CZ-OE1 3.65Å; R62-E66 IonicContact NE-OE1 2.83Å; R62-E66 PolarHBondContact NE-OE1 3.47Å; R62-E66 VanDerWaalsContact NE-OE1 3.11Å; R62-E66 IonicContact NH2-OE1 3.94Å; R62-E66 PolarHBondContact NH2-OE1 3.12Å; R62-E66 WeakPolarHBondContact O-CB 3.43Å; R62-E66 PolarHBondContact O-N 2.89Å
63	N	48.3	Very low	53.4	Low	87 Å²	87	85 Å²	85	47%	0.465	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-38.3	175.5	-75.3	-16.4	0	0	0	111.9	Y59 E66 S67	Y59-N63 VanDerWaalsContact O-CB 3.32Å; Y59-N63 WeakPolarHBondContact O-CB 3.47Å; Y59-N63 VanDerWaalsContact O-CG 3.31Å; Y59-N63 PolarHBondContact O-N 2.85Å; Y59-N63 PolarHBondContact O-ND2 2.9Å; N63-E66 PolarHBondContact O-N 2.79Å; N63-S67 WeakPolarHBondContact O-CB 3.27Å; N63-S67 PolarHBondContact O-N 2.86Å
64	A	49.8	Very low	55.1	Low	56 Å²	56	87 Å²	87	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-42.9	174	0	0	0	0	0	111.6	V60 S61 R62 S67 Y68	V60-A64 VanDerWaalsContact O-CB 3.24Å; V60-A64 WeakPolarHBondContact O-CB 3.32Å; V60-A64 PolarHBondContact O-N 2.67Å; S61-A64 PolarHBondContact O-N 3Å; R62-A64 VanDerWaalsContact C-N 3.34Å; R62-A64 PolarHBondContact O-N 2.94Å; A64-S67 WeakPolarHBondContact O-CB 3.48Å; A64-S67 PolarHBondContact O-N 3.3Å; A64-Y68 PolarHBondContact O-N 2.98Å
65	N	56	Low	56.9	Low	87 Å²	87	82.8 Å²	82.8	47%	0.465	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-45.2	173.8	-85.6	-7.8	0	0	0	111.8	S61 R62 S67 Y68 Y69	S61-N65 WeakPolarHBondContact O-CB 3.48Å; S61-N65 PolarHBondContact O-N 3.07Å; R62-N65 PolarHBondContact O-N 2.82Å; N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.94Å; N65-Y68 WeakPolarHBondContact O-CB 3.2Å; N65-Y68 PolarHBondContact O-N 3.06Å; N65-Y68 VanDerWaalsContact O-N 3.15Å; N65-Y69 HydrophobicContact CB-CD2 4.31Å; N65-Y69 HydrophobicContact CB-CE2 4.16Å; N65-Y69 WeakPolarHBondContact O-CD2 3.4Å; N65-Y69 PolarHBondContact O-N 3.2Å
66	E	58.9	Low	58.7	Low	97 Å²	97	84.9 Å²	84.9	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-59.8	-39.9	175.8	-79.2	-178.9	-166.2	0	0	111.2	R62 N63 K70	R62-E66 IonicContact CZ-OE1 3.65Å; R62-E66 IonicContact NE-OE1 2.83Å; R62-E66 PolarHBondContact NE-OE1 3.47Å; R62-E66 VanDerWaalsContact NE-OE1 3.11Å; R62-E66 IonicContact NH2-OE1 3.94Å; R62-E66 PolarHBondContact NH2-OE1 3.12Å; R62-E66 WeakPolarHBondContact O-CB 3.43Å; R62-E66 PolarHBondContact O-N 2.89Å; N63-E66 PolarHBondContact O-N 2.79Å; E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 2.84Å
67	S	66.6	Low	60.3	Low	58 Å²	58	89 Å²	89	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-44.8	173	-171.1	0	0	0	0	112.2	N63 A64 N65 K70 K71	N63-S67 WeakPolarHBondContact O-CB 3.27Å; N63-S67 PolarHBondContact O-N 2.86Å; A64-S67 WeakPolarHBondContact O-CB 3.48Å; A64-S67 PolarHBondContact O-N 3.3Å; N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.94Å; S67-K70 PolarHBondContact O-N 2.72Å; S67-K71 WeakPolarHBondContact O-CG 3.09Å; S67-K71 PolarHBondContact O-N 2.93Å; S67-K71 VanDerWaalsContact O-N 3.09Å
68	Y	68.5	Low	62.2	Low	58 Å²	58	89 Å²	89	23%	0.227	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-55.2	175.7	175.3	-89.8	0	0	0	111.6	A64 N65 K70 K71 I72 W558 L584	A64-Y68 PolarHBondContact O-N 2.98Å; N65-Y68 WeakPolarHBondContact O-CB 3.2Å; N65-Y68 PolarHBondContact O-N 3.06Å; N65-Y68 VanDerWaalsContact O-N 3.15Å; Y68-K70 VanDerWaalsContact C-N 3.29Å; Y68-K70 PolarHBondContact O-N 3.16Å; Y68-K71 PolarHBondContact O-N 2.8Å; Y68-K71 VanDerWaalsContact O-N 3.07Å; Y68-I72 HydrophobicContact CD1-CG1 4.08Å; Y68-I72 HydrophobicContact CE1-CD1 4.44Å; Y68-I72 HydrophobicContact CE1-CG1 3.61Å; Y68-I72 HydrophobicContact CE2-CD1 4.24Å; Y68-I72 HydrophobicContact CE2-CG1 4.1Å; Y68-I72 HydrophobicContact CG-CG1 4.49Å; Y68-I72 WeakPolarHBondContact O-CG1 3.36Å; Y68-I72 PolarHBondContact O-N 2.93Å; Y68-W558 AromaticContact CD2-CH2 3.87Å; Y68-W558 HydrophobicContact CD2-CH2 3.87Å; Y68-W558 AromaticContact CD2-CZ3 3.54Å; Y68-W558 HydrophobicContact CD2-CZ3 3.54Å; Y68-W558 AromaticContact CE2-CZ3 3.97Å; Y68-W558 HydrophobicContact CE2-CZ3 3.97Å; Y68-L584 HydrophobicContact CE2-CB 4.42Å
69	Y	72.8	Confident	63.9	Low	152 Å²	152	88.9 Å²	88.9	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-61	-38.6	-178.7	-74.4	-66.2	0	0	0	112	N65 K71 I72 A73	N65-Y69 HydrophobicContact CB-CD2 4.31Å; N65-Y69 HydrophobicContact CB-CE2 4.16Å; N65-Y69 WeakPolarHBondContact O-CD2 3.4Å; N65-Y69 PolarHBondContact O-N 3.2Å; Y69-K71 VanDerWaalsContact C-N 3.33Å; Y69-K71 PolarHBondContact O-N 2.91Å; Y69-I72 PolarHBondContact O-N 3.31Å; Y69-A73 WeakPolarHBondContact O-CB 3.48Å; Y69-A73 PolarHBondContact O-N 3.16Å
70	K	75.1	Confident	65.7	Low	142 Å²	142	88.2 Å²	88.2	62%	0.617	45%	0.454	S	S	*	.	H	α-helix	trans	-61.9	-40.3	175.5	-174	175.6	-179.1	178.9	0	112	E66 S67 Y68 Q74	E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 2.84Å; S67-K70 PolarHBondContact O-N 2.72Å; Y68-K70 VanDerWaalsContact C-N 3.29Å; Y68-K70 PolarHBondContact O-N 3.16Å; K70-Q74 WeakPolarHBondContact O-CG 3.39Å; K70-Q74 PolarHBondContact O-N 2.75Å
71	K	72.9	Confident	67.6	Low	26 Å²	26	87.7 Å²	87.7	11%	0.113	45%	0.454	C	S	.	.	H	α-helix	trans	-72.5	-41.2	177.9	-73.3	-168.6	-176.1	-151.2	0	113	S67 Y68 Y69 A73 Q74 I75 D553 W558	S67-K71 WeakPolarHBondContact O-CG 3.09Å; S67-K71 PolarHBondContact O-N 2.93Å; S67-K71 VanDerWaalsContact O-N 3.09Å; Y68-K71 PolarHBondContact O-N 2.8Å; Y68-K71 VanDerWaalsContact O-N 3.07Å; Y69-K71 VanDerWaalsContact C-N 3.33Å; Y69-K71 PolarHBondContact O-N 2.91Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 2.95Å; K71-Q74 WeakPolarHBondContact O-CB 3.43Å; K71-Q74 PolarHBondContact O-N 2.93Å; K71-Q74 VanDerWaalsContact O-N 3.15Å; K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 2.83Å; K71-D553 VanDerWaalsContact NZ-C 3.28Å; K71-D553 PolarHBondContact NZ-O 2.82Å; K71-W558 HydrophobicContact CB-CE3 4.46Å; K71-W558 HydrophobicContact CD-CB 4.35Å; K71-W558 HydrophobicContact CD-CD2 3.48Å; K71-W558 VanDerWaalsContact CD-CD2 3.48Å; K71-W558 HydrophobicContact CD-CE3 4.14Å; K71-W558 HydrophobicContact CD-CG 3.54Å; K71-W558 HydrophobicContact CD-CZ2 4.21Å
72	I	73.3	Confident	69.6	Low	27 Å²	27	86.3 Å²	86.3	14%	0.138	44%	0.442	C	S	.	.	H	α-helix	trans	-59.9	-44.3	173.7	-65.9	-60.7	0	0	0	110	Y68 Y69 Q74 I75 E76	Y68-I72 HydrophobicContact CD1-CG1 4.08Å; Y68-I72 HydrophobicContact CE1-CD1 4.44Å; Y68-I72 HydrophobicContact CE1-CG1 3.61Å; Y68-I72 HydrophobicContact CE2-CD1 4.24Å; Y68-I72 HydrophobicContact CE2-CG1 4.1Å; Y68-I72 HydrophobicContact CG-CG1 4.49Å; Y68-I72 WeakPolarHBondContact O-CG1 3.36Å; Y68-I72 PolarHBondContact O-N 2.93Å; Y69-I72 PolarHBondContact O-N 3.31Å; I72-Q74 VanDerWaalsContact C-N 3.31Å; I72-Q74 PolarHBondContact O-N 3.47Å; I72-I75 PolarHBondContact O-N 3.4Å; I72-E76 HydrophobicContact CG2-CG 4.36Å; I72-E76 WeakPolarHBondContact O-CB 3.48Å; I72-E76 WeakPolarHBondContact O-CG 3.5Å; I72-E76 PolarHBondContact O-N 2.69Å
73	A	76.4	Confident	71.8	Confident	53 Å²	53	80.6 Å²	80.6	44%	0.438	42%	0.421	S	S	.	.	H	α-helix	trans	-60.6	-39.1	174.8	0	0	0	0	0	112.6	Y69 K71 H77	Y69-A73 WeakPolarHBondContact O-CB 3.48Å; Y69-A73 PolarHBondContact O-N 3.16Å; K71-A73 VanDerWaalsContact C-N 3.29Å; K71-A73 PolarHBondContact O-N 2.95Å; A73-H77 WeakPolarHBondContact O-CB 3.32Å; A73-H77 PolarHBondContact O-N 2.82Å
74	Q	76.4	Confident	73.9	Confident	93 Å²	93	82.1 Å²	82.1	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-42.8	173.7	-76.3	177.3	-16.9	0	0	112.5	K70 K71 I72 H77 L78	K70-Q74 WeakPolarHBondContact O-CG 3.39Å; K70-Q74 PolarHBondContact O-N 2.75Å; K71-Q74 WeakPolarHBondContact O-CB 3.43Å; K71-Q74 PolarHBondContact O-N 2.93Å; K71-Q74 VanDerWaalsContact O-N 3.15Å; I72-Q74 VanDerWaalsContact C-N 3.31Å; I72-Q74 PolarHBondContact O-N 3.47Å; Q74-H77 PolarHBondContact O-N 2.88Å; Q74-L78 WeakPolarHBondContact O-CB 3.02Å; Q74-L78 WeakPolarHBondContact O-CG 3.27Å; Q74-L78 PolarHBondContact O-N 3.07Å
75	I	79.2	Confident	75.9	Confident	7 Å²	7	81.1 Å²	81.1	4%	0.036	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-45	176.2	-73.3	167.5	0	0	0	110.3	K71 I72 H77 L78 K79 L82 L555 W558 Y559	K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 2.83Å; I72-I75 PolarHBondContact O-N 3.4Å; I75-H77 VanDerWaalsContact C-N 3.34Å; I75-H77 PolarHBondContact O-N 3.02Å; I75-L78 CarbonylContact O-C 3.34Å; I75-L78 PolarHBondContact O-N 3.41Å; I75-K79 WeakPolarHBondContact O-CA 3.34Å; I75-K79 PolarHBondContact O-N 2.71Å; I75-L82 HydrophobicContact CB-CD1 4.37Å; I75-L82 HydrophobicContact CG2-CD1 3.82Å; I75-L555 HydrophobicContact CG1-CD1 3.8Å; I75-W558 HydrophobicContact CD1-CB 4.29Å; I75-Y559 HydrophobicContact CG2-CD2 3.84Å; I75-Y559 HydrophobicContact CG2-CE2 4.28Å
76	E	77.3	Confident	77.6	Confident	134 Å²	134	81.9 Å²	81.9	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-62	-42.2	177	-75.7	-178.2	164.1	0	0	111.6	I72 L78 K79	I72-E76 HydrophobicContact CG2-CG 4.36Å; I72-E76 WeakPolarHBondContact O-CB 3.48Å; I72-E76 WeakPolarHBondContact O-CG 3.5Å; I72-E76 PolarHBondContact O-N 2.69Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.34Å; E76-K79 VanDerWaalsContact O-CB 3.31Å; E76-K79 WeakPolarHBondContact O-CB 3.29Å; E76-K79 PolarHBondContact O-N 2.95Å
77	H	78.4	Confident	79.1	Confident	160 Å²	160	80.5 Å²	80.5	74%	0.741	41%	0.411	S	S	*	.	H	α-helix	trans	-65.7	-33.6	175.8	-173.5	-72.3	0	0	0	112.6	A73 Q74 I75	A73-H77 WeakPolarHBondContact O-CB 3.32Å; A73-H77 PolarHBondContact O-N 2.82Å; Q74-H77 PolarHBondContact O-N 2.88Å; I75-H77 VanDerWaalsContact C-N 3.34Å; I75-H77 PolarHBondContact O-N 3.02Å
78	L	79.6	Confident	80	Confident	64 Å²	64	80.2 Å²	80.2	34%	0.335	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	7.9	-179.3	-68.9	169.5	0	0	0	113.1	Q74 I75 E76 S80 S81 L82 L555	Q74-L78 WeakPolarHBondContact O-CB 3.02Å; Q74-L78 WeakPolarHBondContact O-CG 3.27Å; Q74-L78 PolarHBondContact O-N 3.07Å; I75-L78 CarbonylContact O-C 3.34Å; I75-L78 PolarHBondContact O-N 3.41Å; E76-L78 VanDerWaalsContact C-N 3.31Å; E76-L78 PolarHBondContact O-N 3.34Å; L78-S80 PolarHBondContact O-N 3.27Å; L78-S80 VanDerWaalsContact O-N 3.1Å; L78-S81 WeakPolarHBondContact O-CA 3.38Å; L78-S81 PolarHBondContact O-N 3.47Å; L78-S81 PolarHBondContact O-OG 3.24Å; L78-L82 HydrophobicContact CB-CD1 4.41Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 2.88Å; L78-L555 HydrophobicContact CD1-CD2 3.5Å; L78-L555 VanDerWaalsContact CD1-CD2 3.5Å
79	K	75.2	Confident	80.4	Confident	149 Å²	149	80.3 Å²	80.3	65%	0.648	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-56.2	-34.5	-171.5	-169.1	175.7	-177.8	179.9	0	113.4	I75 E76 S81 L82	I75-K79 WeakPolarHBondContact O-CA 3.34Å; I75-K79 PolarHBondContact O-N 2.71Å; E76-K79 VanDerWaalsContact O-CB 3.31Å; E76-K79 WeakPolarHBondContact O-CB 3.29Å; E76-K79 PolarHBondContact O-N 2.95Å; K79-S81 PolarHBondContact O-N 2.89Å; K79-L82 PolarHBondContact O-N 3.44Å
80	S	73.8	Confident	79.8	Confident	125 Å²	125	74.8 Å²	74.8	87%	0.874	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.3	176.3	56.4	0	0	0	0	114.4	L78	L78-S80 PolarHBondContact O-N 3.27Å; L78-S80 VanDerWaalsContact O-N 3.1Å
81	S	78.7	Confident	78.3	Confident	84 Å²	84	76.8 Å²	76.8	59%	0.587	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-103.1	-6	178.7	64.3	0	0	0	0	113.7	L78 K79	L78-S81 WeakPolarHBondContact O-CA 3.38Å; L78-S81 PolarHBondContact O-N 3.47Å; L78-S81 PolarHBondContact O-OG 3.24Å; K79-S81 PolarHBondContact O-N 2.89Å
82	L	84.1	Confident	76.4	Confident	28 Å²	28	86.3 Å²	86.3	15%	0.147	44%	0.443	C	S	.	.	S	Bend	trans	-90.2	149.2	178.8	-70	167.4	0	0	0	110.2	I75 L78 K79 Y559	I75-L82 HydrophobicContact CB-CD1 4.37Å; I75-L82 HydrophobicContact CG2-CD1 3.82Å; L78-L82 HydrophobicContact CB-CD1 4.41Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 2.88Å; K79-L82 PolarHBondContact O-N 3.44Å; L82-Y559 HydrophobicContact CB-CD1 4.45Å; L82-Y559 HydrophobicContact CB-CD2 4.45Å; L82-Y559 HydrophobicContact CB-CE1 4.04Å; L82-Y559 HydrophobicContact CB-CE2 4.04Å; L82-Y559 HydrophobicContact CD1-CD2 3.61Å; L82-Y559 HydrophobicContact CD1-CE2 3.78Å; L82-Y559 HydrophobicContact CD1-CG 4.09Å; L82-Y559 HydrophobicContact CD2-CD1 4.07Å; L82-Y559 HydrophobicContact CD2-CD2 4.34Å; L82-Y559 HydrophobicContact CD2-CE1 4.49Å; L82-Y559 HydrophobicContact CD2-CG 3.98Å; L82-Y559 HydrophobicContact CG-CD2 4.36Å; L82-Y559 HydrophobicContact CG-CE2 4.39Å; L82-Y559 HydrophobicContact CG-CG 4.47Å
83	P	87.2	Confident	74.3	Confident	6 Å²	6	96.3 Å²	96.3	4%	0.039	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-69.8	145.8	-174.8	28.4	-34	0	0	0	112.3	Y559 Y645 A650 L652	P83-Y559 HydrophobicContact CG-CD1 4.45Å; P83-Y559 HydrophobicContact CG-CE1 3.87Å; P83-Y559 PolarHBondContact O-OH 3.29Å; P83-Y645 HydrophobicContact CB-CD2 4.02Å; P83-Y645 HydrophobicContact CB-CE2 3.33Å; P83-Y645 HydrophobicContact CG-CD2 4.16Å; P83-Y645 HydrophobicContact CG-CE2 3.73Å; P83-A650 CarbonylContact C-O 3.59Å; P83-A650 WeakPolarHBondContact CA-O 3.42Å; P83-A650 HydrophobicContact CB-CB 4.46Å; P83-A650 WeakPolarHBondContact CB-O 3.24Å; P83-L652 HydrophobicContact CB-CB 4.4Å; P83-L652 HydrophobicContact CG-CB 4.18Å; P83-L652 HydrophobicContact CG-CD1 4.43Å
84	E	91.3	Very high	72.1	Confident	118 Å²	118	102.2 Å²	102.2	55%	0.551	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	136.4	173.8	-175.1	-166.3	148.3	0	0	110.1	K86 A650 V651 L652	E84-K86 WeakPolarHBondContact OE1-CE 3.43Å; E84-A650 PolarHBondContact N-O 2.8Å; E84-V651 HydrophobicContact CB-CG2 4.4Å; E84-V651 CarbonylContact O-C 3.55Å; E84-V651 VanDerWaalsContact O-CA 3.27Å; E84-V651 WeakPolarHBondContact O-CA 3.28Å; E84-L652 PolarHBondContact O-N 3.39Å
85	V	92.3	Very high	69.7	Low	36 Å²	36	107.4 Å²	107.4	22%	0.218	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.3	179.1	-177.1	0	0	0	0	110.7	V87 Y559 E563 L652 I654	V85-V87 HydrophobicContact CG1-CG2 4.09Å; V85-Y559 HydrophobicContact CG2-CE1 4.35Å; V85-Y559 WeakPolarHBondContact CG2-OH 3.47Å; V85-E563 HydrophobicContact CG1-CB 4.47Å; V85-E563 HydrophobicContact CG2-CB 4.03Å; V85-E563 HydrophobicContact CG2-CG 3.68Å; V85-L652 CarbonylContact C-O 3.56Å; V85-L652 WeakPolarHBondContact CA-O 3.19Å; V85-L652 HydrophobicContact CG1-CD2 4.2Å; V85-L652 HydrophobicContact CG2-CB 4.39Å; V85-L652 HydrophobicContact CG2-CD2 4.13Å; V85-I654 HydrophobicContact CG1-CD1 3.81Å; V85-I654 HydrophobicContact CG1-CG1 4.23Å
86	K	91.9	Very high	67.6	Low	102 Å²	102	111.8 Å²	111.8	44%	0.443	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.1	168.4	-66.9	-170.3	-175.6	-178	0	109.2	E84 V651 L652 L653 I654	E84-K86 WeakPolarHBondContact OE1-CE 3.43Å; K86-V651 HydrophobicContact CB-CG1 4.18Å; K86-V651 HydrophobicContact CD-CG1 3.85Å; K86-V651 HydrophobicContact CG-CG1 3.82Å; K86-L652 PolarHBondContact N-O 2.92Å; K86-L653 HydrophobicContact CB-CD1 4.16Å; K86-L653 WeakPolarHBondContact O-CA 3.12Å; K86-I654 PolarHBondContact O-N 3.09Å
87	V	90	Very high	65.5	Low	68 Å²	68	110.6 Å²	110.6	41%	0.412	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	176.9	-174.2	0	0	0	0	108.1	V85 A567 I654 L656	V85-V87 HydrophobicContact CG1-CG2 4.09Å; V87-A567 HydrophobicContact CG1-CB 4.1Å; V87-A567 HydrophobicContact CG2-CB 3.86Å; V87-I654 WeakPolarHBondContact CA-O 3.44Å; V87-I654 HydrophobicContact CG2-CB 4.38Å; V87-L656 HydrophobicContact CG1-CD1 3.61Å; V87-L656 HydrophobicContact CG1-CD2 4.45Å; V87-L656 HydrophobicContact CG1-CG 3.76Å
88	V	86.6	Confident	63.6	Low	52 Å²	52	106.6 Å²	106.6	32%	0.315	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.3	174.4	-62.8	0	0	0	0	109.8	L653 I654 D655 L656	V88-L653 HydrophobicContact CB-CD1 4.46Å; V88-L653 HydrophobicContact CG1-CD1 3.78Å; V88-L653 HydrophobicContact CG2-CD1 3.87Å; V88-L653 HydrophobicContact CG2-CG 4.32Å; V88-I654 PolarHBondContact N-O 3.48Å; V88-D655 HydrophobicContact CG2-CB 3.99Å; V88-L656 PolarHBondContact O-N 3.24Å
89	Q	76.8	Confident	61.6	Low	60 Å²	60	109.9 Å²	109.9	28%	0.28	55%	0.549	S	S	.	.			trans	-156.5	128.5	175.7	-170.2	-173.1	-12.2	0	0	106.7	E91 L656 D657 Y678	Q89-E91 PolarHBondContact O-N 3.29Å; Q89-L656 HydrophobicContact CB-CB 4.24Å; Q89-L656 HydrophobicContact CB-CD1 4.38Å; Q89-L656 HydrophobicContact CG-CB 4.13Å; Q89-D657 WeakPolarHBondContact CG-OD1 3.33Å; Q89-Y678 PolarHBondContact NE2-OH 3.15Å
90	A	58.7	Low	59.8	Low	36 Å²	36	109.4 Å²	109.4	30%	0.298	55%	0.547	S	S	.	.			trans	-70.9	125.8	-180	0	0	0	0	0	110.4	D657	A90-D657 VanDerWaalsContact CB-OD2 3.25Å; A90-D657 WeakPolarHBondContact CB-OD2 3.38Å; A90-D657 PolarHBondContact N-OD2 3.49Å
91	E	44.6	Very low	58.3	Low	184 Å²	184	105.6 Å²	105.6	86%	0.86	52%	0.521	S	S	*	.			trans	-74.4	125.7	151.3	-73.6	-177.4	168.4	0	0	106.9	Q89 R93	Q89-E91 PolarHBondContact O-N 3.29Å; E91-R93 PolarHBondContact O-N 3.46Å
92	Y	31.9	Very low	56.6	Low	227 Å²	227	104.9 Å²	104.9	89%	0.89	52%	0.52	S	S	*	.	S	Bend	trans	-33.8	120.9	-174.2	-149.1	-96.8	0	0	0	113.3
93	R	29.3	Very low	54.7	Low	237 Å²	237	107.1 Å²	107.1	89%	0.894	54%	0.535	S	S	*	.	S	Bend	trans	116	17.9	172.5	-65.2	-178.3	175.5	-176.6	-0.1	119.5	E91	E91-R93 PolarHBondContact O-N 3.46Å
94	K	30.1	Very low	53	Low	176 Å²	176	109.3 Å²	109.3	77%	0.765	55%	0.551	S	S	*	*			trans	-121.3	119.5	161.6	-76.2	-175.4	178.3	177.5	0	111.2	H96	K94-H96 PolarHBondContact O-N 3.11Å
95	E	26.4	Very low	51.8	Low	202 Å²	202	109.7 Å²	109.7	94%	0.944	56%	0.561	S	S	*	*			trans	-63.3	122.1	169.2	-77.1	-179.2	149	0	0	109.3
96	H	34.5	Very low	51.3	Low	99 Å²	99	108.4 Å²	108.4	46%	0.458	56%	0.555	S	S	.	*			trans	-93.7	138	165.7	-87.3	-74.8	0	0	0	109.7	K94 F98	K94-H96 PolarHBondContact O-N 3.11Å; H96-F98 HydrophobicContact CB-CD2 4.44Å; H96-F98 PolarHBondContact O-N 3.2Å
97	S	34.6	Very low	51.1	Low	110 Å²	110	104.4 Å²	104.4	77%	0.769	54%	0.54	S	S	*	.			trans	-77.8	10.9	-178.7	61	0	0	0	0	114.7	T99	S97-T99 PolarHBondContact O-N 3.09Å
98	F	38.1	Very low	50.9	Low	75 Å²	75	102 Å²	102	33%	0.329	53%	0.525	S	S	.	.			trans	-89.3	97	-178.2	-66	-70.1	0	0	0	110.8	H96 L644 L653 L658	H96-F98 HydrophobicContact CB-CD2 4.44Å; H96-F98 PolarHBondContact O-N 3.2Å; F98-L644 HydrophobicContact CE1-CD2 3.67Å; F98-L644 HydrophobicContact CZ-CD2 3.96Å; F98-L653 HydrophobicContact CE2-CD2 4.4Å; F98-L653 HydrophobicContact CZ-CD2 4.48Å; F98-L658 HydrophobicContact CB-CD1 4.24Å
99	T	38.3	Very low	50.8	Low	133 Å²	133	103.2 Å²	103.2	82%	0.816	52%	0.524	S	S	*	.			trans	-75.5	133.2	173.3	37	0	0	0	0	110.5	S97 S101	S97-T99 PolarHBondContact O-N 3.09Å; T99-S101 PolarHBondContact O-N 3.2Å
100	K	36.5	Very low	51.1	Low	139 Å²	139	100.6 Å²	100.6	60%	0.604	51%	0.513	S	S	*	.			trans	-56	104.7	169.4	-97.2	-177.9	172.9	178	0	108.9	A102 L658 S660	K100-A102 PolarHBondContact O-N 3.22Å; K100-L658 HydrophobicContact CG-CD2 4.37Å; K100-S660 PolarHBondContact NZ-OG 2.9Å
101	S	41.8	Very low	52.1	Low	45 Å²	45	101.1 Å²	101.1	32%	0.315	51%	0.512	S	S	.	.			trans	-69.2	102.9	168.8	176.3	0	0	0	0	108	T99 V108	T99-S101 PolarHBondContact O-N 3.2Å; S101-V108 WeakPolarHBondContact OG-CG1 3.13Å
102	A	42.7	Very low	53.9	Low	69 Å²	69	93.5 Å²	93.5	57%	0.57	48%	0.477	S	S	*	.			trans	-52.9	148	164.7	0	0	0	0	0	109.2	K100 S104	K100-A102 PolarHBondContact O-N 3.22Å; A102-S104 PolarHBondContact O-N 2.86Å
103	T	45.7	Very low	56.4	Low	76 Å²	76	85.4 Å²	85.4	47%	0.466	45%	0.449	S	S	.	.			trans	-68.7	67.8	161.6	35.4	0	0	0	0	109.1	W547 R627	T103-W547 HydrophobicContact CG2-CG 4.31Å; T103-R627 PolarHBondContact OG1-NH1 3.41Å
104	S	50.2	Low	59.3	Low	52 Å²	52	77 Å²	77	36%	0.364	42%	0.421	S	S	.	.			trans	-80.8	144.4	170.8	63.5	0	0	0	0	108.9	A102 G106	A102-S104 PolarHBondContact O-N 2.86Å; S104-G106 PolarHBondContact O-N 3.2Å; S104-G106 VanDerWaalsContact O-N 3.1Å
105	T	66.9	Low	62.1	Low	125 Å²	125	73.3 Å²	73.3	77%	0.767	41%	0.409	S	S	*	.	S	Bend	trans	-71.7	9.1	174.4	48.8	0	0	0	0	114.1
106	G	82.2	Confident	64.9	Low	10 Å²	10	63.7 Å²	63.7	10%	0.103	36%	0.364	C	S	.	.	S	Bend	trans	-106.5	-167.4	179.4	0	0	0	0	0	113.9	S104 V108 R530	S104-G106 PolarHBondContact O-N 3.2Å; S104-G106 VanDerWaalsContact O-N 3.1Å; G106-V108 PolarHBondContact O-N 2.73Å; G106-R530 WeakPolarHBondContact CA-O 3.2Å
107	C	88.3	Confident	67.3	Low	18 Å²	18	61.1 Å²	61.1	12%	0.122	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64.3	120.7	176.8	-177.8	0	0	0	0	112.3	M268 L491 R530 C544	C107-M268 HydrophobicContact CB-CE 4.05Å; C107-M268 WeakPolarHBondContact O-CE 3.49Å; C107-M268 VanDerWaalsContact SG-CE 3.51Å; C107-L491 HydrophobicContact CB-CB 3.84Å; C107-L491 HydrophobicContact CB-CD2 3.96Å; C107-L491 HydrophobicContact CB-CG 4.38Å; C107-R530 PolarHBondContact N-O 3.19Å; C107-C544 HydrophobicContact CB-CB 3.82Å; C107-C544 WeakPolarHBondContact CB-SG 3.34Å; C107-C544 WeakPolarHBondContact SG-CB 3.33Å; C107-C544 CovalentContact SG-SG 2.02Å; C107-C544 PolarHBondContact SG-SG 2.86Å
108	V	84	Confident	69.6	Low	16 Å²	16	58.7 Å²	58.7	10%	0.097	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-93.1	127	167.8	-179.6	0	0	0	0	108.8	S101 G106 L545	S101-V108 WeakPolarHBondContact OG-CG1 3.13Å; G106-V108 PolarHBondContact O-N 2.73Å; V108-L545 HydrophobicContact CB-CB 4.14Å; V108-L545 WeakPolarHBondContact CB-O 3.41Å; V108-L545 HydrophobicContact CG1-CB 4.38Å; V108-L545 PolarHBondContact N-O 2.65Å; V108-L545 PolarHBondContact O-N 3.34Å
109	R	84.5	Confident	71.9	Confident	78 Å²	78	55.1 Å²	55.1	29%	0.294	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.4	131.7	-179.7	-175.5	-177.9	175.5	177.4	-1	110.9	E267 M268	R109-E267 IonicContact CZ-OE2 3.21Å; R109-E267 IonicContact NH1-OE2 3.05Å; R109-E267 PolarHBondContact NH1-OE2 3.39Å; R109-E267 IonicContact NH2-OE2 3.68Å; R109-E267 PolarHBondContact NH2-OE2 3.33Å; R109-M268 HydrophobicContact CB-CE 3.85Å; R109-M268 HydrophobicContact CB-CG 4.05Å; R109-M268 HydrophobicContact CB-SD 4.01Å; R109-M268 HydrophobicContact CG-CG 3.99Å
110	P	83	Confident	74.4	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.039	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-69.5	139.7	171.4	29.1	-34	0	0	0	111.3	Q112 L458 S543 L545	P110-Q112 PolarHBondContact O-N 3.07Å; P110-L458 HydrophobicContact CB-CD1 4.18Å; P110-L458 HydrophobicContact CB-CD2 3.85Å; P110-L458 HydrophobicContact CG-CD2 3.83Å; P110-S543 WeakPolarHBondContact CD-O 3.35Å; P110-S543 WeakPolarHBondContact CG-O 3.31Å; P110-L545 HydrophobicContact CB-CD1 4.18Å; P110-L545 HydrophobicContact CB-CD2 4.23Å; P110-L545 HydrophobicContact CB-CG 4.04Å
111	T	79.6	Confident	76.9	Confident	47 Å²	47	50.6 Å²	50.6	29%	0.288	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.8	131.2	172.2	-56.4	0	0	0	0	109.6	Y623	T111-Y623 HydrophobicContact CG2-CD2 4.13Å; T111-Y623 HydrophobicContact CG2-CG 4.34Å; T111-Y623 WeakPolarHBondContact O-CD2 3.14Å
112	Q	84.1	Confident	79.2	Confident	24 Å²	24	50.8 Å²	50.8	11%	0.112	30%	0.297	C	S	.	.			trans	-131.5	138.3	173	-61.9	174.6	-67.7	0	0	108.1	P110 R243 M244 L458	P110-Q112 PolarHBondContact O-N 3.07Å; Q112-R243 VanDerWaalsContact OE1-NH1 3.1Å; Q112-M244 HydrophobicContact CB-CG 4Å; Q112-M244 HydrophobicContact CB-SD 3.74Å; Q112-L458 HydrophobicContact CG-CB 4.47Å; Q112-L458 HydrophobicContact CG-CD1 4.48Å
113	N	83.3	Confident	81.5	Confident	57 Å²	57	49.1 Å²	49.1	31%	0.305	28%	0.279	S	S	.	.			trans	-105.3	125.9	179.3	-171.5	-19.4	0	0	0	109.9	N115 D116 Q455 Y623	N113-N115 PolarHBondContact O-N 2.87Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N113-N115 PolarHBondContact OD1-N 3.03Å; N113-D116 HydrophobicContact CB-CB 4.33Å; N113-D116 PolarHBondContact O-N 2.85Å; N113-Q455 PolarHBondContact O-NE2 3.18Å; N113-Q455 PolarHBondContact O-OE1 3.29Å; N113-Y623 HydrophobicContact CB-CE2 4.26Å; N113-Y623 WeakPolarHBondContact CB-OH 3.22Å
114	I	89.9	Confident	83.7	Confident	60 Å²	60	50.4 Å²	50.4	31%	0.308	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.2	176.6	-164.9	168.9	0	0	0	111.7	M247 R248	I114-M247 HydrophobicContact CD1-CB 3.99Å; I114-M247 HydrophobicContact CD1-CE 4.41Å; I114-R248 HydrophobicContact CD1-CG 4.39Å; I114-R248 HydrophobicContact CG1-CG 3.73Å; I114-R248 WeakPolarHBondContact O-CD 3.42Å; I114-R248 PolarHBondContact O-NH1 3.45Å
115	N	89.4	Confident	85.7	Confident	98 Å²	98	52.4 Å²	52.4	52%	0.524	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	44.3	179.1	-60.6	-36.9	0	0	0	112.1	N113 M120	N113-N115 PolarHBondContact O-N 2.87Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N113-N115 PolarHBondContact OD1-N 3.03Å; N115-M120 HydrophobicContact CB-CG 4.23Å; N115-M120 HydrophobicContact CB-SD 4.41Å
116	D	85.9	Confident	86.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.			trans	-57.2	137.2	177.2	175.1	-93	0	0	0	112.6	N113 E118 I119 M120 Q455	N113-D116 HydrophobicContact CB-CB 4.33Å; N113-D116 PolarHBondContact O-N 2.85Å; D116-E118 VanDerWaalsContact C-N 3.33Å; D116-E118 PolarHBondContact O-N 3.04Å; D116-E118 WeakPolarHBondContact OD1-CA 3.43Å; D116-E118 WeakPolarHBondContact OD1-CB 3.32Å; D116-E118 PolarHBondContact OD1-N 3.1Å; D116-I119 HydrophobicContact CB-CB 4.11Å; D116-I119 HydrophobicContact CB-CG1 4.05Å; D116-I119 PolarHBondContact O-N 3.22Å; D116-I119 WeakPolarHBondContact OD1-CG1 3.4Å; D116-I119 PolarHBondContact OD1-N 2.8Å; D116-M120 WeakPolarHBondContact O-CB 3.21Å; D116-M120 VanDerWaalsContact O-CG 3.23Å; D116-M120 WeakPolarHBondContact O-CG 3.43Å; D116-M120 PolarHBondContact O-N 2.96Å; D116-Q455 HydrophobicContact CB-CB 4.42Å
117	S	83.4	Confident	87.2	Confident	46 Å²	46	53.5 Å²	53.5	32%	0.322	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.4	-173	44.9	0	0	0	0	114.5	P121 K649	S117-P121 VanDerWaalsContact O-CD 3.25Å; S117-P121 WeakPolarHBondContact O-CD 3.24Å; S117-K649 WeakPolarHBondContact OG-CE 3.32Å
118	E	83.2	Confident	87.2	Confident	59 Å²	59	57.7 Å²	57.7	28%	0.276	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-31.8	174.3	-53.3	-171.9	108.7	0	0	111.1	D116 T453 K454 T648	D116-E118 VanDerWaalsContact C-N 3.33Å; D116-E118 PolarHBondContact O-N 3.04Å; D116-E118 WeakPolarHBondContact OD1-CA 3.43Å; D116-E118 WeakPolarHBondContact OD1-CB 3.32Å; D116-E118 PolarHBondContact OD1-N 3.1Å; E118-T453 HydrophobicContact CB-CG2 3.69Å; E118-K454 WeakPolarHBondContact OE2-CB 3.48Å; E118-K454 PolarHBondContact OE2-N 3.02Å; E118-T648 HydrophobicContact CG-CG2 3.55Å
119	I	86.4	Confident	87.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-46.2	-177.5	-63.8	-68.2	0	0	0	112.3	D116 P121 L122 I123 V450 T453 Q455	D116-I119 HydrophobicContact CB-CB 4.11Å; D116-I119 HydrophobicContact CB-CG1 4.05Å; D116-I119 PolarHBondContact O-N 3.22Å; D116-I119 WeakPolarHBondContact OD1-CG1 3.4Å; D116-I119 PolarHBondContact OD1-N 2.8Å; I119-P121 VanDerWaalsContact C-CD 3.43Å; I119-P121 VanDerWaalsContact C-N 3.35Å; I119-L122 WeakPolarHBondContact O-CA 3.47Å; I119-L122 VanDerWaalsContact O-CB 3.3Å; I119-L122 WeakPolarHBondContact O-CB 3.5Å; I119-L122 PolarHBondContact O-N 3.05Å; I119-I123 HydrophobicContact CG2-CD1 3.69Å; I119-I123 HydrophobicContact CG2-CG1 3.87Å; I119-I123 PolarHBondContact O-N 3.31Å; I119-V450 HydrophobicContact CD1-CB 4.1Å; I119-V450 HydrophobicContact CD1-CG1 3.54Å; I119-V450 HydrophobicContact CD1-CG2 4.02Å; I119-T453 HydrophobicContact CD1-CG2 4.16Å; I119-T453 WeakPolarHBondContact CD1-OG1 3.26Å; I119-Q455 HydrophobicContact CG1-CB 4.22Å
120	M	91.2	Very high	88	Confident	73 Å²	73	65.3 Å²	65.3	36%	0.36	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-55.5	-37.9	-170.5	-73.3	-52.6	-62	0	0	115	N115 D116 L122 I123	N115-M120 HydrophobicContact CB-CG 4.23Å; N115-M120 HydrophobicContact CB-SD 4.41Å; D116-M120 WeakPolarHBondContact O-CB 3.21Å; D116-M120 VanDerWaalsContact O-CG 3.23Å; D116-M120 WeakPolarHBondContact O-CG 3.43Å; D116-M120 PolarHBondContact O-N 2.96Å; M120-L122 PolarHBondContact O-N 3.03Å; M120-L122 VanDerWaalsContact O-N 3.17Å; M120-I123 PolarHBondContact O-N 2.72Å; M120-I123 VanDerWaalsContact O-N 3.14Å; M120-I123 HydrophobicContact SD-CG1 4.17Å
121	P	89.9	Confident	88.5	Confident	103 Å²	103	66.3 Å²	66.3	67%	0.669	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.5	174.3	-24.2	35.6	0	0	0	114.7	S117 I119	S117-P121 VanDerWaalsContact O-CD 3.25Å; S117-P121 WeakPolarHBondContact O-CD 3.24Å; I119-P121 VanDerWaalsContact C-CD 3.43Å; I119-P121 VanDerWaalsContact C-N 3.35Å
122	L	88.7	Confident	89.2	Confident	49 Å²	49	66.8 Å²	66.8	26%	0.257	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-92.3	-16.6	179.4	-51.3	176.2	0	0	0	112.1	I119 M120 H124 F409 N410 V450 T453	I119-L122 WeakPolarHBondContact O-CA 3.47Å; I119-L122 VanDerWaalsContact O-CB 3.3Å; I119-L122 WeakPolarHBondContact O-CB 3.5Å; I119-L122 PolarHBondContact O-N 3.05Å; M120-L122 PolarHBondContact O-N 3.03Å; M120-L122 VanDerWaalsContact O-N 3.17Å; L122-H124 PolarHBondContact O-ND1 3.4Å; L122-F409 HydrophobicContact CB-CZ 4.33Å; L122-F409 WeakPolarHBondContact O-CZ 3.41Å; L122-N410 PolarHBondContact O-ND2 2.86Å; L122-V450 HydrophobicContact CB-CG2 3.96Å; L122-V450 HydrophobicContact CD1-CB 4.37Å; L122-V450 HydrophobicContact CD1-CG2 3.71Å; L122-V450 HydrophobicContact CG-CG2 4.5Å; L122-T453 HydrophobicContact CD1-CG2 4.11Å
123	I	91.3	Very high	89.4	Confident	35 Å²	35	73.6 Å²	73.6	18%	0.179	41%	0.409	C	S	.	.			trans	-82	122.9	179.3	-53	-53.8	0	0	0	109.3	I119 M120 F409	I119-I123 HydrophobicContact CG2-CD1 3.69Å; I119-I123 HydrophobicContact CG2-CG1 3.87Å; I119-I123 PolarHBondContact O-N 3.31Å; M120-I123 PolarHBondContact O-N 2.72Å; M120-I123 VanDerWaalsContact O-N 3.14Å; M120-I123 HydrophobicContact SD-CG1 4.17Å; I123-F409 HydrophobicContact CD1-CE2 3.48Å; I123-F409 VanDerWaalsContact CD1-CE2 3.48Å; I123-F409 HydrophobicContact CD1-CZ 4.03Å
124	H	92	Very high	89.6	Confident	103 Å²	103	76.1 Å²	76.1	48%	0.477	42%	0.419	S	S	.	.			trans	-143.9	149.4	173.6	59.3	-87.1	0	0	0	110.2	L122 K249 N410	L122-H124 PolarHBondContact O-ND1 3.4Å; H124-K249 PolarHBondContact O-NZ 2.86Å; H124-N410 PolarHBondContact CE1-ND2 2.87Å; H124-N410 PolarHBondContact N-OD1 2.93Å; H124-N410 VanDerWaalsContact N-OD1 3.17Å; H124-N410 PolarHBondContact ND1-ND2 3.25Å; H124-N410 PolarHBondContact O-OD1 3.25Å; H124-N410 VanDerWaalsContact O-OD1 3.07Å
125	S	92.7	Very high	89.7	Confident	93 Å²	93	76.7 Å²	76.7	65%	0.65	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-70.8	144.1	178.6	-78	0	0	0	0	112	E413	S125-E413 WeakPolarHBondContact CA-OE2 3.46Å; S125-E413 PolarHBondContact OG-OE1 3.07Å
126	F	89.6	Confident	90	Very high	64 Å²	64	72.5 Å²	72.5	28%	0.281	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-92.9	136.6	177.2	-158	-89.2	0	0	0	110.5	D408 R411 E413 L414	F126-D408 WeakPolarHBondContact CE2-OD2 3.29Å; F126-R411 HydrophobicContact CD1-CG 4.39Å; F126-R411 HydrophobicContact CD2-CB 4.03Å; F126-R411 HydrophobicContact CE1-CG 4.14Å; F126-R411 HydrophobicContact CE2-CB 3.99Å; F126-R411 HydrophobicContact CE2-CG 4.27Å; F126-R411 HydrophobicContact CG-CB 4.37Å; F126-R411 HydrophobicContact CZ-CB 4.31Å; F126-R411 HydrophobicContact CZ-CG 4.07Å; F126-E413 PolarHBondContact N-OE2 3.23Å; F126-L414 HydrophobicContact CD1-CD1 3.54Å; F126-L414 HydrophobicContact CD1-CD2 4.14Å; F126-L414 HydrophobicContact CD1-CG 3.83Å; F126-L414 HydrophobicContact CE1-CD1 3.7Å; F126-L414 HydrophobicContact CE1-CG 4.48Å
127	S	90	Very high	90.3	Very high	94 Å²	94	72.9 Å²	72.9	66%	0.657	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-64.4	141.9	178.8	-67.6	0	0	0	0	111	L129	S127-L129 PolarHBondContact O-N 2.77Å
128	P	90.2	Very high	90.8	Very high	107 Å²	107	70.8 Å²	70.8	70%	0.695	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-51.9	137.3	176.3	-27.2	34.5	0	0	0	112.5	K130	P128-K130 PolarHBondContact O-N 2.94Å
129	L	92.4	Very high	91.4	Very high	56 Å²	56	69.7 Å²	69.7	29%	0.293	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-64.8	129	178.3	-174.7	65	0	0	0	110.5	S127 L367 Y404 L414	S127-L129 PolarHBondContact O-N 2.77Å; L129-L367 HydrophobicContact CD1-CB 3.85Å; L129-L367 HydrophobicContact CD1-CD1 4.01Å; L129-L367 HydrophobicContact CD2-CB 4.14Å; L129-L367 WeakPolarHBondContact CD2-O 3.35Å; L129-Y404 WeakPolarHBondContact CD2-OH 3.4Å; L129-L414 HydrophobicContact CB-CD1 4.07Å
130	K	91.5	Very high	91.9	Very high	197 Å²	197	69.9 Å²	69.9	86%	0.857	39%	0.391	S	S	*	.			trans	-105.1	92.4	176.2	-65.8	-177.2	-178.2	179.1	0	109.9	P128	P128-K130 PolarHBondContact O-N 2.94Å
131	C	95	Very high	92.1	Very high	27 Å²	27	69.9 Å²	69.9	18%	0.182	39%	0.387	C	S	.	.			trans	-80	-178.1	168.3	-59.5	0	0	0	0	110.9	N133 C368 G370	C131-N133 PolarHBondContact O-N 2.73Å; C131-C368 WeakPolarHBondContact CA-SG 3.33Å; C131-C368 HydrophobicContact CB-CB 3.68Å; C131-C368 WeakPolarHBondContact CB-SG 3.43Å; C131-C368 WeakPolarHBondContact SG-CB 3.06Å; C131-C368 CovalentContact SG-SG 2.04Å; C131-C368 PolarHBondContact SG-SG 2.98Å; C131-G370 WeakPolarHBondContact CB-O 3.19Å
132	S	92.9	Very high	92.3	Very high	58 Å²	58	68.5 Å²	68.5	41%	0.406	37%	0.374	S	S	.	.			trans	-57.4	136.3	179	-175.9	0	0	0	0	111.4	E134 G370 S371	S132-E134 PolarHBondContact OG-N 2.71Å; S132-E134 VanDerWaalsContact OG-N 3.13Å; S132-E134 PolarHBondContact OG-O 3.24Å; S132-G370 VanDerWaalsContact CB-O 3.27Å; S132-G370 WeakPolarHBondContact CB-O 3.4Å; S132-G370 PolarHBondContact N-O 3.21Å; S132-S371 WeakPolarHBondContact O-CA 3.44Å; S132-S371 WeakPolarHBondContact O-CB 3.47Å
133	N	88.6	Confident	92.7	Very high	167 Å²	167	66.5 Å²	66.5	89%	0.893	37%	0.365	S	S	*	.	S	Bend	trans	-72.7	-22.2	170.8	-68.8	-21.6	0	0	0	112	C131	C131-N133 PolarHBondContact O-N 2.73Å
134	E	88.4	Confident	93	Very high	109 Å²	109	68.8 Å²	68.8	51%	0.509	37%	0.374	S	S	.	.	S	Bend	trans	-78.5	121.4	175.6	-62	-165.4	155.5	0	0	109.4	S132 K202 S371	S132-E134 PolarHBondContact OG-N 2.71Å; S132-E134 VanDerWaalsContact OG-N 3.13Å; S132-E134 PolarHBondContact OG-O 3.24Å; E134-K202 IonicContact OE1-NZ 3.64Å; E134-S371 WeakPolarHBondContact O-CB 3.49Å
135	S	91.7	Very high	93.2	Very high	73 Å²	73	63.9 Å²	63.9	51%	0.51	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-60	144.4	178.5	-60.3	0	0	0	0	111.7	W137	S135-W137 PolarHBondContact O-N 2.95Å
136	N	94.1	Very high	93.3	Very high	10 Å²	10	62.5 Å²	62.5	5%	0.053	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-57.4	125.6	171.5	-74.9	-22.5	0	0	0	110.5	F138 M148 N206 L369 G370 S371 E372	N136-F138 PolarHBondContact O-N 3.18Å; N136-M148 WeakPolarHBondContact O-CB 3.34Å; N136-M148 WeakPolarHBondContact O-CG 3.13Å; N136-N206 VanDerWaalsContact CG-ND2 3.32Å; N136-N206 PolarHBondContact ND2-ND2 3.01Å; N136-N206 PolarHBondContact OD1-ND2 2.87Å; N136-L369 PolarHBondContact ND2-O 3.49Å; N136-L369 VanDerWaalsContact ND2-O 3.15Å; N136-G370 WeakPolarHBondContact OD1-CA 3.46Å; N136-S371 PolarHBondContact N-OG 3.15Å; N136-S371 VanDerWaalsContact N-OG 3.07Å; N136-S371 PolarHBondContact OD1-N 2.83Å; N136-E372 PolarHBondContact ND2-OE2 2.9Å
137	W	93.3	Very high	93.5	Very high	7 Å²	7	61 Å²	61	3%	0.027	33%	0.331	C	S	.	.	S	Bend	trans	-68.9	-24.6	-178.7	-65.3	7.3	0	0	0	112.6	S135 L147 M148 A151 P153 I158 C196 A198 Y204	S135-W137 PolarHBondContact O-N 2.95Å; W137-L147 WeakPolarHBondContact O-CD1 3.35Å; W137-M148 WeakPolarHBondContact O-CB 3.1Å; W137-M148 PolarHBondContact O-N 2.94Å; W137-A151 PolarHBondContact NE1-O 3.24Å; W137-P153 HydrophobicContact CZ2-CG 4.26Å; W137-I158 HydrophobicContact CE3-CD1 4.46Å; W137-I158 HydrophobicContact CE3-CG2 4.4Å; W137-I158 HydrophobicContact CZ3-CB 4.48Å; W137-I158 HydrophobicContact CZ3-CG2 3.92Å; W137-C196 HydrophobicContact CE3-CB 3.73Å; W137-C196 HydrophobicContact CZ3-CB 3.56Å; W137-A198 HydrophobicContact CH2-CB 3.74Å; W137-A198 HydrophobicContact CZ3-CB 4.2Å; W137-Y204 HydrophobicContact CB-CD1 3.9Å; W137-Y204 HydrophobicContact CB-CD2 4.34Å; W137-Y204 HydrophobicContact CB-CE1 3.88Å; W137-Y204 HydrophobicContact CB-CE2 4.35Å; W137-Y204 HydrophobicContact CB-CG 4.12Å; W137-Y204 HydrophobicContact CD2-CD1 4.17Å; W137-Y204 HydrophobicContact CD2-CD2 4.26Å; W137-Y204 AromaticContact CD2-CG 3.75Å; W137-Y204 HydrophobicContact CD2-CG 3.75Å; W137-Y204 HydrophobicContact CE3-CD1 4.19Å; W137-Y204 HydrophobicContact CE3-CG 4.03Å; W137-Y204 HydrophobicContact CG-CD1 4.08Å; W137-Y204 AromaticContact CG-CD2 3.97Å; W137-Y204 HydrophobicContact CG-CD2 3.97Å; W137-Y204 HydrophobicContact CG-CE1 4.45Å; W137-Y204 HydrophobicContact CG-CE2 4.38Å; W137-Y204 AromaticContact CG-CG 3.81Å; W137-Y204 HydrophobicContact CG-CG 3.81Å
138	F	94.7	Very high	93.6	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.5	176.6	-72.4	-91.9	0	0	0	110.3	N136 L145 I146 L147 I158 C160 I194 Y204 H208	N136-F138 PolarHBondContact O-N 3.18Å; F138-L145 HydrophobicContact CB-CD1 4Å; F138-L145 HydrophobicContact CD1-CD1 3.6Å; F138-L145 HydrophobicContact CD1-CD2 3.76Å; F138-L145 HydrophobicContact CD1-CG 3.55Å; F138-L145 HydrophobicContact CE1-CD1 4.38Å; F138-L145 HydrophobicContact CE1-CD2 3.68Å; F138-L145 HydrophobicContact CE1-CG 3.95Å; F138-L145 HydrophobicContact CG-CD1 4.09Å; F138-L145 HydrophobicContact CG-CG 4.5Å; F138-I146 CarbonylContact C-O 3.52Å; F138-I146 VanDerWaalsContact CA-O 3.3Å; F138-I146 WeakPolarHBondContact CA-O 3.29Å; F138-L147 HydrophobicContact CD1-CB 4.2Å; F138-L147 HydrophobicContact CD1-CD1 4.1Å; F138-L147 HydrophobicContact CD2-CD1 4.24Å; F138-L147 HydrophobicContact CE1-CB 3.88Å; F138-L147 HydrophobicContact CE1-CD1 3.61Å; F138-L147 HydrophobicContact CE1-CG 4.32Å; F138-L147 HydrophobicContact CE2-CD1 3.72Å; F138-L147 HydrophobicContact CG-CD1 4.44Å; F138-L147 HydrophobicContact CZ-CD1 3.42Å; F138-L147 VanDerWaalsContact CZ-CD1 3.42Å; F138-L147 HydrophobicContact CZ-CG 4.49Å; F138-I158 HydrophobicContact CE2-CD1 4.42Å; F138-C160 HydrophobicContact CE2-CB 4.33Å; F138-C160 VanDerWaalsContact CE2-SG 3.55Å; F138-C160 HydrophobicContact CZ-CB 4.33Å; F138-I194 HydrophobicContact CB-CD1 4.31Å; F138-I194 HydrophobicContact CD1-CD1 4.03Å; F138-I194 HydrophobicContact CD2-CD1 3.41Å; F138-I194 VanDerWaalsContact CD2-CD1 3.41Å; F138-I194 HydrophobicContact CD2-CG1 4.35Å; F138-I194 HydrophobicContact CE1-CD1 4.11Å; F138-I194 HydrophobicContact CE2-CD1 3.54Å; F138-I194 HydrophobicContact CE2-CG1 4.47Å; F138-I194 HydrophobicContact CG-CD1 3.64Å; F138-I194 HydrophobicContact CZ-CD1 3.85Å; F138-Y204 HydrophobicContact CD2-CE1 4.12Å; F138-H208 PolarHBondContact O-CE1 2.81Å
139	T	95	Very high	93.2	Very high	35 Å²	35	61.4 Å²	61.4	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	173.9	160.8	-170.2	0	0	0	0	108.6	I146 M148	T139-I146 HydrophobicContact CG2-CB 3.77Å; T139-I146 HydrophobicContact CG2-CD1 4.32Å; T139-I146 HydrophobicContact CG2-CG2 4.14Å; T139-I146 PolarHBondContact N-O 3.08Å; T139-I146 PolarHBondContact O-N 2.99Å; T139-M148 HydrophobicContact CG2-CG 4.45Å; T139-M148 HydrophobicContact CG2-SD 3.72Å
140	A	96.5	Very high	92.7	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.033	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.3	172.6	0	0	0	0	0	111.4	K144 L187 F192 T210	A140-K144 WeakPolarHBondContact CA-O 3.49Å; A140-K144 WeakPolarHBondContact CB-O 3.44Å; A140-L187 HydrophobicContact CB-CD1 3.92Å; A140-F192 HydrophobicContact CB-CE1 3.68Å; A140-F192 HydrophobicContact CB-CZ 3.74Å; A140-T210 HydrophobicContact CB-CG2 3.91Å
141	R	96	Very high	92.2	Very high	74 Å²	74	59.5 Å²	59.5	28%	0.279	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	143.5	178.1	-70.1	-63.4	-173.6	164.9	1.4	109.7	G143 K144 I146 T210 S380 E383 D384	R141-G143 PolarHBondContact O-N 2.87Å; R141-K144 PolarHBondContact N-O 3.49Å; R141-K144 VanDerWaalsContact N-O 3.08Å; R141-K144 PolarHBondContact O-N 3.29Å; R141-I146 HydrophobicContact CB-CD1 4.1Å; R141-T210 WeakPolarHBondContact CA-OG1 2.97Å; R141-T210 PolarHBondContact N-OG1 3.23Å; R141-S380 PolarHBondContact NH1-O 3.47Å; R141-S380 PolarHBondContact NH2-OG 3.4Å; R141-E383 IonicContact NH1-OE2 3.7Å; R141-E383 IonicContact NH2-OE2 2.69Å; R141-D384 WeakPolarHBondContact CA-OD1 3.26Å; R141-D384 WeakPolarHBondContact CD-OD1 3.43Å
142	N	94.4	Very high	91.3	Very high	74 Å²	74	59.1 Å²	59.1	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	41.1	179.2	-54	-45.4	0	0	0	113.6	K144 T210 I211 D384 T388	N142-K144 PolarHBondContact O-N 3.25Å; N142-T210 PolarHBondContact N-OG1 2.68Å; N142-I211 CarbonylContact C-O 3.55Å; N142-D384 PolarHBondContact N-OD1 2.72Å; N142-D384 PolarHBondContact N-OD2 3.12Å; N142-T388 WeakPolarHBondContact CA-OG1 3.36Å; N142-T388 PolarHBondContact OD1-OG1 2.78Å; N142-T388 VanDerWaalsContact OD1-OG1 3.14Å
143	G	95.9	Very high	90.2	Very high	6 Å²	6	58.1 Å²	58.1	6%	0.062	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	19.3	178.9	0	0	0	0	0	114	R141 L187 T210 I211	R141-G143 PolarHBondContact O-N 2.87Å; G143-L187 WeakPolarHBondContact O-CB 3.43Å; G143-L187 PolarHBondContact O-N 3.07Å; G143-T210 PolarHBondContact N-OG1 3.23Å; G143-T210 VanDerWaalsContact N-OG1 3.08Å; G143-I211 WeakPolarHBondContact CA-O 3.14Å; G143-I211 PolarHBondContact N-O 2.85Å
144	K	97.2	Very high	89.1	Confident	84 Å²	84	59.3 Å²	59.3	37%	0.365	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.8	179	-66.1	-178.1	165.6	-158.5	0	111.8	A140 R141 N142 N184 M185	A140-K144 WeakPolarHBondContact CA-O 3.49Å; A140-K144 WeakPolarHBondContact CB-O 3.44Å; R141-K144 PolarHBondContact N-O 3.49Å; R141-K144 VanDerWaalsContact N-O 3.08Å; R141-K144 PolarHBondContact O-N 3.29Å; N142-K144 PolarHBondContact O-N 3.25Å; K144-N184 WeakPolarHBondContact CD-OD1 3.27Å; K144-N184 PolarHBondContact NZ-OD1 3.01Å; K144-M185 WeakPolarHBondContact CA-O 3.39Å
145	L	96.9	Very high	87.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	169.6	-172.4	65.9	0	0	0	109.7	F138 L162 A181 N184 M185 L187 F192 I194	F138-L145 HydrophobicContact CB-CD1 4Å; F138-L145 HydrophobicContact CD1-CD1 3.6Å; F138-L145 HydrophobicContact CD1-CD2 3.76Å; F138-L145 HydrophobicContact CD1-CG 3.55Å; F138-L145 HydrophobicContact CE1-CD1 4.38Å; F138-L145 HydrophobicContact CE1-CD2 3.68Å; F138-L145 HydrophobicContact CE1-CG 3.95Å; F138-L145 HydrophobicContact CG-CD1 4.09Å; F138-L145 HydrophobicContact CG-CG 4.5Å; L145-L162 HydrophobicContact CD1-CD1 4.35Å; L145-L162 HydrophobicContact CD2-CD1 4.02Å; L145-A181 HydrophobicContact CD2-CB 3.86Å; L145-N184 WeakPolarHBondContact O-CA 3.4Å; L145-N184 PolarHBondContact O-N 3.12Å; L145-M185 HydrophobicContact CB-CG 3.8Å; L145-M185 HydrophobicContact CD2-CG 4.11Å; L145-M185 HydrophobicContact CD2-SD 4.05Å; L145-M185 PolarHBondContact N-O 2.79Å; L145-L187 HydrophobicContact CB-CD2 4.31Å; L145-F192 HydrophobicContact CD1-CE2 3.56Å; L145-F192 HydrophobicContact CD1-CZ 3.45Å; L145-F192 VanDerWaalsContact CD1-CZ 3.45Å; L145-I194 HydrophobicContact CD1-CD1 4.4Å; L145-I194 HydrophobicContact CD2-CD1 4.26Å
146	I	95.7	Very high	86.2	Confident	64 Å²	64	60 Å²	60	33%	0.328	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	120.4	179.4	-58.3	170.2	0	0	0	108.2	F138 T139 R141 M148 D183	F138-I146 CarbonylContact C-O 3.52Å; F138-I146 VanDerWaalsContact CA-O 3.3Å; F138-I146 WeakPolarHBondContact CA-O 3.29Å; T139-I146 HydrophobicContact CG2-CB 3.77Å; T139-I146 HydrophobicContact CG2-CD1 4.32Å; T139-I146 HydrophobicContact CG2-CG2 4.14Å; T139-I146 PolarHBondContact N-O 3.08Å; T139-I146 PolarHBondContact O-N 2.99Å; R141-I146 HydrophobicContact CB-CD1 4.1Å; I146-M148 HydrophobicContact CG2-SD 4.49Å; I146-D183 WeakPolarHBondContact CA-OD1 3.47Å
147	L	93	Very high	85.5	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.3	174.5	180	64.9	0	0	0	109.8	W137 F138 Q149 V152 I158 D183	W137-L147 WeakPolarHBondContact O-CD1 3.35Å; F138-L147 HydrophobicContact CD1-CB 4.2Å; F138-L147 HydrophobicContact CD1-CD1 4.1Å; F138-L147 HydrophobicContact CD2-CD1 4.24Å; F138-L147 HydrophobicContact CE1-CB 3.88Å; F138-L147 HydrophobicContact CE1-CD1 3.61Å; F138-L147 HydrophobicContact CE1-CG 4.32Å; F138-L147 HydrophobicContact CE2-CD1 3.72Å; F138-L147 HydrophobicContact CG-CD1 4.44Å; F138-L147 HydrophobicContact CZ-CD1 3.42Å; F138-L147 VanDerWaalsContact CZ-CD1 3.42Å; F138-L147 HydrophobicContact CZ-CG 4.49Å; L147-Q149 PolarHBondContact O-N 2.98Å; L147-Q149 VanDerWaalsContact O-N 3.14Å; L147-V152 HydrophobicContact CD1-CG2 3.79Å; L147-V152 HydrophobicContact CG-CG2 4.39Å; L147-I158 HydrophobicContact CD1-CD1 3.85Å; L147-D183 HydrophobicContact CB-CB 3.76Å; L147-D183 PolarHBondContact N-OD1 3.05Å
148	M	91.5	Very high	85.2	Confident	76 Å²	76	65.8 Å²	65.8	37%	0.374	34%	0.342	S	S	.	.			trans	-85.6	84	176.9	-58.5	-60.7	-68.4	0	0	108.7	N136 W137 T139 I146 E150 A151	N136-M148 WeakPolarHBondContact O-CB 3.34Å; N136-M148 WeakPolarHBondContact O-CG 3.13Å; W137-M148 WeakPolarHBondContact O-CB 3.1Å; W137-M148 PolarHBondContact O-N 2.94Å; T139-M148 HydrophobicContact CG2-CG 4.45Å; T139-M148 HydrophobicContact CG2-SD 3.72Å; I146-M148 HydrophobicContact CG2-SD 4.49Å; M148-E150 PolarHBondContact O-N 3.14Å; M148-A151 HydrophobicContact CB-CB 3.97Å; M148-A151 WeakPolarHBondContact O-CB 3.38Å; M148-A151 PolarHBondContact O-N 2.04Å
149	Q	81.6	Confident	85.1	Confident	134 Å²	134	73.3 Å²	73.3	63%	0.626	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-53.1	-34.6	-170.6	-146.8	71.4	8.1	0	0	113.9	L147 A151 V152	L147-Q149 PolarHBondContact O-N 2.98Å; L147-Q149 VanDerWaalsContact O-N 3.14Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.32Å; Q149-V152 PolarHBondContact O-N 3.25Å
150	E	82.6	Confident	85.1	Confident	191 Å²	191	72.1 Å²	72.1	89%	0.893	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-70	-23.8	179.7	-62.3	151.9	-164.2	0	0	113.2	M148	M148-E150 PolarHBondContact O-N 3.14Å
151	A	81	Confident	85.1	Confident	22 Å²	22	76.5 Å²	76.5	18%	0.182	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-86.9	-18.3	179.9	0	0	0	0	0	112.6	W137 M148 Q149	W137-A151 PolarHBondContact NE1-O 3.24Å; M148-A151 HydrophobicContact CB-CB 3.97Å; M148-A151 WeakPolarHBondContact O-CB 3.38Å; M148-A151 PolarHBondContact O-N 2.04Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.32Å
152	V	76.7	Confident	85.2	Confident	18 Å²	18	73.2 Å²	73.2	11%	0.109	38%	0.378	C	S	.	.	S	Bend	trans	-76.4	135.1	177.6	-175.9	0	0	0	0	109.2	L147 Q149 Q154 I158	L147-V152 HydrophobicContact CD1-CG2 3.79Å; L147-V152 HydrophobicContact CG-CG2 4.39Å; Q149-V152 PolarHBondContact O-N 3.25Å; V152-Q154 PolarHBondContact O-N 3Å; V152-I158 HydrophobicContact CG1-CD1 4.15Å; V152-I158 HydrophobicContact CG1-CG2 3.6Å; V152-I158 HydrophobicContact CG2-CD1 4.01Å
153	P	69.9	Low	85.4	Confident	37 Å²	37	71 Å²	71	24%	0.24	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-53.3	125.4	175	-23.4	32.2	0	0	0	111.2	W137 N155 A156 K202	W137-P153 HydrophobicContact CZ2-CG 4.26Å; P153-N155 PolarHBondContact O-N 2.69Å; P153-A156 HydrophobicContact CB-CB 3.99Å; P153-A156 WeakPolarHBondContact O-CB 3.38Å; P153-A156 PolarHBondContact O-N 3.07Å; P153-K202 HydrophobicContact CG-CD 4.07Å
154	Q	64.4	Low	85.5	Confident	192 Å²	192	70.7 Å²	70.7	90%	0.897	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	128.3	-176.6	-71.4	-176.4	-4.9	0	0	111.3	V152 A156	V152-Q154 PolarHBondContact O-N 3Å; Q154-A156 PolarHBondContact O-N 2.72Å
155	N	57	Low	85.5	Confident	175 Å²	175	66.8 Å²	66.8	94%	0.936	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	9.4	-178.8	-62.1	-19.4	0	0	0	117	P153	P153-N155 PolarHBondContact O-N 2.69Å
156	A	63.3	Low	85.5	Confident	21 Å²	21	68.4 Å²	68.4	17%	0.174	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-82	123.8	173.3	0	0	0	0	0	110.8	P153 Q154 I158 A198 A199	P153-A156 HydrophobicContact CB-CB 3.99Å; P153-A156 WeakPolarHBondContact O-CB 3.38Å; P153-A156 PolarHBondContact O-N 3.07Å; Q154-A156 PolarHBondContact O-N 2.72Å; A156-I158 PolarHBondContact O-N 2.95Å; A156-A198 HydrophobicContact CB-CB 4.25Å; A156-A199 HydrophobicContact CB-CB 4.37Å
157	S	78.1	Confident	85.5	Confident	98 Å²	98	67.1 Å²	67.1	69%	0.685	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-64.4	123.1	159	48.8	0	0	0	0	108.1
158	I	88.2	Confident	85.6	Confident	41 Å²	41	69.5 Å²	69.5	21%	0.21	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.7	173.2	64.2	177.3	0	0	0	109.4	W137 F138 L147 V152 A156 A197 A198	W137-I158 HydrophobicContact CE3-CD1 4.46Å; W137-I158 HydrophobicContact CE3-CG2 4.4Å; W137-I158 HydrophobicContact CZ3-CB 4.48Å; W137-I158 HydrophobicContact CZ3-CG2 3.92Å; F138-I158 HydrophobicContact CE2-CD1 4.42Å; L147-I158 HydrophobicContact CD1-CD1 3.85Å; V152-I158 HydrophobicContact CG1-CD1 4.15Å; V152-I158 HydrophobicContact CG1-CG2 3.6Å; V152-I158 HydrophobicContact CG2-CD1 4.01Å; A156-I158 PolarHBondContact O-N 2.95Å; I158-A197 WeakPolarHBondContact CA-O 3.21Å; I158-A198 HydrophobicContact CG2-CB 3.85Å
159	Q	92	Very high	85.8	Confident	162 Å²	162	68.3 Å²	68.3	76%	0.757	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.4	168.6	-70.2	-178.8	-16.6	0	0	107.6	C196 A197	Q159-C196 CarbonylContact O-C 3.52Å; Q159-C196 WeakPolarHBondContact O-CA 3Å; Q159-A197 PolarHBondContact N-O 3.08Å; Q159-A197 PolarHBondContact O-N 2.86Å
160	C	95.4	Very high	86.4	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.4	-173.2	-66.2	0	0	0	0	110.9	F138 A181 I194 Q195 C196	F138-C160 HydrophobicContact CE2-CB 4.33Å; F138-C160 VanDerWaalsContact CE2-SG 3.55Å; F138-C160 HydrophobicContact CZ-CB 4.33Å; C160-A181 HydrophobicContact CB-CB 3.7Å; C160-A181 PolarHBondContact O-N 3.18Å; C160-I194 HydrophobicContact CB-CD1 4.47Å; C160-I194 HydrophobicContact CB-CG1 4.47Å; C160-Q195 CarbonylContact C-O 3.58Å; C160-Q195 VanDerWaalsContact CA-O 3.32Å; C160-Q195 WeakPolarHBondContact CA-O 3.33Å; C160-C196 HydrophobicContact CB-CB 4.09Å; C160-C196 WeakPolarHBondContact CB-SG 3.36Å; C160-C196 WeakPolarHBondContact SG-CB 3.39Å; C160-C196 CovalentContact SG-SG 2.04Å; C160-C196 PolarHBondContact SG-SG 2.64Å
161	E	97.3	Very high	87	Confident	97 Å²	97	57 Å²	57	45%	0.453	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.9	171.3	-65.5	-173.8	160.2	0	0	109.8	R178 S179 I194 Q195	E161-R178 WeakPolarHBondContact OE2-CD 3.3Å; E161-R178 IonicContact OE2-CZ 3.98Å; E161-R178 IonicContact OE2-NH1 3.02Å; E161-R178 PolarHBondContact OE2-NH1 2.91Å; E161-S179 WeakPolarHBondContact CA-O 3.44Å; E161-I194 WeakPolarHBondContact O-CA 3.5Å; E161-Q195 PolarHBondContact N-O 2.93Å; E161-Q195 PolarHBondContact O-N 3.49Å
162	L	97.7	Very high	87.6	Confident	4 Å²	4	59 Å²	59	2%	0.021	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.3	173.1	-175.6	148.4	0	0	0	109.2	L145 P164 R178 S179 A181 L187 F192 K193	L145-L162 HydrophobicContact CD1-CD1 4.35Å; L145-L162 HydrophobicContact CD2-CD1 4.02Å; L162-P164 HydrophobicContact CD2-CG 3.78Å; L162-R178 WeakPolarHBondContact O-CA 3.29Å; L162-S179 PolarHBondContact N-O 3.47Å; L162-S179 PolarHBondContact O-N 2.66Å; L162-A181 HydrophobicContact CB-CB 3.93Å; L162-L187 HydrophobicContact CD1-CD2 3.47Å; L162-L187 VanDerWaalsContact CD1-CD2 3.47Å; L162-L187 HydrophobicContact CD2-CD2 4.35Å; L162-F192 HydrophobicContact CD1-CB 4.23Å; L162-F192 HydrophobicContact CD1-CD1 4.39Å; L162-F192 HydrophobicContact CD1-CD2 3.37Å; L162-F192 HydrophobicContact CD1-CE2 3.69Å; L162-F192 HydrophobicContact CD1-CG 3.74Å; L162-F192 HydrophobicContact CD1-CZ 4.34Å; L162-F192 HydrophobicContact CD2-CB 3.86Å; L162-F192 HydrophobicContact CD2-CD2 4.48Å; L162-F192 HydrophobicContact CD2-CG 4.27Å; L162-F192 HydrophobicContact CG-CB 3.89Å; L162-F192 HydrophobicContact CG-CD2 3.66Å; L162-F192 HydrophobicContact CG-CE2 4.43Å; L162-F192 HydrophobicContact CG-CG 3.94Å; L162-K193 WeakPolarHBondContact CA-O 3.46Å
163	Q	97.9	Very high	88.5	Confident	27 Å²	27	59.4 Å²	59.4	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106	175.5	-173.8	167.9	33.7	0	0	109.5	T175 R178 F192 K193	Q163-T175 HydrophobicContact CG-CG2 4.03Å; Q163-T175 PolarHBondContact NE2-OG1 2.94Å; Q163-R178 HydrophobicContact CB-CG 4.13Å; Q163-R178 HydrophobicContact CG-CG 4.25Å; Q163-F192 VanDerWaalsContact O-CA 3.29Å; Q163-F192 WeakPolarHBondContact O-CA 3.17Å; Q163-F192 WeakPolarHBondContact O-CB 3.02Å; Q163-K193 HydrophobicContact CB-CB 4.46Å; Q163-K193 PolarHBondContact N-O 3.02Å; Q163-K193 PolarHBondContact O-N 3.19Å
164	P	98.3	Very high	89.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	144	177.2	-18.6	31.7	0	0	0	111.7	L162 T175 L176 T189	L162-P164 HydrophobicContact CD2-CG 3.78Å; P164-T175 VanDerWaalsContact O-CA 3.32Å; P164-T175 WeakPolarHBondContact O-CA 3.49Å; P164-L176 HydrophobicContact CB-CB 3.99Å; P164-L176 HydrophobicContact CB-CD1 3.98Å; P164-L176 HydrophobicContact CB-CG 4.1Å; P164-L176 HydrophobicContact CG-CB 4.05Å; P164-L176 HydrophobicContact CG-CD1 4.41Å; P164-L176 PolarHBondContact O-N 3.19Å; P164-T189 HydrophobicContact CB-CG2 4.07Å; P164-T189 WeakPolarHBondContact CB-OG1 3.35Å
165	I	98.1	Very high	91.3	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.7	179.4	-56	158.4	0	0	0	108.5	V173 F191 N352 K356	I165-V173 HydrophobicContact CG2-CB 4.28Å; I165-F191 HydrophobicContact CB-CB 3.99Å; I165-F191 HydrophobicContact CD1-CB 4.27Å; I165-F191 PolarHBondContact N-O 3.21Å; I165-N352 HydrophobicContact CG2-CB 4.41Å; I165-K356 HydrophobicContact CD1-CB 3.88Å; I165-K356 HydrophobicContact CD1-CG 3.6Å; I165-K356 HydrophobicContact CG1-CB 4.46Å; I165-K356 HydrophobicContact CG1-CG 4.05Å; I165-K356 HydrophobicContact CG2-CB 4.2Å
166	V	96.2	Very high	93.2	Very high	34 Å²	34	50.5 Å²	50.5	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.5	-179.4	-65.3	0	0	0	0	111.8	N168 K174 L176 T189	V166-N168 PolarHBondContact O-N 3.06Å; V166-K174 HydrophobicContact CG2-CB 3.81Å; V166-K174 HydrophobicContact CG2-CD 4.28Å; V166-K174 HydrophobicContact CG2-CG 3.93Å; V166-K174 VanDerWaalsContact CG2-O 3.32Å; V166-K174 WeakPolarHBondContact CG2-O 3.44Å; V166-K174 PolarHBondContact N-O 3.07Å; V166-K174 PolarHBondContact O-N 3Å; V166-K174 VanDerWaalsContact O-N 3.12Å; V166-L176 HydrophobicContact CG1-CD1 4.09Å; V166-L176 HydrophobicContact CG1-CD2 4.3Å; V166-L176 HydrophobicContact CG1-CG 4.09Å; V166-L176 HydrophobicContact CG2-CD2 4.05Å; V166-L176 HydrophobicContact CG2-CG 4.45Å; V166-T189 HydrophobicContact CG1-CG2 3.37Å
167	F	95.9	Very high	94.8	Very high	37 Å²	37	56.6 Å²	56.6	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	133.4	170.9	-175.5	-97.6	0	0	0	110.2	D169 K342 Q344 Y349 N352	F167-D169 VanDerWaalsContact CZ-CA 3.5Å; F167-K342 WeakPolarHBondContact CE1-O 3.29Å; F167-Q344 HydrophobicContact CD1-CB 4.08Å; F167-Q344 HydrophobicContact CD2-CB 4.4Å; F167-Q344 HydrophobicContact CD2-CG 4.46Å; F167-Q344 HydrophobicContact CE1-CB 4.36Å; F167-Q344 HydrophobicContact CG-CB 4.09Å; F167-Q344 HydrophobicContact CG-CG 4.42Å; F167-Y349 HydrophobicContact CD2-CD1 4.02Å; F167-Y349 HydrophobicContact CD2-CE1 4.27Å; F167-Y349 HydrophobicContact CE2-CD1 4.12Å; F167-Y349 AromaticContact CE2-CE1 3.98Å; F167-Y349 HydrophobicContact CE2-CE1 3.98Å; F167-N352 WeakPolarHBondContact CA-ND2 3.35Å; F167-N352 VanDerWaalsContact CB-ND2 3.32Å; F167-N352 WeakPolarHBondContact CB-ND2 3.48Å; F167-N352 WeakPolarHBondContact CD2-OD1 3.11Å; F167-N352 PolarHBondContact N-ND2 3.41Å
168	N	95.4	Very high	95.7	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.282	S	S	.	.	S	Bend	trans	-115	-56.3	165.8	-174.4	61.7	0	0	0	109.4	V166 T172 K174	V166-N168 PolarHBondContact O-N 3.06Å; N168-T172 PolarHBondContact ND2-OG1 2.93Å; N168-K174 HydrophobicContact CB-CB 3.97Å
169	D	93.9	Very high	96.1	Very high	51 Å²	51	56.8 Å²	56.8	27%	0.273	29%	0.285	S	S	.	.			trans	-155.4	-175.9	167.8	56.5	51.1	0	0	0	109.1	F167 F171 T172	F167-D169 VanDerWaalsContact CZ-CA 3.5Å; D169-F171 PolarHBondContact O-N 3.49Å; D169-F171 WeakPolarHBondContact OD1-CA 3.33Å; D169-F171 PolarHBondContact OD1-N 3.45Å; D169-T172 PolarHBondContact N-O 3.23Å; D169-T172 PolarHBondContact OD1-N 2.9Å; D169-T172 PolarHBondContact OD1-OG1 3.47Å; D169-T172 PolarHBondContact OD2-OG1 3.37Å
170	D	94.8	Very high	96.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-71.2	-4.3	-179.9	-102.9	17.1	0	0	0	115.5	T335 G340 F341 Y349 R351	D170-T335 HydrophobicContact CB-CG2 3.76Å; D170-T335 WeakPolarHBondContact OD2-CG2 3.15Å; D170-G340 WeakPolarHBondContact OD2-CA 3.32Å; D170-F341 VanDerWaalsContact CG-N 3.26Å; D170-F341 VanDerWaalsContact OD2-CD2 3.29Å; D170-F341 WeakPolarHBondContact OD2-CD2 3.3Å; D170-F341 PolarHBondContact OD2-N 3.35Å; D170-Y349 VanDerWaalsContact OD1-CE1 3.3Å; D170-Y349 WeakPolarHBondContact OD1-CE1 3.45Å; D170-Y349 PolarHBondContact OD1-OH 3.49Å; D170-R351 PolarHBondContact O-NE 3.29Å; D170-R351 PolarHBondContact O-NH2 2.7Å
171	F	94.8	Very high	96.2	Very high	88 Å²	88	55.2 Å²	55.2	39%	0.386	28%	0.279	S	S	.	.	S	Bend	trans	-120.4	-16.9	-176.7	-56.7	-73.3	0	0	0	113.2	D169 T335 K339	D169-F171 PolarHBondContact O-N 3.49Å; D169-F171 WeakPolarHBondContact OD1-CA 3.33Å; D169-F171 PolarHBondContact OD1-N 3.45Å; F171-T335 WeakPolarHBondContact CE1-O 3.4Å; F171-K339 WeakPolarHBondContact CE2-O 3.35Å
172	T	95.1	Very high	96	Very high	63 Å²	63	56 Å²	56	39%	0.387	28%	0.281	S	S	.	.			trans	-136.4	151.2	-176.2	64.8	0	0	0	0	110.7	N168 D169	N168-T172 PolarHBondContact ND2-OG1 2.93Å; D169-T172 PolarHBondContact N-O 3.23Å; D169-T172 PolarHBondContact OD1-N 2.9Å; D169-T172 PolarHBondContact OD1-OG1 3.47Å; D169-T172 PolarHBondContact OD2-OG1 3.37Å
173	V	95.2	Very high	95.8	Very high	27 Å²	27	59.9 Å²	59.9	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.5	176.3	-66.3	0	0	0	0	109.5	I165 N352 L355 K356	I165-V173 HydrophobicContact CG2-CB 4.28Å; V173-N352 HydrophobicContact CG1-CB 4.06Å; V173-N352 WeakPolarHBondContact CG1-O 3.35Å; V173-L355 HydrophobicContact CG1-CB 3.59Å; V173-L355 HydrophobicContact CG1-CD1 4.06Å; V173-L355 HydrophobicContact CG1-CG 4.5Å; V173-K356 HydrophobicContact CG2-CB 4.14Å; V173-K356 HydrophobicContact CG2-CD 3.99Å
174	K	96.1	Very high	95.6	Very high	116 Å²	116	63.1 Å²	63.1	50%	0.504	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.2	170.7	173.8	178.8	-178	-176.2	0	108.7	V166 N168	V166-K174 HydrophobicContact CG2-CB 3.81Å; V166-K174 HydrophobicContact CG2-CD 4.28Å; V166-K174 HydrophobicContact CG2-CG 3.93Å; V166-K174 VanDerWaalsContact CG2-O 3.32Å; V166-K174 WeakPolarHBondContact CG2-O 3.44Å; V166-K174 PolarHBondContact N-O 3.07Å; V166-K174 PolarHBondContact O-N 3Å; V166-K174 VanDerWaalsContact O-N 3.12Å; N168-K174 HydrophobicContact CB-CB 3.97Å
175	T	96.9	Very high	95.5	Very high	48 Å²	48	65.2 Å²	65.2	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	150.2	171.8	53.5	0	0	0	0	110.3	Q163 P164	Q163-T175 HydrophobicContact CG-CG2 4.03Å; Q163-T175 PolarHBondContact NE2-OG1 2.94Å; P164-T175 VanDerWaalsContact O-CA 3.32Å; P164-T175 WeakPolarHBondContact O-CA 3.49Å
176	L	97	Very high	95.4	Very high	54 Å²	54	69.5 Å²	69.5	28%	0.283	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-92.9	173.8	170.5	-53.9	-175.8	0	0	0	110.5	P164 V166 T189	P164-L176 HydrophobicContact CB-CB 3.99Å; P164-L176 HydrophobicContact CB-CD1 3.98Å; P164-L176 HydrophobicContact CB-CG 4.1Å; P164-L176 HydrophobicContact CG-CB 4.05Å; P164-L176 HydrophobicContact CG-CD1 4.41Å; P164-L176 PolarHBondContact O-N 3.19Å; V166-L176 HydrophobicContact CG1-CD1 4.09Å; V166-L176 HydrophobicContact CG1-CD2 4.3Å; V166-L176 HydrophobicContact CG1-CG 4.09Å; V166-L176 HydrophobicContact CG2-CD2 4.05Å; V166-L176 HydrophobicContact CG2-CG 4.45Å; L176-T189 HydrophobicContact CD1-CG2 4.21Å
177	D	96.9	Very high	95.4	Very high	149 Å²	149	68.4 Å²	68.4	80%	0.797	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.8	142.4	177.2	-67.5	-28.2	0	0	0	111.3
178	R	97	Very high	95.3	Very high	104 Å²	104	73 Å²	73	39%	0.392	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-69.8	141.6	177.1	-68.8	172	172.7	-111.6	-10	109.8	E161 L162 Q163	E161-R178 WeakPolarHBondContact OE2-CD 3.3Å; E161-R178 IonicContact OE2-CZ 3.98Å; E161-R178 IonicContact OE2-NH1 3.02Å; E161-R178 PolarHBondContact OE2-NH1 2.91Å; L162-R178 WeakPolarHBondContact O-CA 3.29Å; Q163-R178 HydrophobicContact CB-CG 4.13Å; Q163-R178 HydrophobicContact CG-CG 4.25Å
179	S	95.9	Very high	95.4	Very high	38 Å²	38	70 Å²	70	27%	0.266	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.9	174.2	61.2	0	0	0	0	110.8	E161 L162 A181	E161-S179 WeakPolarHBondContact CA-O 3.44Å; L162-S179 PolarHBondContact N-O 3.47Å; L162-S179 PolarHBondContact O-N 2.66Å; S179-A181 PolarHBondContact O-N 3.3Å
180	E	96.2	Very high	95.6	Very high	125 Å²	125	68.1 Å²	68.1	58%	0.584	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	126.4	170.6	-171	-173.4	177.1	0	0	110.3	K182	E180-K182 HydrophobicContact CG-CG 4.42Å; E180-K182 VanDerWaalsContact OE1-CE 3.3Å; E180-K182 WeakPolarHBondContact OE1-CE 3.43Å; E180-K182 IonicContact OE1-NZ 3.88Å; E180-K182 WeakPolarHBondContact OE2-CE 3.19Å; E180-K182 IonicContact OE2-NZ 2.79Å; E180-K182 PolarHBondContact OE2-NZ 3.33Å
181	A	94.7	Very high	95.7	Very high	13 Å²	13	68.4 Å²	68.4	11%	0.107	35%	0.351	C	S	.	.			trans	-84.4	117.5	179.7	0	0	0	0	0	110.2	L145 C160 L162 S179 I194	L145-A181 HydrophobicContact CD2-CB 3.86Å; C160-A181 HydrophobicContact CB-CB 3.7Å; C160-A181 PolarHBondContact O-N 3.18Å; L162-A181 HydrophobicContact CB-CB 3.93Å; S179-A181 PolarHBondContact O-N 3.3Å; A181-I194 HydrophobicContact CB-CD1 3.59Å; A181-I194 HydrophobicContact CB-CG1 4.26Å
182	K	92.2	Very high	95.9	Very high	113 Å²	113	64.2 Å²	64.2	49%	0.491	33%	0.333	S	S	.	.			trans	-119.3	141.8	-179.1	-65.7	-179.7	-177.2	172	0	110.7	E180 N184 M185	E180-K182 HydrophobicContact CG-CG 4.42Å; E180-K182 VanDerWaalsContact OE1-CE 3.3Å; E180-K182 WeakPolarHBondContact OE1-CE 3.43Å; E180-K182 IonicContact OE1-NZ 3.88Å; E180-K182 WeakPolarHBondContact OE2-CE 3.19Å; E180-K182 IonicContact OE2-NZ 2.79Å; E180-K182 PolarHBondContact OE2-NZ 3.33Å; K182-N184 PolarHBondContact O-N 2.78Å; K182-M185 HydrophobicContact CB-CB 4.41Å; K182-M185 PolarHBondContact N-SD 3.22Å; K182-M185 WeakPolarHBondContact O-CB 3.46Å; K182-M185 WeakPolarHBondContact O-CG 3.49Å; K182-M185 PolarHBondContact O-N 2.66Å
183	D	93.2	Very high	96	Very high	86 Å²	86	62.4 Å²	62.4	46%	0.46	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	140.9	173.7	-175.5	42.6	0	0	0	111.3	I146 L147 M185	I146-D183 WeakPolarHBondContact CA-OD1 3.47Å; L147-D183 HydrophobicContact CB-CB 3.76Å; L147-D183 PolarHBondContact N-OD1 3.05Å; D183-M185 PolarHBondContact O-N 3.5Å; D183-M185 VanDerWaalsContact O-N 3.1Å
184	N	94.4	Very high	96.1	Very high	95 Å²	95	61.1 Å²	61.1	51%	0.508	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.9	-179.6	-168.8	37.1	0	0	0	114.9	K144 L145 K182	K144-N184 WeakPolarHBondContact CD-OD1 3.27Å; K144-N184 PolarHBondContact NZ-OD1 3.01Å; L145-N184 WeakPolarHBondContact O-CA 3.4Å; L145-N184 PolarHBondContact O-N 3.12Å; K182-N184 PolarHBondContact O-N 2.78Å
185	M	95.5	Very high	96.1	Very high	46 Å²	46	58.4 Å²	58.4	23%	0.227	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-68	146.3	172.8	76.4	179.4	-73.6	0	0	111.2	K144 L145 K182 D183	K144-M185 WeakPolarHBondContact CA-O 3.39Å; L145-M185 HydrophobicContact CB-CG 3.8Å; L145-M185 HydrophobicContact CD2-CG 4.11Å; L145-M185 HydrophobicContact CD2-SD 4.05Å; L145-M185 PolarHBondContact N-O 2.79Å; K182-M185 HydrophobicContact CB-CB 4.41Å; K182-M185 PolarHBondContact N-SD 3.22Å; K182-M185 WeakPolarHBondContact O-CB 3.46Å; K182-M185 WeakPolarHBondContact O-CG 3.49Å; K182-M185 PolarHBondContact O-N 2.66Å; D183-M185 PolarHBondContact O-N 3.5Å; D183-M185 VanDerWaalsContact O-N 3.1Å
186	S	96.4	Very high	96	Very high	90 Å²	90	56.5 Å²	56.5	63%	0.629	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-76.8	136.4	171.5	-58.5	0	0	0	0	110.4
187	L	96.8	Very high	95.8	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.063	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-92.5	144.4	-179.4	-65.3	164.8	0	0	0	110.1	A140 G143 L145 L162 F192 T210 V212	A140-L187 HydrophobicContact CB-CD1 3.92Å; G143-L187 WeakPolarHBondContact O-CB 3.43Å; G143-L187 PolarHBondContact O-N 3.07Å; L145-L187 HydrophobicContact CB-CD2 4.31Å; L162-L187 HydrophobicContact CD1-CD2 3.47Å; L162-L187 VanDerWaalsContact CD1-CD2 3.47Å; L162-L187 HydrophobicContact CD2-CD2 4.35Å; L187-F192 HydrophobicContact CD1-CD1 3.97Å; L187-F192 HydrophobicContact CD1-CE1 3.38Å; L187-F192 HydrophobicContact CD1-CZ 4.1Å; L187-F192 HydrophobicContact CD2-CD1 3.9Å; L187-F192 HydrophobicContact CD2-CE1 3.91Å; L187-F192 HydrophobicContact CD2-CG 4.39Å; L187-F192 HydrophobicContact CD2-CZ 4.37Å; L187-F192 HydrophobicContact CG-CE1 4.29Å; L187-T210 HydrophobicContact CD1-CG2 3.55Å; L187-V212 HydrophobicContact CB-CG2 4.11Å
188	Q	93.7	Very high	95.3	Very high	133 Å²	133	49.8 Å²	49.8	62%	0.621	26%	0.262	S	S	*	.	S	Bend	trans	-82.2	-25	179.8	-63	179.2	53.9	0	0	112.3
189	T	96.4	Very high	94.6	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.117	27%	0.27	C	S	.	.	S	Bend	trans	-141.9	158.4	-170.2	60.3	0	0	0	0	109.7	P164 V166 L176 F191 V212	P164-T189 HydrophobicContact CB-CG2 4.07Å; P164-T189 WeakPolarHBondContact CB-OG1 3.35Å; V166-T189 HydrophobicContact CG1-CG2 3.37Å; L176-T189 HydrophobicContact CD1-CG2 4.21Å; T189-F191 PolarHBondContact O-N 3.46Å; T189-F191 PolarHBondContact OG1-O 2.93Å; T189-V212 VanDerWaalsContact C-CG2 3.46Å; T189-V212 WeakPolarHBondContact O-CG2 3.34Å
190	D	97.8	Very high	93.8	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.064	30%	0.299	C	S	.	.	S	Bend	trans	-61.3	-26.8	176.7	-75.7	8.6	0	0	0	113.1	A209 T210 V212 H348 Y381	D190-A209 CarbonylContact O-C 3.53Å; D190-A209 WeakPolarHBondContact O-CA 3Å; D190-T210 CarbonylContact C-O 3.57Å; D190-T210 WeakPolarHBondContact CA-O 3.32Å; D190-T210 WeakPolarHBondContact CB-O 3.49Å; D190-T210 VanDerWaalsContact CG-O 3.25Å; D190-T210 PolarHBondContact O-N 3.4Å; D190-T210 VanDerWaalsContact O-O 3.12Å; D190-V212 PolarHBondContact OD1-N 3.23Å; D190-H348 IonicContact OD1-CE1 2.75Å; D190-H348 IonicContact OD1-ND1 2.71Å; D190-H348 IonicContact OD2-CE1 3.98Å; D190-H348 IonicContact OD2-CG 3.76Å; D190-H348 IonicContact OD2-ND1 3.4Å; D190-H348 PolarHBondContact OD2-ND1 2.86Å; D190-Y381 HydrophobicContact CB-CE2 4.23Å; D190-Y381 PolarHBondContact OD2-OH 2.91Å
191	F	98.2	Very high	93.2	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.6	-169.2	-46.9	-51.8	0	0	0	111.4	I165 T189 H208 A209 Y349 L350 N352 F353 Y381	I165-F191 HydrophobicContact CB-CB 3.99Å; I165-F191 HydrophobicContact CD1-CB 4.27Å; I165-F191 PolarHBondContact N-O 3.21Å; T189-F191 PolarHBondContact O-N 3.46Å; T189-F191 PolarHBondContact OG1-O 2.93Å; F191-H208 WeakPolarHBondContact CA-O 3.46Å; F191-A209 HydrophobicContact CD1-CB 3.78Å; F191-A209 HydrophobicContact CE1-CB 3.98Å; F191-Y349 WeakPolarHBondContact CE2-O 3.44Å; F191-Y349 WeakPolarHBondContact CZ-O 3.41Å; F191-L350 HydrophobicContact CD1-CD1 4.33Å; F191-L350 HydrophobicContact CE1-CD1 3.46Å; F191-L350 VanDerWaalsContact CE1-CD1 3.46Å; F191-L350 HydrophobicContact CZ-CD1 3.89Å; F191-N352 HydrophobicContact CD2-CB 4.18Å; F191-N352 HydrophobicContact CE2-CB 4.32Å; F191-F353 HydrophobicContact CB-CB 4.45Å; F191-F353 HydrophobicContact CB-CD2 4.16Å; F191-F353 HydrophobicContact CD1-CB 3.71Å; F191-F353 AromaticContact CD1-CD2 3.91Å; F191-F353 HydrophobicContact CD1-CD2 3.91Å; F191-F353 HydrophobicContact CD1-CG 4.11Å; F191-F353 HydrophobicContact CD2-CB 4.25Å; F191-F353 HydrophobicContact CE1-CB 4.01Å; F191-F353 HydrophobicContact CG-CB 3.85Å; F191-F353 HydrophobicContact CG-CD2 4.22Å; F191-F353 HydrophobicContact CG-CG 4.5Å; F191-F353 HydrophobicContact CZ-CB 4.41Å; F191-Y381 HydrophobicContact CE1-CD2 4.26Å; F191-Y381 HydrophobicContact CE1-CE1 4.45Å; F191-Y381 AromaticContact CE1-CE2 3.56Å; F191-Y381 HydrophobicContact CE1-CE2 3.56Å; F191-Y381 AromaticContact CE1-CZ 3.67Å; F191-Y381 HydrophobicContact CZ-CE1 4.42Å; F191-Y381 HydrophobicContact CZ-CE2 4.05Å; F191-Y381 AromaticContact CZ-CZ 3.68Å; F191-Y381 VanDerWaalsContact CZ-OH 3.28Å; F191-Y381 WeakPolarHBondContact CZ-OH 3.42Å
192	F	98	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	152.4	174.3	59.1	-84.9	0	0	0	111.7	A140 L145 L162 Q163 L187 I194 H208	A140-F192 HydrophobicContact CB-CE1 3.68Å; A140-F192 HydrophobicContact CB-CZ 3.74Å; L145-F192 HydrophobicContact CD1-CE2 3.56Å; L145-F192 HydrophobicContact CD1-CZ 3.45Å; L145-F192 VanDerWaalsContact CD1-CZ 3.45Å; L162-F192 HydrophobicContact CD1-CB 4.23Å; L162-F192 HydrophobicContact CD1-CD1 4.39Å; L162-F192 HydrophobicContact CD1-CD2 3.37Å; L162-F192 HydrophobicContact CD1-CE2 3.69Å; L162-F192 HydrophobicContact CD1-CG 3.74Å; L162-F192 HydrophobicContact CD1-CZ 4.34Å; L162-F192 HydrophobicContact CD2-CB 3.86Å; L162-F192 HydrophobicContact CD2-CD2 4.48Å; L162-F192 HydrophobicContact CD2-CG 4.27Å; L162-F192 HydrophobicContact CG-CB 3.89Å; L162-F192 HydrophobicContact CG-CD2 3.66Å; L162-F192 HydrophobicContact CG-CE2 4.43Å; L162-F192 HydrophobicContact CG-CG 3.94Å; Q163-F192 VanDerWaalsContact O-CA 3.29Å; Q163-F192 WeakPolarHBondContact O-CA 3.17Å; Q163-F192 WeakPolarHBondContact O-CB 3.02Å; L187-F192 HydrophobicContact CD1-CD1 3.97Å; L187-F192 HydrophobicContact CD1-CE1 3.38Å; L187-F192 HydrophobicContact CD1-CZ 4.1Å; L187-F192 HydrophobicContact CD2-CD1 3.9Å; L187-F192 HydrophobicContact CD2-CE1 3.91Å; L187-F192 HydrophobicContact CD2-CG 4.39Å; L187-F192 HydrophobicContact CD2-CZ 4.37Å; L187-F192 HydrophobicContact CG-CE1 4.29Å; F192-I194 HydrophobicContact CD2-CB 4.38Å; F192-I194 HydrophobicContact CE2-CB 4.41Å; F192-H208 HydrophobicContact CD1-CB 4.33Å; F192-H208 HydrophobicContact CD2-CB 4.23Å; F192-H208 HydrophobicContact CE1-CB 3.66Å; F192-H208 HydrophobicContact CE2-CB 3.59Å; F192-H208 AromaticContact CE2-CD2 3.77Å; F192-H208 AromaticContact CE2-CG 3.92Å; F192-H208 HydrophobicContact CZ-CB 3.27Å; F192-H208 AromaticContact CZ-CG 3.89Å; F192-H208 PolarHBondContact N-O 3.14Å; F192-H208 PolarHBondContact O-N 2.7Å
193	K	97.8	Very high	92.8	Very high	24 Å²	24	51.5 Å²	51.5	10%	0.104	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.2	164.7	-178.8	-178.4	-171	163.7	0	108.3	L162 Q163 Q195 Y207 D360	L162-K193 WeakPolarHBondContact CA-O 3.46Å; Q163-K193 HydrophobicContact CB-CB 4.46Å; Q163-K193 PolarHBondContact N-O 3.02Å; Q163-K193 PolarHBondContact O-N 3.19Å; K193-Q195 HydrophobicContact CD-CG 4.41Å; K193-Q195 HydrophobicContact CG-CG 4.31Å; K193-Y207 HydrophobicContact CB-CD1 3.95Å; K193-Y207 HydrophobicContact CB-CE1 3.99Å; K193-Y207 HydrophobicContact CD-CE1 3.72Å; K193-Y207 WeakPolarHBondContact CE-OH 3.5Å; K193-Y207 HydrophobicContact CG-CD1 4.04Å; K193-Y207 HydrophobicContact CG-CE1 3.7Å; K193-Y207 PolarHBondContact NZ-OH 3.15Å; K193-D360 IonicContact NZ-OD2 3.22Å; K193-D360 PolarHBondContact NZ-OD2 3.42Å
194	I	97.1	Very high	92.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.9	171.6	-166.6	159.1	0	0	0	109.8	F138 L145 C160 E161 A181 F192 Y204 T205 N206	F138-I194 HydrophobicContact CB-CD1 4.31Å; F138-I194 HydrophobicContact CD1-CD1 4.03Å; F138-I194 HydrophobicContact CD2-CD1 3.41Å; F138-I194 VanDerWaalsContact CD2-CD1 3.41Å; F138-I194 HydrophobicContact CD2-CG1 4.35Å; F138-I194 HydrophobicContact CE1-CD1 4.11Å; F138-I194 HydrophobicContact CE2-CD1 3.54Å; F138-I194 HydrophobicContact CE2-CG1 4.47Å; F138-I194 HydrophobicContact CG-CD1 3.64Å; F138-I194 HydrophobicContact CZ-CD1 3.85Å; L145-I194 HydrophobicContact CD1-CD1 4.4Å; L145-I194 HydrophobicContact CD2-CD1 4.26Å; C160-I194 HydrophobicContact CB-CD1 4.47Å; C160-I194 HydrophobicContact CB-CG1 4.47Å; E161-I194 WeakPolarHBondContact O-CA 3.5Å; A181-I194 HydrophobicContact CB-CD1 3.59Å; A181-I194 HydrophobicContact CB-CG1 4.26Å; F192-I194 HydrophobicContact CD2-CB 4.38Å; F192-I194 HydrophobicContact CE2-CB 4.41Å; I194-Y204 HydrophobicContact CG2-CD1 4.17Å; I194-Y204 HydrophobicContact CG2-CE1 3.48Å; I194-Y204 VanDerWaalsContact CG2-CE1 3.48Å; I194-T205 WeakPolarHBondContact O-CA 3.34Å; I194-N206 PolarHBondContact N-O 2.96Å; I194-N206 PolarHBondContact O-N 3.23Å; I194-N206 VanDerWaalsContact O-N 3.14Å
195	Q	96.7	Very high	92.8	Very high	60 Å²	60	47 Å²	47	28%	0.28	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.1	176.6	-58.8	-173	-88.7	0	0	108.7	C160 E161 K193 Y204 T205	C160-Q195 CarbonylContact C-O 3.58Å; C160-Q195 VanDerWaalsContact CA-O 3.32Å; C160-Q195 WeakPolarHBondContact CA-O 3.33Å; E161-Q195 PolarHBondContact N-O 2.93Å; E161-Q195 PolarHBondContact O-N 3.49Å; K193-Q195 HydrophobicContact CD-CG 4.41Å; K193-Q195 HydrophobicContact CG-CG 4.31Å; Q195-Y204 CarbonylContact C-O 3.55Å; Q195-Y204 WeakPolarHBondContact CA-O 3.21Å; Q195-T205 HydrophobicContact CG-CG2 4.07Å
196	C	94.5	Very high	92.9	Very high	7 Å²	7	45 Å²	45	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.4	-179.8	-57.5	0	0	0	0	111.8	W137 Q159 C160 T203 Y204	W137-C196 HydrophobicContact CE3-CB 3.73Å; W137-C196 HydrophobicContact CZ3-CB 3.56Å; Q159-C196 CarbonylContact O-C 3.52Å; Q159-C196 WeakPolarHBondContact O-CA 3Å; C160-C196 HydrophobicContact CB-CB 4.09Å; C160-C196 WeakPolarHBondContact CB-SG 3.36Å; C160-C196 WeakPolarHBondContact SG-CB 3.39Å; C160-C196 CovalentContact SG-SG 2.04Å; C160-C196 PolarHBondContact SG-SG 2.64Å; C196-T203 VanDerWaalsContact O-CA 3.27Å; C196-T203 WeakPolarHBondContact O-CA 3.2Å; C196-Y204 HydrophobicContact CB-CD1 4.39Å; C196-Y204 PolarHBondContact N-O 2.63Å; C196-Y204 PolarHBondContact O-N 3.04Å
197	A	91.9	Very high	92.9	Very high	51 Å²	51	41.6 Å²	41.6	42%	0.421	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.2	165.5	0	0	0	0	0	109.3	I158 Q159	I158-A197 WeakPolarHBondContact CA-O 3.21Å; Q159-A197 PolarHBondContact N-O 3.08Å; Q159-A197 PolarHBondContact O-N 2.86Å
198	A	88.1	Confident	93	Very high	11 Å²	11	41.4 Å²	41.4	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	160.8	174.1	0	0	0	0	0	110.7	W137 A156 I158 G200 G201 K202	W137-A198 HydrophobicContact CH2-CB 3.74Å; W137-A198 HydrophobicContact CZ3-CB 4.2Å; A156-A198 HydrophobicContact CB-CB 4.25Å; I158-A198 HydrophobicContact CG2-CB 3.85Å; A198-G200 PolarHBondContact O-N 3.49Å; A198-G201 PolarHBondContact O-N 2.87Å; A198-K202 HydrophobicContact CB-CB 4.3Å; A198-K202 PolarHBondContact N-O 2.91Å
199	A	81.4	Confident	93.2	Very high	69 Å²	69	35.9 Å²	35.9	57%	0.57	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	139.3	169.7	0	0	0	0	0	111.3	A156	A156-A199 HydrophobicContact CB-CB 4.37Å
200	G	79.3	Confident	93.2	Very high	85 Å²	85	35 Å²	35	88%	0.876	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	8.6	-176.5	0	0	0	0	0	115.3	A198 K202	A198-G200 PolarHBondContact O-N 3.49Å; G200-K202 VanDerWaalsContact C-N 3.34Å; G200-K202 PolarHBondContact O-N 3.27Å
201	G	84.2	Confident	93.2	Very high	67 Å²	67	34.4 Å²	34.4	69%	0.691	24%	0.236	S	C	*	.	S	Bend	trans	83	6	172.1	0	0	0	0	0	114.9	A198	A198-G201 PolarHBondContact O-N 2.87Å
202	K	87.4	Confident	93.2	Very high	104 Å²	104	35.5 Å²	35.5	45%	0.452	24%	0.243	S	C	.	.			trans	-66.8	134.7	171	-73.1	-166	174.5	-156.6	0	109.9	E134 P153 A198 G200	E134-K202 IonicContact OE1-NZ 3.64Å; P153-K202 HydrophobicContact CG-CD 4.07Å; A198-K202 HydrophobicContact CB-CB 4.3Å; A198-K202 PolarHBondContact N-O 2.91Å; G200-K202 VanDerWaalsContact C-N 3.34Å; G200-K202 PolarHBondContact O-N 3.27Å
203	T	91	Very high	92.8	Very high	104 Å²	104	39 Å²	39	64%	0.638	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	150.3	176.8	60.8	0	0	0	0	109.9	C196	C196-T203 VanDerWaalsContact O-CA 3.27Å; C196-T203 WeakPolarHBondContact O-CA 3.2Å
204	Y	92.5	Very high	92.5	Very high	19 Å²	19	42 Å²	42	8%	0.075	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.4	174.4	168.1	-104.6	0	0	0	108.1	W137 F138 I194 Q195 C196 N206 H208	W137-Y204 HydrophobicContact CB-CD1 3.9Å; W137-Y204 HydrophobicContact CB-CD2 4.34Å; W137-Y204 HydrophobicContact CB-CE1 3.88Å; W137-Y204 HydrophobicContact CB-CE2 4.35Å; W137-Y204 HydrophobicContact CB-CG 4.12Å; W137-Y204 HydrophobicContact CD2-CD1 4.17Å; W137-Y204 HydrophobicContact CD2-CD2 4.26Å; W137-Y204 AromaticContact CD2-CG 3.75Å; W137-Y204 HydrophobicContact CD2-CG 3.75Å; W137-Y204 HydrophobicContact CE3-CD1 4.19Å; W137-Y204 HydrophobicContact CE3-CG 4.03Å; W137-Y204 HydrophobicContact CG-CD1 4.08Å; W137-Y204 AromaticContact CG-CD2 3.97Å; W137-Y204 HydrophobicContact CG-CD2 3.97Å; W137-Y204 HydrophobicContact CG-CE1 4.45Å; W137-Y204 HydrophobicContact CG-CE2 4.38Å; W137-Y204 AromaticContact CG-CG 3.81Å; W137-Y204 HydrophobicContact CG-CG 3.81Å; F138-Y204 HydrophobicContact CD2-CE1 4.12Å; I194-Y204 HydrophobicContact CG2-CD1 4.17Å; I194-Y204 HydrophobicContact CG2-CE1 3.48Å; I194-Y204 VanDerWaalsContact CG2-CE1 3.48Å; Q195-Y204 CarbonylContact C-O 3.55Å; Q195-Y204 WeakPolarHBondContact CA-O 3.21Å; C196-Y204 HydrophobicContact CB-CD1 4.39Å; C196-Y204 PolarHBondContact N-O 2.63Å; C196-Y204 PolarHBondContact O-N 3.04Å; Y204-N206 HydrophobicContact CE1-CB 4.24Å; Y204-N206 HydrophobicContact CE2-CB 3.84Å; Y204-N206 WeakPolarHBondContact OH-CB 3.29Å; Y204-H208 PolarHBondContact OH-CE1 2.99Å; Y204-H208 PolarHBondContact OH-NE2 3.08Å
205	T	95.2	Very high	91.5	Very high	68 Å²	68	51.7 Å²	51.7	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124.5	171.4	-68.1	0	0	0	0	107.9	I194 Q195	I194-T205 WeakPolarHBondContact O-CA 3.34Å; Q195-T205 HydrophobicContact CG-CG2 4.07Å
206	N	96.6	Very high	90	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.027	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	170.3	174.7	-155.2	1.1	0	0	0	111.2	N136 I194 Y204 L369	N136-N206 VanDerWaalsContact CG-ND2 3.32Å; N136-N206 PolarHBondContact ND2-ND2 3.01Å; N136-N206 PolarHBondContact OD1-ND2 2.87Å; I194-N206 PolarHBondContact N-O 2.96Å; I194-N206 PolarHBondContact O-N 3.23Å; I194-N206 VanDerWaalsContact O-N 3.14Å; Y204-N206 HydrophobicContact CE1-CB 4.24Å; Y204-N206 HydrophobicContact CE2-CB 3.84Å; Y204-N206 WeakPolarHBondContact OH-CB 3.29Å; N206-L369 VanDerWaalsContact ND2-C 3.33Å; N206-L369 PolarHBondContact ND2-O 2.75Å
207	Y	97.3	Very high	88.4	Confident	17 Å²	17	57.5 Å²	57.5	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.8	-179.8	-51.1	-94.3	0	0	0	108.3	K193 K356 V357 D360 T361 L369	K193-Y207 HydrophobicContact CB-CD1 3.95Å; K193-Y207 HydrophobicContact CB-CE1 3.99Å; K193-Y207 HydrophobicContact CD-CE1 3.72Å; K193-Y207 WeakPolarHBondContact CE-OH 3.5Å; K193-Y207 HydrophobicContact CG-CD1 4.04Å; K193-Y207 HydrophobicContact CG-CE1 3.7Å; K193-Y207 PolarHBondContact NZ-OH 3.15Å; Y207-K356 HydrophobicContact CD1-CG 4.41Å; Y207-K356 HydrophobicContact CE1-CG 4.2Å; Y207-V357 HydrophobicContact CD1-CG2 4.07Å; Y207-V357 HydrophobicContact CD2-CG2 3.84Å; Y207-V357 HydrophobicContact CG-CG2 3.62Å; Y207-D360 HydrophobicContact CE1-CB 4.32Å; Y207-D360 WeakPolarHBondContact CE1-OD2 3.23Å; Y207-D360 WeakPolarHBondContact OH-CB 3.17Å; Y207-D360 PolarHBondContact OH-OD2 3.44Å; Y207-T361 HydrophobicContact CE2-CG2 4.43Å; Y207-L369 HydrophobicContact CD2-CD2 4.21Å
208	H	97.4	Very high	86.9	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.037	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148	-176.7	-66.6	-81.3	0	0	0	111.2	F138 F191 F192 Y204 F353	F138-H208 PolarHBondContact O-CE1 2.81Å; F191-H208 WeakPolarHBondContact CA-O 3.46Å; F192-H208 HydrophobicContact CD1-CB 4.33Å; F192-H208 HydrophobicContact CD2-CB 4.23Å; F192-H208 HydrophobicContact CE1-CB 3.66Å; F192-H208 HydrophobicContact CE2-CB 3.59Å; F192-H208 AromaticContact CE2-CD2 3.77Å; F192-H208 AromaticContact CE2-CG 3.92Å; F192-H208 HydrophobicContact CZ-CB 3.27Å; F192-H208 AromaticContact CZ-CG 3.89Å; F192-H208 PolarHBondContact N-O 3.14Å; F192-H208 PolarHBondContact O-N 2.7Å; Y204-H208 PolarHBondContact OH-CE1 2.99Å; Y204-H208 PolarHBondContact OH-NE2 3.08Å; H208-F353 WeakPolarHBondContact O-CE2 3.38Å
209	A	97.6	Very high	85.4	Confident	17 Å²	17	67.7 Å²	67.7	14%	0.14	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.7	176.4	0	0	0	0	0	110.2	D190 F191 L350 F353 Y381	D190-A209 CarbonylContact O-C 3.53Å; D190-A209 WeakPolarHBondContact O-CA 3Å; F191-A209 HydrophobicContact CD1-CB 3.78Å; F191-A209 HydrophobicContact CE1-CB 3.98Å; A209-L350 HydrophobicContact CB-CD1 4.36Å; A209-F353 HydrophobicContact CB-CD2 4.22Å; A209-F353 HydrophobicContact CB-CE2 4.19Å; A209-Y381 HydrophobicContact CB-CD2 3.96Å
210	T	97.7	Very high	84.5	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.407	C	S	.	.			trans	-151.5	175.5	175.6	-173.2	0	0	0	0	108.8	A140 R141 N142 G143 L187 D190 Y381 D384	A140-T210 HydrophobicContact CB-CG2 3.91Å; R141-T210 WeakPolarHBondContact CA-OG1 2.97Å; R141-T210 PolarHBondContact N-OG1 3.23Å; N142-T210 PolarHBondContact N-OG1 2.68Å; G143-T210 PolarHBondContact N-OG1 3.23Å; G143-T210 VanDerWaalsContact N-OG1 3.08Å; L187-T210 HydrophobicContact CD1-CG2 3.55Å; D190-T210 CarbonylContact C-O 3.57Å; D190-T210 WeakPolarHBondContact CA-O 3.32Å; D190-T210 WeakPolarHBondContact CB-O 3.49Å; D190-T210 VanDerWaalsContact CG-O 3.25Å; D190-T210 PolarHBondContact O-N 3.4Å; D190-T210 VanDerWaalsContact O-O 3.12Å; T210-Y381 VanDerWaalsContact O-CE2 3.29Å; T210-Y381 WeakPolarHBondContact O-CE2 3.45Å; T210-D384 VanDerWaalsContact CA-OD2 3.23Å; T210-D384 WeakPolarHBondContact CA-OD2 3.3Å; T210-D384 WeakPolarHBondContact CB-OD2 3.31Å; T210-D384 PolarHBondContact OG1-OD2 3.11Å
211	I	98	Very high	84.6	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.382	C	S	.	.			trans	-107.7	114.6	176.3	-65.6	-73.7	0	0	0	109.2	N142 G143 L323 H348 Y381 D384 F385 T388 Y389	N142-I211 CarbonylContact C-O 3.55Å; G143-I211 WeakPolarHBondContact CA-O 3.14Å; G143-I211 PolarHBondContact N-O 2.85Å; I211-L323 HydrophobicContact CD1-CD1 4.1Å; I211-H348 HydrophobicContact CD1-CB 4.04Å; I211-H348 WeakPolarHBondContact CD1-ND1 3.49Å; I211-Y381 HydrophobicContact CD1-CD2 3.94Å; I211-Y381 HydrophobicContact CD1-CE1 4.3Å; I211-Y381 HydrophobicContact CD1-CE2 3.33Å; I211-Y381 HydrophobicContact CG1-CD2 4.22Å; I211-Y381 HydrophobicContact CG1-CE2 4Å; I211-D384 HydrophobicContact CG1-CB 4.15Å; I211-D384 PolarHBondContact N-OD2 3.24Å; I211-F385 HydrophobicContact CD1-CB 3.92Å; I211-F385 HydrophobicContact CD1-CD2 4.13Å; I211-F385 HydrophobicContact CD1-CG 4.43Å; I211-F385 HydrophobicContact CG1-CB 3.8Å; I211-F385 HydrophobicContact CG2-CD2 4.24Å; I211-T388 HydrophobicContact CB-CG2 4.45Å; I211-T388 HydrophobicContact CG2-CG2 3.89Å; I211-Y389 HydrophobicContact CG2-CD2 4.28Å; I211-Y389 HydrophobicContact CG2-CE2 3.82Å
212	V	96.9	Very high	84.6	Confident	29 Å²	29	72.4 Å²	72.4	18%	0.176	37%	0.368	C	S	.	.			trans	-89.8	111.7	166.6	179.4	0	0	0	0	107.3	L187 T189 D190 K214 H348	L187-V212 HydrophobicContact CB-CG2 4.11Å; T189-V212 VanDerWaalsContact C-CG2 3.46Å; T189-V212 WeakPolarHBondContact O-CG2 3.34Å; D190-V212 PolarHBondContact OD1-N 3.23Å; V212-K214 PolarHBondContact O-N 3.39Å; V212-H348 PolarHBondContact O-CE1 2.76Å
213	P	91.1	Very high	84.5	Confident	74 Å²	74	72.7 Å²	72.7	48%	0.481	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-60.5	132.2	-174.4	22.8	-29.7	0	0	0	110.6	T388	P213-T388 HydrophobicContact CB-CG2 3.91Å; P213-T388 HydrophobicContact CG-CG2 3.9Å
214	K	90.2	Very high	84.4	Confident	87 Å²	87	68.6 Å²	68.6	38%	0.378	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-99	146.8	175.3	-60.6	-172.3	177.3	-175.5	0	109.3	V212 S216 D347 Y389	V212-K214 PolarHBondContact O-N 3.39Å; K214-S216 PolarHBondContact O-N 2.98Å; K214-D347 HydrophobicContact CD-CB 4.2Å; K214-D347 WeakPolarHBondContact CE-O 3.44Å; K214-D347 PolarHBondContact NZ-O 3.2Å; K214-Y389 PolarHBondContact N-OH 2.71Å
215	E	77.1	Confident	84.3	Confident	203 Å²	203	72 Å²	72	95%	0.949	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-57.5	123.2	175.2	-72.5	-173.3	169	0	0	110.1
216	S	65	Low	84.1	Confident	50 Å²	50	70.5 Å²	70.5	35%	0.35	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-92.6	141.6	178.9	58.8	0	0	0	0	110.9	K214 N218 Q393	K214-S216 PolarHBondContact O-N 2.98Å; S216-N218 PolarHBondContact O-N 2.87Å; S216-N218 PolarHBondContact OG-ND2 2.81Å; S216-N218 PolarHBondContact OG-OD1 2.59Å; S216-Q393 VanDerWaalsContact CB-CD 3.5Å; S216-Q393 VanDerWaalsContact CB-NE2 3.31Å; S216-Q393 VanDerWaalsContact CB-OE1 3.26Å; S216-Q393 PolarHBondContact OG-OE1 2.87Å
217	M	61.1	Low	83.9	Confident	139 Å²	139	71.2 Å²	71.2	69%	0.685	38%	0.376	S	S	*	.			trans	-76	44.4	177.2	-70.1	-162.9	145.3	0	0	113	E219 R220	M217-E219 VanDerWaalsContact C-N 3.25Å; M217-E219 PolarHBondContact O-N 3.08Å; M217-R220 PolarHBondContact O-N 2.87Å
218	N	59.5	Low	83.5	Confident	80 Å²	80	80.7 Å²	80.7	43%	0.428	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-59.3	-33.9	-174.5	-80.9	-11.8	0	0	0	113.4	S216 R220 A221 Q393	S216-N218 PolarHBondContact O-N 2.87Å; S216-N218 PolarHBondContact OG-ND2 2.81Å; S216-N218 PolarHBondContact OG-OD1 2.59Å; N218-R220 PolarHBondContact O-N 2.81Å; N218-R220 VanDerWaalsContact O-N 3.09Å; N218-A221 PolarHBondContact O-N 2.81Å; N218-Q393 PolarHBondContact ND2-OE1 3.49Å; N218-Q393 PolarHBondContact OD1-NE2 3.5Å; N218-Q393 PolarHBondContact OD1-OE1 2.8Å; N218-Q393 VanDerWaalsContact OD1-OE1 3.12Å
219	E	57.5	Low	83	Confident	196 Å²	196	83.8 Å²	83.8	92%	0.916	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-65.4	-14.4	-177.7	-64.1	-173.3	168.1	0	0	114	M217	M217-E219 VanDerWaalsContact C-N 3.25Å; M217-E219 PolarHBondContact O-N 3.08Å
220	R	62.7	Low	82.8	Confident	203 Å²	203	84 Å²	84	77%	0.766	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-123	15	-178.7	-61.7	-176.7	-174.9	169.8	2.5	113.6	M217 N218 N222	M217-R220 PolarHBondContact O-N 2.87Å; N218-R220 PolarHBondContact O-N 2.81Å; N218-R220 VanDerWaalsContact O-N 3.09Å; R220-N222 PolarHBondContact O-N 3.14Å
221	A	80.8	Confident	82.8	Confident	42 Å²	42	84.2 Å²	84.2	35%	0.347	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-66.7	130	-176.5	0	0	0	0	0	111.5	N218	N218-A221 PolarHBondContact O-N 2.81Å
222	N	83.6	Confident	82.8	Confident	76 Å²	76	84.4 Å²	84.4	41%	0.406	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63.6	140.9	172.8	-71.8	-24.6	0	0	0	110.4	R220 Q317 F318	R220-N222 PolarHBondContact O-N 3.14Å; N222-Q317 PolarHBondContact N-O 3.15Å; N222-F318 HydrophobicContact CB-CD1 3.73Å; N222-F318 HydrophobicContact CB-CE1 3.67Å; N222-F318 HydrophobicContact CB-CG 4.3Å; N222-F318 HydrophobicContact CB-CZ 4.19Å; N222-F318 VanDerWaalsContact O-CD1 3.3Å; N222-F318 WeakPolarHBondContact O-CD1 3.5Å
223	P	85	Confident	82.9	Confident	110 Å²	110	83 Å²	83	71%	0.714	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-70.6	147.1	176	29.8	-34.4	0	0	0	111.1	F318	P223-F318 WeakPolarHBondContact O-CE1 3.31Å
224	V	89.7	Confident	83.2	Confident	17 Å²	17	79.5 Å²	79.5	10%	0.103	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-99	145.2	168.2	-65.9	0	0	0	0	110.5	F227 P230 F318 L505	V224-F227 HydrophobicContact CG2-CB 4.24Å; V224-P230 HydrophobicContact CB-CG 4.49Å; V224-P230 HydrophobicContact CG1-CB 4.07Å; V224-P230 HydrophobicContact CG1-CG 3.81Å; V224-P230 HydrophobicContact CG2-CB 4.21Å; V224-P230 HydrophobicContact CG2-CG 3.82Å; V224-F318 HydrophobicContact CG1-CD1 3.6Å; V224-F318 HydrophobicContact CG1-CE1 4.07Å; V224-F318 HydrophobicContact CG1-CG 4.43Å; V224-L505 HydrophobicContact CG1-CD2 4.11Å
225	N	90.6	Very high	83.6	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-92.4	141.6	176.7	-65.2	-32.1	0	0	0	111.3	F227 L505 N506 F507	N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 3.46Å; N225-L505 PolarHBondContact N-O 3.35Å; N225-L505 VanDerWaalsContact N-O 3.16Å; N225-N506 WeakPolarHBondContact CB-OD1 3.4Å; N225-N506 PolarHBondContact ND2-OD1 3.43Å; N225-F507 PolarHBondContact O-N 2.02Å; N225-F507 VanDerWaalsContact O-N 3.08Å
226	G	91.4	Very high	84.7	Confident	37 Å²	37	65.8 Å²	65.8	38%	0.381	34%	0.337	S	S	.	.	S	Bend	trans	91.5	-17.9	175.9	0	0	0	0	0	114.9	K476 F507	G226-K476 PolarHBondContact O-NZ 3.03Å; G226-F507 WeakPolarHBondContact CA-O 3.28Å
227	F	91.7	Very high	86.3	Confident	20 Å²	20	63.4 Å²	63.4	9%	0.088	32%	0.32	C	S	.	.	S	Bend	trans	-120.2	151.4	178.7	-52.2	-79	0	0	0	111.6	V224 N225 R229 L231 W472 F473 F477 L504 F507	V224-F227 HydrophobicContact CG2-CB 4.24Å; N225-F227 VanDerWaalsContact C-N 3.34Å; N225-F227 PolarHBondContact O-N 3.46Å; F227-R229 WeakPolarHBondContact CB-O 3.4Å; F227-R229 PolarHBondContact O-N 3.18Å; F227-L231 HydrophobicContact CD1-CD1 4.3Å; F227-L231 HydrophobicContact CD1-CG 4.33Å; F227-L231 HydrophobicContact CE1-CD1 3.83Å; F227-L231 HydrophobicContact CE1-CG 4.34Å; F227-L231 HydrophobicContact CZ-CD1 4.15Å; F227-W472 HydrophobicContact CD1-CH2 4.16Å; F227-W472 HydrophobicContact CE1-CH2 4.23Å; F227-F473 AromaticContact CE1-CE2 3.71Å; F227-F473 HydrophobicContact CE1-CE2 3.71Å; F227-F473 HydrophobicContact CE1-CZ 4.3Å; F227-F473 HydrophobicContact CZ-CE2 4.01Å; F227-F473 HydrophobicContact CZ-CZ 4.26Å; F227-F477 HydrophobicContact CD1-CE2 4.06Å; F227-F477 HydrophobicContact CD1-CZ 4.45Å; F227-F477 HydrophobicContact CE1-CD2 4.36Å; F227-F477 AromaticContact CE1-CE2 3.48Å; F227-F477 HydrophobicContact CE1-CE2 3.48Å; F227-F477 VanDerWaalsContact CE1-CE2 3.48Å; F227-F477 HydrophobicContact CE1-CZ 4.09Å; F227-F477 HydrophobicContact CZ-CE2 4.2Å; F227-L504 VanDerWaalsContact CE2-O 3.31Å; F227-L504 WeakPolarHBondContact CE2-O 3.45Å; F227-L504 HydrophobicContact CZ-CD2 4.28Å; F227-F507 HydrophobicContact CD2-CB 4.17Å; F227-F507 HydrophobicContact CE1-CD1 4.48Å; F227-F507 HydrophobicContact CE2-CB 3.33Å; F227-F507 HydrophobicContact CE2-CD1 4.38Å; F227-F507 HydrophobicContact CE2-CD2 4.13Å; F227-F507 AromaticContact CE2-CG 3.7Å; F227-F507 HydrophobicContact CE2-CG 3.7Å; F227-F507 HydrophobicContact CZ-CB 3.68Å; F227-F507 AromaticContact CZ-CD1 3.84Å; F227-F507 HydrophobicContact CZ-CD1 3.84Å; F227-F507 AromaticContact CZ-CD2 3.85Å; F227-F507 HydrophobicContact CZ-CD2 3.85Å; F227-F507 HydrophobicContact CZ-CE2 4.48Å; F227-F507 AromaticContact CZ-CG 3.49Å; F227-F507 HydrophobicContact CZ-CG 3.49Å; F227-F507 VanDerWaalsContact CZ-CG 3.49Å
228	K	87.9	Confident	88	Confident	216 Å²	216	57 Å²	57	94%	0.939	29%	0.289	S	S	*	.	S	Bend	trans	-67.8	-29.9	173.2	-70.3	-175.2	176.9	-177.8	0	111.7
229	R	88.2	Confident	89.6	Confident	73 Å²	73	53.4 Å²	53.4	28%	0.275	27%	0.269	S	S	.	.	S	Bend	trans	-151.2	157	175.8	65.8	-174.1	-177.1	109.6	-19.2	108.7	F227 R391 D434	F227-R229 WeakPolarHBondContact CB-O 3.4Å; F227-R229 PolarHBondContact O-N 3.18Å; R229-R391 PolarHBondContact NH1-O 2.72Å; R229-D434 IonicContact CZ-OD1 2.7Å; R229-D434 IonicContact CZ-OD2 2.64Å; R229-D434 IonicContact NH2-OD1 3.52Å; R229-D434 PolarHBondContact NH2-OD1 2.63Å; R229-D434 IonicContact NH2-OD2 3.14Å; R229-D434 PolarHBondContact NH2-OD2 3.16Å
230	P	93.3	Very high	91.3	Very high	20 Å²	20	44.3 Å²	44.3	13%	0.13	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-60.9	145	175.5	-15.3	28.2	0	0	0	111.4	V224 Y320 P394	V224-P230 HydrophobicContact CB-CG 4.49Å; V224-P230 HydrophobicContact CG1-CB 4.07Å; V224-P230 HydrophobicContact CG1-CG 3.81Å; V224-P230 HydrophobicContact CG2-CB 4.21Å; V224-P230 HydrophobicContact CG2-CG 3.82Å; P230-Y320 HydrophobicContact CB-CE2 3.57Å; P230-Y320 WeakPolarHBondContact CB-OH 3.35Å; P230-Y320 HydrophobicContact CG-CE2 4.26Å; P230-P394 HydrophobicContact CB-CB 3.88Å; P230-P394 HydrophobicContact CB-CG 4.22Å; P230-P394 HydrophobicContact CG-CB 4.31Å; P230-P394 HydrophobicContact CG-CG 4.13Å
231	L	96.8	Very high	92.9	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-80.2	146	173.5	-63.4	177.9	0	0	0	110.2	F227 Y320 D434 V436 W472 F473 L504	F227-L231 HydrophobicContact CD1-CD1 4.3Å; F227-L231 HydrophobicContact CD1-CG 4.33Å; F227-L231 HydrophobicContact CE1-CD1 3.83Å; F227-L231 HydrophobicContact CE1-CG 4.34Å; F227-L231 HydrophobicContact CZ-CD1 4.15Å; L231-Y320 VanDerWaalsContact O-CE1 3.23Å; L231-Y320 WeakPolarHBondContact O-CE1 3.3Å; L231-Y320 VanDerWaalsContact O-CZ 3.29Å; L231-Y320 PolarHBondContact O-OH 2.95Å; L231-D434 CarbonylContact C-O 3.47Å; L231-V436 HydrophobicContact CD1-CG2 3.98Å; L231-W472 HydrophobicContact CD1-CH2 4.33Å; L231-W472 HydrophobicContact CD2-CH2 3.93Å; L231-W472 HydrophobicContact CD2-CZ2 3.62Å; L231-F473 HydrophobicContact CD1-CD2 4.08Å; L231-F473 HydrophobicContact CD1-CE2 3.66Å; L231-L504 HydrophobicContact CD1-CD2 4.43Å
232	N	98.2	Very high	93.6	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	151.3	165.7	-53.7	-43.9	0	0	0	109.7	F386 P394 K395 D434 T435 V436	N232-F386 HydrophobicContact CB-CE1 3.84Å; N232-F386 HydrophobicContact CB-CZ 4.23Å; N232-P394 WeakPolarHBondContact OD1-CA 3.32Å; N232-K395 CarbonylContact C-O 3.51Å; N232-K395 WeakPolarHBondContact CA-O 3.29Å; N232-K395 HydrophobicContact CB-CB 4.31Å; N232-K395 PolarHBondContact OD1-N 2.97Å; N232-D434 PolarHBondContact N-O 2.67Å; N232-T435 HydrophobicContact CB-CG2 3.94Å; N232-T435 WeakPolarHBondContact CB-OG1 3.27Å; N232-T435 PolarHBondContact ND2-OG1 2.91Å; N232-T435 CarbonylContact O-C 3.55Å; N232-T435 WeakPolarHBondContact O-CA 3.47Å; N232-V436 PolarHBondContact O-N 2.89Å
233	I	98.8	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.6	176.5	-64.3	159.9	0	0	0	106.1	F235 L315 Y320 K395 F396 A397 L501 L504	I233-F235 HydrophobicContact CG2-CD2 3.88Å; I233-F235 HydrophobicContact CG2-CE2 3.6Å; I233-L315 HydrophobicContact CD1-CD1 4.1Å; I233-L315 HydrophobicContact CD1-CD2 4.19Å; I233-Y320 HydrophobicContact CD1-CE1 4.13Å; I233-Y320 HydrophobicContact CG1-CE1 4.49Å; I233-K395 PolarHBondContact N-O 3.27Å; I233-F396 HydrophobicContact CB-CD2 3.86Å; I233-F396 HydrophobicContact CD1-CD2 4.39Å; I233-F396 HydrophobicContact CG2-CD2 3.7Å; I233-F396 HydrophobicContact CG2-CE2 3.87Å; I233-F396 CarbonylContact O-C 3.54Å; I233-F396 WeakPolarHBondContact O-CA 3.41Å; I233-A397 PolarHBondContact O-N 2.92Å; I233-L501 HydrophobicContact CD1-CD2 4.21Å; I233-L501 HydrophobicContact CG1-CD2 4.42Å; I233-L501 HydrophobicContact CG2-CD2 3.69Å; I233-L504 HydrophobicContact CD1-CD1 4Å; I233-L504 HydrophobicContact CG1-CD1 3.88Å
234	Y	98.9	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	118.5	178.2	-179	-157.5	0	0	0	110.5	L236 V382 F386 A397 Q399 H422 F426 V436 F437 I438	Y234-L236 HydrophobicContact CE2-CB 4.31Å; Y234-V382 HydrophobicContact CD2-CG1 4.19Å; Y234-V382 HydrophobicContact CE1-CG1 4.01Å; Y234-V382 HydrophobicContact CE2-CB 4.43Å; Y234-V382 HydrophobicContact CE2-CG1 3.68Å; Y234-V382 HydrophobicContact CE2-CG2 4.31Å; Y234-F386 HydrophobicContact CD1-CE2 4.43Å; Y234-F386 HydrophobicContact CG-CE2 4.33Å; Y234-F386 HydrophobicContact CG-CZ 4.45Å; Y234-A397 CarbonylContact C-O 3.5Å; Y234-A397 WeakPolarHBondContact CA-O 3.36Å; Y234-A397 HydrophobicContact CD2-CB 3.59Å; Y234-A397 HydrophobicContact CE2-CB 4.18Å; Y234-A397 HydrophobicContact CG-CB 4.29Å; Y234-Q399 HydrophobicContact CE2-CB 4.06Å; Y234-Q399 PolarHBondContact OH-OE1 2.89Å; Y234-H422 AromaticContact CE1-NE2 3.36Å; Y234-H422 WeakPolarHBondContact CE1-NE2 3.48Å; Y234-H422 AromaticContact CZ-NE2 3.49Å; Y234-H422 PolarHBondContact OH-NE2 3.05Å; Y234-F426 HydrophobicContact CD1-CD1 4.49Å; Y234-F426 AromaticContact CD1-CE1 3.74Å; Y234-F426 HydrophobicContact CD1-CE1 3.74Å; Y234-F426 HydrophobicContact CD1-CE2 4.22Å; Y234-F426 AromaticContact CD1-CZ 3.58Å; Y234-F426 HydrophobicContact CD1-CZ 3.58Å; Y234-F426 HydrophobicContact CE1-CD2 4.48Å; Y234-F426 HydrophobicContact CE1-CE1 4.08Å; Y234-F426 AromaticContact CE1-CE2 3.71Å; Y234-F426 HydrophobicContact CE1-CE2 3.71Å; Y234-F426 AromaticContact CE1-CZ 3.46Å; Y234-F426 HydrophobicContact CE1-CZ 3.46Å; Y234-F426 VanDerWaalsContact CE1-CZ 3.46Å; Y234-V436 PolarHBondContact N-O 3.06Å; Y234-F437 HydrophobicContact CD1-CD1 4.21Å; Y234-F437 AromaticContact CD1-CD2 3.68Å; Y234-F437 HydrophobicContact CD1-CD2 3.68Å; Y234-F437 AromaticContact CD1-CE1 3.85Å; Y234-F437 HydrophobicContact CD1-CE1 3.85Å; Y234-F437 AromaticContact CD1-CE2 3.3Å; Y234-F437 HydrophobicContact CD1-CE2 3.3Å; Y234-F437 HydrophobicContact CD1-CG 4.12Å; Y234-F437 AromaticContact CD1-CZ 3.39Å; Y234-F437 HydrophobicContact CD1-CZ 3.39Å; Y234-F437 HydrophobicContact CE1-CD2 4.25Å; Y234-F437 AromaticContact CE1-CE1 3.89Å; Y234-F437 HydrophobicContact CE1-CE1 3.89Å; Y234-F437 AromaticContact CE1-CE2 3.41Å; Y234-F437 HydrophobicContact CE1-CE2 3.41Å; Y234-F437 VanDerWaalsContact CE1-CE2 3.41Å; Y234-F437 AromaticContact CE1-CZ 3.18Å; Y234-F437 HydrophobicContact CE1-CZ 3.18Å; Y234-F437 HydrophobicContact CG-CE1 4.49Å; Y234-F437 HydrophobicContact CG-CE2 4.47Å; Y234-F437 HydrophobicContact CG-CZ 4.41Å; Y234-F437 CarbonylContact O-C 3.58Å; Y234-F437 WeakPolarHBondContact O-CA 3.38Å; Y234-I438 PolarHBondContact O-N 3.36Å
235	F	98.9	Very high	94.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.4	169.1	-75.7	-101.6	0	0	0	109.7	I233 I283 F396 A397 F398 Q399 I438 F440 L497 L501	I233-F235 HydrophobicContact CG2-CD2 3.88Å; I233-F235 HydrophobicContact CG2-CE2 3.6Å; F235-I283 HydrophobicContact CE1-CG2 3.92Å; F235-I283 HydrophobicContact CZ-CG2 3.96Å; F235-F396 HydrophobicContact CD2-CE2 4.44Å; F235-F396 HydrophobicContact CE2-CE2 4.44Å; F235-A397 PolarHBondContact N-O 3.41Å; F235-F398 HydrophobicContact CB-CD2 3.62Å; F235-F398 HydrophobicContact CB-CE2 3.74Å; F235-F398 HydrophobicContact CB-CG 4.11Å; F235-F398 HydrophobicContact CB-CZ 4.3Å; F235-F398 HydrophobicContact CD1-CD2 4.29Å; F235-F398 AromaticContact CD1-CE2 3.72Å; F235-F398 HydrophobicContact CD1-CE2 3.72Å; F235-F398 HydrophobicContact CD1-CZ 4.37Å; F235-F398 AromaticContact CD2-CD2 3.71Å; F235-F398 HydrophobicContact CD2-CD2 3.71Å; F235-F398 AromaticContact CD2-CE2 3.92Å; F235-F398 HydrophobicContact CD2-CE2 3.92Å; F235-F398 HydrophobicContact CE1-CE2 4.25Å; F235-F398 HydrophobicContact CE2-CD2 4.42Å; F235-F398 HydrophobicContact CE2-CE2 4.43Å; F235-F398 AromaticContact CG-CD2 3.63Å; F235-F398 HydrophobicContact CG-CD2 3.63Å; F235-F398 AromaticContact CG-CE2 3.53Å; F235-F398 HydrophobicContact CG-CE2 3.53Å; F235-F398 HydrophobicContact CG-CZ 4.39Å; F235-Q399 PolarHBondContact O-N 3.38Å; F235-I438 CarbonylContact C-O 3.58Å; F235-I438 VanDerWaalsContact CA-O 3.31Å; F235-I438 WeakPolarHBondContact CA-O 3.4Å; F235-I438 HydrophobicContact CD1-CB 3.87Å; F235-I438 HydrophobicContact CD1-CD1 4.3Å; F235-I438 HydrophobicContact CD1-CG2 3.66Å; F235-I438 HydrophobicContact CD2-CD1 4.49Å; F235-I438 HydrophobicContact CE1-CB 3.96Å; F235-I438 HydrophobicContact CE1-CD1 3.61Å; F235-I438 HydrophobicContact CE1-CG1 4.39Å; F235-I438 HydrophobicContact CE1-CG2 3.65Å; F235-I438 HydrophobicContact CE2-CD1 3.82Å; F235-I438 HydrophobicContact CG-CB 4.29Å; F235-I438 HydrophobicContact CZ-CB 4.45Å; F235-I438 HydrophobicContact CZ-CD1 3.33Å; F235-I438 HydrophobicContact CZ-CG1 4.47Å; F235-F440 HydrophobicContact CB-CD1 4.06Å; F235-F440 HydrophobicContact CB-CE1 3.72Å; F235-F440 AromaticContact CD1-CD1 3.81Å; F235-F440 HydrophobicContact CD1-CD1 3.81Å; F235-F440 AromaticContact CD1-CE1 3.99Å; F235-F440 HydrophobicContact CD1-CE1 3.99Å; F235-F440 HydrophobicContact CD1-CG 4.33Å; F235-F440 HydrophobicContact CG-CD1 4.44Å; F235-F440 HydrophobicContact CG-CE1 4.35Å; F235-L497 HydrophobicContact CE1-CD1 4.33Å; F235-L501 HydrophobicContact CE2-CD1 3.73Å; F235-L501 HydrophobicContact CE2-CD2 3.74Å; F235-L501 HydrophobicContact CE2-CG 4.23Å; F235-L501 HydrophobicContact CZ-CD1 3.91Å; F235-L501 HydrophobicContact CZ-CD2 3.91Å; F235-L501 HydrophobicContact CZ-CG 4.19Å
236	L	98.8	Very high	95.2	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.5	170.4	175.4	58.8	0	0	0	108.9	Y234 L379 Q399 T419 F437 I438 V439 F440	Y234-L236 HydrophobicContact CE2-CB 4.31Å; L236-L379 HydrophobicContact CD1-CD2 3.79Å; L236-L379 HydrophobicContact CD2-CD2 4.5Å; L236-Q399 HydrophobicContact CD1-CG 4.35Å; L236-T419 HydrophobicContact CD2-CG2 3.95Å; L236-F437 HydrophobicContact CB-CE1 3.69Å; L236-F437 HydrophobicContact CB-CZ 4.23Å; L236-F437 HydrophobicContact CD2-CE1 4.15Å; L236-F437 HydrophobicContact CD2-CZ 4.13Å; L236-I438 PolarHBondContact N-O 2.88Å; L236-V439 CarbonylContact O-C 3.58Å; L236-V439 WeakPolarHBondContact O-CA 3.38Å; L236-F440 WeakPolarHBondContact O-CD1 3.39Å; L236-F440 PolarHBondContact O-N 3.08Å
237	G	98.1	Very high	95.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.8	-171.1	0	0	0	0	0	114	Q399 I400 H401 F440	G237-Q399 WeakPolarHBondContact CA-O 3.41Å; G237-Q399 PolarHBondContact N-O 2.84Å; G237-I400 WeakPolarHBondContact O-CA 3.39Å; G237-H401 PolarHBondContact O-CD2 2.9Å; G237-H401 PolarHBondContact O-N 2.84Å; G237-F440 CarbonylContact C-O 3.58Å; G237-F440 VanDerWaalsContact CA-O 3.23Å; G237-F440 WeakPolarHBondContact CA-O 3.41Å
238	L	97.3	Very high	95.7	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.6	166.8	-60.5	169	0	0	0	109.5	V241 F246 L250 Y375 H401 V412 F440 S441	L238-V241 HydrophobicContact CB-CG2 3.67Å; L238-V241 HydrophobicContact CD1-CG2 4.12Å; L238-F246 HydrophobicContact CD1-CD2 4.37Å; L238-F246 HydrophobicContact CD1-CE2 3.98Å; L238-L250 HydrophobicContact CD1-CD1 4.46Å; L238-L250 HydrophobicContact CD1-CD2 3.62Å; L238-Y375 HydrophobicContact CD2-CE2 3.92Å; L238-H401 CarbonylContact C-O 3.54Å; L238-H401 WeakPolarHBondContact CA-O 3.26Å; L238-H401 HydrophobicContact CD2-CB 4.02Å; L238-V412 HydrophobicContact CD1-CG2 4.2Å; L238-F440 PolarHBondContact N-O 2.82Å; L238-S441 VanDerWaalsContact O-CA 3.31Å; L238-S441 WeakPolarHBondContact O-CA 3.43Å; L238-S441 WeakPolarHBondContact O-CB 3.47Å; L238-S441 PolarHBondContact O-OG 3.45Å
239	D	93.8	Very high	96	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.027	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	112.6	168.8	171.7	-3	0	0	0	109.2	T276 I400 H401 V402 S405 H406 D442 H443	D239-T276 PolarHBondContact OD2-OG1 3.46Å; D239-T276 VanDerWaalsContact OD2-OG1 3.14Å; D239-I400 HydrophobicContact CB-CD1 4.31Å; D239-I400 HydrophobicContact CB-CG1 4.5Å; D239-H401 PolarHBondContact N-O 3.42Å; D239-V402 HydrophobicContact CB-CB 4.44Å; D239-V402 HydrophobicContact CB-CG1 4.38Å; D239-V402 HydrophobicContact CB-CG2 4.18Å; D239-S405 CarbonylContact O-C 3.51Å; D239-S405 WeakPolarHBondContact O-CB 3.2Å; D239-S405 PolarHBondContact O-OG 3.09Å; D239-H406 PolarHBondContact O-N 3.49Å; D239-H406 VanDerWaalsContact O-N 3.11Å; D239-H406 IonicContact OD1-CD2 3.67Å; D239-H406 IonicContact OD2-CD2 3.1Å; D239-D442 WeakPolarHBondContact CA-OD1 3.39Å; D239-H443 IonicContact OD1-CE1 2.72Å; D239-H443 IonicContact OD1-NE2 3.89Å
240	S	92.6	Very high	96.5	Very high	6 Å²	6	6.8 Å²	6.8	4%	0.042	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	cis	-137.8	124.6	2.5	27.1	0	0	0	0	110.9	S405 H443	S240-S405 PolarHBondContact N-OG 3.31Å; S240-H443 CarbonylContact C-O 3.2Å; S240-H443 VanDerWaalsContact CA-O 3.27Å; S240-H443 WeakPolarHBondContact CA-O 3.42Å; S240-H443 WeakPolarHBondContact CB-CE1 3.23Å; S240-H443 WeakPolarHBondContact CB-ND1 3.36Å; S240-H443 WeakPolarHBondContact CB-O 3.43Å; S240-H443 PolarHBondContact OG-CE1 2.91Å; S240-H443 VanDerWaalsContact OG-CE1 3.25Å
241	V	95.9	Very high	96.7	Very high	2 Å²	2	12 Å²	12	1%	0.012	6%	0.055	C	C	.	.			trans	-134.5	110.7	-166.9	-167.3	0	0	0	0	110.9	L238 F246 L250 V412 S441 H443 F464	L238-V241 HydrophobicContact CB-CG2 3.67Å; L238-V241 HydrophobicContact CD1-CG2 4.12Å; V241-F246 HydrophobicContact CG1-CB 3.78Å; V241-F246 HydrophobicContact CG1-CD2 4.01Å; V241-F246 HydrophobicContact CG1-CG 4.37Å; V241-L250 HydrophobicContact CG1-CD1 4.1Å; V241-V412 HydrophobicContact CG2-CG2 3.83Å; V241-S441 PolarHBondContact N-OG 3.17Å; V241-S441 VanDerWaalsContact O-CB 3.23Å; V241-S441 WeakPolarHBondContact O-CB 3.33Å; V241-S441 PolarHBondContact O-OG 3.31Å; V241-H443 PolarHBondContact N-O 2.76Å; V241-F464 PolarHBondContact O-N 2.89Å; V241-F464 VanDerWaalsContact O-N 3.07Å
242	S	95.6	Very high	96.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-63.3	157.7	172.4	75.6	0	0	0	0	111.4	M244 S245 F246 E459	S242-M244 PolarHBondContact O-N 3.41Å; S242-S245 PolarHBondContact O-N 3.42Å; S242-S245 VanDerWaalsContact OG-CB 3.24Å; S242-S245 WeakPolarHBondContact OG-CB 3.49Å; S242-S245 PolarHBondContact OG-N 3.46Å; S242-S245 PolarHBondContact OG-OG 2.62Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; S242-F246 WeakPolarHBondContact O-CB 3.46Å; S242-F246 PolarHBondContact O-N 3.34Å; S242-E459 WeakPolarHBondContact CB-O 3.25Å; S242-E459 PolarHBondContact OG-OE2 3.26Å
243	R	96.3	Very high	96.8	Very high	8 Å²	8	16.8 Å²	16.8	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-52.5	-43.1	171.6	-168.7	-172.2	80.4	-100.2	-12.7	111.7	Q112 M247 V265 E267 N462 F464	Q112-R243 VanDerWaalsContact OE1-NH1 3.1Å; R243-M247 HydrophobicContact CG-SD 4.35Å; R243-M247 VanDerWaalsContact O-CG 3.28Å; R243-M247 WeakPolarHBondContact O-CG 3.34Å; R243-M247 PolarHBondContact O-N 2.91Å; R243-V265 HydrophobicContact CG-CG1 4.46Å; R243-E267 PolarHBondContact NH1-O 3.47Å; R243-N462 PolarHBondContact N-O 2.93Å; R243-F464 HydrophobicContact CG-CD2 4.25Å
244	M	94.4	Very high	96.8	Very high	9 Å²	9	19 Å²	19	4%	0.044	9%	0.087	C	C	.	.	H	α-helix	trans	-71.1	-39.7	-179.4	-60.5	-74.8	78.1	0	0	112.3	Q112 S242 M247 R248 E459	Q112-M244 HydrophobicContact CB-CG 4Å; Q112-M244 HydrophobicContact CB-SD 3.74Å; S242-M244 PolarHBondContact O-N 3.41Å; M244-M247 HydrophobicContact CE-CE 4.41Å; M244-M247 HydrophobicContact CE-SD 3.4Å; M244-M247 WeakPolarHBondContact CE-SD 3.41Å; M244-M247 PolarHBondContact O-N 3.28Å; M244-R248 WeakPolarHBondContact O-CG 3.47Å; M244-R248 PolarHBondContact O-N 3.21Å; M244-E459 HydrophobicContact CB-CG 4.03Å; M244-E459 WeakPolarHBondContact CB-OE1 3.41Å; M244-E459 HydrophobicContact CG-CG 4.07Å
245	S	94.3	Very high	96.8	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.035	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-38.2	174.7	-71.9	0	0	0	0	111.7	S242 R248 K249 E459	S242-S245 PolarHBondContact O-N 3.42Å; S242-S245 VanDerWaalsContact OG-CB 3.24Å; S242-S245 WeakPolarHBondContact OG-CB 3.49Å; S242-S245 PolarHBondContact OG-N 3.46Å; S242-S245 PolarHBondContact OG-OG 2.62Å; S242-S245 VanDerWaalsContact OG-OG 3.14Å; S245-R248 PolarHBondContact O-N 2.92Å; S245-R248 VanDerWaalsContact O-N 3.14Å; S245-R248 PolarHBondContact OG-NH2 3.19Å; S245-K249 WeakPolarHBondContact O-CB 3.49Å; S245-K249 PolarHBondContact O-N 3.35Å; S245-E459 PolarHBondContact OG-OE2 3.01Å
246	F	97.7	Very high	96.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-50.3	173.4	-162.3	-75.9	0	0	0	110.7	L238 V241 S242 R248 K249 L250 T253 Y254 I257 V439 F464	L238-F246 HydrophobicContact CD1-CD2 4.37Å; L238-F246 HydrophobicContact CD1-CE2 3.98Å; V241-F246 HydrophobicContact CG1-CB 3.78Å; V241-F246 HydrophobicContact CG1-CD2 4.01Å; V241-F246 HydrophobicContact CG1-CG 4.37Å; S242-F246 WeakPolarHBondContact O-CB 3.46Å; S242-F246 PolarHBondContact O-N 3.34Å; F246-R248 PolarHBondContact O-N 3Å; F246-K249 PolarHBondContact O-N 2.6Å; F246-L250 HydrophobicContact CB-CD1 4.45Å; F246-L250 HydrophobicContact CD1-CB 4.05Å; F246-L250 HydrophobicContact CD2-CD1 3.91Å; F246-L250 HydrophobicContact CD2-CD2 4.44Å; F246-L250 HydrophobicContact CE1-CB 3.92Å; F246-L250 HydrophobicContact CE2-CB 4.4Å; F246-L250 HydrophobicContact CE2-CD1 4.29Å; F246-L250 HydrophobicContact CE2-CD2 3.99Å; F246-L250 HydrophobicContact CE2-CG 4.49Å; F246-L250 HydrophobicContact CG-CB 4.36Å; F246-L250 HydrophobicContact CG-CD1 4.09Å; F246-L250 HydrophobicContact CZ-CB 4.11Å; F246-L250 HydrophobicContact CZ-CD2 4.21Å; F246-L250 CarbonylContact O-C 3.49Å; F246-L250 WeakPolarHBondContact O-CA 3.23Å; F246-L250 PolarHBondContact O-N 2.72Å; F246-T253 HydrophobicContact CE1-CG2 4.03Å; F246-T253 HydrophobicContact CZ-CG2 3.66Å; F246-Y254 HydrophobicContact CD1-CD2 4.09Å; F246-Y254 HydrophobicContact CE1-CD2 4.43Å; F246-I257 HydrophobicContact CE1-CD1 4.44Å; F246-I257 HydrophobicContact CZ-CD1 4.23Å; F246-V439 HydrophobicContact CE2-CG1 4.26Å; F246-V439 HydrophobicContact CZ-CG1 4.23Å; F246-F464 HydrophobicContact CB-CB 3.69Å; F246-F464 HydrophobicContact CB-CD2 3.88Å; F246-F464 HydrophobicContact CB-CG 3.81Å; F246-F464 HydrophobicContact CD1-CD1 4.11Å; F246-F464 AromaticContact CD1-CD2 3.75Å; F246-F464 HydrophobicContact CD1-CD2 3.75Å; F246-F464 HydrophobicContact CD1-CE1 4.14Å; F246-F464 AromaticContact CD1-CE2 3.81Å; F246-F464 HydrophobicContact CD1-CE2 3.81Å; F246-F464 AromaticContact CD1-CG 3.91Å; F246-F464 HydrophobicContact CD1-CG 3.91Å; F246-F464 AromaticContact CD1-CZ 4Å; F246-F464 HydrophobicContact CD1-CZ 4Å; F246-F464 HydrophobicContact CD2-CB 3.68Å; F246-F464 AromaticContact CD2-CD1 3.48Å; F246-F464 HydrophobicContact CD2-CD1 3.48Å; F246-F464 VanDerWaalsContact CD2-CD1 3.48Å; F246-F464 HydrophobicContact CD2-CD2 4.2Å; F246-F464 HydrophobicContact CD2-CE1 4.13Å; F246-F464 AromaticContact CD2-CG 3.5Å; F246-F464 HydrophobicContact CD2-CG 3.5Å; F246-F464 HydrophobicContact CE1-CD1 4.1Å; F246-F464 HydrophobicContact CE1-CD2 4.34Å; F246-F464 AromaticContact CE1-CE1 3.78Å; F246-F464 HydrophobicContact CE1-CE1 3.78Å; F246-F464 HydrophobicContact CE1-CE2 4.06Å; F246-F464 HydrophobicContact CE1-CG 4.36Å; F246-F464 AromaticContact CE1-CZ 3.75Å; F246-F464 HydrophobicContact CE1-CZ 3.75Å; F246-F464 HydrophobicContact CE2-CB 4.5Å; F246-F464 AromaticContact CE2-CD1 3.46Å; F246-F464 HydrophobicContact CE2-CD1 3.46Å; F246-F464 VanDerWaalsContact CE2-CD1 3.46Å; F246-F464 AromaticContact CE2-CE1 3.76Å; F246-F464 HydrophobicContact CE2-CE1 3.76Å; F246-F464 AromaticContact CE2-CG 3.99Å; F246-F464 HydrophobicContact CE2-CG 3.99Å; F246-F464 HydrophobicContact CG-CB 3.77Å; F246-F464 AromaticContact CG-CD1 3.82Å; F246-F464 HydrophobicContact CG-CD1 3.82Å; F246-F464 AromaticContact CG-CD2 3.67Å; F246-F464 HydrophobicContact CG-CD2 3.67Å; F246-F464 HydrophobicContact CG-CE1 4.31Å; F246-F464 HydrophobicContact CG-CE2 4.21Å; F246-F464 AromaticContact CG-CG 3.45Å; F246-F464 HydrophobicContact CG-CG 3.45Å; F246-F464 VanDerWaalsContact CG-CG 3.45Å; F246-F464 HydrophobicContact CG-CZ 4.49Å; F246-F464 AromaticContact CZ-CD1 3.78Å; F246-F464 HydrophobicContact CZ-CD1 3.78Å; F246-F464 AromaticContact CZ-CE1 3.56Å; F246-F464 HydrophobicContact CZ-CE1 3.56Å; F246-F464 HydrophobicContact CZ-CG 4.39Å; F246-F464 HydrophobicContact CZ-CZ 4.03Å
247	M	97.4	Very high	96.8	Very high	45 Å²	45	24 Å²	24	22%	0.222	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-27.4	176.1	-68.4	173.2	72.3	0	0	113.5	I114 R243 M244 K251 Y254	I114-M247 HydrophobicContact CD1-CB 3.99Å; I114-M247 HydrophobicContact CD1-CE 4.41Å; R243-M247 HydrophobicContact CG-SD 4.35Å; R243-M247 VanDerWaalsContact O-CG 3.28Å; R243-M247 WeakPolarHBondContact O-CG 3.34Å; R243-M247 PolarHBondContact O-N 2.91Å; M244-M247 HydrophobicContact CE-CE 4.41Å; M244-M247 HydrophobicContact CE-SD 3.4Å; M244-M247 WeakPolarHBondContact CE-SD 3.41Å; M244-M247 PolarHBondContact O-N 3.28Å; M247-K251 WeakPolarHBondContact O-CG 3.43Å; M247-Y254 HydrophobicContact CE-CE1 4.22Å; M247-Y254 HydrophobicContact CE-CE2 4.48Å; M247-Y254 HydrophobicContact CG-CD1 4.41Å; M247-Y254 HydrophobicContact CG-CD2 3.59Å; M247-Y254 HydrophobicContact CG-CE1 4.35Å; M247-Y254 HydrophobicContact CG-CE2 3.49Å; M247-Y254 VanDerWaalsContact CG-CE2 3.49Å; M247-Y254 HydrophobicContact CG-CG 4.07Å; M247-Y254 HydrophobicContact SD-CE2 3.99Å
248	R	95.6	Very high	96.8	Very high	17 Å²	17	25.7 Å²	25.7	6%	0.064	12%	0.118	C	C	.	.	H	α-helix	trans	-81.7	-35.6	176.4	-77.6	-173.7	-66.5	-98.3	-3.1	113.6	I114 M244 S245 F246 K251 E459	I114-R248 HydrophobicContact CD1-CG 4.39Å; I114-R248 HydrophobicContact CG1-CG 3.73Å; I114-R248 WeakPolarHBondContact O-CD 3.42Å; I114-R248 PolarHBondContact O-NH1 3.45Å; M244-R248 WeakPolarHBondContact O-CG 3.47Å; M244-R248 PolarHBondContact O-N 3.21Å; S245-R248 PolarHBondContact O-N 2.92Å; S245-R248 VanDerWaalsContact O-N 3.14Å; S245-R248 PolarHBondContact OG-NH2 3.19Å; F246-R248 PolarHBondContact O-N 3Å; R248-K251 WeakPolarHBondContact O-CE 3.38Å; R248-E459 IonicContact CZ-OE1 2.91Å; R248-E459 IonicContact CZ-OE2 3.45Å; R248-E459 IonicContact NH1-OE1 2.84Å; R248-E459 PolarHBondContact NH1-OE1 2.8Å; R248-E459 IonicContact NH2-OE1 2.66Å; R248-E459 PolarHBondContact NH2-OE1 3.27Å; R248-E459 IonicContact NH2-OE2 2.7Å; R248-E459 PolarHBondContact NH2-OE2 3.22Å
249	K	96.1	Very high	96.8	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-114.1	-24.1	-165.9	-68.8	-58.9	-157.2	161.7	0	114.8	H124 S245 F246 N410 V412 E413	H124-K249 PolarHBondContact O-NZ 2.86Å; S245-K249 WeakPolarHBondContact O-CB 3.49Å; S245-K249 PolarHBondContact O-N 3.35Å; F246-K249 PolarHBondContact O-N 2.6Å; K249-N410 WeakPolarHBondContact CE-OD1 3.45Å; K249-N410 PolarHBondContact NZ-OD1 3.18Å; K249-N410 VanDerWaalsContact NZ-OD1 3.11Å; K249-V412 HydrophobicContact CB-CG1 3.54Å; K249-V412 HydrophobicContact CG-CG1 4.06Å; K249-E413 HydrophobicContact CD-CB 4.26Å; K249-E413 IonicContact NZ-OE2 3.54Å; K249-E413 PolarHBondContact NZ-OE2 2.82Å; K249-E413 VanDerWaalsContact NZ-OE2 3.1Å; K249-E413 WeakPolarHBondContact O-CA 3.3Å
250	L	97.9	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.			trans	-118.3	57.7	175.9	-56.9	94.8	0	0	0	109.4	L238 V241 F246 Y254 V412 A415 D416	L238-L250 HydrophobicContact CD1-CD1 4.46Å; L238-L250 HydrophobicContact CD1-CD2 3.62Å; V241-L250 HydrophobicContact CG1-CD1 4.1Å; F246-L250 HydrophobicContact CB-CD1 4.45Å; F246-L250 HydrophobicContact CD1-CB 4.05Å; F246-L250 HydrophobicContact CD2-CD1 3.91Å; F246-L250 HydrophobicContact CD2-CD2 4.44Å; F246-L250 HydrophobicContact CE1-CB 3.92Å; F246-L250 HydrophobicContact CE2-CB 4.4Å; F246-L250 HydrophobicContact CE2-CD1 4.29Å; F246-L250 HydrophobicContact CE2-CD2 3.99Å; F246-L250 HydrophobicContact CE2-CG 4.49Å; F246-L250 HydrophobicContact CG-CB 4.36Å; F246-L250 HydrophobicContact CG-CD1 4.09Å; F246-L250 HydrophobicContact CZ-CB 4.11Å; F246-L250 HydrophobicContact CZ-CD2 4.21Å; F246-L250 CarbonylContact O-C 3.49Å; F246-L250 WeakPolarHBondContact O-CA 3.23Å; F246-L250 PolarHBondContact O-N 2.72Å; L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 PolarHBondContact O-N 2.8Å; L250-V412 HydrophobicContact CD1-CG1 3.86Å; L250-V412 HydrophobicContact CD1-CG2 3.89Å; L250-V412 HydrophobicContact CD2-CG2 4.43Å; L250-A415 HydrophobicContact CD2-CB 4.25Å; L250-D416 VanDerWaalsContact CA-CG 3.4Å; L250-D416 WeakPolarHBondContact CA-OD1 3.23Å; L250-D416 HydrophobicContact CB-CB 4.46Å
251	K	97.5	Very high	97.3	Very high	129 Å²	129	37.6 Å²	37.6	56%	0.561	17%	0.174	S	C	*	.	H	α-helix	trans	-66.4	-45.3	-170	-71.8	176	-176.3	172	0	111.5	M247 R248 T253 Y254 K255 D416	M247-K251 WeakPolarHBondContact O-CG 3.43Å; R248-K251 WeakPolarHBondContact O-CE 3.38Å; K251-T253 VanDerWaalsContact C-N 3.34Å; K251-Y254 PolarHBondContact O-N 3.49Å; K251-K255 WeakPolarHBondContact O-CB 3.35Å; K251-K255 PolarHBondContact O-N 3.03Å; K251-D416 PolarHBondContact N-OD2 3.03Å
252	E	98.5	Very high	97.3	Very high	110 Å²	110	42.4 Å²	42.4	51%	0.514	20%	0.199	S	C	.	.	H	α-helix	trans	-70.7	-36.8	-178.1	-60.7	-53.6	130	0	0	110.5	K255 H256 D416 V420	E252-K255 PolarHBondContact O-N 3.19Å; E252-H256 VanDerWaalsContact O-CB 3.27Å; E252-H256 WeakPolarHBondContact O-CB 3.39Å; E252-H256 PolarHBondContact O-N 3.4Å; E252-D416 PolarHBondContact N-OD1 3.09Å; E252-D416 PolarHBondContact N-OD2 3.2Å; E252-V420 HydrophobicContact CB-CG2 3.87Å
253	T	98.8	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-49.3	172.7	-56.7	0	0	0	0	111	F246 K251 K255 H256 I257 D416 T419 L423	F246-T253 HydrophobicContact CE1-CG2 4.03Å; F246-T253 HydrophobicContact CZ-CG2 3.66Å; K251-T253 VanDerWaalsContact C-N 3.34Å; T253-K255 VanDerWaalsContact C-N 3.34Å; T253-K255 PolarHBondContact O-N 2.63Å; T253-H256 PolarHBondContact O-N 3.36Å; T253-I257 HydrophobicContact CG2-CD1 3.81Å; T253-I257 HydrophobicContact CG2-CG1 4.42Å; T253-I257 VanDerWaalsContact O-CG1 3.26Å; T253-I257 WeakPolarHBondContact O-CG1 3.23Å; T253-I257 PolarHBondContact O-N 3.3Å; T253-D416 VanDerWaalsContact CB-OD1 3.25Å; T253-D416 WeakPolarHBondContact CB-OD1 3.35Å; T253-D416 PolarHBondContact N-OD1 3.14Å; T253-D416 PolarHBondContact OG1-O 3.17Å; T253-D416 VanDerWaalsContact OG1-O 3.06Å; T253-D416 PolarHBondContact OG1-OD1 2.95Å; T253-T419 HydrophobicContact CG2-CG2 3.51Å; T253-L423 HydrophobicContact CG2-CD1 4.15Å
254	Y	98.7	Very high	97.6	Very high	48 Å²	48	43.4 Å²	43.4	19%	0.188	21%	0.208	C	C	.	.	H	α-helix	trans	-57	-50.3	177.9	-177.3	-90.8	0	0	0	110.7	F246 M247 L250 K251 H256 I257 T258 V265 F464	F246-Y254 HydrophobicContact CD1-CD2 4.09Å; F246-Y254 HydrophobicContact CE1-CD2 4.43Å; M247-Y254 HydrophobicContact CE-CE1 4.22Å; M247-Y254 HydrophobicContact CE-CE2 4.48Å; M247-Y254 HydrophobicContact CG-CD1 4.41Å; M247-Y254 HydrophobicContact CG-CD2 3.59Å; M247-Y254 HydrophobicContact CG-CE1 4.35Å; M247-Y254 HydrophobicContact CG-CE2 3.49Å; M247-Y254 VanDerWaalsContact CG-CE2 3.49Å; M247-Y254 HydrophobicContact CG-CG 4.07Å; M247-Y254 HydrophobicContact SD-CE2 3.99Å; L250-Y254 WeakPolarHBondContact O-CB 3.32Å; L250-Y254 PolarHBondContact O-N 2.8Å; K251-Y254 PolarHBondContact O-N 3.49Å; Y254-H256 PolarHBondContact O-N 3.37Å; Y254-I257 PolarHBondContact O-N 3.3Å; Y254-T258 HydrophobicContact CD1-CG2 4.36Å; Y254-T258 HydrophobicContact CE1-CG2 3.94Å; Y254-T258 HydrophobicContact CE2-CG2 4.25Å; Y254-T258 PolarHBondContact O-N 2.82Å; Y254-T258 PolarHBondContact O-OG1 2.99Å; Y254-V265 HydrophobicContact CE2-CG2 3.98Å; Y254-F464 HydrophobicContact CD2-CD2 4.4Å; Y254-F464 AromaticContact CD2-CE2 3.59Å; Y254-F464 HydrophobicContact CD2-CE2 3.59Å; Y254-F464 HydrophobicContact CD2-CZ 4.24Å; Y254-F464 AromaticContact CE2-CE2 3.76Å; Y254-F464 HydrophobicContact CE2-CE2 3.76Å
255	K	98.6	Very high	97.8	Very high	92 Å²	92	43.5 Å²	43.5	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-56.9	-48.8	177.5	-173	-172.3	176.8	-174.1	0	111.7	K251 E252 T253 I257 T258 E259	K251-K255 WeakPolarHBondContact O-CB 3.35Å; K251-K255 PolarHBondContact O-N 3.03Å; E252-K255 PolarHBondContact O-N 3.19Å; T253-K255 VanDerWaalsContact C-N 3.34Å; T253-K255 PolarHBondContact O-N 2.63Å; K255-I257 PolarHBondContact O-N 2.66Å; K255-T258 PolarHBondContact O-N 3.21Å; K255-T258 PolarHBondContact O-OG1 2.99Å; K255-E259 WeakPolarHBondContact CE-OE2 3.29Å; K255-E259 HydrophobicContact CG-CB 4.48Å; K255-E259 VanDerWaalsContact CG-CD 3.46Å; K255-E259 HydrophobicContact CG-CG 4.17Å; K255-E259 VanDerWaalsContact CG-OE2 3.31Å; K255-E259 WeakPolarHBondContact CG-OE2 3.46Å; K255-E259 VanDerWaalsContact O-CB 3.28Å; K255-E259 WeakPolarHBondContact O-CB 3.28Å; K255-E259 PolarHBondContact O-N 3.33Å
256	H	98.7	Very high	98	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.069	21%	0.208	C	C	.	.	I	π-helix	trans	-62.4	-42.6	-179.8	-168.7	70.3	0	0	0	111.7	E252 T253 Y254 E260 L261 V420	E252-H256 VanDerWaalsContact O-CB 3.27Å; E252-H256 WeakPolarHBondContact O-CB 3.39Å; E252-H256 PolarHBondContact O-N 3.4Å; T253-H256 PolarHBondContact O-N 3.36Å; Y254-H256 PolarHBondContact O-N 3.37Å; H256-E260 WeakPolarHBondContact O-CB 3.47Å; H256-E260 PolarHBondContact O-N 3.28Å; H256-L261 PolarHBondContact O-N 2.62Å; H256-V420 HydrophobicContact CB-CG2 4.49Å
257	I	98.7	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-59.6	-50.7	175.2	-69.3	168.4	0	0	0	110.6	F246 T253 Y254 K255 L261 N262 G263 L423 V439 F464 I468	F246-I257 HydrophobicContact CE1-CD1 4.44Å; F246-I257 HydrophobicContact CZ-CD1 4.23Å; T253-I257 HydrophobicContact CG2-CD1 3.81Å; T253-I257 HydrophobicContact CG2-CG1 4.42Å; T253-I257 VanDerWaalsContact O-CG1 3.26Å; T253-I257 WeakPolarHBondContact O-CG1 3.23Å; T253-I257 PolarHBondContact O-N 3.3Å; Y254-I257 PolarHBondContact O-N 3.3Å; K255-I257 PolarHBondContact O-N 2.66Å; I257-L261 CarbonylContact O-C 3.51Å; I257-N262 PolarHBondContact O-N 2.61Å; I257-G263 WeakPolarHBondContact O-CA 3.22Å; I257-G263 PolarHBondContact O-N 2.89Å; I257-L423 HydrophobicContact CD1-CD1 4.33Å; I257-L423 HydrophobicContact CG1-CD1 3.77Å; I257-V439 HydrophobicContact CD1-CB 4.03Å; I257-V439 HydrophobicContact CD1-CG1 4.11Å; I257-V439 HydrophobicContact CD1-CG2 3.87Å; I257-F464 HydrophobicContact CD1-CE1 4.1Å; I257-F464 HydrophobicContact CD1-CZ 4.08Å; I257-I468 HydrophobicContact CG1-CD1 4.37Å; I257-I468 HydrophobicContact CG2-CD1 4.31Å; I257-I468 HydrophobicContact CG2-CG1 4.37Å
258	T	98.4	Very high	97.8	Very high	34 Å²	34	44.9 Å²	44.9	21%	0.209	22%	0.215	C	C	.	.	I	π-helix	trans	-81.3	-39.6	-170.3	55.6	0	0	0	0	113.8	Y254 K255 V265	Y254-T258 HydrophobicContact CD1-CG2 4.36Å; Y254-T258 HydrophobicContact CE1-CG2 3.94Å; Y254-T258 HydrophobicContact CE2-CG2 4.25Å; Y254-T258 PolarHBondContact O-N 2.82Å; Y254-T258 PolarHBondContact O-OG1 2.99Å; K255-T258 PolarHBondContact O-N 3.21Å; K255-T258 PolarHBondContact O-OG1 2.99Å; T258-V265 HydrophobicContact CG2-CG2 3.73Å
259	E	98.1	Very high	97.9	Very high	128 Å²	128	44.1 Å²	44.1	60%	0.598	21%	0.212	S	C	*	.	I	π-helix	trans	-95	-40.9	-171.5	-59.8	179.9	-170.5	0	0	112.3	K255	K255-E259 WeakPolarHBondContact CE-OE2 3.29Å; K255-E259 HydrophobicContact CG-CB 4.48Å; K255-E259 VanDerWaalsContact CG-CD 3.46Å; K255-E259 HydrophobicContact CG-CG 4.17Å; K255-E259 VanDerWaalsContact CG-OE2 3.31Å; K255-E259 WeakPolarHBondContact CG-OE2 3.46Å; K255-E259 VanDerWaalsContact O-CB 3.28Å; K255-E259 WeakPolarHBondContact O-CB 3.28Å; K255-E259 PolarHBondContact O-N 3.33Å
260	E	97.7	Very high	97.9	Very high	119 Å²	119	43.8 Å²	43.8	56%	0.556	21%	0.21	S	C	*	.	I	π-helix	trans	-91.9	-40.6	-175.3	-59.6	-66.6	158.7	0	0	112.3	H256	H256-E260 WeakPolarHBondContact O-CB 3.47Å; H256-E260 PolarHBondContact O-N 3.28Å
261	L	97.9	Very high	97.8	Very high	19 Å²	19	44 Å²	44	10%	0.099	21%	0.211	C	C	.	.	S	Bend	trans	-98.3	-3.1	-177	-57.6	-176	0	0	0	113.6	H256 I257 G263 L423 Q427 L432 I468	H256-L261 PolarHBondContact O-N 2.62Å; I257-L261 CarbonylContact O-C 3.51Å; L261-G263 PolarHBondContact O-N 2.79Å; L261-G263 VanDerWaalsContact O-N 3.17Å; L261-L423 HydrophobicContact CD1-CB 4.15Å; L261-L423 HydrophobicContact CD1-CD1 4.49Å; L261-L423 HydrophobicContact CD1-CD2 4.11Å; L261-L423 HydrophobicContact CD1-CG 4.49Å; L261-Q427 HydrophobicContact CD2-CG 4.37Å; L261-L432 HydrophobicContact CD1-CD1 4.19Å; L261-L432 HydrophobicContact CD2-CD1 3.64Å; L261-I468 HydrophobicContact CB-CD1 4.29Å; L261-I468 HydrophobicContact CB-CG1 4.37Å; L261-I468 HydrophobicContact CB-CG2 4.12Å; L261-I468 HydrophobicContact CD1-CD1 3.85Å
262	N	97.2	Very high	97.6	Very high	102 Å²	102	38.4 Å²	38.4	55%	0.545	19%	0.188	S	C	.	.			trans	52	34.7	-177.9	-159.9	25.3	0	0	0	112.7	I257 R485	I257-N262 PolarHBondContact O-N 2.61Å; N262-R485 PolarHBondContact ND2-NH2 3.49Å
263	G	98.4	Very high	97.1	Very high	8 Å²	8	33.7 Å²	33.7	8%	0.082	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-67.3	135.9	178.2	0	0	0	0	0	111.1	I257 L261 I467	I257-G263 WeakPolarHBondContact O-CA 3.22Å; I257-G263 PolarHBondContact O-N 2.89Å; L261-G263 PolarHBondContact O-N 2.79Å; L261-G263 VanDerWaalsContact O-N 3.17Å; G263-I467 WeakPolarHBondContact CA-O 3.38Å
264	T	98.7	Very high	96.4	Very high	22 Å²	22	34.4 Å²	34.4	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117	176.2	-60.4	0	0	0	0	109.7	S466 I467 V484	T264-S466 CarbonylContact O-C 3.41Å; T264-S466 WeakPolarHBondContact O-CA 3.26Å; T264-I467 PolarHBondContact N-O 2.87Å; T264-I467 PolarHBondContact O-N 2.76Å; T264-V484 HydrophobicContact CG2-CG1 4.13Å
265	V	98.7	Very high	95.8	Very high	12 Å²	12	32.4 Å²	32.4	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.1	172	-178.8	0	0	0	0	109.4	R243 Y254 T258 E267 F464 V465 G488	R243-V265 HydrophobicContact CG-CG1 4.46Å; Y254-V265 HydrophobicContact CE2-CG2 3.98Å; T258-V265 HydrophobicContact CG2-CG2 3.73Å; V265-E267 HydrophobicContact CB-CG 4.37Å; V265-E267 HydrophobicContact CG1-CG 4.11Å; V265-E267 PolarHBondContact O-N 2.77Å; V265-F464 HydrophobicContact CG1-CD2 4.42Å; V265-F464 HydrophobicContact CG1-CE2 4.02Å; V265-F464 HydrophobicContact CG2-CE2 3.99Å; V265-F464 HydrophobicContact CG2-CZ 4.29Å; V265-V465 WeakPolarHBondContact CA-O 3.37Å; V265-G488 VanDerWaalsContact O-CA 3.25Å; V265-G488 WeakPolarHBondContact O-CA 3.36Å
266	L	98.3	Very high	95.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.152	C	C	.	.			trans	-85.6	82.5	172.7	-55.4	-174.4	0	0	0	108.8	M268 Y269 V465 L497 L522	L266-M268 PolarHBondContact O-N 3.34Å; L266-Y269 HydrophobicContact CB-CD2 4.4Å; L266-Y269 HydrophobicContact CD1-CD2 3.84Å; L266-Y269 HydrophobicContact CD1-CE2 4.45Å; L266-Y269 WeakPolarHBondContact O-CB 3.39Å; L266-Y269 PolarHBondContact O-N 2.83Å; L266-Y269 VanDerWaalsContact O-N 3.1Å; L266-V465 HydrophobicContact CB-CB 4.27Å; L266-V465 HydrophobicContact CD1-CB 4.19Å; L266-V465 HydrophobicContact CD1-CG1 3.71Å; L266-V465 HydrophobicContact CG-CB 4.41Å; L266-V465 HydrophobicContact CG-CG1 4.24Å; L266-V465 PolarHBondContact N-O 2.91Å; L266-L497 HydrophobicContact CD1-CD2 4.21Å; L266-L522 HydrophobicContact CD1-CD1 3.92Å; L266-L522 HydrophobicContact CD1-CD2 4.28Å; L266-L522 HydrophobicContact CD2-CD1 4.25Å; L266-L522 HydrophobicContact CD2-CD2 4.14Å
267	E	96	Very high	95.3	Very high	57 Å²	57	28.7 Å²	28.7	27%	0.266	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.6	-169.7	-63.5	-162.2	-141.1	0	0	114.2	R109 R243 V265 G488	R109-E267 IonicContact CZ-OE2 3.21Å; R109-E267 IonicContact NH1-OE2 3.05Å; R109-E267 PolarHBondContact NH1-OE2 3.39Å; R109-E267 IonicContact NH2-OE2 3.68Å; R109-E267 PolarHBondContact NH2-OE2 3.33Å; R243-E267 PolarHBondContact NH1-O 3.47Å; V265-E267 HydrophobicContact CB-CG 4.37Å; V265-E267 HydrophobicContact CG1-CG 4.11Å; V265-E267 PolarHBondContact O-N 2.77Å; E267-G488 WeakPolarHBondContact CB-O 3.21Å; E267-G488 PolarHBondContact N-O 3.24Å
268	M	95.1	Very high	95	Very high	22 Å²	22	29.8 Å²	29.8	11%	0.108	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	24.1	177.5	-62.5	-178.8	66.6	0	0	112.4	C107 R109 L266 N489 R490 T492	C107-M268 HydrophobicContact CB-CE 4.05Å; C107-M268 WeakPolarHBondContact O-CE 3.49Å; C107-M268 VanDerWaalsContact SG-CE 3.51Å; R109-M268 HydrophobicContact CB-CE 3.85Å; R109-M268 HydrophobicContact CB-CG 4.05Å; R109-M268 HydrophobicContact CB-SD 4.01Å; R109-M268 HydrophobicContact CG-CG 3.99Å; L266-M268 PolarHBondContact O-N 3.34Å; M268-N489 VanDerWaalsContact SD-O 3.33Å; M268-R490 WeakPolarHBondContact CB-O 3.34Å; M268-T492 PolarHBondContact O-N 3.49Å
269	Y	97.9	Very high	94.9	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-64.6	135.1	172.1	-169.8	-89.2	0	0	0	110.8	L266 N462 P463 V465 T492 P494 L497	L266-Y269 HydrophobicContact CB-CD2 4.4Å; L266-Y269 HydrophobicContact CD1-CD2 3.84Å; L266-Y269 HydrophobicContact CD1-CE2 4.45Å; L266-Y269 WeakPolarHBondContact O-CB 3.39Å; L266-Y269 PolarHBondContact O-N 2.83Å; L266-Y269 VanDerWaalsContact O-N 3.1Å; Y269-N462 PolarHBondContact O-ND2 3.46Å; Y269-P463 HydrophobicContact CD1-CG 3.7Å; Y269-P463 HydrophobicContact CE1-CG 3.81Å; Y269-V465 HydrophobicContact CD1-CB 4.5Å; Y269-V465 HydrophobicContact CD1-CG2 3.51Å; Y269-V465 HydrophobicContact CD2-CB 4.17Å; Y269-V465 HydrophobicContact CD2-CG1 4.43Å; Y269-V465 HydrophobicContact CD2-CG2 3.85Å; Y269-V465 HydrophobicContact CE1-CG2 3.57Å; Y269-V465 HydrophobicContact CE2-CB 4.49Å; Y269-V465 HydrophobicContact CE2-CG1 4.44Å; Y269-V465 HydrophobicContact CE2-CG2 3.92Å; Y269-V465 HydrophobicContact CG-CB 4.13Å; Y269-V465 HydrophobicContact CG-CG2 3.61Å; Y269-T492 WeakPolarHBondContact CA-O 3.14Å; Y269-T492 WeakPolarHBondContact CA-OG1 3.42Å; Y269-P494 HydrophobicContact CE1-CG 4.41Å; Y269-P494 VanDerWaalsContact CZ-CD 3.49Å; Y269-P494 VanDerWaalsContact OH-CA 3.31Å; Y269-P494 WeakPolarHBondContact OH-CA 3.3Å; Y269-P494 VanDerWaalsContact OH-CD 3.23Å; Y269-P494 WeakPolarHBondContact OH-CD 3.31Å; Y269-P494 WeakPolarHBondContact OH-CG 3.46Å; Y269-L497 HydrophobicContact CE2-CD1 3.77Å; Y269-L497 HydrophobicContact CE2-CG 4.04Å; Y269-L497 WeakPolarHBondContact OH-CD1 3.45Å
270	N	96.7	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.			trans	-128.9	139.1	-175.3	-159.8	102.9	0	0	0	110.9	R461 L491 T492 P494 I537 W541 S543	N270-R461 WeakPolarHBondContact CA-O 3.47Å; N270-L491 HydrophobicContact CB-CD1 3.84Å; N270-T492 PolarHBondContact N-O 2.64Å; N270-P494 WeakPolarHBondContact O-CD 3.33Å; N270-I537 HydrophobicContact CB-CD1 3.9Å; N270-W541 PolarHBondContact ND2-O 2.81Å; N270-S543 VanDerWaalsContact OD1-CB 3.26Å; N270-S543 WeakPolarHBondContact OD1-CB 3.37Å; N270-S543 PolarHBondContact OD1-N 3.29Å; N270-S543 PolarHBondContact OD1-OG 2.75Å
271	V	95.6	Very high	94.9	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.024	10%	0.097	C	C	.	.			trans	-63.6	161.3	171.1	-57.9	0	0	0	0	111.4	H443 R461 P463 W541	V271-H443 HydrophobicContact CG1-CB 3.87Å; V271-R461 HydrophobicContact CG2-CB 3.87Å; V271-R461 HydrophobicContact CG2-CG 3.91Å; V271-R461 PolarHBondContact N-O 2.65Å; V271-P463 HydrophobicContact CG1-CG 3.95Å; V271-W541 HydrophobicContact CG2-CB 4.39Å; V271-W541 HydrophobicContact CG2-CD2 4.36Å; V271-W541 HydrophobicContact CG2-CE3 3.74Å; V271-W541 HydrophobicContact CG2-CZ3 4.45Å
272	V	92.8	Very high	94.9	Very high	13 Å²	13	15.7 Å²	15.7	8%	0.079	9%	0.092	C	C	.	.			trans	-119	-2.8	178.3	-64.4	0	0	0	0	113.2	P278 S282 T493 P494 F495 I537 P538	V272-P278 HydrophobicContact CG2-CB 4.44Å; V272-S282 WeakPolarHBondContact CG2-OG 3.26Å; V272-T493 HydrophobicContact CG1-CG2 4.21Å; V272-P494 HydrophobicContact CG1-CG 4.36Å; V272-P494 HydrophobicContact CG2-CB 4.45Å; V272-P494 HydrophobicContact CG2-CG 4.02Å; V272-F495 HydrophobicContact CB-CE2 4.13Å; V272-F495 HydrophobicContact CG1-CD2 4.08Å; V272-F495 HydrophobicContact CG1-CE2 3.73Å; V272-F495 HydrophobicContact CG2-CE2 4.3Å; V272-F495 HydrophobicContact CG2-CZ 4.48Å; V272-I537 HydrophobicContact CG1-CG1 4.21Å; V272-P538 WeakPolarHBondContact O-CD 3.47Å
273	G	88.5	Confident	95	Very high	10 Å²	10	10.9 Å²	10.9	10%	0.103	7%	0.066	C	C	.	.	S	Bend	trans	-172	-175.9	-178.7	0	0	0	0	0	112.3	P278	G273-P278 VanDerWaalsContact C-CG 3.43Å
274	D	83.8	Confident	95	Very high	15 Å²	15	10.5 Å²	10.5	8%	0.08	6%	0.062	C	C	.	.	S	Bend	trans	-81.6	119.5	179.9	-169.9	21.3	0	0	0	112.8	P278 R446 W541 S605	D274-P278 VanDerWaalsContact O-CD 3.24Å; D274-P278 WeakPolarHBondContact O-CD 3.36Å; D274-P278 VanDerWaalsContact O-CG 3.23Å; D274-P278 WeakPolarHBondContact O-CG 3.42Å; D274-R446 VanDerWaalsContact OD1-CD 3.32Å; D274-R446 WeakPolarHBondContact OD1-CD 3.37Å; D274-R446 IonicContact OD1-CZ 2.77Å; D274-R446 IonicContact OD1-NE 2.64Å; D274-R446 PolarHBondContact OD1-NE 3.06Å; D274-R446 IonicContact OD1-NH1 3.99Å; D274-R446 PolarHBondContact OD1-NH1 3.18Å; D274-R446 IonicContact OD2-CZ 3.62Å; D274-R446 IonicContact OD2-NE 3.52Å; D274-R446 IonicContact OD2-NH1 3.91Å; D274-R446 PolarHBondContact OD2-NH1 3.07Å; D274-R446 IonicContact OD2-NH2 2.8Å; D274-R446 PolarHBondContact OD2-NH2 3.21Å; D274-W541 HydrophobicContact CB-CH2 3.88Å; D274-W541 HydrophobicContact CB-CZ2 3.56Å; D274-S605 WeakPolarHBondContact CB-OG 3.37Å; D274-S605 WeakPolarHBondContact OD2-CB 3.47Å; D274-S605 PolarHBondContact OD2-OG 3.04Å
275	G	85.9	Confident	95	Very high	6 Å²	6	9.9 Å²	9.9	6%	0.062	6%	0.059	C	C	.	.	S	Bend	trans	79	-167.3	171.8	0	0	0	0	0	114.9	P278 H443	G275-P278 WeakPolarHBondContact O-CD 3.47Å; G275-P278 WeakPolarHBondContact O-CG 3.3Å; G275-H443 WeakPolarHBondContact CA-CD2 3.23Å; G275-H443 VanDerWaalsContact CA-NE2 3.32Å; G275-H443 WeakPolarHBondContact CA-NE2 3.48Å
276	T	93.5	Very high	95	Very high	14 Å²	14	9.8 Å²	9.8	9%	0.086	6%	0.061	C	C	.	.	H	α-helix	trans	-66.2	-47	-175.6	-36	0	0	0	0	114.2	D239 A279 L280 T333 I400 D442	D239-T276 PolarHBondContact OD2-OG1 3.46Å; D239-T276 VanDerWaalsContact OD2-OG1 3.14Å; T276-A279 PolarHBondContact O-N 2.78Å; T276-A279 VanDerWaalsContact O-N 3.08Å; T276-L280 HydrophobicContact CG2-CD2 3.41Å; T276-L280 VanDerWaalsContact CG2-CD2 3.41Å; T276-L280 HydrophobicContact CG2-CG 3.76Å; T276-L280 WeakPolarHBondContact O-CB 3.43Å; T276-L280 VanDerWaalsContact O-CD2 3.31Å; T276-L280 WeakPolarHBondContact O-CD2 3.2Å; T276-L280 PolarHBondContact O-N 3.41Å; T276-T333 HydrophobicContact CG2-CG2 4.1Å; T276-T333 WeakPolarHBondContact CG2-OG1 3.36Å; T276-I400 HydrophobicContact CG2-CD1 4.06Å; T276-D442 VanDerWaalsContact CA-OD2 3.25Å; T276-D442 WeakPolarHBondContact CA-OD2 3.34Å; T276-D442 WeakPolarHBondContact CB-OD2 3.44Å; T276-D442 HydrophobicContact CG2-CB 4.19Å; T276-D442 VanDerWaalsContact CG2-OD2 3.25Å; T276-D442 WeakPolarHBondContact CG2-OD2 3.48Å; T276-D442 PolarHBondContact OG1-OD2 3.49Å
277	P	92.9	Very high	94.9	Very high	16 Å²	16	13.4 Å²	13.4	10%	0.104	8%	0.076	C	C	.	.	H	α-helix	trans	-55.5	-46.9	-174.7	-25.6	35.1	0	0	0	115.6	A279 L280 L281 T333	P277-A279 VanDerWaalsContact C-N 3.31Å; P277-A279 PolarHBondContact O-N 3.33Å; P277-L280 PolarHBondContact O-N 2.82Å; P277-L281 WeakPolarHBondContact O-CB 3.37Å; P277-L281 VanDerWaalsContact O-CG 3.25Å; P277-L281 WeakPolarHBondContact O-CG 3.5Å; P277-L281 PolarHBondContact O-N 3.24Å; P277-T333 HydrophobicContact CB-CG2 4.33Å; P277-T333 HydrophobicContact CG-CG2 4.15Å
278	P	92.1	Very high	94.7	Very high	22 Å²	22	12.5 Å²	12.5	14%	0.143	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-30.4	178.4	23.7	-32.1	0	0	0	113.2	V272 G273 D274 G275 S282	V272-P278 HydrophobicContact CG2-CB 4.44Å; G273-P278 VanDerWaalsContact C-CG 3.43Å; D274-P278 VanDerWaalsContact O-CD 3.24Å; D274-P278 WeakPolarHBondContact O-CD 3.36Å; D274-P278 VanDerWaalsContact O-CG 3.23Å; D274-P278 WeakPolarHBondContact O-CG 3.42Å; G275-P278 WeakPolarHBondContact O-CD 3.47Å; G275-P278 WeakPolarHBondContact O-CG 3.3Å; P278-S282 WeakPolarHBondContact O-CB 3.05Å; P278-S282 PolarHBondContact O-N 2.87Å; P278-S282 PolarHBondContact O-OG 3.12Å
279	A	96.5	Very high	94.5	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.033	7%	0.072	C	C	.	.	H	α-helix	trans	-69.2	-51.9	174	0	0	0	0	0	111	T276 P277 S282 I283 D442	T276-A279 PolarHBondContact O-N 2.78Å; T276-A279 VanDerWaalsContact O-N 3.08Å; P277-A279 VanDerWaalsContact C-N 3.31Å; P277-A279 PolarHBondContact O-N 3.33Å; A279-S282 PolarHBondContact O-N 3.14Å; A279-I283 WeakPolarHBondContact O-CG1 3.13Å; A279-I283 PolarHBondContact O-N 3.26Å; A279-D442 HydrophobicContact CB-CB 3.82Å
280	L	98.2	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.3	-45.3	-174	-79	-76.3	0	0	0	111.5	T276 P277 S282 I283 L284 T333 F334 F398 I400 F440 D442	T276-L280 HydrophobicContact CG2-CD2 3.41Å; T276-L280 VanDerWaalsContact CG2-CD2 3.41Å; T276-L280 HydrophobicContact CG2-CG 3.76Å; T276-L280 WeakPolarHBondContact O-CB 3.43Å; T276-L280 VanDerWaalsContact O-CD2 3.31Å; T276-L280 WeakPolarHBondContact O-CD2 3.2Å; T276-L280 PolarHBondContact O-N 3.41Å; P277-L280 PolarHBondContact O-N 2.82Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.08Å; L280-I283 PolarHBondContact O-N 3.4Å; L280-L284 HydrophobicContact CB-CD1 4.34Å; L280-L284 HydrophobicContact CD1-CD1 4.31Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 WeakPolarHBondContact O-CD1 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.06Å; L280-T333 HydrophobicContact CB-CG2 4.05Å; L280-T333 HydrophobicContact CG-CG2 4.21Å; L280-F334 HydrophobicContact CB-CZ 4.31Å; L280-F398 HydrophobicContact CD1-CD1 4.3Å; L280-F398 HydrophobicContact CD1-CE1 3.17Å; L280-F398 HydrophobicContact CD1-CZ 3.42Å; L280-F398 VanDerWaalsContact CD1-CZ 3.42Å; L280-I400 HydrophobicContact CD1-CD1 4.4Å; L280-I400 HydrophobicContact CD2-CD1 4.16Å; L280-F440 HydrophobicContact CD1-CZ 4.49Å; L280-F440 HydrophobicContact CD2-CE2 4.49Å; L280-D442 HydrophobicContact CD2-CB 3.75Å
281	L	98.1	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-40.1	175.8	-71.7	172.4	0	0	0	111.5	P277 L284 T285 K287 E289 L292 Y308 F310 F334	P277-L281 WeakPolarHBondContact O-CB 3.37Å; P277-L281 VanDerWaalsContact O-CG 3.25Å; P277-L281 WeakPolarHBondContact O-CG 3.5Å; P277-L281 PolarHBondContact O-N 3.24Å; L281-L284 PolarHBondContact O-N 3.43Å; L281-T285 HydrophobicContact CD2-CG2 4.33Å; L281-T285 WeakPolarHBondContact O-CA 3.42Å; L281-T285 WeakPolarHBondContact O-CB 3.27Å; L281-T285 PolarHBondContact O-N 2.88Å; L281-T285 PolarHBondContact O-OG1 3.3Å; L281-K287 CarbonylContact C-O 3.57Å; L281-E289 HydrophobicContact CD1-CB 3.86Å; L281-E289 HydrophobicContact CD1-CG 4.11Å; L281-L292 HydrophobicContact CB-CD1 4.44Å; L281-L292 HydrophobicContact CD1-CD1 4.28Å; L281-L292 HydrophobicContact CD2-CD1 3.9Å; L281-L292 HydrophobicContact CG-CD1 4.45Å; L281-Y308 HydrophobicContact CD1-CE2 4.4Å; L281-Y308 HydrophobicContact CD2-CD2 3.58Å; L281-Y308 HydrophobicContact CD2-CE2 3.57Å; L281-F310 HydrophobicContact CD2-CE1 4.18Å; L281-F334 HydrophobicContact CD2-CD1 4.38Å; L281-F334 HydrophobicContact CD2-CE1 3.58Å; L281-F334 HydrophobicContact CD2-CZ 4.4Å; L281-F334 HydrophobicContact CG-CE1 4Å
282	S	98.2	Very high	94	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-39.6	179.3	-62	0	0	0	0	112.1	V272 P278 A279 L280 G286 F495 H498	V272-S282 WeakPolarHBondContact CG2-OG 3.26Å; P278-S282 WeakPolarHBondContact O-CB 3.05Å; P278-S282 PolarHBondContact O-N 2.87Å; P278-S282 PolarHBondContact O-OG 3.12Å; A279-S282 PolarHBondContact O-N 3.14Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.08Å; S282-G286 WeakPolarHBondContact O-CA 3.15Å; S282-G286 PolarHBondContact O-N 2.72Å; S282-F495 WeakPolarHBondContact OG-CE1 3.16Å; S282-F495 WeakPolarHBondContact OG-CZ 3.36Å; S282-H498 WeakPolarHBondContact O-CB 3.34Å
283	I	98.8	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-46.8	173.4	-64.7	168.1	0	0	0	110.8	F235 A279 L280 F398 F440 P494 L497 H498	F235-I283 HydrophobicContact CE1-CG2 3.92Å; F235-I283 HydrophobicContact CZ-CG2 3.96Å; A279-I283 WeakPolarHBondContact O-CG1 3.13Å; A279-I283 PolarHBondContact O-N 3.26Å; L280-I283 PolarHBondContact O-N 3.4Å; I283-F398 HydrophobicContact CG2-CE2 3.85Å; I283-F398 HydrophobicContact CG2-CZ 4.47Å; I283-F440 HydrophobicContact CD1-CD2 4.12Å; I283-F440 HydrophobicContact CD1-CE2 4.01Å; I283-P494 HydrophobicContact CG1-CB 3.9Å; I283-L497 HydrophobicContact CD1-CD1 3.94Å; I283-L497 HydrophobicContact CG1-CB 4.28Å; I283-L497 HydrophobicContact CG1-CD1 4.06Å; I283-L497 HydrophobicContact CG2-CB 4.48Å; I283-H498 WeakPolarHBondContact O-CB 3.4Å; I283-H498 PolarHBondContact O-ND1 2.8Å
284	L	98.8	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-86.5	-20.2	-167.1	-63.8	167.9	0	0	0	113.2	L280 L281 F310 I311 W312 F334 F396 F398	L280-L284 HydrophobicContact CB-CD1 4.34Å; L280-L284 HydrophobicContact CD1-CD1 4.31Å; L280-L284 WeakPolarHBondContact O-CB 3.32Å; L280-L284 WeakPolarHBondContact O-CD1 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.06Å; L281-L284 PolarHBondContact O-N 3.43Å; L284-F310 HydrophobicContact CB-CD1 3.89Å; L284-F310 HydrophobicContact CB-CE1 4.43Å; L284-F310 CarbonylContact O-C 3.58Å; L284-F310 WeakPolarHBondContact O-CA 3.17Å; L284-I311 HydrophobicContact CD2-CG2 4.11Å; L284-I311 WeakPolarHBondContact O-CB 3.43Å; L284-I311 PolarHBondContact O-N 3.49Å; L284-W312 HydrophobicContact CB-CZ3 4.21Å; L284-W312 HydrophobicContact CD1-CH2 3.95Å; L284-W312 HydrophobicContact CD1-CZ3 3.48Å; L284-W312 VanDerWaalsContact CD1-CZ3 3.48Å; L284-W312 HydrophobicContact CD2-CE3 3.81Å; L284-W312 HydrophobicContact CD2-CZ3 3.53Å; L284-W312 HydrophobicContact CG-CZ3 3.92Å; L284-F334 HydrophobicContact CD1-CE2 4.34Å; L284-F334 HydrophobicContact CD1-CZ 3.96Å; L284-F396 HydrophobicContact CD2-CZ 4.16Å; L284-F398 HydrophobicContact CD2-CD2 3.57Å; L284-F398 HydrophobicContact CD2-CE2 3.68Å; L284-F398 HydrophobicContact CD2-CG 4.09Å; L284-F398 HydrophobicContact CD2-CZ 4.32Å; L284-F398 HydrophobicContact CG-CE2 4.27Å; L284-F398 HydrophobicContact CG-CZ 4.5Å
285	T	98.6	Very high	95.1	Very high	9 Å²	9	26 Å²	26	6%	0.055	14%	0.139	C	C	.	.	H	α-helix	trans	-127.7	-12.7	-177.6	74.2	0	0	0	0	113.2	L281 K287 L292 F310 H498	L281-T285 HydrophobicContact CD2-CG2 4.33Å; L281-T285 WeakPolarHBondContact O-CA 3.42Å; L281-T285 WeakPolarHBondContact O-CB 3.27Å; L281-T285 PolarHBondContact O-N 2.88Å; L281-T285 PolarHBondContact O-OG1 3.3Å; T285-K287 PolarHBondContact O-N 3.05Å; T285-K287 WeakPolarHBondContact OG1-CB 3.1Å; T285-K287 PolarHBondContact OG1-N 2.71Å; T285-K287 PolarHBondContact OG1-O 3.44Å; T285-L292 HydrophobicContact CG2-CD1 4.33Å; T285-F310 HydrophobicContact CG2-CD1 3.71Å; T285-F310 HydrophobicContact CG2-CE1 4.08Å; T285-F310 HydrophobicContact CG2-CG 4.36Å; T285-H498 VanDerWaalsContact C-CE1 3.41Å
286	G	98.1	Very high	95.5	Very high	11 Å²	11	27.2 Å²	27.2	11%	0.113	14%	0.142	C	C	.	.	S	Bend	trans	70.6	10.8	-173.1	0	0	0	0	0	113.6	S282 F495 H498 R518	S282-G286 WeakPolarHBondContact O-CA 3.15Å; S282-G286 PolarHBondContact O-N 2.72Å; G286-F495 WeakPolarHBondContact O-CD1 2.97Å; G286-H498 VanDerWaalsContact CA-CD2 3.42Å; G286-H498 WeakPolarHBondContact CA-CD2 3.41Å; G286-H498 VanDerWaalsContact CA-CG 3.42Å; G286-H498 PolarHBondContact N-CE1 3Å; G286-H498 PolarHBondContact N-ND1 3.31Å; G286-R518 PolarHBondContact O-NE 3.06Å; G286-R518 PolarHBondContact O-NH2 3.41Å
287	K	97.4	Very high	95.4	Very high	77 Å²	77	31.3 Å²	31.3	34%	0.335	16%	0.158	S	C	.	.	S	Bend	trans	-128.8	152.7	-172.1	-67.7	174.2	171.3	-71.9	0	112.2	L281 T285 E291 L292 P309	L281-K287 CarbonylContact C-O 3.57Å; T285-K287 PolarHBondContact O-N 3.05Å; T285-K287 WeakPolarHBondContact OG1-CB 3.1Å; T285-K287 PolarHBondContact OG1-N 2.71Å; T285-K287 PolarHBondContact OG1-O 3.44Å; K287-E291 VanDerWaalsContact CA-OE2 3.25Å; K287-E291 WeakPolarHBondContact CA-OE2 3.49Å; K287-E291 HydrophobicContact CB-CB 4.12Å; K287-E291 WeakPolarHBondContact CB-OE2 3.42Å; K287-E291 HydrophobicContact CG-CB 4.47Å; K287-L292 HydrophobicContact CB-CD1 4.39Å; K287-L292 HydrophobicContact CB-CD2 4.07Å; K287-L292 HydrophobicContact CB-CG 4.01Å; K287-L292 HydrophobicContact CD-CD2 3.58Å; K287-L292 HydrophobicContact CD-CG 4.31Å; K287-L292 HydrophobicContact CG-CD2 4.47Å; K287-P309 HydrophobicContact CD-CG 4.24Å
288	T	92.1	Very high	95.3	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.233	18%	0.179	C	C	.	.			trans	-75.2	167.9	165.8	77.1	0	0	0	0	110	E290 E291 L292 F495	T288-E290 VanDerWaalsContact C-N 3.31Å; T288-E290 VanDerWaalsContact CB-OE2 3.28Å; T288-E290 WeakPolarHBondContact CB-OE2 3.49Å; T288-E290 PolarHBondContact O-N 3.01Å; T288-E290 PolarHBondContact OG1-N 2.78Å; T288-E290 PolarHBondContact OG1-OE2 3.18Å; T288-E291 PolarHBondContact N-OE2 3.06Å; T288-E291 PolarHBondContact O-N 3.38Å; T288-E291 WeakPolarHBondContact OG1-CG 3.46Å; T288-E291 PolarHBondContact OG1-N 2.83Å; T288-L292 WeakPolarHBondContact O-CG 3.36Å; T288-F495 HydrophobicContact CG2-CE1 4.5Å; T288-F495 HydrophobicContact CG2-CZ 3.8Å
289	E	89.7	Confident	95.2	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.042	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.7	-35.9	176.3	-171.8	175.7	137.8	0	0	112.9	L281 E291 L292 R337 R611	L281-E289 HydrophobicContact CD1-CB 3.86Å; L281-E289 HydrophobicContact CD1-CG 4.11Å; E289-E291 PolarHBondContact O-N 3.29Å; E289-L292 WeakPolarHBondContact O-CB 3.3Å; E289-L292 PolarHBondContact O-N 3.38Å; E289-L292 VanDerWaalsContact O-N 3.09Å; E289-R337 IonicContact OE1-CZ 2.67Å; E289-R337 IonicContact OE1-NH1 3.77Å; E289-R337 PolarHBondContact OE1-NH1 2.66Å; E289-R337 IonicContact OE1-NH2 2.76Å; E289-R337 IonicContact OE2-CZ 2.96Å; E289-R337 IonicContact OE2-NH1 2.82Å; E289-R337 PolarHBondContact OE2-NH1 3.39Å; E289-R337 IonicContact OE2-NH2 3.17Å; E289-R337 PolarHBondContact OE2-NH2 2.96Å; E289-R611 IonicContact OE1-CZ 3.92Å; E289-R611 IonicContact OE1-NE 3.58Å; E289-R611 IonicContact OE1-NH2 3.74Å; E289-R611 PolarHBondContact OE1-NH2 3.3Å
290	E	89	Confident	94.8	Very high	114 Å²	114	47.5 Å²	47.5	53%	0.533	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-67.3	-22.4	178.9	-59.2	77.1	-168.3	0	0	112.9	T288 L292	T288-E290 VanDerWaalsContact C-N 3.31Å; T288-E290 VanDerWaalsContact CB-OE2 3.28Å; T288-E290 WeakPolarHBondContact CB-OE2 3.49Å; T288-E290 PolarHBondContact O-N 3.01Å; T288-E290 PolarHBondContact OG1-N 2.78Å; T288-E290 PolarHBondContact OG1-OE2 3.18Å; E290-L292 VanDerWaalsContact C-N 3.31Å
291	E	94.8	Very high	94.5	Very high	85 Å²	85	54.8 Å²	54.8	40%	0.397	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-86.2	-5.4	175.4	-65.4	179.8	134.5	0	0	113.2	K287 T288 E289 R518	K287-E291 VanDerWaalsContact CA-OE2 3.25Å; K287-E291 WeakPolarHBondContact CA-OE2 3.49Å; K287-E291 HydrophobicContact CB-CB 4.12Å; K287-E291 WeakPolarHBondContact CB-OE2 3.42Å; K287-E291 HydrophobicContact CG-CB 4.47Å; T288-E291 PolarHBondContact N-OE2 3.06Å; T288-E291 PolarHBondContact O-N 3.38Å; T288-E291 WeakPolarHBondContact OG1-CG 3.46Å; T288-E291 PolarHBondContact OG1-N 2.83Å; E289-E291 PolarHBondContact O-N 3.29Å; E291-R518 VanDerWaalsContact CD-NH1 3.3Å; E291-R518 IonicContact OE1-CZ 3.72Å; E291-R518 IonicContact OE1-NH1 2.72Å; E291-R518 PolarHBondContact OE1-NH1 3.41Å; E291-R518 IonicContact OE1-NH2 3.53Å; E291-R518 PolarHBondContact OE1-NH2 3.3Å; E291-R518 IonicContact OE2-CZ 3.29Å; E291-R518 VanDerWaalsContact OE2-CZ 3.3Å; E291-R518 IonicContact OE2-NH1 3.85Å; E291-R518 PolarHBondContact OE2-NH1 2.97Å; E291-R518 IonicContact OE2-NH2 3.07Å; E291-R518 PolarHBondContact OE2-NH2 3.02Å
292	L	96.7	Very high	94.4	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	27%	0.272	C	S	.	.	S	Bend	trans	-105.4	158.5	-179.1	-67.5	169.8	0	0	0	110.5	L281 T285 K287 T288 E289 E290 Y308 P309	L281-L292 HydrophobicContact CB-CD1 4.44Å; L281-L292 HydrophobicContact CD1-CD1 4.28Å; L281-L292 HydrophobicContact CD2-CD1 3.9Å; L281-L292 HydrophobicContact CG-CD1 4.45Å; T285-L292 HydrophobicContact CG2-CD1 4.33Å; K287-L292 HydrophobicContact CB-CD1 4.39Å; K287-L292 HydrophobicContact CB-CD2 4.07Å; K287-L292 HydrophobicContact CB-CG 4.01Å; K287-L292 HydrophobicContact CD-CD2 3.58Å; K287-L292 HydrophobicContact CD-CG 4.31Å; K287-L292 HydrophobicContact CG-CD2 4.47Å; T288-L292 WeakPolarHBondContact O-CG 3.36Å; E289-L292 WeakPolarHBondContact O-CB 3.3Å; E289-L292 PolarHBondContact O-N 3.38Å; E289-L292 VanDerWaalsContact O-N 3.09Å; E290-L292 VanDerWaalsContact C-N 3.31Å; L292-Y308 HydrophobicContact CB-CD1 3.93Å; L292-Y308 HydrophobicContact CB-CE1 3.56Å; L292-Y308 HydrophobicContact CD1-CD1 4.24Å; L292-Y308 HydrophobicContact CD1-CD2 4.03Å; L292-Y308 HydrophobicContact CD1-CE1 4.23Å; L292-Y308 HydrophobicContact CD1-CE2 4.02Å; L292-Y308 HydrophobicContact CD1-CG 4.12Å; L292-Y308 HydrophobicContact CD2-CD1 4.16Å; L292-Y308 HydrophobicContact CD2-CG 4.37Å; L292-Y308 HydrophobicContact CG-CD1 4.35Å; L292-Y308 HydrophobicContact CG-CE1 4.35Å; L292-P309 VanDerWaalsContact CD2-CD 3.46Å; L292-P309 HydrophobicContact CD2-CG 4.1Å
293	P	96.1	Very high	94.3	Very high	62 Å²	62	57.7 Å²	57.7	40%	0.403	29%	0.289	S	S	.	.			trans	-55.9	149.8	174.9	-25.9	35.4	0	0	0	112.5	T295 V307 Y308	P293-T295 PolarHBondContact O-N 2.87Å; P293-V307 HydrophobicContact CB-CG2 3.66Å; P293-V307 HydrophobicContact CG-CB 4.36Å; P293-V307 HydrophobicContact CG-CG2 3.81Å; P293-Y308 VanDerWaalsContact O-CE1 3.32Å; P293-Y308 WeakPolarHBondContact O-CE1 3.47Å; P293-Y308 PolarHBondContact O-OH 3.08Å
294	E	95.3	Very high	94.2	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.28	31%	0.307	S	S	.	.			trans	-67.2	123.8	-179.7	-177.6	56	-100.2	0	0	111.7	R296 Q299 A302 S303 R611	E294-R296 VanDerWaalsContact CD-NE 3.34Å; E294-R296 WeakPolarHBondContact OE1-CB 3.42Å; E294-R296 WeakPolarHBondContact OE1-CG 3.34Å; E294-R296 IonicContact OE1-CZ 3.35Å; E294-R296 PolarHBondContact OE1-N 2.88Å; E294-R296 IonicContact OE1-NE 3.87Å; E294-R296 PolarHBondContact OE1-NE 3.29Å; E294-R296 IonicContact OE1-NH2 3.32Å; E294-R296 IonicContact OE2-CZ 2.66Å; E294-R296 VanDerWaalsContact OE2-CZ 3.29Å; E294-R296 IonicContact OE2-NE 3.12Å; E294-R296 PolarHBondContact OE2-NE 3.37Å; E294-R296 VanDerWaalsContact OE2-NE 3.07Å; E294-R296 IonicContact OE2-NH2 3.16Å; E294-R296 PolarHBondContact OE2-NH2 3.34Å; E294-Q299 HydrophobicContact CG-CB 3.74Å; E294-Q299 HydrophobicContact CG-CG 3.76Å; E294-A302 HydrophobicContact CG-CB 4.13Å; E294-A302 CarbonylContact O-C 3.21Å; E294-A302 VanDerWaalsContact O-CA 3.24Å; E294-A302 WeakPolarHBondContact O-CA 3.18Å; E294-A302 WeakPolarHBondContact O-CB 3.49Å; E294-S303 PolarHBondContact O-N 3.26Å; E294-R611 IonicContact OE1-NH2 2.65Å; E294-R611 IonicContact OE2-NH1 2.69Å; E294-R611 IonicContact OE2-NH2 2.87Å
295	T	96.4	Very high	94.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.			trans	-131.6	5.9	-178	64.4	0	0	0	0	113.9	P293 S303 V305 V307 Y308 L338 K339	P293-T295 PolarHBondContact O-N 2.87Å; T295-S303 VanDerWaalsContact CA-O 3.27Å; T295-S303 WeakPolarHBondContact CA-O 3.23Å; T295-S303 WeakPolarHBondContact CB-O 3.42Å; T295-S303 WeakPolarHBondContact CG2-O 3.35Å; T295-V305 HydrophobicContact CG2-CG1 4.25Å; T295-V307 HydrophobicContact CG2-CG2 4.09Å; T295-Y308 HydrophobicContact CG2-CD1 4.33Å; T295-Y308 HydrophobicContact CG2-CE1 3.45Å; T295-Y308 VanDerWaalsContact CG2-CE1 3.45Å; T295-Y308 PolarHBondContact OG1-OH 2.83Å; T295-L338 CarbonylContact O-C 3.56Å; T295-L338 WeakPolarHBondContact O-CA 3.46Å; T295-K339 WeakPolarHBondContact O-CG 3.41Å; T295-K339 PolarHBondContact O-N 3.3Å
296	R	93.7	Very high	94.1	Very high	32 Å²	32	63.3 Å²	63.3	12%	0.121	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-65.7	140.9	177.7	-68.6	177	-67.6	167.2	-3.4	111.7	E294 S298 Q299 A302 R337 L338 D609	E294-R296 VanDerWaalsContact CD-NE 3.34Å; E294-R296 WeakPolarHBondContact OE1-CB 3.42Å; E294-R296 WeakPolarHBondContact OE1-CG 3.34Å; E294-R296 IonicContact OE1-CZ 3.35Å; E294-R296 PolarHBondContact OE1-N 2.88Å; E294-R296 IonicContact OE1-NE 3.87Å; E294-R296 PolarHBondContact OE1-NE 3.29Å; E294-R296 IonicContact OE1-NH2 3.32Å; E294-R296 IonicContact OE2-CZ 2.66Å; E294-R296 VanDerWaalsContact OE2-CZ 3.29Å; E294-R296 IonicContact OE2-NE 3.12Å; E294-R296 PolarHBondContact OE2-NE 3.37Å; E294-R296 VanDerWaalsContact OE2-NE 3.07Å; E294-R296 IonicContact OE2-NH2 3.16Å; E294-R296 PolarHBondContact OE2-NH2 3.34Å; R296-S298 PolarHBondContact O-N 3.47Å; R296-Q299 HydrophobicContact CB-CG 4.03Å; R296-Q299 PolarHBondContact O-N 2.89Å; R296-Q299 VanDerWaalsContact O-N 3.16Å; R296-A302 VanDerWaalsContact O-CB 3.24Å; R296-A302 WeakPolarHBondContact O-CB 3.38Å; R296-R337 WeakPolarHBondContact CA-O 3.46Å; R296-L338 HydrophobicContact CB-CD2 4.4Å; R296-L338 HydrophobicContact CG-CD2 3.69Å; R296-D609 WeakPolarHBondContact CD-OD1 3.46Å; R296-D609 WeakPolarHBondContact CD-OD2 3.32Å; R296-D609 IonicContact CZ-OD2 3.01Å; R296-D609 IonicContact NE-OD2 2.73Å; R296-D609 IonicContact NH1-OD2 2.8Å; R296-D609 PolarHBondContact NH1-OD2 2.99Å
297	K	92.7	Very high	94.1	Very high	99 Å²	99	66.1 Å²	66.1	43%	0.43	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.5	175.3	-66	178.2	-175.2	169.6	0	112.6	Q299 T335 Y336 R337 L338 K339	K297-Q299 PolarHBondContact O-N 3.43Å; K297-T335 WeakPolarHBondContact CE-O 3.44Å; K297-T335 PolarHBondContact NZ-O 2.75Å; K297-Y336 WeakPolarHBondContact CE-O 3.21Å; K297-Y336 PolarHBondContact NZ-O 2.91Å; K297-R337 PolarHBondContact N-O 3.35Å; K297-L338 WeakPolarHBondContact CE-O 3.4Å; K297-K339 HydrophobicContact CG-CG 4.22Å
298	S	89.5	Confident	94.2	Very high	77 Å²	77	62.5 Å²	62.5	54%	0.538	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.8	179	58	0	0	0	0	113.4	R296	R296-S298 PolarHBondContact O-N 3.47Å
299	Q	91	Very high	94.5	Very high	74 Å²	74	64 Å²	64	35%	0.346	32%	0.324	S	S	.	.	S	Bend	trans	-101.4	116.6	-176.3	-60.1	-61	-31.6	0	0	110.7	E294 R296 K297 N301 A302	E294-Q299 HydrophobicContact CG-CB 3.74Å; E294-Q299 HydrophobicContact CG-CG 3.76Å; R296-Q299 HydrophobicContact CB-CG 4.03Å; R296-Q299 PolarHBondContact O-N 2.89Å; R296-Q299 VanDerWaalsContact O-N 3.16Å; K297-Q299 PolarHBondContact O-N 3.43Å; Q299-N301 VanDerWaalsContact C-N 3.3Å; Q299-N301 PolarHBondContact O-N 3.32Å; Q299-A302 HydrophobicContact CB-CB 3.95Å; Q299-A302 VanDerWaalsContact O-CB 3.27Å; Q299-A302 WeakPolarHBondContact O-CB 3.39Å; Q299-A302 PolarHBondContact O-N 3.44Å; Q299-A302 VanDerWaalsContact O-N 3.13Å
300	R	87.6	Confident	94.9	Very high	231 Å²	231	63.7 Å²	63.7	87%	0.872	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-42	-172.6	-171.1	175.4	-179.6	175.7	0.1	113.3
301	N	92.3	Very high	95.3	Very high	154 Å²	154	58.3 Å²	58.3	82%	0.824	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	17.9	-176.2	-62.8	-18.2	0	0	0	113.6	Q299	Q299-N301 VanDerWaalsContact C-N 3.3Å; Q299-N301 PolarHBondContact O-N 3.32Å
302	A	95.3	Very high	95.5	Very high	11 Å²	11	54.4 Å²	54.4	9%	0.091	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.7	149.4	176.6	0	0	0	0	0	112.7	E294 R296 Q299 K339	E294-A302 HydrophobicContact CG-CB 4.13Å; E294-A302 CarbonylContact O-C 3.21Å; E294-A302 VanDerWaalsContact O-CA 3.24Å; E294-A302 WeakPolarHBondContact O-CA 3.18Å; E294-A302 WeakPolarHBondContact O-CB 3.49Å; R296-A302 VanDerWaalsContact O-CB 3.24Å; R296-A302 WeakPolarHBondContact O-CB 3.38Å; Q299-A302 HydrophobicContact CB-CB 3.95Å; Q299-A302 VanDerWaalsContact O-CB 3.27Å; Q299-A302 WeakPolarHBondContact O-CB 3.39Å; Q299-A302 PolarHBondContact O-N 3.44Å; Q299-A302 VanDerWaalsContact O-N 3.13Å; A302-K339 HydrophobicContact CB-CD 4.06Å; A302-K339 PolarHBondContact O-NZ 3.12Å
303	S	96.9	Very high	95.5	Very high	51 Å²	51	57.5 Å²	57.5	36%	0.357	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-86.3	168.5	171	-63.2	0	0	0	0	111.6	E294 T295 K339	E294-S303 PolarHBondContact O-N 3.26Å; T295-S303 VanDerWaalsContact CA-O 3.27Å; T295-S303 WeakPolarHBondContact CA-O 3.23Å; T295-S303 WeakPolarHBondContact CB-O 3.42Å; T295-S303 WeakPolarHBondContact CG2-O 3.35Å; S303-K339 WeakPolarHBondContact O-CD 3.36Å
304	F	97.4	Very high	95.4	Very high	87 Å²	87	57.2 Å²	57.2	38%	0.382	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-72.1	159.6	162.2	-67.4	-92	0	0	0	110	D306 V307 K339 G340 K342	F304-D306 WeakPolarHBondContact CB-OD2 3.4Å; F304-D306 PolarHBondContact O-N 2.85Å; F304-D306 VanDerWaalsContact O-N 3.07Å; F304-V307 WeakPolarHBondContact O-CG2 3.25Å; F304-V307 PolarHBondContact O-N 2.84Å; F304-K339 HydrophobicContact CD1-CB 4.04Å; F304-K339 VanDerWaalsContact CD1-O 3.31Å; F304-K339 WeakPolarHBondContact CD1-O 3.37Å; F304-K339 HydrophobicContact CE1-CB 4.47Å; F304-K339 HydrophobicContact CG-CB 4.5Å; F304-G340 WeakPolarHBondContact CB-O 3.36Å; F304-K342 HydrophobicContact CB-CB 4.06Å; F304-K342 HydrophobicContact CD1-CB 3.94Å; F304-K342 HydrophobicContact CD2-CB 4.04Å; F304-K342 HydrophobicContact CD2-CD 4.11Å; F304-K342 HydrophobicContact CD2-CG 4.5Å; F304-K342 HydrophobicContact CE1-CB 4.38Å; F304-K342 HydrophobicContact CE2-CB 4.47Å; F304-K342 HydrophobicContact CE2-CD 4.12Å; F304-K342 HydrophobicContact CG-CB 3.75Å
305	V	97.5	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.4	-8.6	-175.3	-52.3	0	0	0	0	113.2	T295 V307 Y308 F310 F334 L338 G340 F341	T295-V305 HydrophobicContact CG2-CG1 4.25Å; V305-V307 PolarHBondContact O-N 3.4Å; V305-Y308 HydrophobicContact CB-CD2 4.16Å; V305-Y308 HydrophobicContact CB-CE2 4.21Å; V305-Y308 HydrophobicContact CG1-CE2 4.31Å; V305-Y308 WeakPolarHBondContact O-CB 3.34Å; V305-Y308 PolarHBondContact O-N 2.94Å; V305-F310 HydrophobicContact CG2-CE2 4.44Å; V305-F310 WeakPolarHBondContact O-CE2 3.21Å; V305-F334 HydrophobicContact CG1-CB 4.46Å; V305-F334 HydrophobicContact CG2-CB 4.31Å; V305-L338 HydrophobicContact CG1-CB 3.93Å; V305-L338 HydrophobicContact CG1-CD1 4.13Å; V305-G340 VanDerWaalsContact CG2-C 3.44Å; V305-G340 WeakPolarHBondContact CG2-O 3.47Å; V305-G340 PolarHBondContact N-O 3.35Å; V305-F341 HydrophobicContact CG2-CB 4.35Å; V305-F341 HydrophobicContact CG2-CD1 3.34Å; V305-F341 HydrophobicContact CG2-CD2 3.84Å; V305-F341 HydrophobicContact CG2-CE1 3.41Å; V305-F341 VanDerWaalsContact CG2-CE1 3.41Å; V305-F341 HydrophobicContact CG2-CE2 3.86Å; V305-F341 HydrophobicContact CG2-CG 3.57Å; V305-F341 HydrophobicContact CG2-CZ 3.66Å
306	D	97.7	Very high	95.3	Very high	40 Å²	40	59 Å²	59	21%	0.214	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-50.7	-24.3	171.1	-54.3	-113.9	0	0	0	113.6	F304 Y308 K313 F341 K342 E343	F304-D306 WeakPolarHBondContact CB-OD2 3.4Å; F304-D306 PolarHBondContact O-N 2.85Å; F304-D306 VanDerWaalsContact O-N 3.07Å; D306-Y308 VanDerWaalsContact C-N 3.25Å; D306-Y308 PolarHBondContact O-N 2.88Å; D306-K313 PolarHBondContact O-NZ 2.66Å; D306-F341 WeakPolarHBondContact OD2-CA 3.49Å; D306-K342 PolarHBondContact OD1-N 3.06Å; D306-K342 PolarHBondContact OD2-N 3.31Å; D306-E343 PolarHBondContact OD1-N 2.77Å
307	V	97.9	Very high	95.2	Very high	70 Å²	70	63 Å²	63	42%	0.424	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-75.2	-11.4	178.2	-59.3	0	0	0	0	113.7	P293 T295 F304 V305	P293-V307 HydrophobicContact CB-CG2 3.66Å; P293-V307 HydrophobicContact CG-CB 4.36Å; P293-V307 HydrophobicContact CG-CG2 3.81Å; T295-V307 HydrophobicContact CG2-CG2 4.09Å; F304-V307 WeakPolarHBondContact O-CG2 3.25Å; F304-V307 PolarHBondContact O-N 2.84Å; V305-V307 PolarHBondContact O-N 3.4Å
308	Y	98.5	Very high	95.2	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	30%	0.297	C	S	.	.	S	Bend	trans	-74.1	144.6	-178.9	-66.3	-6.1	0	0	0	112.1	L281 L292 P293 T295 V305 D306 F310 K313	L281-Y308 HydrophobicContact CD1-CE2 4.4Å; L281-Y308 HydrophobicContact CD2-CD2 3.58Å; L281-Y308 HydrophobicContact CD2-CE2 3.57Å; L292-Y308 HydrophobicContact CB-CD1 3.93Å; L292-Y308 HydrophobicContact CB-CE1 3.56Å; L292-Y308 HydrophobicContact CD1-CD1 4.24Å; L292-Y308 HydrophobicContact CD1-CD2 4.03Å; L292-Y308 HydrophobicContact CD1-CE1 4.23Å; L292-Y308 HydrophobicContact CD1-CE2 4.02Å; L292-Y308 HydrophobicContact CD1-CG 4.12Å; L292-Y308 HydrophobicContact CD2-CD1 4.16Å; L292-Y308 HydrophobicContact CD2-CG 4.37Å; L292-Y308 HydrophobicContact CG-CD1 4.35Å; L292-Y308 HydrophobicContact CG-CE1 4.35Å; P293-Y308 VanDerWaalsContact O-CE1 3.32Å; P293-Y308 WeakPolarHBondContact O-CE1 3.47Å; P293-Y308 PolarHBondContact O-OH 3.08Å; T295-Y308 HydrophobicContact CG2-CD1 4.33Å; T295-Y308 HydrophobicContact CG2-CE1 3.45Å; T295-Y308 VanDerWaalsContact CG2-CE1 3.45Å; T295-Y308 PolarHBondContact OG1-OH 2.83Å; V305-Y308 HydrophobicContact CB-CD2 4.16Å; V305-Y308 HydrophobicContact CB-CE2 4.21Å; V305-Y308 HydrophobicContact CG1-CE2 4.31Å; V305-Y308 WeakPolarHBondContact O-CB 3.34Å; V305-Y308 PolarHBondContact O-N 2.94Å; D306-Y308 VanDerWaalsContact C-N 3.25Å; D306-Y308 PolarHBondContact O-N 2.88Å; Y308-F310 HydrophobicContact CD2-CE1 4.23Å; Y308-F310 HydrophobicContact CD2-CE2 4.04Å; Y308-F310 AromaticContact CD2-CZ 3.62Å; Y308-F310 HydrophobicContact CD2-CZ 3.62Å; Y308-F310 HydrophobicContact CG-CE2 4.21Å; Y308-F310 HydrophobicContact CG-CZ 4.22Å; Y308-F310 PolarHBondContact O-N 3.38Å; Y308-K313 PolarHBondContact O-NZ 2.93Å
309	P	98	Very high	95.4	Very high	69 Å²	69	56.1 Å²	56.1	45%	0.448	27%	0.274	S	S	.	.			trans	-83.6	60.1	179	36.5	-35.2	0	0	0	110.7	K287 L292	K287-P309 HydrophobicContact CD-CG 4.24Å; L292-P309 VanDerWaalsContact CD2-CD 3.46Å; L292-P309 HydrophobicContact CD2-CG 4.1Å
310	F	98.7	Very high	95.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	26%	0.258	C	S	.	.			trans	-61.1	137.6	179.1	-66.5	-72	0	0	0	112.2	L281 L284 T285 V305 Y308 W312 K313 F334 F341	L281-F310 HydrophobicContact CD2-CE1 4.18Å; L284-F310 HydrophobicContact CB-CD1 3.89Å; L284-F310 HydrophobicContact CB-CE1 4.43Å; L284-F310 CarbonylContact O-C 3.58Å; L284-F310 WeakPolarHBondContact O-CA 3.17Å; T285-F310 HydrophobicContact CG2-CD1 3.71Å; T285-F310 HydrophobicContact CG2-CE1 4.08Å; T285-F310 HydrophobicContact CG2-CG 4.36Å; V305-F310 HydrophobicContact CG2-CE2 4.44Å; V305-F310 WeakPolarHBondContact O-CE2 3.21Å; Y308-F310 HydrophobicContact CD2-CE1 4.23Å; Y308-F310 HydrophobicContact CD2-CE2 4.04Å; Y308-F310 AromaticContact CD2-CZ 3.62Å; Y308-F310 HydrophobicContact CD2-CZ 3.62Å; Y308-F310 HydrophobicContact CG-CE2 4.21Å; Y308-F310 HydrophobicContact CG-CZ 4.22Å; Y308-F310 PolarHBondContact O-N 3.38Å; F310-W312 HydrophobicContact CB-CD2 3.59Å; F310-W312 HydrophobicContact CB-CE3 4.11Å; F310-W312 HydrophobicContact CB-CG 4.14Å; F310-W312 HydrophobicContact CB-CH2 3.98Å; F310-W312 HydrophobicContact CB-CZ2 3.43Å; F310-W312 VanDerWaalsContact CB-CZ2 3.43Å; F310-W312 HydrophobicContact CB-CZ3 4.3Å; F310-W312 AromaticContact CD1-CH2 3.28Å; F310-W312 HydrophobicContact CD1-CH2 3.28Å; F310-W312 AromaticContact CD1-CZ2 3.42Å; F310-W312 HydrophobicContact CD1-CZ2 3.42Å; F310-W312 VanDerWaalsContact CD1-CZ2 3.42Å; F310-W312 AromaticContact CD1-CZ3 3.91Å; F310-W312 HydrophobicContact CD1-CZ3 3.91Å; F310-W312 AromaticContact CD2-CE2 3.92Å; F310-W312 HydrophobicContact CD2-CH2 4.13Å; F310-W312 AromaticContact CD2-CZ2 3.39Å; F310-W312 HydrophobicContact CD2-CZ2 3.39Å; F310-W312 AromaticContact CE1-CH2 3.59Å; F310-W312 HydrophobicContact CE1-CH2 3.59Å; F310-W312 AromaticContact CE1-CZ2 3.88Å; F310-W312 HydrophobicContact CE1-CZ2 3.88Å; F310-W312 HydrophobicContact CE1-CZ3 4.48Å; F310-W312 HydrophobicContact CE2-CH2 4.38Å; F310-W312 AromaticContact CE2-CZ2 3.86Å; F310-W312 HydrophobicContact CE2-CZ2 3.86Å; F310-W312 HydrophobicContact CG-CD2 4.25Å; F310-W312 AromaticContact CG-CE2 3.53Å; F310-W312 AromaticContact CG-CH2 3.56Å; F310-W312 HydrophobicContact CG-CH2 3.56Å; F310-W312 AromaticContact CG-CZ2 3.13Å; F310-W312 HydrophobicContact CG-CZ2 3.13Å; F310-W312 HydrophobicContact CG-CZ3 4.28Å; F310-W312 HydrophobicContact CZ-CH2 4.13Å; F310-W312 HydrophobicContact CZ-CZ2 4.07Å; F310-W312 PolarHBondContact O-N 3.3Å; F310-K313 HydrophobicContact CB-CG 4.5Å; F310-K313 VanDerWaalsContact O-CB 3.29Å; F310-K313 WeakPolarHBondContact O-CB 3.17Å; F310-K313 PolarHBondContact O-N 3.21Å; F310-F334 HydrophobicContact CE1-CE1 4.11Å; F310-F334 HydrophobicContact CE1-CE2 4.37Å; F310-F334 AromaticContact CE1-CZ 3.86Å; F310-F334 HydrophobicContact CE1-CZ 3.86Å; F310-F334 HydrophobicContact CZ-CD1 4.49Å; F310-F334 HydrophobicContact CZ-CE1 4.23Å; F310-F334 HydrophobicContact CZ-CZ 4.24Å; F310-F341 HydrophobicContact CD2-CE1 4.03Å; F310-F341 HydrophobicContact CD2-CZ 4.45Å; F310-F341 AromaticContact CE2-CE1 3.35Å; F310-F341 HydrophobicContact CE2-CE1 3.35Å; F310-F341 AromaticContact CE2-CZ 3.64Å; F310-F341 HydrophobicContact CE2-CZ 3.64Å; F310-F341 AromaticContact CZ-CE1 3.93Å; F310-F341 HydrophobicContact CZ-CE1 3.93Å; F310-F341 AromaticContact CZ-CZ 3.72Å; F310-F341 HydrophobicContact CZ-CZ 3.72Å
311	I	98.5	Very high	96	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-31.3	-173.9	-168.9	62.5	0	0	0	112	L284 K313 E314 L315 F396 L501 K502	L284-I311 HydrophobicContact CD2-CG2 4.11Å; L284-I311 WeakPolarHBondContact O-CB 3.43Å; L284-I311 PolarHBondContact O-N 3.49Å; I311-K313 PolarHBondContact O-N 3.34Å; I311-E314 HydrophobicContact CD1-CB 4.49Å; I311-E314 WeakPolarHBondContact O-CB 3.32Å; I311-E314 PolarHBondContact O-N 2.88Å; I311-E314 VanDerWaalsContact O-N 3.08Å; I311-L315 HydrophobicContact CG1-CD1 4.23Å; I311-L315 HydrophobicContact CG1-CG 4.25Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.22Å; I311-F396 HydrophobicContact CG2-CE2 4.35Å; I311-F396 HydrophobicContact CG2-CZ 4.08Å; I311-L501 HydrophobicContact CG1-CB 4.49Å; I311-L501 HydrophobicContact CG1-CD1 4.36Å; I311-L501 HydrophobicContact CG2-CD1 4.27Å; I311-K502 HydrophobicContact CD1-CD 3.58Å; I311-K502 HydrophobicContact CD1-CG 4.25Å
312	W	97.4	Very high	96.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-27.8	175.8	56.3	76.4	0	0	0	113	L284 F310 E314 L315 K316 T322 F341 P345 T346 F396	L284-W312 HydrophobicContact CB-CZ3 4.21Å; L284-W312 HydrophobicContact CD1-CH2 3.95Å; L284-W312 HydrophobicContact CD1-CZ3 3.48Å; L284-W312 VanDerWaalsContact CD1-CZ3 3.48Å; L284-W312 HydrophobicContact CD2-CE3 3.81Å; L284-W312 HydrophobicContact CD2-CZ3 3.53Å; L284-W312 HydrophobicContact CG-CZ3 3.92Å; F310-W312 HydrophobicContact CB-CD2 3.59Å; F310-W312 HydrophobicContact CB-CE3 4.11Å; F310-W312 HydrophobicContact CB-CG 4.14Å; F310-W312 HydrophobicContact CB-CH2 3.98Å; F310-W312 HydrophobicContact CB-CZ2 3.43Å; F310-W312 VanDerWaalsContact CB-CZ2 3.43Å; F310-W312 HydrophobicContact CB-CZ3 4.3Å; F310-W312 AromaticContact CD1-CH2 3.28Å; F310-W312 HydrophobicContact CD1-CH2 3.28Å; F310-W312 AromaticContact CD1-CZ2 3.42Å; F310-W312 HydrophobicContact CD1-CZ2 3.42Å; F310-W312 VanDerWaalsContact CD1-CZ2 3.42Å; F310-W312 AromaticContact CD1-CZ3 3.91Å; F310-W312 HydrophobicContact CD1-CZ3 3.91Å; F310-W312 AromaticContact CD2-CE2 3.92Å; F310-W312 HydrophobicContact CD2-CH2 4.13Å; F310-W312 AromaticContact CD2-CZ2 3.39Å; F310-W312 HydrophobicContact CD2-CZ2 3.39Å; F310-W312 AromaticContact CE1-CH2 3.59Å; F310-W312 HydrophobicContact CE1-CH2 3.59Å; F310-W312 AromaticContact CE1-CZ2 3.88Å; F310-W312 HydrophobicContact CE1-CZ2 3.88Å; F310-W312 HydrophobicContact CE1-CZ3 4.48Å; F310-W312 HydrophobicContact CE2-CH2 4.38Å; F310-W312 AromaticContact CE2-CZ2 3.86Å; F310-W312 HydrophobicContact CE2-CZ2 3.86Å; F310-W312 HydrophobicContact CG-CD2 4.25Å; F310-W312 AromaticContact CG-CE2 3.53Å; F310-W312 AromaticContact CG-CH2 3.56Å; F310-W312 HydrophobicContact CG-CH2 3.56Å; F310-W312 AromaticContact CG-CZ2 3.13Å; F310-W312 HydrophobicContact CG-CZ2 3.13Å; F310-W312 HydrophobicContact CG-CZ3 4.28Å; F310-W312 HydrophobicContact CZ-CH2 4.13Å; F310-W312 HydrophobicContact CZ-CZ2 4.07Å; F310-W312 PolarHBondContact O-N 3.3Å; W312-E314 VanDerWaalsContact C-N 3.33Å; W312-L315 PolarHBondContact O-N 2.83Å; W312-K316 WeakPolarHBondContact O-CB 3.45Å; W312-K316 PolarHBondContact O-N 3.07Å; W312-T322 HydrophobicContact CB-CG2 4.01Å; W312-F341 HydrophobicContact CH2-CZ 4.25Å; W312-F341 HydrophobicContact CZ2-CE1 4.12Å; W312-F341 AromaticContact CZ2-CZ 3.87Å; W312-F341 HydrophobicContact CZ2-CZ 3.87Å; W312-P345 VanDerWaalsContact CD1-O 3.25Å; W312-P345 HydrophobicContact CZ2-CB 4.1Å; W312-P345 PolarHBondContact NE1-O 3.17Å; W312-T346 HydrophobicContact CB-CG2 4.3Å; W312-T346 HydrophobicContact CD2-CG2 4.04Å; W312-T346 HydrophobicContact CG-CG2 3.9Å; W312-F396 HydrophobicContact CB-CD1 3.92Å; W312-F396 HydrophobicContact CB-CE1 3.88Å; W312-F396 HydrophobicContact CE3-CE1 4.01Å
313	K	96.4	Very high	96.4	Very high	83 Å²	83	34.2 Å²	34.2	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-66.7	-38.9	173.9	-62.7	178.5	175.4	175.7	0	111.3	D306 Y308 F310 I311	D306-K313 PolarHBondContact O-NZ 2.66Å; Y308-K313 PolarHBondContact O-NZ 2.93Å; F310-K313 HydrophobicContact CB-CG 4.5Å; F310-K313 VanDerWaalsContact O-CB 3.29Å; F310-K313 WeakPolarHBondContact O-CB 3.17Å; F310-K313 PolarHBondContact O-N 3.21Å; I311-K313 PolarHBondContact O-N 3.34Å
314	E	95.4	Very high	96.5	Very high	56 Å²	56	31.8 Å²	31.8	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-70.6	-47.8	174.6	-176.1	176.8	-175.2	0	0	110.7	I311 W312 K316 Q317 F318 K502 L505	I311-E314 HydrophobicContact CD1-CB 4.49Å; I311-E314 WeakPolarHBondContact O-CB 3.32Å; I311-E314 PolarHBondContact O-N 2.88Å; I311-E314 VanDerWaalsContact O-N 3.08Å; W312-E314 VanDerWaalsContact C-N 3.33Å; E314-K316 PolarHBondContact O-N 3.39Å; E314-Q317 VanDerWaalsContact O-CB 3.26Å; E314-Q317 WeakPolarHBondContact O-CB 3.28Å; E314-Q317 PolarHBondContact O-N 2.74Å; E314-F318 HydrophobicContact CG-CE2 4.18Å; E314-F318 WeakPolarHBondContact O-CD2 3.17Å; E314-K502 IonicContact OE1-NZ 3Å; E314-K502 PolarHBondContact OE1-NZ 3.04Å; E314-K502 WeakPolarHBondContact OE2-CD 3.38Å; E314-K502 IonicContact OE2-NZ 2.78Å; E314-K502 PolarHBondContact OE2-NZ 3.08Å; E314-L505 HydrophobicContact CG-CD1 4.32Å
315	L	95.6	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-35.5	178.1	-66.2	174.9	0	0	0	112.2	I233 I311 W312 Q317 F318 G319 Y320 F396 L505	I233-L315 HydrophobicContact CD1-CD1 4.1Å; I233-L315 HydrophobicContact CD1-CD2 4.19Å; I311-L315 HydrophobicContact CG1-CD1 4.23Å; I311-L315 HydrophobicContact CG1-CG 4.25Å; I311-L315 WeakPolarHBondContact O-CG 3.45Å; I311-L315 PolarHBondContact O-N 3.22Å; W312-L315 PolarHBondContact O-N 2.83Å; L315-Q317 PolarHBondContact O-N 3.14Å; L315-F318 CarbonylContact O-C 3.44Å; L315-F318 WeakPolarHBondContact O-CA 3.39Å; L315-F318 WeakPolarHBondContact O-CB 3.4Å; L315-F318 PolarHBondContact O-N 2.7Å; L315-G319 PolarHBondContact O-N 2.82Å; L315-Y320 HydrophobicContact CB-CD1 4.47Å; L315-Y320 HydrophobicContact CB-CD2 3.98Å; L315-Y320 HydrophobicContact CB-CG 3.89Å; L315-Y320 HydrophobicContact CD2-CD2 4.26Å; L315-Y320 HydrophobicContact CD2-CE2 4.04Å; L315-Y320 WeakPolarHBondContact O-CB 3.2Å; L315-Y320 WeakPolarHBondContact O-CD2 3.43Å; L315-Y320 PolarHBondContact O-N 3.15Å; L315-Y320 VanDerWaalsContact O-N 3.15Å; L315-F396 HydrophobicContact CD1-CB 3.89Å; L315-F396 HydrophobicContact CD1-CD1 4.34Å; L315-F396 HydrophobicContact CD1-CD2 3.24Å; L315-F396 HydrophobicContact CD1-CE2 3.81Å; L315-F396 HydrophobicContact CD1-CG 3.55Å; L315-L505 HydrophobicContact CD2-CD1 4.41Å; L315-L505 HydrophobicContact CD2-CD2 3.88Å
316	K	93.4	Very high	96.6	Very high	99 Å²	99	28.1 Å²	28.1	43%	0.43	14%	0.142	S	C	.	.	H	α-helix	trans	-58	-31.6	174.6	-165.3	166.7	-165.8	164.2	0	112.8	W312 E314 F318 G319 D347	W312-K316 WeakPolarHBondContact O-CB 3.45Å; W312-K316 PolarHBondContact O-N 3.07Å; E314-K316 PolarHBondContact O-N 3.39Å; K316-F318 PolarHBondContact O-N 2.76Å; K316-G319 PolarHBondContact O-N 2.82Å; K316-D347 WeakPolarHBondContact CE-OD1 3.31Å; K316-D347 IonicContact NZ-OD1 3.75Å; K316-D347 PolarHBondContact NZ-OD1 3.15Å; K316-D347 IonicContact NZ-OD2 3.92Å
317	Q	92.1	Very high	96.5	Very high	115 Å²	115	26.2 Å²	26.2	54%	0.537	13%	0.132	S	C	.	.	H	α-helix	trans	-70.9	-20.8	175.1	-55.3	174.7	14.3	0	0	112.9	N222 E314 L315 G319	N222-Q317 PolarHBondContact N-O 3.15Å; E314-Q317 VanDerWaalsContact O-CB 3.26Å; E314-Q317 WeakPolarHBondContact O-CB 3.28Å; E314-Q317 PolarHBondContact O-N 2.74Å; L315-Q317 PolarHBondContact O-N 3.14Å; Q317-G319 VanDerWaalsContact C-N 3.26Å
318	F	92.1	Very high	96.4	Very high	27 Å²	27	23.1 Å²	23.1	12%	0.118	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	15.7	171.2	-67.6	-91.4	0	0	0	112.1	N222 P223 V224 E314 L315 K316 Y320 L505	N222-F318 HydrophobicContact CB-CD1 3.73Å; N222-F318 HydrophobicContact CB-CE1 3.67Å; N222-F318 HydrophobicContact CB-CG 4.3Å; N222-F318 HydrophobicContact CB-CZ 4.19Å; N222-F318 VanDerWaalsContact O-CD1 3.3Å; N222-F318 WeakPolarHBondContact O-CD1 3.5Å; P223-F318 WeakPolarHBondContact O-CE1 3.31Å; V224-F318 HydrophobicContact CG1-CD1 3.6Å; V224-F318 HydrophobicContact CG1-CE1 4.07Å; V224-F318 HydrophobicContact CG1-CG 4.43Å; E314-F318 HydrophobicContact CG-CE2 4.18Å; E314-F318 WeakPolarHBondContact O-CD2 3.17Å; L315-F318 CarbonylContact O-C 3.44Å; L315-F318 WeakPolarHBondContact O-CA 3.39Å; L315-F318 WeakPolarHBondContact O-CB 3.4Å; L315-F318 PolarHBondContact O-N 2.7Å; K316-F318 PolarHBondContact O-N 2.76Å; F318-Y320 HydrophobicContact CB-CD2 3.92Å; F318-Y320 HydrophobicContact CB-CE2 3.98Å; F318-L505 HydrophobicContact CD1-CD2 4.17Å; F318-L505 HydrophobicContact CD2-CD1 4.12Å; F318-L505 HydrophobicContact CD2-CD2 3.92Å; F318-L505 HydrophobicContact CE1-CD2 4.37Å; F318-L505 HydrophobicContact CE2-CD1 3.71Å; F318-L505 HydrophobicContact CE2-CD2 4.16Å; F318-L505 HydrophobicContact CE2-CG 4.39Å; F318-L505 HydrophobicContact CG-CD2 3.94Å; F318-L505 HydrophobicContact CZ-CB 4.3Å; F318-L505 HydrophobicContact CZ-CD1 4.14Å; F318-L505 HydrophobicContact CZ-CD2 4.37Å
319	G	92.8	Very high	96.2	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	19.8	177.9	0	0	0	0	0	114	L315 K316 Q317 A321 Q393 P394	L315-G319 PolarHBondContact O-N 2.82Å; K316-G319 PolarHBondContact O-N 2.82Å; Q317-G319 VanDerWaalsContact C-N 3.26Å; G319-A321 PolarHBondContact O-N 3.39Å; G319-Q393 PolarHBondContact O-NE2 3.4Å; G319-P394 WeakPolarHBondContact O-CD 3.47Å; G319-P394 WeakPolarHBondContact O-CG 3.5Å
320	Y	95.2	Very high	95.9	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.02	11%	0.109	C	C	.	.			trans	-70.7	133.4	175.5	-77.3	-111.5	0	0	0	111.2	P230 L231 I233 L315 F318 P394 F396	P230-Y320 HydrophobicContact CB-CE2 3.57Å; P230-Y320 WeakPolarHBondContact CB-OH 3.35Å; P230-Y320 HydrophobicContact CG-CE2 4.26Å; L231-Y320 VanDerWaalsContact O-CE1 3.23Å; L231-Y320 WeakPolarHBondContact O-CE1 3.3Å; L231-Y320 VanDerWaalsContact O-CZ 3.29Å; L231-Y320 PolarHBondContact O-OH 2.95Å; I233-Y320 HydrophobicContact CD1-CE1 4.13Å; I233-Y320 HydrophobicContact CG1-CE1 4.49Å; L315-Y320 HydrophobicContact CB-CD1 4.47Å; L315-Y320 HydrophobicContact CB-CD2 3.98Å; L315-Y320 HydrophobicContact CB-CG 3.89Å; L315-Y320 HydrophobicContact CD2-CD2 4.26Å; L315-Y320 HydrophobicContact CD2-CE2 4.04Å; L315-Y320 WeakPolarHBondContact O-CB 3.2Å; L315-Y320 WeakPolarHBondContact O-CD2 3.43Å; L315-Y320 PolarHBondContact O-N 3.15Å; L315-Y320 VanDerWaalsContact O-N 3.15Å; F318-Y320 HydrophobicContact CB-CD2 3.92Å; F318-Y320 HydrophobicContact CB-CE2 3.98Å; Y320-P394 WeakPolarHBondContact CA-O 3.4Å; Y320-P394 HydrophobicContact CD1-CB 3.85Å; Y320-P394 HydrophobicContact CD1-CG 4.48Å; Y320-P394 HydrophobicContact CD2-CB 3.99Å; Y320-P394 HydrophobicContact CD2-CG 3.91Å; Y320-P394 HydrophobicContact CE1-CB 3.77Å; Y320-P394 HydrophobicContact CE2-CB 3.94Å; Y320-P394 HydrophobicContact CE2-CG 4.16Å; Y320-P394 HydrophobicContact CG-CB 3.97Å; Y320-P394 HydrophobicContact CG-CG 4.1Å; Y320-F396 HydrophobicContact CD1-CB 3.84Å
321	A	96.5	Very high	95.6	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.4	155	0	0	0	0	0	107.9	G319 F385 Y389 Q393 P394 F396	G319-A321 PolarHBondContact O-N 3.39Å; A321-F385 HydrophobicContact CB-CE2 3.83Å; A321-F385 HydrophobicContact CB-CZ 3.79Å; A321-Y389 HydrophobicContact CB-CD1 4.19Å; A321-Y389 HydrophobicContact CB-CD2 4.42Å; A321-Y389 HydrophobicContact CB-CE1 3.93Å; A321-Y389 HydrophobicContact CB-CE2 4.18Å; A321-Y389 HydrophobicContact CB-CG 4.41Å; A321-Q393 HydrophobicContact CB-CG 4.28Å; A321-P394 PolarHBondContact N-O 3.42Å; A321-F396 PolarHBondContact O-N 3.13Å
322	T	98	Very high	95.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136	-169.7	57.4	0	0	0	0	112.3	W312 T346 D347 H348 F396	W312-T322 HydrophobicContact CB-CG2 4.01Å; T322-T346 WeakPolarHBondContact OG1-CA 3.39Å; T322-D347 PolarHBondContact N-OD2 2.99Å; T322-D347 WeakPolarHBondContact O-CA 3.13Å; T322-D347 WeakPolarHBondContact O-CB 3.47Å; T322-D347 PolarHBondContact O-N 3.47Å; T322-D347 PolarHBondContact OG1-N 2.76Å; T322-D347 PolarHBondContact OG1-OD2 2.68Å; T322-H348 PolarHBondContact O-N 2.9Å; T322-F396 CarbonylContact C-O 3.58Å; T322-F396 WeakPolarHBondContact CA-O 3.24Å; T322-F396 HydrophobicContact CG2-CB 4.44Å
323	L	98.6	Very high	95.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.7	178.8	-177.9	155	0	0	0	110.2	I211 A325 H348 Y381 V382 F385 F396 A397 F398	I211-L323 HydrophobicContact CD1-CD1 4.1Å; L323-A325 HydrophobicContact CD2-CB 3.71Å; L323-H348 VanDerWaalsContact CA-O 3.32Å; L323-H348 WeakPolarHBondContact CA-O 3.29Å; L323-H348 HydrophobicContact CB-CB 3.92Å; L323-H348 HydrophobicContact CD1-CB 3.91Å; L323-H348 HydrophobicContact CG-CB 3.82Å; L323-Y381 HydrophobicContact CD1-CD1 3.95Å; L323-Y381 HydrophobicContact CD1-CE1 3.65Å; L323-Y381 HydrophobicContact CD2-CE1 4.45Å; L323-Y381 HydrophobicContact CG-CE1 4.05Å; L323-V382 HydrophobicContact CD2-CG2 4.11Å; L323-F385 HydrophobicContact CB-CD1 4.22Å; L323-F385 HydrophobicContact CB-CE1 4.01Å; L323-F385 HydrophobicContact CB-CZ 4.18Å; L323-F385 HydrophobicContact CD1-CB 3.79Å; L323-F385 HydrophobicContact CD1-CD1 3.93Å; L323-F385 HydrophobicContact CD1-CD2 4.17Å; L323-F385 HydrophobicContact CD1-CG 3.71Å; L323-F396 PolarHBondContact N-O 3.05Å; L323-A397 HydrophobicContact CB-CB 4.38Å; L323-A397 HydrophobicContact CD2-CB 4.28Å; L323-F398 PolarHBondContact O-N 2.91Å
324	Y	98.7	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.6	168.4	179.9	-131.3	0	0	0	109.1	E326 F334 T346 H348 Y349 L350 F398	Y324-E326 PolarHBondContact OH-OE2 3.34Å; Y324-F334 AromaticContact CE1-CD2 3.97Å; Y324-F334 HydrophobicContact CE1-CD2 3.97Å; Y324-F334 HydrophobicContact CE1-CE2 4.01Å; Y324-F334 AromaticContact CZ-CE2 3.76Å; Y324-F334 WeakPolarHBondContact OH-CE2 3.5Å; Y324-T346 PolarHBondContact N-OG1 3.3Å; Y324-H348 PolarHBondContact N-O 3.27Å; Y324-Y349 AromaticContact CD1-CD2 3.79Å; Y324-Y349 HydrophobicContact CD1-CD2 3.79Å; Y324-Y349 AromaticContact CD1-CE2 3.33Å; Y324-Y349 HydrophobicContact CD1-CE2 3.33Å; Y324-Y349 AromaticContact CE1-CE2 3.8Å; Y324-Y349 HydrophobicContact CE1-CE2 3.8Å; Y324-Y349 HydrophobicContact CG-CD2 4.41Å; Y324-Y349 HydrophobicContact CG-CE2 4.32Å; Y324-Y349 WeakPolarHBondContact O-CA 3.37Å; Y324-Y349 WeakPolarHBondContact O-CD2 3.45Å; Y324-L350 PolarHBondContact O-N 2.94Å; Y324-L350 VanDerWaalsContact O-N 3.16Å; Y324-F398 WeakPolarHBondContact CA-O 3.23Å; Y324-F398 HydrophobicContact CD2-CB 4.26Å; Y324-F398 HydrophobicContact CD2-CD1 4.02Å; Y324-F398 WeakPolarHBondContact CD2-O 3.25Å; Y324-F398 AromaticContact CE2-CD1 3.98Å; Y324-F398 HydrophobicContact CE2-CD1 3.98Å
325	A	98.5	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	117.4	-174.6	0	0	0	0	0	110.8	L323 L350 H378 Y381 F398 Q399 I400	L323-A325 HydrophobicContact CD2-CB 3.71Å; A325-L350 HydrophobicContact CB-CB 3.69Å; A325-L350 HydrophobicContact CB-CD2 3.84Å; A325-L350 HydrophobicContact CB-CG 4.44Å; A325-H378 WeakPolarHBondContact CB-NE2 3.18Å; A325-Y381 HydrophobicContact CB-CD1 4.48Å; A325-F398 PolarHBondContact N-O 2.52Å; A325-Q399 HydrophobicContact CB-CG 4.47Å; A325-Q399 CarbonylContact O-C 3.54Å; A325-Q399 VanDerWaalsContact O-CA 3.32Å; A325-Q399 WeakPolarHBondContact O-CA 3.49Å; A325-I400 PolarHBondContact O-N 2.81Å
326	E	97.8	Very high	95.2	Very high	10 Å²	10	23.4 Å²	23.4	5%	0.047	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	-180	176.3	175.9	-157.9	0	0	107.2	Y324 T333 I400 V402	Y324-E326 PolarHBondContact OH-OE2 3.34Å; E326-T333 WeakPolarHBondContact OE1-CB 3.34Å; E326-T333 PolarHBondContact OE1-N 3.06Å; E326-T333 PolarHBondContact OE1-OG1 3.08Å; E326-T333 PolarHBondContact OE2-N 2.89Å; E326-I400 WeakPolarHBondContact CA-O 3.25Å; E326-I400 HydrophobicContact CB-CG2 3.7Å; E326-I400 HydrophobicContact CG-CG2 3.75Å; E326-V402 HydrophobicContact CG-CG2 4.29Å
327	D	96.1	Very high	95.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.096	C	C	.	.			trans	-94.1	-176.6	175.9	59.3	31.7	0	0	0	112.2	Y354 Q374 H378 H401 V402 G403	D327-Y354 HydrophobicContact CB-CD2 3.72Å; D327-Y354 HydrophobicContact CB-CE2 3.44Å; D327-Y354 VanDerWaalsContact CB-CE2 3.44Å; D327-Y354 HydrophobicContact CB-CG 4.35Å; D327-Q374 VanDerWaalsContact CB-NE2 3.29Å; D327-Q374 PolarHBondContact OD2-NE2 3.16Å; D327-H378 IonicContact OD2-CE1 2.95Å; D327-H378 IonicContact OD2-ND1 3.9Å; D327-H378 PolarHBondContact OD2-ND1 2.67Å; D327-H401 IonicContact OD2-ND1 3.73Å; D327-V402 WeakPolarHBondContact OD1-CA 3.37Å; D327-V402 VanDerWaalsContact OD1-CB 3.26Å; D327-V402 WeakPolarHBondContact OD1-CB 3.41Å; D327-V402 PolarHBondContact OD1-N 3.31Å; D327-G403 PolarHBondContact OD1-N 3.3Å; D327-G403 VanDerWaalsContact OD1-N 3.15Å
328	V	95.9	Very high	95.3	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.03	7%	0.071	C	C	.	.			trans	50.1	64.9	-178	-161.6	0	0	0	0	113.5	S330 I331 G332 Y364 V402	V328-S330 PolarHBondContact O-N 3.44Å; V328-I331 HydrophobicContact CB-CG1 4.11Å; V328-I331 HydrophobicContact CG1-CD1 4.07Å; V328-I331 HydrophobicContact CG1-CG1 3.59Å; V328-I331 PolarHBondContact O-N 3.43Å; V328-G332 PolarHBondContact O-N 3.48Å; V328-Y364 HydrophobicContact CG1-CD2 4.4Å; V328-Y364 HydrophobicContact CG1-CE1 3.99Å; V328-Y364 HydrophobicContact CG1-CE2 3.78Å; V328-V402 HydrophobicContact CB-CB 4.34Å; V328-V402 HydrophobicContact CB-CG1 4.43Å; V328-V402 HydrophobicContact CG2-CB 4.09Å; V328-V402 HydrophobicContact CG2-CG1 4.39Å
329	P	95.1	Very high	95.5	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.026	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.1	-168.1	21	-30	0	0	0	115.3	I331 G332 R351 L355 Q358	P329-I331 VanDerWaalsContact C-N 3.28Å; P329-I331 PolarHBondContact O-N 2.8Å; P329-G332 PolarHBondContact O-N 2.81Å; P329-R351 VanDerWaalsContact CA-NH1 3.32Å; P329-R351 HydrophobicContact CB-CG 4.33Å; P329-R351 VanDerWaalsContact CB-NH1 3.26Å; P329-R351 PolarHBondContact O-NH1 3.13Å; P329-R351 PolarHBondContact O-NH2 3.08Å; P329-L355 HydrophobicContact CB-CD2 3.71Å; P329-L355 HydrophobicContact CB-CG 3.9Å; P329-L355 HydrophobicContact CG-CD2 3.98Å; P329-L355 HydrophobicContact CG-CG 4.13Å; P329-Q358 HydrophobicContact CG-CG 4.21Å
330	S	91.6	Very high	95.7	Very high	49 Å²	49	14.9 Å²	14.9	34%	0.343	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-61.4	-29	171	42.7	0	0	0	0	113.9	V328 Q358 Y364	V328-S330 PolarHBondContact O-N 3.44Å; S330-Q358 PolarHBondContact OG-NE2 3.27Å; S330-Y364 WeakPolarHBondContact OG-CD2 3.26Å; S330-Y364 WeakPolarHBondContact OG-CE2 3.37Å
331	I	92.1	Very high	95.8	Very high	42 Å²	42	14.8 Å²	14.8	22%	0.215	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-122.5	22.1	177.8	55.3	159.8	0	0	0	112.8	V328 P329 Y336 Y364 V402	V328-I331 HydrophobicContact CB-CG1 4.11Å; V328-I331 HydrophobicContact CG1-CD1 4.07Å; V328-I331 HydrophobicContact CG1-CG1 3.59Å; V328-I331 PolarHBondContact O-N 3.43Å; P329-I331 VanDerWaalsContact C-N 3.28Å; P329-I331 PolarHBondContact O-N 2.8Å; I331-Y336 HydrophobicContact CG2-CD2 4.27Å; I331-Y336 HydrophobicContact CG2-CE2 4.38Å; I331-Y364 WeakPolarHBondContact CD1-OH 3.4Å; I331-Y364 HydrophobicContact CG2-CE2 4.3Å; I331-V402 HydrophobicContact CD1-CG1 3.69Å; I331-V402 HydrophobicContact CG1-CG1 4.45Å
332	G	94.4	Very high	95.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	10%	0.095	C	C	.	.			trans	-57.7	142.8	-177	0	0	0	0	0	114.1	V328 P329 F334 T335 Y336	V328-G332 PolarHBondContact O-N 3.48Å; P329-G332 PolarHBondContact O-N 2.81Å; G332-F334 VanDerWaalsContact C-N 3.32Å; G332-F334 PolarHBondContact O-N 3.16Å; G332-T335 WeakPolarHBondContact CA-OG1 3.47Å; G332-T335 PolarHBondContact O-N 3.5Å; G332-T335 PolarHBondContact O-OG1 2.83Å; G332-Y336 WeakPolarHBondContact O-CB 3.5Å; G332-Y336 PolarHBondContact O-N 2.79Å
333	T	95.5	Very high	95.7	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.037	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-47.4	-171.4	-62.4	0	0	0	0	113.2	T276 P277 L280 E326	T276-T333 HydrophobicContact CG2-CG2 4.1Å; T276-T333 WeakPolarHBondContact CG2-OG1 3.36Å; P277-T333 HydrophobicContact CB-CG2 4.33Å; P277-T333 HydrophobicContact CG-CG2 4.15Å; L280-T333 HydrophobicContact CB-CG2 4.05Å; L280-T333 HydrophobicContact CG-CG2 4.21Å; E326-T333 WeakPolarHBondContact OE1-CB 3.34Å; E326-T333 PolarHBondContact OE1-N 3.06Å; E326-T333 PolarHBondContact OE1-OG1 3.08Å; E326-T333 PolarHBondContact OE2-N 2.89Å
334	F	96.9	Very high	95.6	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.3	-176.3	-54.5	-59.5	0	0	0	113.8	L280 L281 L284 V305 F310 Y324 G332 L338 G340 F341	L280-F334 HydrophobicContact CB-CZ 4.31Å; L281-F334 HydrophobicContact CD2-CD1 4.38Å; L281-F334 HydrophobicContact CD2-CE1 3.58Å; L281-F334 HydrophobicContact CD2-CZ 4.4Å; L281-F334 HydrophobicContact CG-CE1 4Å; L284-F334 HydrophobicContact CD1-CE2 4.34Å; L284-F334 HydrophobicContact CD1-CZ 3.96Å; V305-F334 HydrophobicContact CG1-CB 4.46Å; V305-F334 HydrophobicContact CG2-CB 4.31Å; F310-F334 HydrophobicContact CE1-CE1 4.11Å; F310-F334 HydrophobicContact CE1-CE2 4.37Å; F310-F334 AromaticContact CE1-CZ 3.86Å; F310-F334 HydrophobicContact CE1-CZ 3.86Å; F310-F334 HydrophobicContact CZ-CD1 4.49Å; F310-F334 HydrophobicContact CZ-CE1 4.23Å; F310-F334 HydrophobicContact CZ-CZ 4.24Å; Y324-F334 AromaticContact CE1-CD2 3.97Å; Y324-F334 HydrophobicContact CE1-CD2 3.97Å; Y324-F334 HydrophobicContact CE1-CE2 4.01Å; Y324-F334 AromaticContact CZ-CE2 3.76Å; Y324-F334 WeakPolarHBondContact OH-CE2 3.5Å; G332-F334 VanDerWaalsContact C-N 3.32Å; G332-F334 PolarHBondContact O-N 3.16Å; F334-L338 HydrophobicContact CD1-CD1 4.27Å; F334-L338 CarbonylContact O-C 3.59Å; F334-L338 VanDerWaalsContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CB 3.38Å; F334-G340 WeakPolarHBondContact O-CA 3.33Å; F334-G340 PolarHBondContact O-N 3.35Å; F334-F341 HydrophobicContact CB-CE2 4.07Å; F334-F341 AromaticContact CD2-CE2 3.7Å; F334-F341 HydrophobicContact CD2-CE2 3.7Å; F334-F341 HydrophobicContact CD2-CZ 4.01Å; F334-F341 HydrophobicContact CE2-CZ 4.49Å; F334-F341 HydrophobicContact CG-CE2 4.12Å; F334-F341 HydrophobicContact CG-CZ 4.4Å
335	T	95.7	Very high	95.5	Very high	5 Å²	5	30 Å²	30	3%	0.031	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-19.7	-171.7	56.7	0	0	0	0	113.9	D170 F171 K297 G332 R351	D170-T335 HydrophobicContact CB-CG2 3.76Å; D170-T335 WeakPolarHBondContact OD2-CG2 3.15Å; F171-T335 WeakPolarHBondContact CE1-O 3.4Å; K297-T335 WeakPolarHBondContact CE-O 3.44Å; K297-T335 PolarHBondContact NZ-O 2.75Å; G332-T335 WeakPolarHBondContact CA-OG1 3.47Å; G332-T335 PolarHBondContact O-N 3.5Å; G332-T335 PolarHBondContact O-OG1 2.83Å; T335-R351 VanDerWaalsContact CG2-CZ 3.42Å; T335-R351 VanDerWaalsContact OG1-CZ 3.24Å; T335-R351 PolarHBondContact OG1-NH1 2.83Å; T335-R351 PolarHBondContact OG1-NH2 2.78Å
336	Y	93.3	Very high	95.5	Very high	112 Å²	112	30.2 Å²	30.2	44%	0.439	14%	0.144	S	C	.	.	S	Bend	trans	-65.4	-66.3	-179.9	-179.1	-116.9	0	0	0	110.6	K297 I331 G332 Y608	K297-Y336 WeakPolarHBondContact CE-O 3.21Å; K297-Y336 PolarHBondContact NZ-O 2.91Å; I331-Y336 HydrophobicContact CG2-CD2 4.27Å; I331-Y336 HydrophobicContact CG2-CE2 4.38Å; G332-Y336 WeakPolarHBondContact O-CB 3.5Å; G332-Y336 PolarHBondContact O-N 2.79Å; Y336-Y608 HydrophobicContact CE1-CE2 4.22Å; Y336-Y608 AromaticContact CE1-CZ 3.82Å; Y336-Y608 VanDerWaalsContact CE1-OH 3.27Å; Y336-Y608 WeakPolarHBondContact CE1-OH 3.27Å; Y336-Y608 AromaticContact CZ-CZ 3.99Å; Y336-Y608 PolarHBondContact OH-OH 2.78Å
337	R	92.1	Very high	95.4	Very high	21 Å²	21	30.7 Å²	30.7	8%	0.079	15%	0.147	C	C	.	.	S	Bend	trans	-101.1	-17.8	178.6	63.6	179.6	178.5	78.9	-1.8	115	E289 R296 K297 Y608	E289-R337 IonicContact OE1-CZ 2.67Å; E289-R337 IonicContact OE1-NH1 3.77Å; E289-R337 PolarHBondContact OE1-NH1 2.66Å; E289-R337 IonicContact OE1-NH2 2.76Å; E289-R337 IonicContact OE2-CZ 2.96Å; E289-R337 IonicContact OE2-NH1 2.82Å; E289-R337 PolarHBondContact OE2-NH1 3.39Å; E289-R337 IonicContact OE2-NH2 3.17Å; E289-R337 PolarHBondContact OE2-NH2 2.96Å; R296-R337 WeakPolarHBondContact CA-O 3.46Å; K297-R337 PolarHBondContact N-O 3.35Å; R337-Y608 HydrophobicContact CB-CE1 3.88Å
338	L	94.7	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-97.5	159.3	178.8	-52.8	-176.2	0	0	0	111.2	T295 R296 K297 V305 F334 G340	T295-L338 CarbonylContact O-C 3.56Å; T295-L338 WeakPolarHBondContact O-CA 3.46Å; R296-L338 HydrophobicContact CB-CD2 4.4Å; R296-L338 HydrophobicContact CG-CD2 3.69Å; K297-L338 WeakPolarHBondContact CE-O 3.4Å; V305-L338 HydrophobicContact CG1-CB 3.93Å; V305-L338 HydrophobicContact CG1-CD1 4.13Å; F334-L338 HydrophobicContact CD1-CD1 4.27Å; F334-L338 CarbonylContact O-C 3.59Å; F334-L338 VanDerWaalsContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CB 3.38Å; L338-G340 PolarHBondContact O-N 3.26Å
339	K	95.5	Very high	95.6	Very high	47 Å²	47	30.6 Å²	30.6	20%	0.204	15%	0.146	C	C	.	.			trans	-67.4	-1	-176.6	-78.2	-172.5	175.4	-176.9	0	114.8	F171 T295 K297 A302 S303 F304	F171-K339 WeakPolarHBondContact CE2-O 3.35Å; T295-K339 WeakPolarHBondContact O-CG 3.41Å; T295-K339 PolarHBondContact O-N 3.3Å; K297-K339 HydrophobicContact CG-CG 4.22Å; A302-K339 HydrophobicContact CB-CD 4.06Å; A302-K339 PolarHBondContact O-NZ 3.12Å; S303-K339 WeakPolarHBondContact O-CD 3.36Å; F304-K339 HydrophobicContact CD1-CB 4.04Å; F304-K339 VanDerWaalsContact CD1-O 3.31Å; F304-K339 WeakPolarHBondContact CD1-O 3.37Å; F304-K339 HydrophobicContact CE1-CB 4.47Å; F304-K339 HydrophobicContact CG-CB 4.5Å
340	G	96.8	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.145	C	C	.	.			trans	67.9	-178.2	-175.2	0	0	0	0	0	112.9	D170 F304 V305 F334 L338	D170-G340 WeakPolarHBondContact OD2-CA 3.32Å; F304-G340 WeakPolarHBondContact CB-O 3.36Å; V305-G340 VanDerWaalsContact CG2-C 3.44Å; V305-G340 WeakPolarHBondContact CG2-O 3.47Å; V305-G340 PolarHBondContact N-O 3.35Å; F334-G340 WeakPolarHBondContact O-CA 3.33Å; F334-G340 PolarHBondContact O-N 3.35Å; L338-G340 PolarHBondContact O-N 3.26Å
341	F	97.6	Very high	95.9	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	13%	0.131	C	C	.	.			trans	-81	134.6	170.2	-62.8	-81.5	0	0	0	110.6	D170 V305 D306 F310 W312 F334 E343 P345	D170-F341 VanDerWaalsContact CG-N 3.26Å; D170-F341 VanDerWaalsContact OD2-CD2 3.29Å; D170-F341 WeakPolarHBondContact OD2-CD2 3.3Å; D170-F341 PolarHBondContact OD2-N 3.35Å; V305-F341 HydrophobicContact CG2-CB 4.35Å; V305-F341 HydrophobicContact CG2-CD1 3.34Å; V305-F341 HydrophobicContact CG2-CD2 3.84Å; V305-F341 HydrophobicContact CG2-CE1 3.41Å; V305-F341 VanDerWaalsContact CG2-CE1 3.41Å; V305-F341 HydrophobicContact CG2-CE2 3.86Å; V305-F341 HydrophobicContact CG2-CG 3.57Å; V305-F341 HydrophobicContact CG2-CZ 3.66Å; D306-F341 WeakPolarHBondContact OD2-CA 3.49Å; F310-F341 HydrophobicContact CD2-CE1 4.03Å; F310-F341 HydrophobicContact CD2-CZ 4.45Å; F310-F341 AromaticContact CE2-CE1 3.35Å; F310-F341 HydrophobicContact CE2-CE1 3.35Å; F310-F341 AromaticContact CE2-CZ 3.64Å; F310-F341 HydrophobicContact CE2-CZ 3.64Å; F310-F341 AromaticContact CZ-CE1 3.93Å; F310-F341 HydrophobicContact CZ-CE1 3.93Å; F310-F341 AromaticContact CZ-CZ 3.72Å; F310-F341 HydrophobicContact CZ-CZ 3.72Å; W312-F341 HydrophobicContact CH2-CZ 4.25Å; W312-F341 HydrophobicContact CZ2-CE1 4.12Å; W312-F341 AromaticContact CZ2-CZ 3.87Å; W312-F341 HydrophobicContact CZ2-CZ 3.87Å; F334-F341 HydrophobicContact CB-CE2 4.07Å; F334-F341 AromaticContact CD2-CE2 3.7Å; F334-F341 HydrophobicContact CD2-CE2 3.7Å; F334-F341 HydrophobicContact CD2-CZ 4.01Å; F334-F341 HydrophobicContact CE2-CZ 4.49Å; F334-F341 HydrophobicContact CG-CE2 4.12Å; F334-F341 HydrophobicContact CG-CZ 4.4Å; F341-E343 WeakPolarHBondContact CB-O 3.26Å; F341-P345 HydrophobicContact CD1-CB 3.64Å; F341-P345 HydrophobicContact CD1-CG 4.17Å; F341-P345 HydrophobicContact CD2-CB 4.2Å; F341-P345 HydrophobicContact CD2-CG 3.88Å; F341-P345 HydrophobicContact CE1-CB 3.48Å; F341-P345 VanDerWaalsContact CE1-CB 3.48Å; F341-P345 HydrophobicContact CE1-CG 4.21Å; F341-P345 HydrophobicContact CE2-CB 4.1Å; F341-P345 HydrophobicContact CE2-CG 3.97Å; F341-P345 HydrophobicContact CG-CB 4Å; F341-P345 HydrophobicContact CG-CG 4Å; F341-P345 HydrophobicContact CZ-CB 3.75Å; F341-P345 HydrophobicContact CZ-CG 4.14Å
342	K	96.1	Very high	96.1	Very high	118 Å²	118	26.8 Å²	26.8	51%	0.513	12%	0.121	S	C	.	.	S	Bend	trans	-82.3	-41.1	168.5	-174.6	178.1	176.1	-173.4	0	110.9	F167 F304 D306	F167-K342 WeakPolarHBondContact CE1-O 3.29Å; F304-K342 HydrophobicContact CB-CB 4.06Å; F304-K342 HydrophobicContact CD1-CB 3.94Å; F304-K342 HydrophobicContact CD2-CB 4.04Å; F304-K342 HydrophobicContact CD2-CD 4.11Å; F304-K342 HydrophobicContact CD2-CG 4.5Å; F304-K342 HydrophobicContact CE1-CB 4.38Å; F304-K342 HydrophobicContact CE2-CB 4.47Å; F304-K342 HydrophobicContact CE2-CD 4.12Å; F304-K342 HydrophobicContact CG-CB 3.75Å; D306-K342 PolarHBondContact OD1-N 3.06Å; D306-K342 PolarHBondContact OD2-N 3.31Å
343	E	96.5	Very high	96.3	Very high	123 Å²	123	26.7 Å²	26.7	58%	0.575	12%	0.12	S	C	*	.	S	Bend	trans	-109.7	150.5	176.8	-57.8	-63.2	151.1	0	0	110.4	D306 F341 P345	D306-E343 PolarHBondContact OD1-N 2.77Å; F341-E343 WeakPolarHBondContact CB-O 3.26Å; E343-P345 WeakPolarHBondContact O-CD 3.39Å; E343-P345 VanDerWaalsContact O-N 3.16Å
344	Q	96.3	Very high	96.3	Very high	61 Å²	61	26.8 Å²	26.8	29%	0.285	12%	0.12	S	C	.	.			trans	-57.7	122.8	180	-168.2	179.8	-77	0	0	111	F167 T346 D347 Y349	F167-Q344 HydrophobicContact CD1-CB 4.08Å; F167-Q344 HydrophobicContact CD2-CB 4.4Å; F167-Q344 HydrophobicContact CD2-CG 4.46Å; F167-Q344 HydrophobicContact CE1-CB 4.36Å; F167-Q344 HydrophobicContact CG-CB 4.09Å; F167-Q344 HydrophobicContact CG-CG 4.42Å; Q344-T346 WeakPolarHBondContact CG-O 3.33Å; Q344-T346 PolarHBondContact NE2-O 2.99Å; Q344-T346 PolarHBondContact O-N 3.37Å; Q344-D347 PolarHBondContact NE2-O 3Å; Q344-Y349 HydrophobicContact CG-CD1 4.13Å; Q344-Y349 HydrophobicContact CG-CG 4.34Å
345	P	97.3	Very high	96.3	Very high	20 Å²	20	27.8 Å²	27.8	13%	0.13	13%	0.125	C	C	.	.			trans	-73.7	-27.8	-167.2	24.9	-34.5	0	0	0	115.2	W312 F341 E343 Y349	W312-P345 VanDerWaalsContact CD1-O 3.25Å; W312-P345 HydrophobicContact CZ2-CB 4.1Å; W312-P345 PolarHBondContact NE1-O 3.17Å; F341-P345 HydrophobicContact CD1-CB 3.64Å; F341-P345 HydrophobicContact CD1-CG 4.17Å; F341-P345 HydrophobicContact CD2-CB 4.2Å; F341-P345 HydrophobicContact CD2-CG 3.88Å; F341-P345 HydrophobicContact CE1-CB 3.48Å; F341-P345 VanDerWaalsContact CE1-CB 3.48Å; F341-P345 HydrophobicContact CE1-CG 4.21Å; F341-P345 HydrophobicContact CE2-CB 4.1Å; F341-P345 HydrophobicContact CE2-CG 3.97Å; F341-P345 HydrophobicContact CG-CB 4Å; F341-P345 HydrophobicContact CG-CG 4Å; F341-P345 HydrophobicContact CZ-CB 3.75Å; F341-P345 HydrophobicContact CZ-CG 4.14Å; E343-P345 WeakPolarHBondContact O-CD 3.39Å; E343-P345 VanDerWaalsContact O-N 3.16Å; P345-Y349 HydrophobicContact CG-CD1 4.12Å; P345-Y349 HydrophobicContact CG-CD2 4Å; P345-Y349 HydrophobicContact CG-CE1 4.14Å; P345-Y349 HydrophobicContact CG-CE2 4.08Å; P345-Y349 HydrophobicContact CG-CG 4.03Å
346	T	97.3	Very high	96.4	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	13%	0.128	C	C	.	.	S	Bend	trans	-136.8	168.5	-173.5	48.3	0	0	0	0	110	W312 T322 Y324 Q344 H348	W312-T346 HydrophobicContact CB-CG2 4.3Å; W312-T346 HydrophobicContact CD2-CG2 4.04Å; W312-T346 HydrophobicContact CG-CG2 3.9Å; T322-T346 WeakPolarHBondContact OG1-CA 3.39Å; Y324-T346 PolarHBondContact N-OG1 3.3Å; Q344-T346 WeakPolarHBondContact CG-O 3.33Å; Q344-T346 PolarHBondContact NE2-O 2.99Å; Q344-T346 PolarHBondContact O-N 3.37Å; T346-H348 VanDerWaalsContact C-N 3.25Å; T346-H348 PolarHBondContact O-N 3.49Å; T346-H348 PolarHBondContact OG1-O 3.19Å
347	D	96.7	Very high	96.6	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.112	11%	0.107	C	C	.	.	S	Bend	trans	-62.7	-37.6	176.9	-56.2	-57.6	0	0	0	111.1	K214 K316 T322 Q344	K214-D347 HydrophobicContact CD-CB 4.2Å; K214-D347 WeakPolarHBondContact CE-O 3.44Å; K214-D347 PolarHBondContact NZ-O 3.2Å; K316-D347 WeakPolarHBondContact CE-OD1 3.31Å; K316-D347 IonicContact NZ-OD1 3.75Å; K316-D347 PolarHBondContact NZ-OD1 3.15Å; K316-D347 IonicContact NZ-OD2 3.92Å; T322-D347 PolarHBondContact N-OD2 2.99Å; T322-D347 WeakPolarHBondContact O-CA 3.13Å; T322-D347 WeakPolarHBondContact O-CB 3.47Å; T322-D347 PolarHBondContact O-N 3.47Å; T322-D347 PolarHBondContact OG1-N 2.76Å; T322-D347 PolarHBondContact OG1-OD2 2.68Å; Q344-D347 PolarHBondContact NE2-O 3Å
348	H	98	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.2	179.5	-63.6	-68.5	0	0	0	109.4	D190 I211 V212 T322 L323 Y324 T346 Y381 F385 Y389	D190-H348 IonicContact OD1-CE1 2.75Å; D190-H348 IonicContact OD1-ND1 2.71Å; D190-H348 IonicContact OD2-CE1 3.98Å; D190-H348 IonicContact OD2-CG 3.76Å; D190-H348 IonicContact OD2-ND1 3.4Å; D190-H348 PolarHBondContact OD2-ND1 2.86Å; I211-H348 HydrophobicContact CD1-CB 4.04Å; I211-H348 WeakPolarHBondContact CD1-ND1 3.49Å; V212-H348 PolarHBondContact O-CE1 2.76Å; T322-H348 PolarHBondContact O-N 2.9Å; L323-H348 VanDerWaalsContact CA-O 3.32Å; L323-H348 WeakPolarHBondContact CA-O 3.29Å; L323-H348 HydrophobicContact CB-CB 3.92Å; L323-H348 HydrophobicContact CD1-CB 3.91Å; L323-H348 HydrophobicContact CG-CB 3.82Å; Y324-H348 PolarHBondContact N-O 3.27Å; T346-H348 VanDerWaalsContact C-N 3.25Å; T346-H348 PolarHBondContact O-N 3.49Å; T346-H348 PolarHBondContact OG1-O 3.19Å; H348-Y381 WeakPolarHBondContact CB-OH 3.39Å; H348-F385 AromaticContact CD2-CD2 3.75Å; H348-F385 AromaticContact CD2-CE2 3.51Å; H348-Y389 AromaticContact NE2-CE2 3.3Å; H348-Y389 VanDerWaalsContact NE2-CE2 3.3Å; H348-Y389 WeakPolarHBondContact NE2-CE2 3.28Å; H348-Y389 AromaticContact NE2-CZ 3.45Å; H348-Y389 PolarHBondContact NE2-OH 2.84Å
349	Y	98	Very high	96.8	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	102.8	-172.7	-174.4	-140.5	0	0	0	112.3	F167 D170 F191 Y324 Q344 P345 R351	F167-Y349 HydrophobicContact CD2-CD1 4.02Å; F167-Y349 HydrophobicContact CD2-CE1 4.27Å; F167-Y349 HydrophobicContact CE2-CD1 4.12Å; F167-Y349 AromaticContact CE2-CE1 3.98Å; F167-Y349 HydrophobicContact CE2-CE1 3.98Å; D170-Y349 VanDerWaalsContact OD1-CE1 3.3Å; D170-Y349 WeakPolarHBondContact OD1-CE1 3.45Å; D170-Y349 PolarHBondContact OD1-OH 3.49Å; F191-Y349 WeakPolarHBondContact CE2-O 3.44Å; F191-Y349 WeakPolarHBondContact CZ-O 3.41Å; Y324-Y349 AromaticContact CD1-CD2 3.79Å; Y324-Y349 HydrophobicContact CD1-CD2 3.79Å; Y324-Y349 AromaticContact CD1-CE2 3.33Å; Y324-Y349 HydrophobicContact CD1-CE2 3.33Å; Y324-Y349 AromaticContact CE1-CE2 3.8Å; Y324-Y349 HydrophobicContact CE1-CE2 3.8Å; Y324-Y349 HydrophobicContact CG-CD2 4.41Å; Y324-Y349 HydrophobicContact CG-CE2 4.32Å; Y324-Y349 WeakPolarHBondContact O-CA 3.37Å; Y324-Y349 WeakPolarHBondContact O-CD2 3.45Å; Q344-Y349 HydrophobicContact CG-CD1 4.13Å; Q344-Y349 HydrophobicContact CG-CG 4.34Å; P345-Y349 HydrophobicContact CG-CD1 4.12Å; P345-Y349 HydrophobicContact CG-CD2 4Å; P345-Y349 HydrophobicContact CG-CE1 4.14Å; P345-Y349 HydrophobicContact CG-CE2 4.08Å; P345-Y349 HydrophobicContact CG-CG 4.03Å; Y349-R351 VanDerWaalsContact C-N 3.27Å; Y349-R351 HydrophobicContact CD1-CB 4.15Å; Y349-R351 HydrophobicContact CD2-CB 4.24Å; Y349-R351 HydrophobicContact CE1-CB 3.61Å; Y349-R351 HydrophobicContact CE1-CG 4.32Å; Y349-R351 HydrophobicContact CE2-CB 3.66Å; Y349-R351 HydrophobicContact CG-CB 4.47Å; Y349-R351 PolarHBondContact O-N 3.23Å; Y349-R351 WeakPolarHBondContact OH-CD 3.36Å
350	L	97.5	Very high	96.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.6	-168.2	-167.1	62.6	0	0	0	114.5	F191 A209 Y324 A325 N352 F353 Y354 H378 Y381	F191-L350 HydrophobicContact CD1-CD1 4.33Å; F191-L350 HydrophobicContact CE1-CD1 3.46Å; F191-L350 VanDerWaalsContact CE1-CD1 3.46Å; F191-L350 HydrophobicContact CZ-CD1 3.89Å; A209-L350 HydrophobicContact CB-CD1 4.36Å; Y324-L350 PolarHBondContact O-N 2.94Å; Y324-L350 VanDerWaalsContact O-N 3.16Å; A325-L350 HydrophobicContact CB-CB 3.69Å; A325-L350 HydrophobicContact CB-CD2 3.84Å; A325-L350 HydrophobicContact CB-CG 4.44Å; L350-N352 PolarHBondContact O-N 3.35Å; L350-N352 VanDerWaalsContact O-N 3.12Å; L350-F353 HydrophobicContact CD1-CB 3.84Å; L350-F353 HydrophobicContact CD1-CD1 4.13Å; L350-F353 HydrophobicContact CD1-CG 4.15Å; L350-F353 HydrophobicContact CG-CB 4.4Å; L350-F353 WeakPolarHBondContact O-CB 3.46Å; L350-F353 PolarHBondContact O-N 2.74Å; L350-Y354 HydrophobicContact CD2-CD2 4.22Å; L350-Y354 HydrophobicContact CD2-CE2 3.5Å; L350-Y354 VanDerWaalsContact CD2-CE2 3.5Å; L350-Y354 HydrophobicContact CG-CD2 4.08Å; L350-Y354 HydrophobicContact CG-CE2 3.81Å; L350-H378 WeakPolarHBondContact CD2-CD2 3.42Å; L350-H378 VanDerWaalsContact CD2-NE2 3.26Å; L350-H378 WeakPolarHBondContact CD2-NE2 3.29Å; L350-Y381 HydrophobicContact CB-CD1 4.3Å; L350-Y381 HydrophobicContact CB-CE1 4Å; L350-Y381 HydrophobicContact CD1-CD1 3.8Å; L350-Y381 HydrophobicContact CD1-CD2 4.42Å; L350-Y381 HydrophobicContact CD1-CE1 3.92Å; L350-Y381 HydrophobicContact CD1-CG 4.06Å; L350-Y381 HydrophobicContact CD2-CD1 4.17Å; L350-Y381 HydrophobicContact CG-CD1 4.32Å; L350-Y381 HydrophobicContact CG-CE1 4.42Å
351	R	96.7	Very high	96.6	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.045	15%	0.15	C	C	.	.	H	α-helix	trans	-52.7	-40.7	-175.1	179.5	173.8	-179.4	77	5	113.6	D170 P329 T335 Y349 F353 Y354 L355	D170-R351 PolarHBondContact O-NE 3.29Å; D170-R351 PolarHBondContact O-NH2 2.7Å; P329-R351 VanDerWaalsContact CA-NH1 3.32Å; P329-R351 HydrophobicContact CB-CG 4.33Å; P329-R351 VanDerWaalsContact CB-NH1 3.26Å; P329-R351 PolarHBondContact O-NH1 3.13Å; P329-R351 PolarHBondContact O-NH2 3.08Å; T335-R351 VanDerWaalsContact CG2-CZ 3.42Å; T335-R351 VanDerWaalsContact OG1-CZ 3.24Å; T335-R351 PolarHBondContact OG1-NH1 2.83Å; T335-R351 PolarHBondContact OG1-NH2 2.78Å; Y349-R351 VanDerWaalsContact C-N 3.27Å; Y349-R351 HydrophobicContact CD1-CB 4.15Å; Y349-R351 HydrophobicContact CD2-CB 4.24Å; Y349-R351 HydrophobicContact CE1-CB 3.61Å; Y349-R351 HydrophobicContact CE1-CG 4.32Å; Y349-R351 HydrophobicContact CE2-CB 3.66Å; Y349-R351 HydrophobicContact CG-CB 4.47Å; Y349-R351 PolarHBondContact O-N 3.23Å; Y349-R351 WeakPolarHBondContact OH-CD 3.36Å; R351-F353 PolarHBondContact O-N 3.38Å; R351-Y354 PolarHBondContact O-N 3.46Å; R351-L355 HydrophobicContact CG-CD1 3.89Å; R351-L355 HydrophobicContact CG-CG 4.09Å; R351-L355 WeakPolarHBondContact O-CB 3.41Å; R351-L355 WeakPolarHBondContact O-CG 3.46Å; R351-L355 PolarHBondContact O-N 3.44Å
352	N	95.3	Very high	96.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-35.6	-179	-56.4	-35.8	0	0	0	112.4	I165 F167 V173 F191 L350 K356	I165-N352 HydrophobicContact CG2-CB 4.41Å; F167-N352 WeakPolarHBondContact CA-ND2 3.35Å; F167-N352 VanDerWaalsContact CB-ND2 3.32Å; F167-N352 WeakPolarHBondContact CB-ND2 3.48Å; F167-N352 WeakPolarHBondContact CD2-OD1 3.11Å; F167-N352 PolarHBondContact N-ND2 3.41Å; V173-N352 HydrophobicContact CG1-CB 4.06Å; V173-N352 WeakPolarHBondContact CG1-O 3.35Å; F191-N352 HydrophobicContact CD2-CB 4.18Å; F191-N352 HydrophobicContact CE2-CB 4.32Å; L350-N352 PolarHBondContact O-N 3.35Å; L350-N352 VanDerWaalsContact O-N 3.12Å; N352-K356 PolarHBondContact O-N 3.15Å; N352-K356 VanDerWaalsContact O-N 3.08Å
353	F	97.8	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-54.5	176.5	178.3	-104.3	0	0	0	110.5	F191 H208 A209 L350 R351 L355 K356 V357 L369 V377	F191-F353 HydrophobicContact CB-CB 4.45Å; F191-F353 HydrophobicContact CB-CD2 4.16Å; F191-F353 HydrophobicContact CD1-CB 3.71Å; F191-F353 AromaticContact CD1-CD2 3.91Å; F191-F353 HydrophobicContact CD1-CD2 3.91Å; F191-F353 HydrophobicContact CD1-CG 4.11Å; F191-F353 HydrophobicContact CD2-CB 4.25Å; F191-F353 HydrophobicContact CE1-CB 4.01Å; F191-F353 HydrophobicContact CG-CB 3.85Å; F191-F353 HydrophobicContact CG-CD2 4.22Å; F191-F353 HydrophobicContact CG-CG 4.5Å; F191-F353 HydrophobicContact CZ-CB 4.41Å; H208-F353 WeakPolarHBondContact O-CE2 3.38Å; A209-F353 HydrophobicContact CB-CD2 4.22Å; A209-F353 HydrophobicContact CB-CE2 4.19Å; L350-F353 HydrophobicContact CD1-CB 3.84Å; L350-F353 HydrophobicContact CD1-CD1 4.13Å; L350-F353 HydrophobicContact CD1-CG 4.15Å; L350-F353 HydrophobicContact CG-CB 4.4Å; L350-F353 WeakPolarHBondContact O-CB 3.46Å; L350-F353 PolarHBondContact O-N 2.74Å; R351-F353 PolarHBondContact O-N 3.38Å; F353-L355 PolarHBondContact O-N 2.87Å; F353-K356 PolarHBondContact O-N 2.7Å; F353-V357 HydrophobicContact CD1-CG2 4.48Å; F353-V357 HydrophobicContact CE1-CG2 4.21Å; F353-V357 HydrophobicContact CZ-CG2 4.25Å; F353-V357 WeakPolarHBondContact O-CG2 3.37Å; F353-V357 PolarHBondContact O-N 2.75Å; F353-L369 HydrophobicContact CE1-CD1 3.67Å; F353-L369 HydrophobicContact CZ-CD1 3.65Å; F353-V377 HydrophobicContact CE1-CG1 4.22Å; F353-V377 HydrophobicContact CZ-CG1 4.21Å
354	Y	97.3	Very high	96	Very high	8 Å²	8	36.8 Å²	36.8	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-31	-178.5	-70.7	-58.8	0	0	0	113.6	D327 L350 R351 K356 V357 Q358 Q374 H378	D327-Y354 HydrophobicContact CB-CD2 3.72Å; D327-Y354 HydrophobicContact CB-CE2 3.44Å; D327-Y354 VanDerWaalsContact CB-CE2 3.44Å; D327-Y354 HydrophobicContact CB-CG 4.35Å; L350-Y354 HydrophobicContact CD2-CD2 4.22Å; L350-Y354 HydrophobicContact CD2-CE2 3.5Å; L350-Y354 VanDerWaalsContact CD2-CE2 3.5Å; L350-Y354 HydrophobicContact CG-CD2 4.08Å; L350-Y354 HydrophobicContact CG-CE2 3.81Å; R351-Y354 PolarHBondContact O-N 3.46Å; Y354-K356 VanDerWaalsContact C-N 3.29Å; Y354-K356 PolarHBondContact O-N 3.01Å; Y354-V357 PolarHBondContact O-N 3.45Å; Y354-Q358 WeakPolarHBondContact O-CB 3.5Å; Y354-Q358 WeakPolarHBondContact O-CG 3.31Å; Y354-Q358 PolarHBondContact O-N 3.26Å; Y354-Q374 HydrophobicContact CE1-CG 3.59Å; Y354-Q374 VanDerWaalsContact CZ-NE2 3.29Å; Y354-Q374 PolarHBondContact OH-NE2 2.83Å; Y354-H378 WeakPolarHBondContact OH-CB 3.38Å
355	L	96.9	Very high	95.8	Very high	22 Å²	22	35 Å²	35	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-44.9	171.9	-81.9	175.4	0	0	0	110.2	V173 P329 R351 F353 Q358 E359	V173-L355 HydrophobicContact CG1-CB 3.59Å; V173-L355 HydrophobicContact CG1-CD1 4.06Å; V173-L355 HydrophobicContact CG1-CG 4.5Å; P329-L355 HydrophobicContact CB-CD2 3.71Å; P329-L355 HydrophobicContact CB-CG 3.9Å; P329-L355 HydrophobicContact CG-CD2 3.98Å; P329-L355 HydrophobicContact CG-CG 4.13Å; R351-L355 HydrophobicContact CG-CD1 3.89Å; R351-L355 HydrophobicContact CG-CG 4.09Å; R351-L355 WeakPolarHBondContact O-CB 3.41Å; R351-L355 WeakPolarHBondContact O-CG 3.46Å; R351-L355 PolarHBondContact O-N 3.44Å; F353-L355 PolarHBondContact O-N 2.87Å; L355-Q358 PolarHBondContact O-N 2.81Å; L355-E359 VanDerWaalsContact O-CB 3.26Å; L355-E359 WeakPolarHBondContact O-CB 3.39Å; L355-E359 PolarHBondContact O-N 3.47Å
356	K	97.2	Very high	95.5	Very high	18 Å²	18	34.6 Å²	34.6	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-41.5	178.2	-173	49.2	172.6	164.2	0	112.5	I165 V173 Y207 N352 F353 Y354 E359 D360	I165-K356 HydrophobicContact CD1-CB 3.88Å; I165-K356 HydrophobicContact CD1-CG 3.6Å; I165-K356 HydrophobicContact CG1-CB 4.46Å; I165-K356 HydrophobicContact CG1-CG 4.05Å; I165-K356 HydrophobicContact CG2-CB 4.2Å; V173-K356 HydrophobicContact CG2-CB 4.14Å; V173-K356 HydrophobicContact CG2-CD 3.99Å; Y207-K356 HydrophobicContact CD1-CG 4.41Å; Y207-K356 HydrophobicContact CE1-CG 4.2Å; N352-K356 PolarHBondContact O-N 3.15Å; N352-K356 VanDerWaalsContact O-N 3.08Å; F353-K356 PolarHBondContact O-N 2.7Å; Y354-K356 VanDerWaalsContact C-N 3.29Å; Y354-K356 PolarHBondContact O-N 3.01Å; K356-E359 WeakPolarHBondContact CD-OE2 3.31Å; K356-E359 IonicContact NZ-OE1 3.87Å; K356-E359 IonicContact NZ-OE2 3.73Å; K356-E359 PolarHBondContact NZ-OE2 2.04Å; K356-E359 PolarHBondContact O-N 3.39Å; K356-D360 WeakPolarHBondContact CE-OD1 3.4Å; K356-D360 WeakPolarHBondContact CE-OD2 3.47Å; K356-D360 IonicContact NZ-OD1 3.35Å; K356-D360 PolarHBondContact NZ-OD1 3.25Å; K356-D360 IonicContact NZ-OD2 3.2Å; K356-D360 PolarHBondContact NZ-OD2 3.11Å; K356-D360 WeakPolarHBondContact O-CB 3.36Å; K356-D360 PolarHBondContact O-N 2.87Å
357	V	96.8	Very high	95.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-52.4	175.6	175.1	0	0	0	0	110	Y207 F353 Y354 E359 D360 T361 P366 L369	Y207-V357 HydrophobicContact CD1-CG2 4.07Å; Y207-V357 HydrophobicContact CD2-CG2 3.84Å; Y207-V357 HydrophobicContact CG-CG2 3.62Å; F353-V357 HydrophobicContact CD1-CG2 4.48Å; F353-V357 HydrophobicContact CE1-CG2 4.21Å; F353-V357 HydrophobicContact CZ-CG2 4.25Å; F353-V357 WeakPolarHBondContact O-CG2 3.37Å; F353-V357 PolarHBondContact O-N 2.75Å; Y354-V357 PolarHBondContact O-N 3.45Å; V357-E359 PolarHBondContact O-N 2.59Å; V357-D360 PolarHBondContact O-N 3.2Å; V357-T361 HydrophobicContact CG1-CG2 4.24Å; V357-T361 WeakPolarHBondContact O-CB 3.2Å; V357-T361 WeakPolarHBondContact O-CG2 3.23Å; V357-T361 PolarHBondContact O-N 3.29Å; V357-T361 PolarHBondContact O-OG1 2.93Å; V357-P366 HydrophobicContact CG1-CB 4.48Å; V357-P366 HydrophobicContact CG1-CG 3.64Å; V357-L369 HydrophobicContact CG1-CD2 4.02Å; V357-L369 HydrophobicContact CG2-CD2 4.12Å
358	Q	95.6	Very high	95.2	Very high	32 Å²	32	36.6 Å²	36.6	15%	0.15	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-39.6	179.4	-71.5	-166.9	-25	0	0	112.7	P329 S330 Y354 L355 D360 H362 E363 Y364	P329-Q358 HydrophobicContact CG-CG 4.21Å; S330-Q358 PolarHBondContact OG-NE2 3.27Å; Y354-Q358 WeakPolarHBondContact O-CB 3.5Å; Y354-Q358 WeakPolarHBondContact O-CG 3.31Å; Y354-Q358 PolarHBondContact O-N 3.26Å; L355-Q358 PolarHBondContact O-N 2.81Å; Q358-D360 VanDerWaalsContact C-N 3.32Å; Q358-D360 PolarHBondContact O-N 3.35Å; Q358-H362 VanDerWaalsContact O-CA 3.27Å; Q358-H362 WeakPolarHBondContact O-CA 3.47Å; Q358-H362 PolarHBondContact O-N 2.8Å; Q358-E363 WeakPolarHBondContact CG-O 3.25Å; Q358-Y364 PolarHBondContact NE2-O 3.11Å
359	E	95.1	Very high	95.1	Very high	102 Å²	102	37 Å²	37	48%	0.477	18%	0.18	S	C	.	.	H	α-helix	trans	-57.4	-46.3	176.6	-178.1	-169.5	-162.8	0	0	111.1	L355 K356 V357 H362	L355-E359 VanDerWaalsContact O-CB 3.26Å; L355-E359 WeakPolarHBondContact O-CB 3.39Å; L355-E359 PolarHBondContact O-N 3.47Å; K356-E359 WeakPolarHBondContact CD-OE2 3.31Å; K356-E359 IonicContact NZ-OE1 3.87Å; K356-E359 IonicContact NZ-OE2 3.73Å; K356-E359 PolarHBondContact NZ-OE2 2.04Å; K356-E359 PolarHBondContact O-N 3.39Å; V357-E359 PolarHBondContact O-N 2.59Å; E359-H362 PolarHBondContact O-CE1 2.62Å; E359-H362 PolarHBondContact O-ND1 2.83Å
360	D	95.9	Very high	94.9	Very high	48 Å²	48	38.2 Å²	38.2	26%	0.257	19%	0.193	S	C	.	.	H	α-helix	trans	-85.1	-31.6	-173.3	-75.8	-10	0	0	0	113.9	K193 Y207 K356 V357 Q358	K193-D360 IonicContact NZ-OD2 3.22Å; K193-D360 PolarHBondContact NZ-OD2 3.42Å; Y207-D360 HydrophobicContact CE1-CB 4.32Å; Y207-D360 WeakPolarHBondContact CE1-OD2 3.23Å; Y207-D360 WeakPolarHBondContact OH-CB 3.17Å; Y207-D360 PolarHBondContact OH-OD2 3.44Å; K356-D360 WeakPolarHBondContact CE-OD1 3.4Å; K356-D360 WeakPolarHBondContact CE-OD2 3.47Å; K356-D360 IonicContact NZ-OD1 3.35Å; K356-D360 PolarHBondContact NZ-OD1 3.25Å; K356-D360 IonicContact NZ-OD2 3.2Å; K356-D360 PolarHBondContact NZ-OD2 3.11Å; K356-D360 WeakPolarHBondContact O-CB 3.36Å; K356-D360 PolarHBondContact O-N 2.87Å; V357-D360 PolarHBondContact O-N 3.2Å; Q358-D360 VanDerWaalsContact C-N 3.32Å; Q358-D360 PolarHBondContact O-N 3.35Å
361	T	93.8	Very high	94.8	Very high	48 Å²	48	40 Å²	40	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-91.8	-20	-179.8	66.2	0	0	0	0	112.8	Y207 V357 E363	Y207-T361 HydrophobicContact CE2-CG2 4.43Å; V357-T361 HydrophobicContact CG1-CG2 4.24Å; V357-T361 WeakPolarHBondContact O-CB 3.2Å; V357-T361 WeakPolarHBondContact O-CG2 3.23Å; V357-T361 PolarHBondContact O-N 3.29Å; V357-T361 PolarHBondContact O-OG1 2.93Å; T361-E363 PolarHBondContact O-N 3.04Å; T361-E363 WeakPolarHBondContact OG1-CB 3.32Å; T361-E363 PolarHBondContact OG1-N 2.96Å
362	H	93.6	Very high	94.7	Very high	169 Å²	169	42.4 Å²	42.4	78%	0.782	22%	0.218	S	C	*	.			trans	57.5	18.8	-169	-51.1	-53.3	0	0	0	113.7	Q358 E359	Q358-H362 VanDerWaalsContact O-CA 3.27Å; Q358-H362 WeakPolarHBondContact O-CA 3.47Å; Q358-H362 PolarHBondContact O-N 2.8Å; E359-H362 PolarHBondContact O-CE1 2.62Å; E359-H362 PolarHBondContact O-ND1 2.83Å
363	E	93.1	Very high	94.7	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	22%	0.221	S	C	.	.			trans	-94.4	129.6	176.7	-65.4	-177.5	-157.4	0	0	110.5	Q358 T361 N365 P366	Q358-E363 WeakPolarHBondContact CG-O 3.25Å; T361-E363 PolarHBondContact O-N 3.04Å; T361-E363 WeakPolarHBondContact OG1-CB 3.32Å; T361-E363 PolarHBondContact OG1-N 2.96Å; E363-N365 PolarHBondContact O-N 3.43Å; E363-P366 HydrophobicContact CB-CB 4.25Å; E363-P366 HydrophobicContact CB-CG 4.47Å; E363-P366 WeakPolarHBondContact OE2-CB 3.45Å
364	Y	90.1	Very high	94.6	Very high	94 Å²	94	43 Å²	43	37%	0.369	22%	0.222	S	C	.	.	S	Bend	trans	-65	-36.9	177.4	164.4	-95.8	0	0	0	113	V328 S330 I331 Q358 D407	V328-Y364 HydrophobicContact CG1-CD2 4.4Å; V328-Y364 HydrophobicContact CG1-CE1 3.99Å; V328-Y364 HydrophobicContact CG1-CE2 3.78Å; S330-Y364 WeakPolarHBondContact OG-CD2 3.26Å; S330-Y364 WeakPolarHBondContact OG-CE2 3.37Å; I331-Y364 WeakPolarHBondContact CD1-OH 3.4Å; I331-Y364 HydrophobicContact CG2-CE2 4.3Å; Q358-Y364 PolarHBondContact NE2-O 3.11Å; Y364-D407 WeakPolarHBondContact CE1-OD2 3.24Å
365	N	91.6	Very high	94.5	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.134	22%	0.22	C	C	.	.	S	Bend	trans	-149.1	73.4	-175.9	-177.2	13.5	0	0	0	110.1	E363 L367 G403 R411	E363-N365 PolarHBondContact O-N 3.43Å; N365-L367 PolarHBondContact O-N 2.86Å; N365-L367 VanDerWaalsContact O-N 3.16Å; N365-G403 VanDerWaalsContact ND2-CA 3.3Å; N365-G403 WeakPolarHBondContact ND2-CA 3.35Å; N365-G403 PolarHBondContact ND2-O 2.93Å; N365-R411 PolarHBondContact ND2-NH1 3.36Å
366	P	91.6	Very high	94.5	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.071	23%	0.234	C	C	.	.			trans	-66.5	112.1	178.1	25.5	-31	0	0	0	109.7	V357 E363 C368 Q374	V357-P366 HydrophobicContact CG1-CB 4.48Å; V357-P366 HydrophobicContact CG1-CG 3.64Å; E363-P366 HydrophobicContact CB-CB 4.25Å; E363-P366 HydrophobicContact CB-CG 4.47Å; E363-P366 WeakPolarHBondContact OE2-CB 3.45Å; P366-C368 VanDerWaalsContact C-N 3.28Å; P366-C368 PolarHBondContact O-N 2.77Å; P366-Q374 WeakPolarHBondContact O-CB 3.06Å
367	L	92.6	Very high	94.5	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.168	24%	0.235	C	C	.	.			trans	-78.2	-11.6	-177.9	-61.6	-178.3	0	0	0	113.4	L129 N365 S373 Q374 Y404	L129-L367 HydrophobicContact CD1-CB 3.85Å; L129-L367 HydrophobicContact CD1-CD1 4.01Å; L129-L367 HydrophobicContact CD2-CB 4.14Å; L129-L367 WeakPolarHBondContact CD2-O 3.35Å; N365-L367 PolarHBondContact O-N 2.86Å; N365-L367 VanDerWaalsContact O-N 3.16Å; L367-S373 WeakPolarHBondContact O-CA 3.41Å; L367-Q374 WeakPolarHBondContact O-CB 3.06Å; L367-Q374 PolarHBondContact O-N 2.61Å; L367-Y404 HydrophobicContact CD2-CD2 4.24Å; L367-Y404 HydrophobicContact CD2-CE2 3.89Å
368	C	95.3	Very high	94.5	Very high	36 Å²	36	45.6 Å²	45.6	24%	0.243	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.3	-178.3	-64.9	0	0	0	0	111.2	C131 P366 E372	C131-C368 WeakPolarHBondContact CA-SG 3.33Å; C131-C368 HydrophobicContact CB-CB 3.68Å; C131-C368 WeakPolarHBondContact CB-SG 3.43Å; C131-C368 WeakPolarHBondContact SG-CB 3.06Å; C131-C368 CovalentContact SG-SG 2.04Å; C131-C368 PolarHBondContact SG-SG 2.98Å; P366-C368 VanDerWaalsContact C-N 3.28Å; P366-C368 PolarHBondContact O-N 2.77Å; C368-E372 CarbonylContact C-O 3.54Å; C368-E372 WeakPolarHBondContact CA-O 3.27Å
369	L	95.1	Very high	94.7	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	86.8	171.7	-70.8	169.3	0	0	0	108.2	N136 N206 Y207 F353 V357 S371 E372 V377	N136-L369 PolarHBondContact ND2-O 3.49Å; N136-L369 VanDerWaalsContact ND2-O 3.15Å; N206-L369 VanDerWaalsContact ND2-C 3.33Å; N206-L369 PolarHBondContact ND2-O 2.75Å; Y207-L369 HydrophobicContact CD2-CD2 4.21Å; F353-L369 HydrophobicContact CE1-CD1 3.67Å; F353-L369 HydrophobicContact CZ-CD1 3.65Å; V357-L369 HydrophobicContact CG1-CD2 4.02Å; V357-L369 HydrophobicContact CG2-CD2 4.12Å; L369-S371 PolarHBondContact O-N 3.14Å; L369-E372 PolarHBondContact N-O 2.88Å; L369-E372 PolarHBondContact O-N 3.5Å; L369-V377 HydrophobicContact CB-CG2 4.33Å; L369-V377 HydrophobicContact CD1-CB 4.11Å; L369-V377 HydrophobicContact CD1-CG1 3.89Å; L369-V377 HydrophobicContact CD1-CG2 4.02Å
370	G	94.1	Very high	94.8	Very high	28 Å²	28	40.6 Å²	40.6	29%	0.289	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-122.4	-169.2	0	0	0	0	0	111	C131 S132 N136 E372	C131-G370 WeakPolarHBondContact CB-O 3.19Å; S132-G370 VanDerWaalsContact CB-O 3.27Å; S132-G370 WeakPolarHBondContact CB-O 3.4Å; S132-G370 PolarHBondContact N-O 3.21Å; N136-G370 WeakPolarHBondContact OD1-CA 3.46Å; G370-E372 VanDerWaalsContact C-N 3.35Å
371	S	94.7	Very high	94.9	Very high	40 Å²	40	38.3 Å²	38.3	28%	0.28	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.7	179.5	56.1	0	0	0	0	114.8	S132 E134 N136 L369	S132-S371 WeakPolarHBondContact O-CA 3.44Å; S132-S371 WeakPolarHBondContact O-CB 3.47Å; E134-S371 WeakPolarHBondContact O-CB 3.49Å; N136-S371 PolarHBondContact N-OG 3.15Å; N136-S371 VanDerWaalsContact N-OG 3.07Å; N136-S371 PolarHBondContact OD1-N 2.83Å; L369-S371 PolarHBondContact O-N 3.14Å
372	E	95.3	Very high	95.2	Very high	61 Å²	61	36 Å²	36	29%	0.285	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.6	-174.7	-67.8	175.1	113.3	0	0	111.1	N136 C368 L369 G370 V377	N136-E372 PolarHBondContact ND2-OE2 2.9Å; C368-E372 CarbonylContact C-O 3.54Å; C368-E372 WeakPolarHBondContact CA-O 3.27Å; L369-E372 PolarHBondContact N-O 2.88Å; L369-E372 PolarHBondContact O-N 3.5Å; G370-E372 VanDerWaalsContact C-N 3.35Å; E372-V377 HydrophobicContact CB-CG2 3.88Å
373	S	95.7	Very high	95.4	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.1	170.5	69.5	0	0	0	0	110.6	L367 Y375 Q376 V377 Y404	L367-S373 WeakPolarHBondContact O-CA 3.41Å; S373-Y375 PolarHBondContact O-N 3.3Å; S373-Q376 PolarHBondContact O-N 3.41Å; S373-Q376 VanDerWaalsContact O-N 3.08Å; S373-Q376 WeakPolarHBondContact OG-CB 3.23Å; S373-Q376 VanDerWaalsContact OG-CG 3.24Å; S373-Q376 WeakPolarHBondContact OG-CG 3.19Å; S373-Q376 PolarHBondContact OG-N 3.48Å; S373-Q376 PolarHBondContact OG-OE1 2.87Å; S373-V377 PolarHBondContact O-N 3.12Å; S373-Y404 WeakPolarHBondContact CB-OH 3.25Å
374	Q	95.1	Very high	95.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-56.8	-36.1	176.6	173.3	-84.2	-25.5	0	0	111.3	D327 Y354 P366 L367 V377 H378	D327-Q374 VanDerWaalsContact CB-NE2 3.29Å; D327-Q374 PolarHBondContact OD2-NE2 3.16Å; Y354-Q374 HydrophobicContact CE1-CG 3.59Å; Y354-Q374 VanDerWaalsContact CZ-NE2 3.29Å; Y354-Q374 PolarHBondContact OH-NE2 2.83Å; P366-Q374 WeakPolarHBondContact O-CB 3.06Å; L367-Q374 WeakPolarHBondContact O-CB 3.06Å; L367-Q374 PolarHBondContact O-N 2.61Å; Q374-V377 PolarHBondContact O-N 2.94Å; Q374-H378 VanDerWaalsContact O-CB 3.3Å; Q374-H378 WeakPolarHBondContact O-CB 3.29Å; Q374-H378 PolarHBondContact O-N 2.78Å
375	Y	96.4	Very high	96	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-45.1	175.6	-168.8	-99.1	0	0	0	112.7	L238 S373 H378 L379 H401 Y404 A415 P418 T419	L238-Y375 HydrophobicContact CD2-CE2 3.92Å; S373-Y375 PolarHBondContact O-N 3.3Å; Y375-H378 PolarHBondContact O-N 3.27Å; Y375-L379 HydrophobicContact CD1-CD1 3.65Å; Y375-L379 HydrophobicContact CD1-CG 4.23Å; Y375-L379 HydrophobicContact CE1-CD1 3.31Å; Y375-L379 HydrophobicContact CE1-CD2 4.46Å; Y375-L379 HydrophobicContact CE1-CG 3.96Å; Y375-L379 WeakPolarHBondContact O-CG 3.42Å; Y375-L379 PolarHBondContact O-N 2.9Å; Y375-H401 HydrophobicContact CD2-CB 4.19Å; Y375-H401 AromaticContact CD2-CE1 3.63Å; Y375-H401 AromaticContact CD2-CG 3.76Å; Y375-H401 AromaticContact CD2-ND1 3.25Å; Y375-H401 VanDerWaalsContact CD2-ND1 3.25Å; Y375-H401 WeakPolarHBondContact CD2-ND1 3.25Å; Y375-H401 HydrophobicContact CE2-CB 3.88Å; Y375-H401 AromaticContact CE2-CD2 3.66Å; Y375-H401 AromaticContact CE2-CE1 3.51Å; Y375-H401 AromaticContact CE2-CG 3.4Å; Y375-H401 VanDerWaalsContact CE2-CG 3.4Å; Y375-H401 AromaticContact CE2-ND1 3.32Å; Y375-H401 VanDerWaalsContact CE2-ND1 3.32Å; Y375-H401 WeakPolarHBondContact CE2-ND1 3.37Å; Y375-H401 AromaticContact CE2-NE2 3.74Å; Y375-Y404 WeakPolarHBondContact CB-OH 3.32Å; Y375-Y404 HydrophobicContact CD2-CD1 4.17Å; Y375-Y404 HydrophobicContact CD2-CD2 4.2Å; Y375-Y404 HydrophobicContact CD2-CE1 4.4Å; Y375-Y404 HydrophobicContact CD2-CE2 4.47Å; Y375-Y404 HydrophobicContact CD2-CG 4.06Å; Y375-Y404 HydrophobicContact CG-CD1 4.34Å; Y375-Y404 HydrophobicContact CG-CE1 4.13Å; Y375-Y404 HydrophobicContact CG-CE2 4.48Å; Y375-A415 HydrophobicContact CD1-CB 4.33Å; Y375-A415 HydrophobicContact CD2-CB 4.33Å; Y375-A415 HydrophobicContact CE1-CB 3.8Å; Y375-A415 HydrophobicContact CE2-CB 3.83Å; Y375-P418 HydrophobicContact CD1-CB 3.75Å; Y375-P418 HydrophobicContact CD1-CG 4.4Å; Y375-P418 HydrophobicContact CE1-CB 3.91Å; Y375-T419 PolarHBondContact OH-OG1 3.46Å
376	Q	95.9	Very high	96.3	Very high	87 Å²	87	18.7 Å²	18.7	41%	0.407	11%	0.11	S	C	.	.	H	α-helix	trans	-68.3	-39	177.4	-75.4	170.4	-59.4	0	0	112.7	S373 H378 L379 S380 P418	S373-Q376 PolarHBondContact O-N 3.41Å; S373-Q376 VanDerWaalsContact O-N 3.08Å; S373-Q376 WeakPolarHBondContact OG-CB 3.23Å; S373-Q376 VanDerWaalsContact OG-CG 3.24Å; S373-Q376 WeakPolarHBondContact OG-CG 3.19Å; S373-Q376 PolarHBondContact OG-N 3.48Å; S373-Q376 PolarHBondContact OG-OE1 2.87Å; Q376-H378 VanDerWaalsContact C-N 3.28Å; Q376-H378 PolarHBondContact O-N 2.66Å; Q376-L379 PolarHBondContact O-N 3.42Å; Q376-S380 WeakPolarHBondContact O-CB 3.09Å; Q376-S380 PolarHBondContact O-N 3.42Å; Q376-S380 PolarHBondContact O-OG 2.95Å; Q376-P418 HydrophobicContact CG-CB 4.06Å; Q376-P418 HydrophobicContact CG-CG 4.32Å
377	V	96.7	Very high	96.6	Very high	15 Å²	15	21 Å²	21	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-44.5	173.6	172.9	0	0	0	0	109.9	F353 L369 E372 S373 Q374 S380 Y381	F353-V377 HydrophobicContact CE1-CG1 4.22Å; F353-V377 HydrophobicContact CZ-CG1 4.21Å; L369-V377 HydrophobicContact CB-CG2 4.33Å; L369-V377 HydrophobicContact CD1-CB 4.11Å; L369-V377 HydrophobicContact CD1-CG1 3.89Å; L369-V377 HydrophobicContact CD1-CG2 4.02Å; E372-V377 HydrophobicContact CB-CG2 3.88Å; S373-V377 PolarHBondContact O-N 3.12Å; Q374-V377 PolarHBondContact O-N 2.94Å; V377-S380 PolarHBondContact O-N 3.38Å; V377-Y381 PolarHBondContact O-N 3.13Å; V377-Y381 VanDerWaalsContact O-N 3.12Å
378	H	97.5	Very high	96.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-48.4	178.7	-163.3	174.6	0	0	0	111.4	A325 D327 L350 Y354 Q374 Y375 Q376 S380 Y381 Q399 I400 H401	A325-H378 WeakPolarHBondContact CB-NE2 3.18Å; D327-H378 IonicContact OD2-CE1 2.95Å; D327-H378 IonicContact OD2-ND1 3.9Å; D327-H378 PolarHBondContact OD2-ND1 2.67Å; L350-H378 WeakPolarHBondContact CD2-CD2 3.42Å; L350-H378 VanDerWaalsContact CD2-NE2 3.26Å; L350-H378 WeakPolarHBondContact CD2-NE2 3.29Å; Y354-H378 WeakPolarHBondContact OH-CB 3.38Å; Q374-H378 VanDerWaalsContact O-CB 3.3Å; Q374-H378 WeakPolarHBondContact O-CB 3.29Å; Q374-H378 PolarHBondContact O-N 2.78Å; Y375-H378 PolarHBondContact O-N 3.27Å; Q376-H378 VanDerWaalsContact C-N 3.28Å; Q376-H378 PolarHBondContact O-N 2.66Å; H378-S380 VanDerWaalsContact C-N 3.34Å; H378-S380 PolarHBondContact O-N 3.01Å; H378-Y381 WeakPolarHBondContact O-CB 3.47Å; H378-Y381 PolarHBondContact O-N 3.49Å; H378-Q399 PolarHBondContact CD2-NE2 3.28Å; H378-Q399 PolarHBondContact NE2-NE2 3.38Å; H378-Q399 PolarHBondContact O-NE2 3.12Å; H378-I400 PolarHBondContact CE1-O 2.61Å; H378-I400 VanDerWaalsContact CE1-O 3.3Å; H378-H401 AromaticContact CE1-ND1 3.93Å; H378-H401 AromaticContact CG-CE1 3.5Å; H378-H401 AromaticContact CG-ND1 3.65Å; H378-H401 AromaticContact ND1-CE1 3.49Å; H378-H401 PolarHBondContact ND1-CE1 2.84Å; H378-H401 AromaticContact ND1-CG 3.86Å; H378-H401 AromaticContact ND1-ND1 3.17Å; H378-H401 PolarHBondContact ND1-ND1 3.23Å; H378-H401 VanDerWaalsContact ND1-ND1 3.17Å
379	L	98.5	Very high	96.8	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-44.4	174.4	-73.2	175.3	0	0	0	112.1	L236 Y375 Q376 Y381 V382 E383 P418 H422	L236-L379 HydrophobicContact CD1-CD2 3.79Å; L236-L379 HydrophobicContact CD2-CD2 4.5Å; Y375-L379 HydrophobicContact CD1-CD1 3.65Å; Y375-L379 HydrophobicContact CD1-CG 4.23Å; Y375-L379 HydrophobicContact CE1-CD1 3.31Å; Y375-L379 HydrophobicContact CE1-CD2 4.46Å; Y375-L379 HydrophobicContact CE1-CG 3.96Å; Y375-L379 WeakPolarHBondContact O-CG 3.42Å; Y375-L379 PolarHBondContact O-N 2.9Å; Q376-L379 PolarHBondContact O-N 3.42Å; L379-Y381 PolarHBondContact O-N 3.41Å; L379-V382 PolarHBondContact O-N 2.77Å; L379-E383 PolarHBondContact O-N 3.36Å; L379-E383 VanDerWaalsContact O-N 3.12Å; L379-P418 HydrophobicContact CD1-CB 4.18Å; L379-H422 HydrophobicContact CD1-CB 4.02Å; L379-H422 HydrophobicContact CD2-CB 4.27Å; L379-H422 PolarHBondContact O-CE1 3.26Å
380	S	98	Very high	96.6	Very high	24 Å²	24	22.9 Å²	22.9	17%	0.168	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-31.4	-178.6	-69.1	0	0	0	0	112.8	R141 Q376 V377 H378 V382 E383 D384	R141-S380 PolarHBondContact NH1-O 3.47Å; R141-S380 PolarHBondContact NH2-OG 3.4Å; Q376-S380 WeakPolarHBondContact O-CB 3.09Å; Q376-S380 PolarHBondContact O-N 3.42Å; Q376-S380 PolarHBondContact O-OG 2.95Å; V377-S380 PolarHBondContact O-N 3.38Å; H378-S380 VanDerWaalsContact C-N 3.34Å; H378-S380 PolarHBondContact O-N 3.01Å; S380-V382 VanDerWaalsContact C-N 3.3Å; S380-V382 PolarHBondContact O-N 2.88Å; S380-E383 WeakPolarHBondContact O-CB 3.29Å; S380-E383 PolarHBondContact O-N 3.27Å; S380-D384 WeakPolarHBondContact O-CB 3.46Å; S380-D384 PolarHBondContact O-N 2.79Å
381	Y	98.5	Very high	96.5	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-40.4	174.8	-176.1	-121.8	0	0	0	111.9	D190 F191 A209 T210 I211 L323 A325 H348 L350 V377 H378 L379 F385	D190-Y381 HydrophobicContact CB-CE2 4.23Å; D190-Y381 PolarHBondContact OD2-OH 2.91Å; F191-Y381 HydrophobicContact CE1-CD2 4.26Å; F191-Y381 HydrophobicContact CE1-CE1 4.45Å; F191-Y381 AromaticContact CE1-CE2 3.56Å; F191-Y381 HydrophobicContact CE1-CE2 3.56Å; F191-Y381 AromaticContact CE1-CZ 3.67Å; F191-Y381 HydrophobicContact CZ-CE1 4.42Å; F191-Y381 HydrophobicContact CZ-CE2 4.05Å; F191-Y381 AromaticContact CZ-CZ 3.68Å; F191-Y381 VanDerWaalsContact CZ-OH 3.28Å; F191-Y381 WeakPolarHBondContact CZ-OH 3.42Å; A209-Y381 HydrophobicContact CB-CD2 3.96Å; T210-Y381 VanDerWaalsContact O-CE2 3.29Å; T210-Y381 WeakPolarHBondContact O-CE2 3.45Å; I211-Y381 HydrophobicContact CD1-CD2 3.94Å; I211-Y381 HydrophobicContact CD1-CE1 4.3Å; I211-Y381 HydrophobicContact CD1-CE2 3.33Å; I211-Y381 HydrophobicContact CG1-CD2 4.22Å; I211-Y381 HydrophobicContact CG1-CE2 4Å; L323-Y381 HydrophobicContact CD1-CD1 3.95Å; L323-Y381 HydrophobicContact CD1-CE1 3.65Å; L323-Y381 HydrophobicContact CD2-CE1 4.45Å; L323-Y381 HydrophobicContact CG-CE1 4.05Å; A325-Y381 HydrophobicContact CB-CD1 4.48Å; H348-Y381 WeakPolarHBondContact CB-OH 3.39Å; L350-Y381 HydrophobicContact CB-CD1 4.3Å; L350-Y381 HydrophobicContact CB-CE1 4Å; L350-Y381 HydrophobicContact CD1-CD1 3.8Å; L350-Y381 HydrophobicContact CD1-CD2 4.42Å; L350-Y381 HydrophobicContact CD1-CE1 3.92Å; L350-Y381 HydrophobicContact CD1-CG 4.06Å; L350-Y381 HydrophobicContact CD2-CD1 4.17Å; L350-Y381 HydrophobicContact CG-CD1 4.32Å; L350-Y381 HydrophobicContact CG-CE1 4.42Å; V377-Y381 PolarHBondContact O-N 3.13Å; V377-Y381 VanDerWaalsContact O-N 3.12Å; H378-Y381 WeakPolarHBondContact O-CB 3.47Å; H378-Y381 PolarHBondContact O-N 3.49Å; L379-Y381 PolarHBondContact O-N 3.41Å; Y381-F385 PolarHBondContact O-N 3.45Å; Y381-F385 VanDerWaalsContact O-N 3.08Å
382	V	98.7	Very high	96.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-75.1	-36.1	175.7	-175.5	0	0	0	0	111.7	Y234 L323 L379 S380 D384 F385 F386 A397 Q399 F426	Y234-V382 HydrophobicContact CD2-CG1 4.19Å; Y234-V382 HydrophobicContact CE1-CG1 4.01Å; Y234-V382 HydrophobicContact CE2-CB 4.43Å; Y234-V382 HydrophobicContact CE2-CG1 3.68Å; Y234-V382 HydrophobicContact CE2-CG2 4.31Å; L323-V382 HydrophobicContact CD2-CG2 4.11Å; L379-V382 PolarHBondContact O-N 2.77Å; S380-V382 VanDerWaalsContact C-N 3.3Å; S380-V382 PolarHBondContact O-N 2.88Å; V382-D384 VanDerWaalsContact C-N 3.28Å; V382-D384 PolarHBondContact O-N 2.63Å; V382-F385 WeakPolarHBondContact O-CB 3.41Å; V382-F385 PolarHBondContact O-N 3.17Å; V382-F385 VanDerWaalsContact O-N 3.14Å; V382-F386 HydrophobicContact CG1-CD2 3.84Å; V382-F386 HydrophobicContact CG1-CE2 3.85Å; V382-F386 WeakPolarHBondContact O-CD2 3.49Å; V382-F386 PolarHBondContact O-N 2.85Å; V382-A397 HydrophobicContact CG1-CB 4.01Å; V382-Q399 HydrophobicContact CG2-CB 4.21Å; V382-Q399 HydrophobicContact CG2-CG 4.43Å; V382-F426 HydrophobicContact CG1-CZ 4.3Å
383	E	98.7	Very high	96.1	Very high	25 Å²	25	28 Å²	28	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-41.9	173	-63.4	175.5	177.2	0	0	111.9	R141 L379 S380 F385 F386 T387 H422 F425	R141-E383 IonicContact NH1-OE2 3.7Å; R141-E383 IonicContact NH2-OE2 2.69Å; L379-E383 PolarHBondContact O-N 3.36Å; L379-E383 VanDerWaalsContact O-N 3.12Å; S380-E383 WeakPolarHBondContact O-CB 3.29Å; S380-E383 PolarHBondContact O-N 3.27Å; E383-F385 VanDerWaalsContact C-N 3.31Å; E383-F386 PolarHBondContact O-N 3.45Å; E383-T387 WeakPolarHBondContact O-CB 3.5Å; E383-T387 PolarHBondContact O-N 3.35Å; E383-T387 PolarHBondContact O-OG1 3.01Å; E383-H422 VanDerWaalsContact CG-CE1 3.46Å; E383-H422 WeakPolarHBondContact CG-CE1 3.34Å; E383-H422 WeakPolarHBondContact CG-ND1 3.34Å; E383-H422 IonicContact OE1-CE1 2.6Å; E383-H422 IonicContact OE1-CG 2.76Å; E383-H422 IonicContact OE1-ND1 2.86Å; E383-H422 PolarHBondContact OE1-ND1 3.16Å; E383-F425 HydrophobicContact CB-CD1 4.15Å; E383-F425 HydrophobicContact CB-CE1 3.59Å; E383-F425 HydrophobicContact CB-CE2 4.43Å; E383-F425 HydrophobicContact CB-CZ 3.75Å; E383-F425 HydrophobicContact CG-CD1 3.69Å; E383-F425 HydrophobicContact CG-CE1 3.68Å; E383-F425 HydrophobicContact CG-CG 4.23Å; E383-F425 HydrophobicContact CG-CZ 4.19Å
384	D	98.3	Very high	96.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-38	176	-155.8	41.1	0	0	0	110.6	R141 N142 T210 I211 S380 V382 F386 T387 T388	R141-D384 WeakPolarHBondContact CA-OD1 3.26Å; R141-D384 WeakPolarHBondContact CD-OD1 3.43Å; N142-D384 PolarHBondContact N-OD1 2.72Å; N142-D384 PolarHBondContact N-OD2 3.12Å; T210-D384 VanDerWaalsContact CA-OD2 3.23Å; T210-D384 WeakPolarHBondContact CA-OD2 3.3Å; T210-D384 WeakPolarHBondContact CB-OD2 3.31Å; T210-D384 PolarHBondContact OG1-OD2 3.11Å; I211-D384 HydrophobicContact CG1-CB 4.15Å; I211-D384 PolarHBondContact N-OD2 3.24Å; S380-D384 WeakPolarHBondContact O-CB 3.46Å; S380-D384 PolarHBondContact O-N 2.79Å; V382-D384 VanDerWaalsContact C-N 3.28Å; V382-D384 PolarHBondContact O-N 2.63Å; D384-F386 PolarHBondContact O-N 3Å; D384-T387 PolarHBondContact O-N 3.41Å; D384-T388 VanDerWaalsContact O-CB 3.23Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 2.8Å; D384-T388 PolarHBondContact O-OG1 2.96Å
385	F	98.4	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-45.4	177	176.9	-120.7	0	0	0	112.7	I211 A321 L323 H348 Y381 V382 E383 T387 Y389 K395 A397	I211-F385 HydrophobicContact CD1-CB 3.92Å; I211-F385 HydrophobicContact CD1-CD2 4.13Å; I211-F385 HydrophobicContact CD1-CG 4.43Å; I211-F385 HydrophobicContact CG1-CB 3.8Å; I211-F385 HydrophobicContact CG2-CD2 4.24Å; A321-F385 HydrophobicContact CB-CE2 3.83Å; A321-F385 HydrophobicContact CB-CZ 3.79Å; L323-F385 HydrophobicContact CB-CD1 4.22Å; L323-F385 HydrophobicContact CB-CE1 4.01Å; L323-F385 HydrophobicContact CB-CZ 4.18Å; L323-F385 HydrophobicContact CD1-CB 3.79Å; L323-F385 HydrophobicContact CD1-CD1 3.93Å; L323-F385 HydrophobicContact CD1-CD2 4.17Å; L323-F385 HydrophobicContact CD1-CG 3.71Å; H348-F385 AromaticContact CD2-CD2 3.75Å; H348-F385 AromaticContact CD2-CE2 3.51Å; Y381-F385 PolarHBondContact O-N 3.45Å; Y381-F385 VanDerWaalsContact O-N 3.08Å; V382-F385 WeakPolarHBondContact O-CB 3.41Å; V382-F385 PolarHBondContact O-N 3.17Å; V382-F385 VanDerWaalsContact O-N 3.14Å; E383-F385 VanDerWaalsContact C-N 3.31Å; F385-T387 VanDerWaalsContact C-N 3.3Å; F385-T387 PolarHBondContact O-N 2.67Å; F385-Y389 AromaticContact CD2-CD2 3.63Å; F385-Y389 HydrophobicContact CD2-CD2 3.63Å; F385-Y389 AromaticContact CD2-CE2 3.59Å; F385-Y389 HydrophobicContact CD2-CE2 3.59Å; F385-Y389 AromaticContact CE2-CD2 3.57Å; F385-Y389 HydrophobicContact CE2-CD2 3.57Å; F385-Y389 AromaticContact CE2-CE2 3.4Å; F385-Y389 HydrophobicContact CE2-CE2 3.4Å; F385-Y389 VanDerWaalsContact CE2-CE2 3.4Å; F385-Y389 PolarHBondContact O-N 2.89Å; F385-K395 HydrophobicContact CE1-CB 3.67Å; F385-K395 HydrophobicContact CE1-CD 4.31Å; F385-K395 HydrophobicContact CE1-CG 4.28Å; F385-K395 HydrophobicContact CZ-CB 3.99Å; F385-K395 HydrophobicContact CZ-CG 4.33Å; F385-A397 HydrophobicContact CD1-CB 4.21Å; F385-A397 HydrophobicContact CE1-CB 4.14Å
386	F	98	Very high	96.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-28.2	176.7	-85.3	-99.5	0	0	0	113.1	N232 Y234 V382 E383 D384 K395 A397 F426 F431 T435	N232-F386 HydrophobicContact CB-CE1 3.84Å; N232-F386 HydrophobicContact CB-CZ 4.23Å; Y234-F386 HydrophobicContact CD1-CE2 4.43Å; Y234-F386 HydrophobicContact CG-CE2 4.33Å; Y234-F386 HydrophobicContact CG-CZ 4.45Å; V382-F386 HydrophobicContact CG1-CD2 3.84Å; V382-F386 HydrophobicContact CG1-CE2 3.85Å; V382-F386 WeakPolarHBondContact O-CD2 3.49Å; V382-F386 PolarHBondContact O-N 2.85Å; E383-F386 PolarHBondContact O-N 3.45Å; D384-F386 PolarHBondContact O-N 3Å; F386-K395 HydrophobicContact CD1-CD 3.89Å; F386-K395 HydrophobicContact CD2-CD 4.5Å; F386-K395 HydrophobicContact CE1-CB 4.28Å; F386-K395 HydrophobicContact CE1-CD 4.18Å; F386-K395 HydrophobicContact CG-CD 4.07Å; F386-K395 HydrophobicContact CZ-CB 4.17Å; F386-A397 HydrophobicContact CE2-CB 4.07Å; F386-F426 HydrophobicContact CB-CE1 4.5Å; F386-F426 HydrophobicContact CB-CZ 4.42Å; F386-F426 AromaticContact CD1-CE1 3.74Å; F386-F426 HydrophobicContact CD1-CE1 3.74Å; F386-F426 HydrophobicContact CD1-CZ 4.33Å; F386-F426 AromaticContact CD2-CE1 3.81Å; F386-F426 HydrophobicContact CD2-CE1 3.81Å; F386-F426 AromaticContact CD2-CZ 3.6Å; F386-F426 HydrophobicContact CD2-CZ 3.6Å; F386-F426 AromaticContact CE1-CE1 3.81Å; F386-F426 HydrophobicContact CE1-CE1 3.81Å; F386-F426 AromaticContact CE2-CE1 3.87Å; F386-F426 HydrophobicContact CE2-CE1 3.87Å; F386-F426 AromaticContact CE2-CZ 3.85Å; F386-F426 HydrophobicContact CE2-CZ 3.85Å; F386-F426 AromaticContact CG-CE1 3.74Å; F386-F426 HydrophobicContact CG-CE1 3.74Å; F386-F426 AromaticContact CG-CZ 3.86Å; F386-F426 HydrophobicContact CG-CZ 3.86Å; F386-F426 AromaticContact CZ-CE1 3.87Å; F386-F426 HydrophobicContact CZ-CE1 3.87Å; F386-F426 HydrophobicContact CZ-CZ 4.33Å; F386-F431 HydrophobicContact CB-CD1 4.27Å; F386-F431 HydrophobicContact CB-CD2 4.06Å; F386-F431 HydrophobicContact CB-CE1 4.14Å; F386-F431 HydrophobicContact CB-CE2 3.91Å; F386-F431 HydrophobicContact CB-CG 4.26Å; F386-F431 HydrophobicContact CB-CZ 3.97Å; F386-F431 HydrophobicContact CD1-CB 4.29Å; F386-F431 HydrophobicContact CD1-CD1 4.17Å; F386-F431 HydrophobicContact CD1-CG 4.17Å; F386-F431 VanDerWaalsContact O-CE1 3.29Å; F386-F431 WeakPolarHBondContact O-CE1 3.19Å; F386-F431 WeakPolarHBondContact O-CZ 3.44Å; F386-T435 HydrophobicContact CE1-CG2 4.38Å; F386-T435 HydrophobicContact CZ-CG2 4.4Å
387	T	97.2	Very high	96.4	Very high	58 Å²	58	23.6 Å²	23.6	36%	0.356	12%	0.123	S	C	.	.	H	α-helix	trans	-82.7	-37.1	180	-55.4	0	0	0	0	112.7	E383 D384 F385	E383-T387 WeakPolarHBondContact O-CB 3.5Å; E383-T387 PolarHBondContact O-N 3.35Å; E383-T387 PolarHBondContact O-OG1 3.01Å; D384-T387 PolarHBondContact O-N 3.41Å; F385-T387 VanDerWaalsContact C-N 3.3Å; F385-T387 PolarHBondContact O-N 2.67Å
388	T	96.3	Very high	96.5	Very high	26 Å²	26	22.9 Å²	22.9	16%	0.16	12%	0.119	C	C	.	.	H	α-helix	trans	-72.3	-43.7	-174.5	-59.3	0	0	0	0	111.8	N142 I211 P213 D384	N142-T388 WeakPolarHBondContact CA-OG1 3.36Å; N142-T388 PolarHBondContact OD1-OG1 2.78Å; N142-T388 VanDerWaalsContact OD1-OG1 3.14Å; I211-T388 HydrophobicContact CB-CG2 4.45Å; I211-T388 HydrophobicContact CG2-CG2 3.89Å; P213-T388 HydrophobicContact CB-CG2 3.91Å; P213-T388 HydrophobicContact CG-CG2 3.9Å; D384-T388 VanDerWaalsContact O-CB 3.23Å; D384-T388 WeakPolarHBondContact O-CB 3.39Å; D384-T388 PolarHBondContact O-N 2.8Å; D384-T388 PolarHBondContact O-OG1 2.96Å
389	Y	94.8	Very high	96.6	Very high	13 Å²	13	22.8 Å²	22.8	5%	0.051	12%	0.118	C	C	.	.	S	Bend	trans	-81.9	141.9	-178.8	-78.4	-86.4	0	0	0	112	I211 K214 A321 H348 F385 Q393 K395	I211-Y389 HydrophobicContact CG2-CD2 4.28Å; I211-Y389 HydrophobicContact CG2-CE2 3.82Å; K214-Y389 PolarHBondContact N-OH 2.71Å; A321-Y389 HydrophobicContact CB-CD1 4.19Å; A321-Y389 HydrophobicContact CB-CD2 4.42Å; A321-Y389 HydrophobicContact CB-CE1 3.93Å; A321-Y389 HydrophobicContact CB-CE2 4.18Å; A321-Y389 HydrophobicContact CB-CG 4.41Å; H348-Y389 AromaticContact NE2-CE2 3.3Å; H348-Y389 VanDerWaalsContact NE2-CE2 3.3Å; H348-Y389 WeakPolarHBondContact NE2-CE2 3.28Å; H348-Y389 AromaticContact NE2-CZ 3.45Å; H348-Y389 PolarHBondContact NE2-OH 2.84Å; F385-Y389 AromaticContact CD2-CD2 3.63Å; F385-Y389 HydrophobicContact CD2-CD2 3.63Å; F385-Y389 AromaticContact CD2-CE2 3.59Å; F385-Y389 HydrophobicContact CD2-CE2 3.59Å; F385-Y389 AromaticContact CE2-CD2 3.57Å; F385-Y389 HydrophobicContact CE2-CD2 3.57Å; F385-Y389 AromaticContact CE2-CE2 3.4Å; F385-Y389 HydrophobicContact CE2-CE2 3.4Å; F385-Y389 VanDerWaalsContact CE2-CE2 3.4Å; F385-Y389 PolarHBondContact O-N 2.89Å; Y389-Q393 HydrophobicContact CD1-CG 3.95Å; Y389-K395 PolarHBondContact O-NZ 3.49Å
390	P	92.8	Very high	96.6	Very high	79 Å²	79	22.6 Å²	22.6	51%	0.513	12%	0.117	S	C	.	.			trans	-53.4	156.4	175	-25.6	33.9	0	0	0	113.4	E392 Q393 K395	P390-E392 PolarHBondContact O-N 2.97Å; P390-Q393 WeakPolarHBondContact O-CB 3.26Å; P390-Q393 PolarHBondContact O-N 3.13Å; P390-K395 PolarHBondContact O-NZ 3.29Å
391	R	90.6	Very high	96.5	Very high	90 Å²	90	21.5 Å²	21.5	34%	0.34	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.4	-178.7	-76.6	-66.6	-170.1	152.1	2.3	113.1	R229 Q393 K429 G430 F431 D434	R229-R391 PolarHBondContact NH1-O 2.72Å; R391-Q393 VanDerWaalsContact C-N 3.3Å; R391-K429 PolarHBondContact NH2-O 3.5Å; R391-G430 PolarHBondContact NH1-O 2.8Å; R391-F431 VanDerWaalsContact CZ-CD1 3.48Å; R391-F431 VanDerWaalsContact NH1-CD1 3.3Å; R391-D434 IonicContact NH1-OD2 3.15Å
392	E	89.6	Confident	96.4	Very high	140 Å²	140	21.6 Å²	21.6	65%	0.654	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.3	-177.4	-63.6	67.2	-146.5	0	0	111.7	P390 P394	P390-E392 PolarHBondContact O-N 2.97Å; E392-P394 WeakPolarHBondContact O-CD 3.39Å
393	Q	92.1	Very high	96.1	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.023	11%	0.11	C	C	.	.	S	Bend	trans	-74.7	116.9	176.5	-169.3	76.1	48.7	0	0	110	S216 N218 G319 A321 Y389 P390 R391 K395	S216-Q393 VanDerWaalsContact CB-CD 3.5Å; S216-Q393 VanDerWaalsContact CB-NE2 3.31Å; S216-Q393 VanDerWaalsContact CB-OE1 3.26Å; S216-Q393 PolarHBondContact OG-OE1 2.87Å; N218-Q393 PolarHBondContact ND2-OE1 3.49Å; N218-Q393 PolarHBondContact OD1-NE2 3.5Å; N218-Q393 PolarHBondContact OD1-OE1 2.8Å; N218-Q393 VanDerWaalsContact OD1-OE1 3.12Å; G319-Q393 PolarHBondContact O-NE2 3.4Å; A321-Q393 HydrophobicContact CB-CG 4.28Å; Y389-Q393 HydrophobicContact CD1-CG 3.95Å; P390-Q393 WeakPolarHBondContact O-CB 3.26Å; P390-Q393 PolarHBondContact O-N 3.13Å; R391-Q393 VanDerWaalsContact C-N 3.3Å; Q393-K395 WeakPolarHBondContact O-CG 3.34Å; Q393-K395 PolarHBondContact O-NZ 2.99Å
394	P	95.5	Very high	95.8	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.045	11%	0.106	C	C	.	.			trans	-70.1	146.3	175.1	29.3	-31.9	0	0	0	110.9	P230 N232 G319 Y320 A321 E392	P230-P394 HydrophobicContact CB-CB 3.88Å; P230-P394 HydrophobicContact CB-CG 4.22Å; P230-P394 HydrophobicContact CG-CB 4.31Å; P230-P394 HydrophobicContact CG-CG 4.13Å; N232-P394 WeakPolarHBondContact OD1-CA 3.32Å; G319-P394 WeakPolarHBondContact O-CD 3.47Å; G319-P394 WeakPolarHBondContact O-CG 3.5Å; Y320-P394 WeakPolarHBondContact CA-O 3.4Å; Y320-P394 HydrophobicContact CD1-CB 3.85Å; Y320-P394 HydrophobicContact CD1-CG 4.48Å; Y320-P394 HydrophobicContact CD2-CB 3.99Å; Y320-P394 HydrophobicContact CD2-CG 3.91Å; Y320-P394 HydrophobicContact CE1-CB 3.77Å; Y320-P394 HydrophobicContact CE2-CB 3.94Å; Y320-P394 HydrophobicContact CE2-CG 4.16Å; Y320-P394 HydrophobicContact CG-CB 3.97Å; Y320-P394 HydrophobicContact CG-CG 4.1Å; A321-P394 PolarHBondContact N-O 3.42Å; E392-P394 WeakPolarHBondContact O-CD 3.39Å
395	K	97.3	Very high	95.4	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.3	-171.9	-52	-173.9	-152	-38.9	0	110.5	N232 I233 F385 F386 Y389 P390 Q393	N232-K395 CarbonylContact C-O 3.51Å; N232-K395 WeakPolarHBondContact CA-O 3.29Å; N232-K395 HydrophobicContact CB-CB 4.31Å; N232-K395 PolarHBondContact OD1-N 2.97Å; I233-K395 PolarHBondContact N-O 3.27Å; F385-K395 HydrophobicContact CE1-CB 3.67Å; F385-K395 HydrophobicContact CE1-CD 4.31Å; F385-K395 HydrophobicContact CE1-CG 4.28Å; F385-K395 HydrophobicContact CZ-CB 3.99Å; F385-K395 HydrophobicContact CZ-CG 4.33Å; F386-K395 HydrophobicContact CD1-CD 3.89Å; F386-K395 HydrophobicContact CD2-CD 4.5Å; F386-K395 HydrophobicContact CE1-CB 4.28Å; F386-K395 HydrophobicContact CE1-CD 4.18Å; F386-K395 HydrophobicContact CG-CD 4.07Å; F386-K395 HydrophobicContact CZ-CB 4.17Å; Y389-K395 PolarHBondContact O-NZ 3.49Å; P390-K395 PolarHBondContact O-NZ 3.29Å; Q393-K395 WeakPolarHBondContact O-CG 3.34Å; Q393-K395 PolarHBondContact O-NZ 2.99Å
396	F	98.4	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.3	170.5	173.5	-95.6	0	0	0	107.7	I233 F235 L284 I311 W312 L315 Y320 A321 T322 L323 F398 L501	I233-F396 HydrophobicContact CB-CD2 3.86Å; I233-F396 HydrophobicContact CD1-CD2 4.39Å; I233-F396 HydrophobicContact CG2-CD2 3.7Å; I233-F396 HydrophobicContact CG2-CE2 3.87Å; I233-F396 CarbonylContact O-C 3.54Å; I233-F396 WeakPolarHBondContact O-CA 3.41Å; F235-F396 HydrophobicContact CD2-CE2 4.44Å; F235-F396 HydrophobicContact CE2-CE2 4.44Å; L284-F396 HydrophobicContact CD2-CZ 4.16Å; I311-F396 HydrophobicContact CG2-CE2 4.35Å; I311-F396 HydrophobicContact CG2-CZ 4.08Å; W312-F396 HydrophobicContact CB-CD1 3.92Å; W312-F396 HydrophobicContact CB-CE1 3.88Å; W312-F396 HydrophobicContact CE3-CE1 4.01Å; L315-F396 HydrophobicContact CD1-CB 3.89Å; L315-F396 HydrophobicContact CD1-CD1 4.34Å; L315-F396 HydrophobicContact CD1-CD2 3.24Å; L315-F396 HydrophobicContact CD1-CE2 3.81Å; L315-F396 HydrophobicContact CD1-CG 3.55Å; Y320-F396 HydrophobicContact CD1-CB 3.84Å; A321-F396 PolarHBondContact O-N 3.13Å; T322-F396 CarbonylContact C-O 3.58Å; T322-F396 WeakPolarHBondContact CA-O 3.24Å; T322-F396 HydrophobicContact CG2-CB 4.44Å; L323-F396 PolarHBondContact N-O 3.05Å; F396-F398 HydrophobicContact CE1-CB 3.86Å; F396-F398 HydrophobicContact CZ-CB 3.92Å; F396-F398 AromaticContact CZ-CD2 3.92Å; F396-F398 HydrophobicContact CZ-CD2 3.92Å; F396-F398 HydrophobicContact CZ-CG 4.37Å; F396-L501 HydrophobicContact CE2-CD1 4.34Å
397	A	98.9	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	175	0	0	0	0	0	109.4	I233 Y234 F235 L323 V382 F385 F386	I233-A397 PolarHBondContact O-N 2.92Å; Y234-A397 CarbonylContact C-O 3.5Å; Y234-A397 WeakPolarHBondContact CA-O 3.36Å; Y234-A397 HydrophobicContact CD2-CB 3.59Å; Y234-A397 HydrophobicContact CE2-CB 4.18Å; Y234-A397 HydrophobicContact CG-CB 4.29Å; F235-A397 PolarHBondContact N-O 3.41Å; L323-A397 HydrophobicContact CB-CB 4.38Å; L323-A397 HydrophobicContact CD2-CB 4.28Å; V382-A397 HydrophobicContact CG1-CB 4.01Å; F385-A397 HydrophobicContact CD1-CB 4.21Å; F385-A397 HydrophobicContact CE1-CB 4.14Å; F386-A397 HydrophobicContact CE2-CB 4.07Å
398	F	98.9	Very high	93.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	99.9	173.8	-160.4	-72.8	0	0	0	108.8	F235 L280 I283 L284 L323 Y324 A325 F396 F440	F235-F398 HydrophobicContact CB-CD2 3.62Å; F235-F398 HydrophobicContact CB-CE2 3.74Å; F235-F398 HydrophobicContact CB-CG 4.11Å; F235-F398 HydrophobicContact CB-CZ 4.3Å; F235-F398 HydrophobicContact CD1-CD2 4.29Å; F235-F398 AromaticContact CD1-CE2 3.72Å; F235-F398 HydrophobicContact CD1-CE2 3.72Å; F235-F398 HydrophobicContact CD1-CZ 4.37Å; F235-F398 AromaticContact CD2-CD2 3.71Å; F235-F398 HydrophobicContact CD2-CD2 3.71Å; F235-F398 AromaticContact CD2-CE2 3.92Å; F235-F398 HydrophobicContact CD2-CE2 3.92Å; F235-F398 HydrophobicContact CE1-CE2 4.25Å; F235-F398 HydrophobicContact CE2-CD2 4.42Å; F235-F398 HydrophobicContact CE2-CE2 4.43Å; F235-F398 AromaticContact CG-CD2 3.63Å; F235-F398 HydrophobicContact CG-CD2 3.63Å; F235-F398 AromaticContact CG-CE2 3.53Å; F235-F398 HydrophobicContact CG-CE2 3.53Å; F235-F398 HydrophobicContact CG-CZ 4.39Å; L280-F398 HydrophobicContact CD1-CD1 4.3Å; L280-F398 HydrophobicContact CD1-CE1 3.17Å; L280-F398 HydrophobicContact CD1-CZ 3.42Å; L280-F398 VanDerWaalsContact CD1-CZ 3.42Å; I283-F398 HydrophobicContact CG2-CE2 3.85Å; I283-F398 HydrophobicContact CG2-CZ 4.47Å; L284-F398 HydrophobicContact CD2-CD2 3.57Å; L284-F398 HydrophobicContact CD2-CE2 3.68Å; L284-F398 HydrophobicContact CD2-CG 4.09Å; L284-F398 HydrophobicContact CD2-CZ 4.32Å; L284-F398 HydrophobicContact CG-CE2 4.27Å; L284-F398 HydrophobicContact CG-CZ 4.5Å; L323-F398 PolarHBondContact O-N 2.91Å; Y324-F398 WeakPolarHBondContact CA-O 3.23Å; Y324-F398 HydrophobicContact CD2-CB 4.26Å; Y324-F398 HydrophobicContact CD2-CD1 4.02Å; Y324-F398 WeakPolarHBondContact CD2-O 3.25Å; Y324-F398 AromaticContact CE2-CD1 3.98Å; Y324-F398 HydrophobicContact CE2-CD1 3.98Å; A325-F398 PolarHBondContact N-O 2.52Å; F396-F398 HydrophobicContact CE1-CB 3.86Å; F396-F398 HydrophobicContact CZ-CB 3.92Å; F396-F398 AromaticContact CZ-CD2 3.92Å; F396-F398 HydrophobicContact CZ-CD2 3.92Å; F396-F398 HydrophobicContact CZ-CG 4.37Å; F398-F440 HydrophobicContact CE1-CE1 4.17Å; F398-F440 AromaticContact CE1-CZ 3.59Å; F398-F440 HydrophobicContact CE1-CZ 3.59Å; F398-F440 HydrophobicContact CE2-CZ 4.32Å; F398-F440 AromaticContact CZ-CE1 3.93Å; F398-F440 HydrophobicContact CZ-CE1 3.93Å; F398-F440 HydrophobicContact CZ-CE2 4.05Å; F398-F440 AromaticContact CZ-CZ 3.35Å; F398-F440 HydrophobicContact CZ-CZ 3.35Å
399	Q	98.7	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.9	-177.8	178.4	172.1	35.3	0	0	110	Y234 F235 L236 G237 A325 H378 V382 H401	Y234-Q399 HydrophobicContact CE2-CB 4.06Å; Y234-Q399 PolarHBondContact OH-OE1 2.89Å; F235-Q399 PolarHBondContact O-N 3.38Å; L236-Q399 HydrophobicContact CD1-CG 4.35Å; G237-Q399 WeakPolarHBondContact CA-O 3.41Å; G237-Q399 PolarHBondContact N-O 2.84Å; A325-Q399 HydrophobicContact CB-CG 4.47Å; A325-Q399 CarbonylContact O-C 3.54Å; A325-Q399 VanDerWaalsContact O-CA 3.32Å; A325-Q399 WeakPolarHBondContact O-CA 3.49Å; H378-Q399 PolarHBondContact CD2-NE2 3.28Å; H378-Q399 PolarHBondContact NE2-NE2 3.38Å; H378-Q399 PolarHBondContact O-NE2 3.12Å; V382-Q399 HydrophobicContact CG2-CB 4.21Å; V382-Q399 HydrophobicContact CG2-CG 4.43Å; Q399-H401 PolarHBondContact NE2-CE1 2.87Å; Q399-H401 PolarHBondContact NE2-NE2 3.08Å
400	I	98.2	Very high	93.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129	172.7	-170.8	166.8	0	0	0	110.4	G237 D239 T276 L280 A325 E326 H378 F440	G237-I400 WeakPolarHBondContact O-CA 3.39Å; D239-I400 HydrophobicContact CB-CD1 4.31Å; D239-I400 HydrophobicContact CB-CG1 4.5Å; T276-I400 HydrophobicContact CG2-CD1 4.06Å; L280-I400 HydrophobicContact CD1-CD1 4.4Å; L280-I400 HydrophobicContact CD2-CD1 4.16Å; A325-I400 PolarHBondContact O-N 2.81Å; E326-I400 WeakPolarHBondContact CA-O 3.25Å; E326-I400 HydrophobicContact CB-CG2 3.7Å; E326-I400 HydrophobicContact CG-CG2 3.75Å; H378-I400 PolarHBondContact CE1-O 2.61Å; H378-I400 VanDerWaalsContact CE1-O 3.3Å; I400-F440 HydrophobicContact CD1-CZ 4.41Å
401	H	97.6	Very high	93.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.8	176	-56.5	-104.8	0	0	0	110.1	G237 L238 D239 D327 Y375 H378 Q399	G237-H401 PolarHBondContact O-CD2 2.9Å; G237-H401 PolarHBondContact O-N 2.84Å; L238-H401 CarbonylContact C-O 3.54Å; L238-H401 WeakPolarHBondContact CA-O 3.26Å; L238-H401 HydrophobicContact CD2-CB 4.02Å; D239-H401 PolarHBondContact N-O 3.42Å; D327-H401 IonicContact OD2-ND1 3.73Å; Y375-H401 HydrophobicContact CD2-CB 4.19Å; Y375-H401 AromaticContact CD2-CE1 3.63Å; Y375-H401 AromaticContact CD2-CG 3.76Å; Y375-H401 AromaticContact CD2-ND1 3.25Å; Y375-H401 VanDerWaalsContact CD2-ND1 3.25Å; Y375-H401 WeakPolarHBondContact CD2-ND1 3.25Å; Y375-H401 HydrophobicContact CE2-CB 3.88Å; Y375-H401 AromaticContact CE2-CD2 3.66Å; Y375-H401 AromaticContact CE2-CE1 3.51Å; Y375-H401 AromaticContact CE2-CG 3.4Å; Y375-H401 VanDerWaalsContact CE2-CG 3.4Å; Y375-H401 AromaticContact CE2-ND1 3.32Å; Y375-H401 VanDerWaalsContact CE2-ND1 3.32Å; Y375-H401 WeakPolarHBondContact CE2-ND1 3.37Å; Y375-H401 AromaticContact CE2-NE2 3.74Å; H378-H401 AromaticContact CE1-ND1 3.93Å; H378-H401 AromaticContact CG-CE1 3.5Å; H378-H401 AromaticContact CG-ND1 3.65Å; H378-H401 AromaticContact ND1-CE1 3.49Å; H378-H401 PolarHBondContact ND1-CE1 2.84Å; H378-H401 AromaticContact ND1-CG 3.86Å; H378-H401 AromaticContact ND1-ND1 3.17Å; H378-H401 PolarHBondContact ND1-ND1 3.23Å; H378-H401 VanDerWaalsContact ND1-ND1 3.17Å; Q399-H401 PolarHBondContact NE2-CE1 2.87Å; Q399-H401 PolarHBondContact NE2-NE2 3.08Å
402	V	95.6	Very high	93.6	Very high	3 Å²	3	19 Å²	19	2%	0.018	9%	0.092	C	C	.	.			trans	-100.2	-43	-178.9	-174.1	0	0	0	0	110.1	D239 E326 D327 V328 I331 Y404 S405 H406	D239-V402 HydrophobicContact CB-CB 4.44Å; D239-V402 HydrophobicContact CB-CG1 4.38Å; D239-V402 HydrophobicContact CB-CG2 4.18Å; E326-V402 HydrophobicContact CG-CG2 4.29Å; D327-V402 WeakPolarHBondContact OD1-CA 3.37Å; D327-V402 VanDerWaalsContact OD1-CB 3.26Å; D327-V402 WeakPolarHBondContact OD1-CB 3.41Å; D327-V402 PolarHBondContact OD1-N 3.31Å; V328-V402 HydrophobicContact CB-CB 4.34Å; V328-V402 HydrophobicContact CB-CG1 4.43Å; V328-V402 HydrophobicContact CG2-CB 4.09Å; V328-V402 HydrophobicContact CG2-CG1 4.39Å; I331-V402 HydrophobicContact CD1-CG1 3.69Å; I331-V402 HydrophobicContact CG1-CG1 4.45Å; V402-Y404 PolarHBondContact O-N 3.39Å; V402-S405 PolarHBondContact O-N 3.11Å; V402-H406 HydrophobicContact CG1-CB 3.66Å; V402-H406 VanDerWaalsContact O-CB 3.26Å; V402-H406 WeakPolarHBondContact O-CB 3.39Å; V402-H406 PolarHBondContact O-N 2.99Å; V402-H406 VanDerWaalsContact O-N 3.11Å
403	G	92.6	Very high	93.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.3	-167.7	0	0	0	0	0	116.8	D327 N365 R411	D327-G403 PolarHBondContact OD1-N 3.3Å; D327-G403 VanDerWaalsContact OD1-N 3.15Å; N365-G403 VanDerWaalsContact ND2-CA 3.3Å; N365-G403 WeakPolarHBondContact ND2-CA 3.35Å; N365-G403 PolarHBondContact ND2-O 2.93Å; G403-R411 PolarHBondContact O-NH1 3.19Å
404	Y	92.5	Very high	94.1	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.016	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-15.1	-174.8	-89.4	-121.1	0	0	0	114.5	L129 L367 S373 Y375 V402 R411 V412 L414 A415	L129-Y404 WeakPolarHBondContact CD2-OH 3.4Å; L367-Y404 HydrophobicContact CD2-CD2 4.24Å; L367-Y404 HydrophobicContact CD2-CE2 3.89Å; S373-Y404 WeakPolarHBondContact CB-OH 3.25Å; Y375-Y404 WeakPolarHBondContact CB-OH 3.32Å; Y375-Y404 HydrophobicContact CD2-CD1 4.17Å; Y375-Y404 HydrophobicContact CD2-CD2 4.2Å; Y375-Y404 HydrophobicContact CD2-CE1 4.4Å; Y375-Y404 HydrophobicContact CD2-CE2 4.47Å; Y375-Y404 HydrophobicContact CD2-CG 4.06Å; Y375-Y404 HydrophobicContact CG-CD1 4.34Å; Y375-Y404 HydrophobicContact CG-CE1 4.13Å; Y375-Y404 HydrophobicContact CG-CE2 4.48Å; V402-Y404 PolarHBondContact O-N 3.39Å; Y404-R411 CarbonylContact O-C 3.49Å; Y404-R411 VanDerWaalsContact O-CB 3.29Å; Y404-R411 WeakPolarHBondContact O-CB 3.45Å; Y404-V412 WeakPolarHBondContact O-CA 3.47Å; Y404-V412 PolarHBondContact O-N 2.91Å; Y404-L414 HydrophobicContact CD1-CB 4.01Å; Y404-L414 HydrophobicContact CE1-CB 3.72Å; Y404-L414 HydrophobicContact CE1-CD1 4.45Å; Y404-A415 HydrophobicContact CD1-CB 4.3Å
405	S	90.4	Very high	94.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-27.2	-175.9	27	0	0	0	0	114.2	D239 S240 V402 D407 D408 F409	D239-S405 CarbonylContact O-C 3.51Å; D239-S405 WeakPolarHBondContact O-CB 3.2Å; D239-S405 PolarHBondContact O-OG 3.09Å; S240-S405 PolarHBondContact N-OG 3.31Å; V402-S405 PolarHBondContact O-N 3.11Å; S405-D407 PolarHBondContact O-N 2.79Å; S405-D408 CarbonylContact O-C 3.6Å; S405-F409 PolarHBondContact O-N 3.25Å
406	H	86.1	Confident	94.2	Very high	56 Å²	56	16.9 Å²	16.9	26%	0.259	8%	0.083	S	C	.	.	S	Bend	trans	-58.2	-50.7	-172.2	-179	-81.7	0	0	0	113	D239 V402	D239-H406 PolarHBondContact O-N 3.49Å; D239-H406 VanDerWaalsContact O-N 3.11Å; D239-H406 IonicContact OD1-CD2 3.67Å; D239-H406 IonicContact OD2-CD2 3.1Å; V402-H406 HydrophobicContact CG1-CB 3.66Å; V402-H406 VanDerWaalsContact O-CB 3.26Å; V402-H406 WeakPolarHBondContact O-CB 3.39Å; V402-H406 PolarHBondContact O-N 2.99Å; V402-H406 VanDerWaalsContact O-N 3.11Å
407	D	85.2	Confident	94.2	Very high	82 Å²	82	18.9 Å²	18.9	44%	0.439	10%	0.103	S	C	.	.	S	Bend	trans	-85.7	-28	-176.3	-54.3	-33.2	0	0	0	113.2	Y364 S405	Y364-D407 WeakPolarHBondContact CE1-OD2 3.24Å; S405-D407 PolarHBondContact O-N 2.79Å
408	D	88.9	Confident	94.1	Very high	37 Å²	37	20.2 Å²	20.2	20%	0.198	11%	0.112	C	C	.	.			trans	-146	107.6	178.7	-179.6	2.1	0	0	0	110	F126 S405 N410 R411	F126-D408 WeakPolarHBondContact CE2-OD2 3.29Å; S405-D408 CarbonylContact O-C 3.6Å; D408-N410 PolarHBondContact O-N 2.81Å; D408-N410 VanDerWaalsContact O-N 3.14Å; D408-N410 WeakPolarHBondContact OD1-CB 3.31Å; D408-N410 PolarHBondContact OD1-N 2.98Å; D408-R411 HydrophobicContact CB-CB 4.16Å; D408-R411 WeakPolarHBondContact O-CB 3.36Å; D408-R411 PolarHBondContact O-N 3.41Å; D408-R411 VanDerWaalsContact O-N 3.09Å
409	F	87.1	Confident	94.1	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.066	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.7	-179.5	78	-89.8	0	0	0	113.1	L122 I123 S405 V412 A445 V450	L122-F409 HydrophobicContact CB-CZ 4.33Å; L122-F409 WeakPolarHBondContact O-CZ 3.41Å; I123-F409 HydrophobicContact CD1-CE2 3.48Å; I123-F409 VanDerWaalsContact CD1-CE2 3.48Å; I123-F409 HydrophobicContact CD1-CZ 4.03Å; S405-F409 PolarHBondContact O-N 3.25Å; F409-V412 WeakPolarHBondContact O-CG1 3Å; F409-A445 HydrophobicContact CB-CB 4.15Å; F409-V450 HydrophobicContact CD1-CG2 4.34Å; F409-V450 HydrophobicContact CE1-CB 4.4Å; F409-V450 HydrophobicContact CE1-CG2 3.65Å; F409-V450 HydrophobicContact CE2-CG2 4.05Å; F409-V450 HydrophobicContact CZ-CG2 3.47Å; F409-V450 VanDerWaalsContact CZ-CG2 3.47Å
410	N	92.8	Very high	94.1	Very high	2 Å²	2	21 Å²	21	1%	0.011	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-28.3	175.9	-69.8	-71.8	0	0	0	112.4	L122 H124 K249 D408 V412 E413	L122-N410 PolarHBondContact O-ND2 2.86Å; H124-N410 PolarHBondContact CE1-ND2 2.87Å; H124-N410 PolarHBondContact N-OD1 2.93Å; H124-N410 VanDerWaalsContact N-OD1 3.17Å; H124-N410 PolarHBondContact ND1-ND2 3.25Å; H124-N410 PolarHBondContact O-OD1 3.25Å; H124-N410 VanDerWaalsContact O-OD1 3.07Å; K249-N410 WeakPolarHBondContact CE-OD1 3.45Å; K249-N410 PolarHBondContact NZ-OD1 3.18Å; K249-N410 VanDerWaalsContact NZ-OD1 3.11Å; D408-N410 PolarHBondContact O-N 2.81Å; D408-N410 VanDerWaalsContact O-N 3.14Å; D408-N410 WeakPolarHBondContact OD1-CB 3.31Å; D408-N410 PolarHBondContact OD1-N 2.98Å; N410-V412 PolarHBondContact O-N 2.85Å; N410-V412 VanDerWaalsContact O-N 3.17Å; N410-E413 WeakPolarHBondContact O-CB 3.26Å; N410-E413 PolarHBondContact O-N 2.89Å
411	R	93.5	Very high	94.1	Very high	41 Å²	41	26.2 Å²	26.2	16%	0.155	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.1	179.6	-175.8	-169.2	-60.2	170	2.1	112.5	F126 N365 G403 Y404 D408 E413 L414	F126-R411 HydrophobicContact CD1-CG 4.39Å; F126-R411 HydrophobicContact CD2-CB 4.03Å; F126-R411 HydrophobicContact CE1-CG 4.14Å; F126-R411 HydrophobicContact CE2-CB 3.99Å; F126-R411 HydrophobicContact CE2-CG 4.27Å; F126-R411 HydrophobicContact CG-CB 4.37Å; F126-R411 HydrophobicContact CZ-CB 4.31Å; F126-R411 HydrophobicContact CZ-CG 4.07Å; N365-R411 PolarHBondContact ND2-NH1 3.36Å; G403-R411 PolarHBondContact O-NH1 3.19Å; Y404-R411 CarbonylContact O-C 3.49Å; Y404-R411 VanDerWaalsContact O-CB 3.29Å; Y404-R411 WeakPolarHBondContact O-CB 3.45Å; D408-R411 HydrophobicContact CB-CB 4.16Å; D408-R411 WeakPolarHBondContact O-CB 3.36Å; D408-R411 PolarHBondContact O-N 3.41Å; D408-R411 VanDerWaalsContact O-N 3.09Å; R411-E413 PolarHBondContact O-N 2.79Å; R411-L414 HydrophobicContact CG-CD1 3.97Å; R411-L414 VanDerWaalsContact O-CB 3.32Å; R411-L414 WeakPolarHBondContact O-CB 2.97Å; R411-L414 WeakPolarHBondContact O-CG 3.43Å; R411-L414 PolarHBondContact O-N 2.67Å
412	V	95.6	Very high	94.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-59.3	-20.5	178.9	82.6	0	0	0	0	113.2	L238 V241 K249 L250 Y404 F409 N410 L414 A415	L238-V412 HydrophobicContact CD1-CG2 4.2Å; V241-V412 HydrophobicContact CG2-CG2 3.83Å; K249-V412 HydrophobicContact CB-CG1 3.54Å; K249-V412 HydrophobicContact CG-CG1 4.06Å; L250-V412 HydrophobicContact CD1-CG1 3.86Å; L250-V412 HydrophobicContact CD1-CG2 3.89Å; L250-V412 HydrophobicContact CD2-CG2 4.43Å; Y404-V412 WeakPolarHBondContact O-CA 3.47Å; Y404-V412 PolarHBondContact O-N 2.91Å; F409-V412 WeakPolarHBondContact O-CG1 3Å; N410-V412 PolarHBondContact O-N 2.85Å; N410-V412 VanDerWaalsContact O-N 3.17Å; V412-L414 PolarHBondContact O-N 3.12Å; V412-A415 VanDerWaalsContact O-CB 3.29Å; V412-A415 WeakPolarHBondContact O-CB 3.33Å; V412-A415 PolarHBondContact O-N 3.44Å
413	E	96.1	Very high	94.3	Very high	58 Å²	58	26.1 Å²	26.1	27%	0.271	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30.8	171.9	-170.3	171.7	-163.5	0	0	112.5	S125 F126 K249 N410 R411 A415 D416	S125-E413 WeakPolarHBondContact CA-OE2 3.46Å; S125-E413 PolarHBondContact OG-OE1 3.07Å; F126-E413 PolarHBondContact N-OE2 3.23Å; K249-E413 HydrophobicContact CD-CB 4.26Å; K249-E413 IonicContact NZ-OE2 3.54Å; K249-E413 PolarHBondContact NZ-OE2 2.82Å; K249-E413 VanDerWaalsContact NZ-OE2 3.1Å; K249-E413 WeakPolarHBondContact O-CA 3.3Å; N410-E413 WeakPolarHBondContact O-CB 3.26Å; N410-E413 PolarHBondContact O-N 2.89Å; R411-E413 PolarHBondContact O-N 2.79Å; E413-A415 PolarHBondContact O-N 2.95Å; E413-D416 WeakPolarHBondContact O-CB 3.09Å; E413-D416 PolarHBondContact O-N 3.14Å
414	L	96.1	Very high	94.6	Very high	33 Å²	33	30 Å²	30	17%	0.173	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-66.7	-18.5	176.1	-63.2	179.9	0	0	0	113.5	F126 L129 Y404 R411 V412 P418	F126-L414 HydrophobicContact CD1-CD1 3.54Å; F126-L414 HydrophobicContact CD1-CD2 4.14Å; F126-L414 HydrophobicContact CD1-CG 3.83Å; F126-L414 HydrophobicContact CE1-CD1 3.7Å; F126-L414 HydrophobicContact CE1-CG 4.48Å; L129-L414 HydrophobicContact CB-CD1 4.07Å; Y404-L414 HydrophobicContact CD1-CB 4.01Å; Y404-L414 HydrophobicContact CE1-CB 3.72Å; Y404-L414 HydrophobicContact CE1-CD1 4.45Å; R411-L414 HydrophobicContact CG-CD1 3.97Å; R411-L414 VanDerWaalsContact O-CB 3.32Å; R411-L414 WeakPolarHBondContact O-CB 2.97Å; R411-L414 WeakPolarHBondContact O-CG 3.43Å; R411-L414 PolarHBondContact O-N 2.67Å; V412-L414 PolarHBondContact O-N 3.12Å; L414-P418 WeakPolarHBondContact O-CD 3.29Å
415	A	97.2	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-82	-18.3	177.3	0	0	0	0	0	112.8	L250 Y375 Y404 V412 E413 T419	L250-A415 HydrophobicContact CD2-CB 4.25Å; Y375-A415 HydrophobicContact CD1-CB 4.33Å; Y375-A415 HydrophobicContact CD2-CB 4.33Å; Y375-A415 HydrophobicContact CE1-CB 3.8Å; Y375-A415 HydrophobicContact CE2-CB 3.83Å; Y404-A415 HydrophobicContact CD1-CB 4.3Å; V412-A415 VanDerWaalsContact O-CB 3.29Å; V412-A415 WeakPolarHBondContact O-CB 3.33Å; V412-A415 PolarHBondContact O-N 3.44Å; E413-A415 PolarHBondContact O-N 2.95Å; A415-T419 VanDerWaalsContact O-CB 3.26Å; A415-T419 WeakPolarHBondContact O-CB 3.21Å; A415-T419 PolarHBondContact O-N 3.41Å; A415-T419 PolarHBondContact O-OG1 3.43Å
416	D	98.1	Very high	95.3	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.102	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-58.5	-168.8	-164.2	17.3	0	0	0	112.4	L250 K251 E252 T253 E413 T419 V420	L250-D416 VanDerWaalsContact CA-CG 3.4Å; L250-D416 WeakPolarHBondContact CA-OD1 3.23Å; L250-D416 HydrophobicContact CB-CB 4.46Å; K251-D416 PolarHBondContact N-OD2 3.03Å; E252-D416 PolarHBondContact N-OD1 3.09Å; E252-D416 PolarHBondContact N-OD2 3.2Å; T253-D416 VanDerWaalsContact CB-OD1 3.25Å; T253-D416 WeakPolarHBondContact CB-OD1 3.35Å; T253-D416 PolarHBondContact N-OD1 3.14Å; T253-D416 PolarHBondContact OG1-O 3.17Å; T253-D416 VanDerWaalsContact OG1-O 3.06Å; T253-D416 PolarHBondContact OG1-OD1 2.95Å; E413-D416 WeakPolarHBondContact O-CB 3.09Å; E413-D416 PolarHBondContact O-N 3.14Å; D416-T419 PolarHBondContact O-N 3.5Å; D416-V420 WeakPolarHBondContact O-CG2 3.43Å; D416-V420 PolarHBondContact O-N 3.3Å; D416-V420 VanDerWaalsContact O-N 3.08Å
417	G	97.3	Very high	95.8	Very high	42 Å²	42	33.4 Å²	33.4	43%	0.433	17%	0.173	S	C	.	.	H	α-helix	trans	-57.9	-54.9	178.8	0	0	0	0	0	113.2	T419 V420 E421	G417-T419 VanDerWaalsContact C-N 3.28Å; G417-T419 PolarHBondContact O-N 3.15Å; G417-V420 WeakPolarHBondContact O-CB 3.32Å; G417-V420 PolarHBondContact O-N 2.94Å; G417-E421 PolarHBondContact O-N 3.42Å
418	P	97.7	Very high	96.4	Very high	29 Å²	29	38.6 Å²	38.6	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-36.5	177.5	-28.7	36.8	0	0	0	114.3	Y375 Q376 L379 L414 E421 H422	Y375-P418 HydrophobicContact CD1-CB 3.75Å; Y375-P418 HydrophobicContact CD1-CG 4.4Å; Y375-P418 HydrophobicContact CE1-CB 3.91Å; Q376-P418 HydrophobicContact CG-CB 4.06Å; Q376-P418 HydrophobicContact CG-CG 4.32Å; L379-P418 HydrophobicContact CD1-CB 4.18Å; L414-P418 WeakPolarHBondContact O-CD 3.29Å; P418-E421 PolarHBondContact O-N 3.22Å; P418-H422 WeakPolarHBondContact O-CB 3.37Å; P418-H422 PolarHBondContact O-N 3.37Å
419	T	98.6	Very high	96.8	Very high	2 Å²	2	42 Å²	42	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177.1	-53.2	0	0	0	0	111.5	L236 T253 Y375 A415 D416 G417 E421 H422 L423	L236-T419 HydrophobicContact CD2-CG2 3.95Å; T253-T419 HydrophobicContact CG2-CG2 3.51Å; Y375-T419 PolarHBondContact OH-OG1 3.46Å; A415-T419 VanDerWaalsContact O-CB 3.26Å; A415-T419 WeakPolarHBondContact O-CB 3.21Å; A415-T419 PolarHBondContact O-N 3.41Å; A415-T419 PolarHBondContact O-OG1 3.43Å; D416-T419 PolarHBondContact O-N 3.5Å; G417-T419 VanDerWaalsContact C-N 3.28Å; G417-T419 PolarHBondContact O-N 3.15Å; T419-E421 VanDerWaalsContact C-N 3.35Å; T419-E421 PolarHBondContact O-N 3.42Å; T419-H422 WeakPolarHBondContact O-CB 3.18Å; T419-H422 PolarHBondContact O-N 2.96Å; T419-L423 HydrophobicContact CG2-CD1 4.4Å; T419-L423 WeakPolarHBondContact O-CG 3.37Å; T419-L423 PolarHBondContact O-N 2.71Å
420	V	98.8	Very high	97.3	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-46	174.3	170.8	0	0	0	0	111	E252 H256 D416 G417 H422 L423 K424	E252-V420 HydrophobicContact CB-CG2 3.87Å; H256-V420 HydrophobicContact CB-CG2 4.49Å; D416-V420 WeakPolarHBondContact O-CG2 3.43Å; D416-V420 PolarHBondContact O-N 3.3Å; D416-V420 VanDerWaalsContact O-N 3.08Å; G417-V420 WeakPolarHBondContact O-CB 3.32Å; G417-V420 PolarHBondContact O-N 2.94Å; V420-H422 VanDerWaalsContact C-N 3.29Å; V420-H422 PolarHBondContact O-N 3.44Å; V420-L423 PolarHBondContact O-N 2.61Å; V420-K424 HydrophobicContact CG1-CD 4.16Å; V420-K424 VanDerWaalsContact CG1-CE 3.49Å; V420-K424 HydrophobicContact CG1-CG 4.49Å; V420-K424 WeakPolarHBondContact O-CG 3.33Å; V420-K424 PolarHBondContact O-N 3.31Å
421	E	98.7	Very high	97.6	Very high	110 Å²	110	43.1 Å²	43.1	51%	0.514	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-36.1	179	-66.6	-52	123.4	0	0	112.2	G417 P418 T419 K424 F425	G417-E421 PolarHBondContact O-N 3.42Å; P418-E421 PolarHBondContact O-N 3.22Å; T419-E421 VanDerWaalsContact C-N 3.35Å; T419-E421 PolarHBondContact O-N 3.42Å; E421-K424 PolarHBondContact O-N 2.89Å; E421-K424 IonicContact OE1-NZ 3.48Å; E421-K424 PolarHBondContact OE1-NZ 3.09Å; E421-F425 WeakPolarHBondContact O-CB 3.46Å; E421-F425 PolarHBondContact O-N 3.41Å
422	H	98.7	Very high	97.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-45.3	173.3	-171.9	73.8	0	0	0	112.6	Y234 L379 E383 P418 T419 V420 K424 F425 F426	Y234-H422 AromaticContact CE1-NE2 3.36Å; Y234-H422 WeakPolarHBondContact CE1-NE2 3.48Å; Y234-H422 AromaticContact CZ-NE2 3.49Å; Y234-H422 PolarHBondContact OH-NE2 3.05Å; L379-H422 HydrophobicContact CD1-CB 4.02Å; L379-H422 HydrophobicContact CD2-CB 4.27Å; L379-H422 PolarHBondContact O-CE1 3.26Å; E383-H422 VanDerWaalsContact CG-CE1 3.46Å; E383-H422 WeakPolarHBondContact CG-CE1 3.34Å; E383-H422 WeakPolarHBondContact CG-ND1 3.34Å; E383-H422 IonicContact OE1-CE1 2.6Å; E383-H422 IonicContact OE1-CG 2.76Å; E383-H422 IonicContact OE1-ND1 2.86Å; E383-H422 PolarHBondContact OE1-ND1 3.16Å; P418-H422 WeakPolarHBondContact O-CB 3.37Å; P418-H422 PolarHBondContact O-N 3.37Å; T419-H422 WeakPolarHBondContact O-CB 3.18Å; T419-H422 PolarHBondContact O-N 2.96Å; V420-H422 VanDerWaalsContact C-N 3.29Å; V420-H422 PolarHBondContact O-N 3.44Å; H422-K424 VanDerWaalsContact C-N 3.34Å; H422-K424 PolarHBondContact O-N 2.86Å; H422-F425 WeakPolarHBondContact O-CB 3.35Å; H422-F425 PolarHBondContact O-N 3.2Å; H422-F426 AromaticContact CE1-CE2 3.48Å; H422-F426 VanDerWaalsContact CE1-CE2 3.48Å; H422-F426 WeakPolarHBondContact CE1-CE2 3.36Å; H422-F426 AromaticContact NE2-CD2 3.9Å; H422-F426 AromaticContact NE2-CE2 3.35Å; H422-F426 VanDerWaalsContact NE2-CE2 3.35Å; H422-F426 WeakPolarHBondContact NE2-CE2 3.4Å; H422-F426 WeakPolarHBondContact O-CD2 3.5Å; H422-F426 PolarHBondContact O-N 3.17Å; H422-F426 VanDerWaalsContact O-N 3.11Å
423	L	98.8	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-43	175.3	-70.8	170.7	0	0	0	111.6	T253 I257 L261 T419 V420 F425 F426 Q427 F437 V439 I468	T253-L423 HydrophobicContact CG2-CD1 4.15Å; I257-L423 HydrophobicContact CD1-CD1 4.33Å; I257-L423 HydrophobicContact CG1-CD1 3.77Å; L261-L423 HydrophobicContact CD1-CB 4.15Å; L261-L423 HydrophobicContact CD1-CD1 4.49Å; L261-L423 HydrophobicContact CD1-CD2 4.11Å; L261-L423 HydrophobicContact CD1-CG 4.49Å; T419-L423 HydrophobicContact CG2-CD1 4.4Å; T419-L423 WeakPolarHBondContact O-CG 3.37Å; T419-L423 PolarHBondContact O-N 2.71Å; V420-L423 PolarHBondContact O-N 2.61Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 3.14Å; L423-F426 PolarHBondContact O-N 3.12Å; L423-Q427 PolarHBondContact O-N 2.75Å; L423-F437 HydrophobicContact CD2-CE1 4.09Å; L423-F437 HydrophobicContact CD2-CE2 3.9Å; L423-F437 HydrophobicContact CD2-CZ 3.68Å; L423-V439 HydrophobicContact CD2-CG2 4.48Å; L423-I468 HydrophobicContact CD2-CD1 4.39Å
424	K	98.7	Very high	97.8	Very high	83 Å²	83	43.4 Å²	43.4	36%	0.361	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-37.3	174	-72.7	174.9	-174.6	165.3	0	112.4	V420 E421 H422 F426 Q427 K428	V420-K424 HydrophobicContact CG1-CD 4.16Å; V420-K424 VanDerWaalsContact CG1-CE 3.49Å; V420-K424 HydrophobicContact CG1-CG 4.49Å; V420-K424 WeakPolarHBondContact O-CG 3.33Å; V420-K424 PolarHBondContact O-N 3.31Å; E421-K424 PolarHBondContact O-N 2.89Å; E421-K424 IonicContact OE1-NZ 3.48Å; E421-K424 PolarHBondContact OE1-NZ 3.09Å; H422-K424 VanDerWaalsContact C-N 3.34Å; H422-K424 PolarHBondContact O-N 2.86Å; K424-F426 VanDerWaalsContact C-N 3.35Å; K424-Q427 PolarHBondContact O-N 2.89Å; K424-K428 VanDerWaalsContact O-CB 3.23Å; K424-K428 WeakPolarHBondContact O-CB 3.41Å; K424-K428 PolarHBondContact O-N 2.9Å
425	F	98.7	Very high	97.9	Very high	42 Å²	42	41.8 Å²	41.8	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-48.8	174	168.8	-89.8	0	0	0	110.6	E383 E421 H422 L423 Q427 K428 K429 F431	E383-F425 HydrophobicContact CB-CD1 4.15Å; E383-F425 HydrophobicContact CB-CE1 3.59Å; E383-F425 HydrophobicContact CB-CE2 4.43Å; E383-F425 HydrophobicContact CB-CZ 3.75Å; E383-F425 HydrophobicContact CG-CD1 3.69Å; E383-F425 HydrophobicContact CG-CE1 3.68Å; E383-F425 HydrophobicContact CG-CG 4.23Å; E383-F425 HydrophobicContact CG-CZ 4.19Å; E421-F425 WeakPolarHBondContact O-CB 3.46Å; E421-F425 PolarHBondContact O-N 3.41Å; H422-F425 WeakPolarHBondContact O-CB 3.35Å; H422-F425 PolarHBondContact O-N 3.2Å; L423-F425 VanDerWaalsContact C-N 3.33Å; L423-F425 PolarHBondContact O-N 3.14Å; F425-Q427 VanDerWaalsContact C-N 3.31Å; F425-Q427 PolarHBondContact O-N 2.83Å; F425-K428 PolarHBondContact O-N 2.87Å; F425-K429 HydrophobicContact CD2-CG 3.98Å; F425-K429 HydrophobicContact CE1-CG 4.32Å; F425-K429 HydrophobicContact CE2-CD 4.36Å; F425-K429 HydrophobicContact CE2-CG 3.72Å; F425-K429 HydrophobicContact CG-CG 4.4Å; F425-K429 HydrophobicContact CZ-CG 3.9Å; F425-K429 VanDerWaalsContact O-CB 3.28Å; F425-K429 WeakPolarHBondContact O-CB 3.39Å; F425-K429 WeakPolarHBondContact O-CG 3.43Å; F425-K429 PolarHBondContact O-N 3.08Å; F425-F431 HydrophobicContact CD1-CD2 4.4Å; F425-F431 HydrophobicContact CD1-CE2 4.5Å; F425-F431 AromaticContact CE1-CD2 3.82Å; F425-F431 HydrophobicContact CE1-CD2 3.82Å; F425-F431 AromaticContact CE1-CE2 3.55Å; F425-F431 HydrophobicContact CE1-CE2 3.55Å; F425-F431 HydrophobicContact CZ-CD2 4.46Å; F425-F431 AromaticContact CZ-CE2 3.79Å; F425-F431 HydrophobicContact CZ-CE2 3.79Å
426	F	98.6	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-38.2	177.3	-89.2	-100.9	0	0	0	112.6	Y234 V382 F386 H422 L423 K424 G430 F431 L432 F437	Y234-F426 HydrophobicContact CD1-CD1 4.49Å; Y234-F426 AromaticContact CD1-CE1 3.74Å; Y234-F426 HydrophobicContact CD1-CE1 3.74Å; Y234-F426 HydrophobicContact CD1-CE2 4.22Å; Y234-F426 AromaticContact CD1-CZ 3.58Å; Y234-F426 HydrophobicContact CD1-CZ 3.58Å; Y234-F426 HydrophobicContact CE1-CD2 4.48Å; Y234-F426 HydrophobicContact CE1-CE1 4.08Å; Y234-F426 AromaticContact CE1-CE2 3.71Å; Y234-F426 HydrophobicContact CE1-CE2 3.71Å; Y234-F426 AromaticContact CE1-CZ 3.46Å; Y234-F426 HydrophobicContact CE1-CZ 3.46Å; Y234-F426 VanDerWaalsContact CE1-CZ 3.46Å; V382-F426 HydrophobicContact CG1-CZ 4.3Å; F386-F426 HydrophobicContact CB-CE1 4.5Å; F386-F426 HydrophobicContact CB-CZ 4.42Å; F386-F426 AromaticContact CD1-CE1 3.74Å; F386-F426 HydrophobicContact CD1-CE1 3.74Å; F386-F426 HydrophobicContact CD1-CZ 4.33Å; F386-F426 AromaticContact CD2-CE1 3.81Å; F386-F426 HydrophobicContact CD2-CE1 3.81Å; F386-F426 AromaticContact CD2-CZ 3.6Å; F386-F426 HydrophobicContact CD2-CZ 3.6Å; F386-F426 AromaticContact CE1-CE1 3.81Å; F386-F426 HydrophobicContact CE1-CE1 3.81Å; F386-F426 AromaticContact CE2-CE1 3.87Å; F386-F426 HydrophobicContact CE2-CE1 3.87Å; F386-F426 AromaticContact CE2-CZ 3.85Å; F386-F426 HydrophobicContact CE2-CZ 3.85Å; F386-F426 AromaticContact CG-CE1 3.74Å; F386-F426 HydrophobicContact CG-CE1 3.74Å; F386-F426 AromaticContact CG-CZ 3.86Å; F386-F426 HydrophobicContact CG-CZ 3.86Å; F386-F426 AromaticContact CZ-CE1 3.87Å; F386-F426 HydrophobicContact CZ-CE1 3.87Å; F386-F426 HydrophobicContact CZ-CZ 4.33Å; H422-F426 AromaticContact CE1-CE2 3.48Å; H422-F426 VanDerWaalsContact CE1-CE2 3.48Å; H422-F426 WeakPolarHBondContact CE1-CE2 3.36Å; H422-F426 AromaticContact NE2-CD2 3.9Å; H422-F426 AromaticContact NE2-CE2 3.35Å; H422-F426 VanDerWaalsContact NE2-CE2 3.35Å; H422-F426 WeakPolarHBondContact NE2-CE2 3.4Å; H422-F426 WeakPolarHBondContact O-CD2 3.5Å; H422-F426 PolarHBondContact O-N 3.17Å; H422-F426 VanDerWaalsContact O-N 3.11Å; L423-F426 PolarHBondContact O-N 3.12Å; K424-F426 VanDerWaalsContact C-N 3.35Å; F426-G430 PolarHBondContact O-N 2.98Å; F426-F431 HydrophobicContact CB-CB 4.42Å; F426-F431 HydrophobicContact CD1-CB 3.49Å; F426-F431 VanDerWaalsContact CD1-CB 3.49Å; F426-F431 HydrophobicContact CD1-CD2 4.33Å; F426-F431 HydrophobicContact CD1-CG 4.33Å; F426-F431 HydrophobicContact CE1-CB 4.04Å; F426-F431 HydrophobicContact CG-CB 4.21Å; F426-F431 PolarHBondContact O-N 2.84Å; F426-L432 HydrophobicContact CB-CD2 3.88Å; F426-L432 HydrophobicContact CB-CG 3.94Å; F426-L432 PolarHBondContact O-N 3.19Å; F426-F437 HydrophobicContact CB-CE2 4.34Å; F426-F437 HydrophobicContact CD1-CD2 4.16Å; F426-F437 HydrophobicContact CD1-CE2 4.01Å; F426-F437 HydrophobicContact CD2-CE2 4.06Å; F426-F437 HydrophobicContact CE1-CE2 4.34Å; F426-F437 HydrophobicContact CE2-CE2 4.4Å; F426-F437 HydrophobicContact CG-CD2 4.35Å; F426-F437 AromaticContact CG-CE2 3.87Å; F426-F437 HydrophobicContact CG-CE2 3.87Å
427	Q	97.6	Very high	98	Very high	92 Å²	92	40.9 Å²	40.9	43%	0.43	21%	0.21	S	C	.	.	H	α-helix	trans	-67.8	-54.2	175.8	-168.9	-176.7	32.8	0	0	111.6	L261 L423 K424 F425 K429 G430 L432	L261-Q427 HydrophobicContact CD2-CG 4.37Å; L423-Q427 PolarHBondContact O-N 2.75Å; K424-Q427 PolarHBondContact O-N 2.89Å; F425-Q427 VanDerWaalsContact C-N 3.31Å; F425-Q427 PolarHBondContact O-N 2.83Å; Q427-K429 PolarHBondContact O-N 3.27Å; Q427-G430 WeakPolarHBondContact O-CA 3.49Å; Q427-G430 PolarHBondContact O-N 3.01Å; Q427-L432 HydrophobicContact CB-CD1 3.77Å; Q427-L432 HydrophobicContact CG-CD1 4.19Å
428	K	98	Very high	98.1	Very high	190 Å²	190	38.9 Å²	38.9	83%	0.826	19%	0.19	S	C	*	.	H	α-helix	trans	-63	-39.6	-176.4	-179.2	179.1	179.1	179.5	0	112.5	K424 F425 G430	K424-K428 VanDerWaalsContact O-CB 3.23Å; K424-K428 WeakPolarHBondContact O-CB 3.41Å; K424-K428 PolarHBondContact O-N 2.9Å; F425-K428 PolarHBondContact O-N 2.87Å; K428-G430 PolarHBondContact O-N 3.29Å
429	K	97.5	Very high	98.2	Very high	110 Å²	110	37.6 Å²	37.6	48%	0.478	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9	174.3	-67	-68.7	-173	171.7	0	111.9	R391 F425 Q427 F431	R391-K429 PolarHBondContact NH2-O 3.5Å; F425-K429 HydrophobicContact CD2-CG 3.98Å; F425-K429 HydrophobicContact CE1-CG 4.32Å; F425-K429 HydrophobicContact CE2-CD 4.36Å; F425-K429 HydrophobicContact CE2-CG 3.72Å; F425-K429 HydrophobicContact CG-CG 4.4Å; F425-K429 HydrophobicContact CZ-CG 3.9Å; F425-K429 VanDerWaalsContact O-CB 3.28Å; F425-K429 WeakPolarHBondContact O-CB 3.39Å; F425-K429 WeakPolarHBondContact O-CG 3.43Å; F425-K429 PolarHBondContact O-N 3.08Å; Q427-K429 PolarHBondContact O-N 3.27Å; K429-F431 VanDerWaalsContact C-N 3.3Å; K429-F431 HydrophobicContact CB-CD2 3.53Å; K429-F431 HydrophobicContact CB-CE2 3.47Å; K429-F431 VanDerWaalsContact CB-CE2 3.47Å; K429-F431 HydrophobicContact CB-CG 4.21Å; K429-F431 HydrophobicContact CB-CZ 4.11Å; K429-F431 HydrophobicContact CG-CD2 4.33Å; K429-F431 HydrophobicContact CG-CE2 3.92Å; K429-F431 PolarHBondContact O-N 2.85Å
430	G	97.2	Very high	98.2	Very high	28 Å²	28	37.6 Å²	37.6	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	21.5	-178.2	0	0	0	0	0	113.4	R391 F426 Q427 K428 L432 N433	R391-G430 PolarHBondContact NH1-O 2.8Å; F426-G430 PolarHBondContact O-N 2.98Å; Q427-G430 WeakPolarHBondContact O-CA 3.49Å; Q427-G430 PolarHBondContact O-N 3.01Å; K428-G430 PolarHBondContact O-N 3.29Å; G430-L432 VanDerWaalsContact C-N 3.35Å; G430-N433 PolarHBondContact O-N 2.92Å
431	F	97.9	Very high	98.1	Very high	11 Å²	11	37 Å²	37	5%	0.048	18%	0.177	C	C	.	.			trans	-71.7	-30	174.4	-66.4	-49.1	0	0	0	112	F386 R391 F425 F426 K429 N433 D434 T435	F386-F431 HydrophobicContact CB-CD1 4.27Å; F386-F431 HydrophobicContact CB-CD2 4.06Å; F386-F431 HydrophobicContact CB-CE1 4.14Å; F386-F431 HydrophobicContact CB-CE2 3.91Å; F386-F431 HydrophobicContact CB-CG 4.26Å; F386-F431 HydrophobicContact CB-CZ 3.97Å; F386-F431 HydrophobicContact CD1-CB 4.29Å; F386-F431 HydrophobicContact CD1-CD1 4.17Å; F386-F431 HydrophobicContact CD1-CG 4.17Å; F386-F431 VanDerWaalsContact O-CE1 3.29Å; F386-F431 WeakPolarHBondContact O-CE1 3.19Å; F386-F431 WeakPolarHBondContact O-CZ 3.44Å; R391-F431 VanDerWaalsContact CZ-CD1 3.48Å; R391-F431 VanDerWaalsContact NH1-CD1 3.3Å; F425-F431 HydrophobicContact CD1-CD2 4.4Å; F425-F431 HydrophobicContact CD1-CE2 4.5Å; F425-F431 AromaticContact CE1-CD2 3.82Å; F425-F431 HydrophobicContact CE1-CD2 3.82Å; F425-F431 AromaticContact CE1-CE2 3.55Å; F425-F431 HydrophobicContact CE1-CE2 3.55Å; F425-F431 HydrophobicContact CZ-CD2 4.46Å; F425-F431 AromaticContact CZ-CE2 3.79Å; F425-F431 HydrophobicContact CZ-CE2 3.79Å; F426-F431 HydrophobicContact CB-CB 4.42Å; F426-F431 HydrophobicContact CD1-CB 3.49Å; F426-F431 VanDerWaalsContact CD1-CB 3.49Å; F426-F431 HydrophobicContact CD1-CD2 4.33Å; F426-F431 HydrophobicContact CD1-CG 4.33Å; F426-F431 HydrophobicContact CE1-CB 4.04Å; F426-F431 HydrophobicContact CG-CB 4.21Å; F426-F431 PolarHBondContact O-N 2.84Å; K429-F431 VanDerWaalsContact C-N 3.3Å; K429-F431 HydrophobicContact CB-CD2 3.53Å; K429-F431 HydrophobicContact CB-CE2 3.47Å; K429-F431 VanDerWaalsContact CB-CE2 3.47Å; K429-F431 HydrophobicContact CB-CG 4.21Å; K429-F431 HydrophobicContact CB-CZ 4.11Å; K429-F431 HydrophobicContact CG-CD2 4.33Å; K429-F431 HydrophobicContact CG-CE2 3.92Å; K429-F431 PolarHBondContact O-N 2.85Å; F431-N433 PolarHBondContact O-N 2.89Å; F431-N433 VanDerWaalsContact O-N 3.15Å; F431-D434 PolarHBondContact O-N 2.94Å; F431-T435 WeakPolarHBondContact O-CB 3.42Å; F431-T435 PolarHBondContact O-OG1 3.12Å
432	L	97.7	Very high	98	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.073	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23	174.4	-66.2	-176.3	0	0	0	113.3	L261 F426 Q427 G430 D434 F437 P470	L261-L432 HydrophobicContact CD1-CD1 4.19Å; L261-L432 HydrophobicContact CD2-CD1 3.64Å; F426-L432 HydrophobicContact CB-CD2 3.88Å; F426-L432 HydrophobicContact CB-CG 3.94Å; F426-L432 PolarHBondContact O-N 3.19Å; Q427-L432 HydrophobicContact CB-CD1 3.77Å; Q427-L432 HydrophobicContact CG-CD1 4.19Å; G430-L432 VanDerWaalsContact C-N 3.35Å; L432-D434 PolarHBondContact O-N 3.4Å; L432-D434 VanDerWaalsContact O-N 3.14Å; L432-F437 HydrophobicContact CD2-CB 4.32Å; L432-F437 HydrophobicContact CD2-CD2 3.68Å; L432-F437 HydrophobicContact CD2-CE2 4.49Å; L432-F437 HydrophobicContact CD2-CG 4.43Å; L432-P470 WeakPolarHBondContact O-CA 3.32Å
433	N	96.6	Very high	97.7	Very high	73 Å²	73	32.2 Å²	32.2	39%	0.39	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-67	-14.5	-179.9	-164.6	64.3	0	0	0	113.5	G430 F431 P470 W472	G430-N433 PolarHBondContact O-N 2.92Å; F431-N433 PolarHBondContact O-N 2.89Å; F431-N433 VanDerWaalsContact O-N 3.15Å; N433-P470 WeakPolarHBondContact O-CB 3.08Å; N433-W472 PolarHBondContact O-NE1 3.28Å; N433-W472 VanDerWaalsContact OD1-CD1 3.31Å
434	D	96	Very high	97.3	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.102	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-133.5	15.6	-177.2	-50.8	-65.5	0	0	0	112.5	R229 L231 N232 R391 F431 L432	R229-D434 IonicContact CZ-OD1 2.7Å; R229-D434 IonicContact CZ-OD2 2.64Å; R229-D434 IonicContact NH2-OD1 3.52Å; R229-D434 PolarHBondContact NH2-OD1 2.63Å; R229-D434 IonicContact NH2-OD2 3.14Å; R229-D434 PolarHBondContact NH2-OD2 3.16Å; L231-D434 CarbonylContact C-O 3.47Å; N232-D434 PolarHBondContact N-O 2.67Å; R391-D434 IonicContact NH1-OD2 3.15Å; F431-D434 PolarHBondContact O-N 2.94Å; L432-D434 PolarHBondContact O-N 3.4Å; L432-D434 VanDerWaalsContact O-N 3.14Å
435	T	98.5	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.5	-170	-52.3	0	0	0	0	111	N232 F386 F431 F437 P470	N232-T435 HydrophobicContact CB-CG2 3.94Å; N232-T435 WeakPolarHBondContact CB-OG1 3.27Å; N232-T435 PolarHBondContact ND2-OG1 2.91Å; N232-T435 CarbonylContact O-C 3.55Å; N232-T435 WeakPolarHBondContact O-CA 3.47Å; F386-T435 HydrophobicContact CE1-CG2 4.38Å; F386-T435 HydrophobicContact CZ-CG2 4.4Å; F431-T435 WeakPolarHBondContact O-CB 3.42Å; F431-T435 PolarHBondContact O-OG1 3.12Å; T435-F437 HydrophobicContact CG2-CB 4.29Å; T435-F437 PolarHBondContact O-N 3.09Å; T435-P470 WeakPolarHBondContact O-CD 3.39Å
436	V	98.7	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107	158.3	178	0	0	0	0	106.6	L231 N232 Y234 I438 I467 L469 L504	L231-V436 HydrophobicContact CD1-CG2 3.98Å; N232-V436 PolarHBondContact O-N 2.89Å; Y234-V436 PolarHBondContact N-O 3.06Å; V436-I438 HydrophobicContact CG1-CD1 4.27Å; V436-I438 HydrophobicContact CG1-CG1 4.3Å; V436-I467 HydrophobicContact CG1-CD1 3.92Å; V436-I467 HydrophobicContact CG1-CG1 4.1Å; V436-L469 HydrophobicContact CG1-CD2 4.22Å; V436-L469 HydrophobicContact CG2-CD2 4.22Å; V436-L504 HydrophobicContact CB-CD1 4.35Å; V436-L504 HydrophobicContact CG2-CD1 3.98Å; V436-L504 HydrophobicContact CG2-CD2 4.14Å
437	F	98.9	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120	-175.6	-163.8	-41.6	0	0	0	108.5	Y234 L236 L423 F426 L432 T435 V439 I468	Y234-F437 HydrophobicContact CD1-CD1 4.21Å; Y234-F437 AromaticContact CD1-CD2 3.68Å; Y234-F437 HydrophobicContact CD1-CD2 3.68Å; Y234-F437 AromaticContact CD1-CE1 3.85Å; Y234-F437 HydrophobicContact CD1-CE1 3.85Å; Y234-F437 AromaticContact CD1-CE2 3.3Å; Y234-F437 HydrophobicContact CD1-CE2 3.3Å; Y234-F437 HydrophobicContact CD1-CG 4.12Å; Y234-F437 AromaticContact CD1-CZ 3.39Å; Y234-F437 HydrophobicContact CD1-CZ 3.39Å; Y234-F437 HydrophobicContact CE1-CD2 4.25Å; Y234-F437 AromaticContact CE1-CE1 3.89Å; Y234-F437 HydrophobicContact CE1-CE1 3.89Å; Y234-F437 AromaticContact CE1-CE2 3.41Å; Y234-F437 HydrophobicContact CE1-CE2 3.41Å; Y234-F437 VanDerWaalsContact CE1-CE2 3.41Å; Y234-F437 AromaticContact CE1-CZ 3.18Å; Y234-F437 HydrophobicContact CE1-CZ 3.18Å; Y234-F437 HydrophobicContact CG-CE1 4.49Å; Y234-F437 HydrophobicContact CG-CE2 4.47Å; Y234-F437 HydrophobicContact CG-CZ 4.41Å; Y234-F437 CarbonylContact O-C 3.58Å; Y234-F437 WeakPolarHBondContact O-CA 3.38Å; L236-F437 HydrophobicContact CB-CE1 3.69Å; L236-F437 HydrophobicContact CB-CZ 4.23Å; L236-F437 HydrophobicContact CD2-CE1 4.15Å; L236-F437 HydrophobicContact CD2-CZ 4.13Å; L423-F437 HydrophobicContact CD2-CE1 4.09Å; L423-F437 HydrophobicContact CD2-CE2 3.9Å; L423-F437 HydrophobicContact CD2-CZ 3.68Å; F426-F437 HydrophobicContact CB-CE2 4.34Å; F426-F437 HydrophobicContact CD1-CD2 4.16Å; F426-F437 HydrophobicContact CD1-CE2 4.01Å; F426-F437 HydrophobicContact CD2-CE2 4.06Å; F426-F437 HydrophobicContact CE1-CE2 4.34Å; F426-F437 HydrophobicContact CE2-CE2 4.4Å; F426-F437 HydrophobicContact CG-CD2 4.35Å; F426-F437 AromaticContact CG-CE2 3.87Å; F426-F437 HydrophobicContact CG-CE2 3.87Å; L432-F437 HydrophobicContact CD2-CB 4.32Å; L432-F437 HydrophobicContact CD2-CD2 3.68Å; L432-F437 HydrophobicContact CD2-CE2 4.49Å; L432-F437 HydrophobicContact CD2-CG 4.43Å; T435-F437 HydrophobicContact CG2-CB 4.29Å; T435-F437 PolarHBondContact O-N 3.09Å; F437-V439 HydrophobicContact CD1-CG2 3.98Å; F437-V439 HydrophobicContact CE1-CG2 3.7Å; F437-I468 HydrophobicContact CB-CB 4.21Å; F437-I468 PolarHBondContact N-O 3.49Å; F437-I468 PolarHBondContact O-N 3.41Å
438	I	98.9	Very high	91.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.4	-179.7	-64.3	162.2	0	0	0	108.5	Y234 F235 L236 V436 F440 V465 S466 I467 L501	Y234-I438 PolarHBondContact O-N 3.36Å; F235-I438 CarbonylContact C-O 3.58Å; F235-I438 VanDerWaalsContact CA-O 3.31Å; F235-I438 WeakPolarHBondContact CA-O 3.4Å; F235-I438 HydrophobicContact CD1-CB 3.87Å; F235-I438 HydrophobicContact CD1-CD1 4.3Å; F235-I438 HydrophobicContact CD1-CG2 3.66Å; F235-I438 HydrophobicContact CD2-CD1 4.49Å; F235-I438 HydrophobicContact CE1-CB 3.96Å; F235-I438 HydrophobicContact CE1-CD1 3.61Å; F235-I438 HydrophobicContact CE1-CG1 4.39Å; F235-I438 HydrophobicContact CE1-CG2 3.65Å; F235-I438 HydrophobicContact CE2-CD1 3.82Å; F235-I438 HydrophobicContact CG-CB 4.29Å; F235-I438 HydrophobicContact CZ-CB 4.45Å; F235-I438 HydrophobicContact CZ-CD1 3.33Å; F235-I438 HydrophobicContact CZ-CG1 4.47Å; L236-I438 PolarHBondContact N-O 2.88Å; V436-I438 HydrophobicContact CG1-CD1 4.27Å; V436-I438 HydrophobicContact CG1-CG1 4.3Å; I438-F440 HydrophobicContact CG2-CB 4.14Å; I438-V465 HydrophobicContact CG2-CG1 4.32Å; I438-S466 VanDerWaalsContact CA-O 3.29Å; I438-S466 WeakPolarHBondContact CA-O 3.41Å; I438-I467 HydrophobicContact CG1-CB 4.39Å; I438-I467 HydrophobicContact CG1-CD1 4.46Å; I438-I467 HydrophobicContact CG1-CG1 4.12Å; I438-L501 HydrophobicContact CD1-CD2 4.5Å
439	V	98.9	Very high	90.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.7	169.4	-175.8	0	0	0	0	107.1	L236 F246 I257 L423 F437 F464 V465 S466	L236-V439 CarbonylContact O-C 3.58Å; L236-V439 WeakPolarHBondContact O-CA 3.38Å; F246-V439 HydrophobicContact CE2-CG1 4.26Å; F246-V439 HydrophobicContact CZ-CG1 4.23Å; I257-V439 HydrophobicContact CD1-CB 4.03Å; I257-V439 HydrophobicContact CD1-CG1 4.11Å; I257-V439 HydrophobicContact CD1-CG2 3.87Å; L423-V439 HydrophobicContact CD2-CG2 4.48Å; F437-V439 HydrophobicContact CD1-CG2 3.98Å; F437-V439 HydrophobicContact CE1-CG2 3.7Å; V439-F464 HydrophobicContact CB-CE1 4.14Å; V439-F464 HydrophobicContact CG1-CD1 4.32Å; V439-F464 HydrophobicContact CG1-CE1 3.91Å; V439-V465 CarbonylContact O-C 3.5Å; V439-V465 WeakPolarHBondContact O-CA 3.5Å; V439-S466 PolarHBondContact N-O 2.8Å; V439-S466 VanDerWaalsContact N-O 3.13Å; V439-S466 PolarHBondContact O-N 3.49Å; V439-S466 PolarHBondContact O-OG 2.82Å
440	F	98.6	Very high	89.4	Confident	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	169.1	-171	83.3	-70.4	0	0	0	113.4	F235 L236 G237 L238 L280 I283 F398 I400 I438 F464 V465	F235-F440 HydrophobicContact CB-CD1 4.06Å; F235-F440 HydrophobicContact CB-CE1 3.72Å; F235-F440 AromaticContact CD1-CD1 3.81Å; F235-F440 HydrophobicContact CD1-CD1 3.81Å; F235-F440 AromaticContact CD1-CE1 3.99Å; F235-F440 HydrophobicContact CD1-CE1 3.99Å; F235-F440 HydrophobicContact CD1-CG 4.33Å; F235-F440 HydrophobicContact CG-CD1 4.44Å; F235-F440 HydrophobicContact CG-CE1 4.35Å; L236-F440 WeakPolarHBondContact O-CD1 3.39Å; L236-F440 PolarHBondContact O-N 3.08Å; G237-F440 CarbonylContact C-O 3.58Å; G237-F440 VanDerWaalsContact CA-O 3.23Å; G237-F440 WeakPolarHBondContact CA-O 3.41Å; L238-F440 PolarHBondContact N-O 2.82Å; L280-F440 HydrophobicContact CD1-CZ 4.49Å; L280-F440 HydrophobicContact CD2-CE2 4.49Å; I283-F440 HydrophobicContact CD1-CD2 4.12Å; I283-F440 HydrophobicContact CD1-CE2 4.01Å; F398-F440 HydrophobicContact CE1-CE1 4.17Å; F398-F440 AromaticContact CE1-CZ 3.59Å; F398-F440 HydrophobicContact CE1-CZ 3.59Å; F398-F440 HydrophobicContact CE2-CZ 4.32Å; F398-F440 AromaticContact CZ-CE1 3.93Å; F398-F440 HydrophobicContact CZ-CE1 3.93Å; F398-F440 HydrophobicContact CZ-CE2 4.05Å; F398-F440 AromaticContact CZ-CZ 3.35Å; F398-F440 HydrophobicContact CZ-CZ 3.35Å; I400-F440 HydrophobicContact CD1-CZ 4.41Å; I438-F440 HydrophobicContact CG2-CB 4.14Å; F440-F464 CarbonylContact C-O 3.57Å; F440-F464 VanDerWaalsContact C-O 3.31Å; F440-F464 VanDerWaalsContact CA-O 3.29Å; F440-F464 WeakPolarHBondContact CA-O 3.38Å; F440-V465 HydrophobicContact CB-CB 4.49Å; F440-V465 HydrophobicContact CB-CG1 4.16Å; F440-V465 HydrophobicContact CB-CG2 4.12Å
441	S	98.1	Very high	88.4	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.4	165.3	-177.6	0	0	0	0	108.2	L238 V241 H443 P463 F464	L238-S441 VanDerWaalsContact O-CA 3.31Å; L238-S441 WeakPolarHBondContact O-CA 3.43Å; L238-S441 WeakPolarHBondContact O-CB 3.47Å; L238-S441 PolarHBondContact O-OG 3.45Å; V241-S441 PolarHBondContact N-OG 3.17Å; V241-S441 VanDerWaalsContact O-CB 3.23Å; V241-S441 WeakPolarHBondContact O-CB 3.33Å; V241-S441 PolarHBondContact O-OG 3.31Å; S441-H443 PolarHBondContact OG-O 3.07Å; S441-P463 WeakPolarHBondContact O-CB 3.23Å; S441-F464 PolarHBondContact N-O 3.1Å
442	D	95.5	Very high	87.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.157	C	C	.	.	S	Bend	trans	-76.3	-43.2	-179.1	60	-26.8	0	0	0	112.2	D239 T276 A279 L280	D239-D442 WeakPolarHBondContact CA-OD1 3.39Å; T276-D442 VanDerWaalsContact CA-OD2 3.25Å; T276-D442 WeakPolarHBondContact CA-OD2 3.34Å; T276-D442 WeakPolarHBondContact CB-OD2 3.44Å; T276-D442 HydrophobicContact CG2-CB 4.19Å; T276-D442 VanDerWaalsContact CG2-OD2 3.25Å; T276-D442 WeakPolarHBondContact CG2-OD2 3.48Å; T276-D442 PolarHBondContact OG1-OD2 3.49Å; A279-D442 HydrophobicContact CB-CB 3.82Å; L280-D442 HydrophobicContact CD2-CB 3.75Å
443	H	92.9	Very high	86.4	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.046	16%	0.158	C	C	.	.			trans	-157.4	174.3	173.3	56.1	84.7	0	0	0	110.5	D239 S240 V241 V271 G275 S441	D239-H443 IonicContact OD1-CE1 2.72Å; D239-H443 IonicContact OD1-NE2 3.89Å; S240-H443 CarbonylContact C-O 3.2Å; S240-H443 VanDerWaalsContact CA-O 3.27Å; S240-H443 WeakPolarHBondContact CA-O 3.42Å; S240-H443 WeakPolarHBondContact CB-CE1 3.23Å; S240-H443 WeakPolarHBondContact CB-ND1 3.36Å; S240-H443 WeakPolarHBondContact CB-O 3.43Å; S240-H443 PolarHBondContact OG-CE1 2.91Å; S240-H443 VanDerWaalsContact OG-CE1 3.25Å; V241-H443 PolarHBondContact N-O 2.76Å; V271-H443 HydrophobicContact CG1-CB 3.87Å; G275-H443 WeakPolarHBondContact CA-CD2 3.23Å; G275-H443 VanDerWaalsContact CA-NE2 3.32Å; G275-H443 WeakPolarHBondContact CA-NE2 3.48Å; S441-H443 PolarHBondContact OG-O 3.07Å
444	G	90.8	Very high	85.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-85.1	177.6	168.2	0	0	0	0	0	112.5	R446 E460	G444-R446 PolarHBondContact O-N 3.1Å; G444-R446 VanDerWaalsContact O-N 3.14Å; G444-E460 PolarHBondContact N-O 2.94Å
445	A	83.7	Confident	84.9	Confident	10 Å²	10	30.7 Å²	30.7	8%	0.083	15%	0.145	C	C	.	.			trans	-55.5	121	-175.3	0	0	0	0	0	112.6	F409 S448 R451	F409-A445 HydrophobicContact CB-CB 4.15Å; A445-S448 WeakPolarHBondContact CB-OG 3.35Å; A445-R451 WeakPolarHBondContact O-CB 3.42Å
446	R	67.9	Low	84.3	Confident	95 Å²	95	30.7 Å²	30.7	36%	0.358	15%	0.145	S	C	.	.	S	Bend	trans	-99.5	-34	-174.7	179.6	-178	142.7	176.2	-1.9	113.5	D274 G444 R451	D274-R446 VanDerWaalsContact OD1-CD 3.32Å; D274-R446 WeakPolarHBondContact OD1-CD 3.37Å; D274-R446 IonicContact OD1-CZ 2.77Å; D274-R446 IonicContact OD1-NE 2.64Å; D274-R446 PolarHBondContact OD1-NE 3.06Å; D274-R446 IonicContact OD1-NH1 3.99Å; D274-R446 PolarHBondContact OD1-NH1 3.18Å; D274-R446 IonicContact OD2-CZ 3.62Å; D274-R446 IonicContact OD2-NE 3.52Å; D274-R446 IonicContact OD2-NH1 3.91Å; D274-R446 PolarHBondContact OD2-NH1 3.07Å; D274-R446 IonicContact OD2-NH2 2.8Å; D274-R446 PolarHBondContact OD2-NH2 3.21Å; G444-R446 PolarHBondContact O-N 3.1Å; G444-R446 VanDerWaalsContact O-N 3.14Å; R446-R451 WeakPolarHBondContact O-CG 3.41Å
447	L	62.8	Low	83.5	Confident	137 Å²	137	31.3 Å²	31.3	72%	0.717	15%	0.147	S	C	*	.	S	Bend	trans	-114	31.8	-173.5	-61.4	179.1	0	0	0	113.5
448	S	61.7	Low	82.9	Confident	23 Å²	23	31.3 Å²	31.3	16%	0.161	15%	0.147	C	C	.	.	S	Bend	trans	-113.8	162.6	-177.5	66.5	0	0	0	0	112.7	A445 V450 R451	A445-S448 WeakPolarHBondContact CB-OG 3.35Å; S448-V450 PolarHBondContact O-N 2.76Å; S448-V450 WeakPolarHBondContact OG-CB 3.37Å; S448-V450 PolarHBondContact OG-N 2.63Å; S448-R451 WeakPolarHBondContact O-CB 3.21Å; S448-R451 PolarHBondContact O-N 3.35Å; S448-R451 VanDerWaalsContact O-N 3.09Å; S448-R451 PolarHBondContact OG-N 2.02Å
449	S	69.9	Low	82.5	Confident	62 Å²	62	31.5 Å²	31.5	43%	0.434	15%	0.148	S	C	.	.	S	Bend	trans	-55.3	-32.6	167.4	49.6	0	0	0	0	111.8	R451 R452	S449-R451 VanDerWaalsContact C-N 3.33Å; S449-R451 PolarHBondContact O-N 2.94Å; S449-R452 WeakPolarHBondContact O-CB 3.5Å; S449-R452 PolarHBondContact O-N 3.09Å; S449-R452 VanDerWaalsContact O-N 3.16Å
450	V	76.7	Confident	82.1	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-56.6	-45.2	174.2	157.1	0	0	0	0	111	I119 L122 F409 S448 R452 T453 G456	I119-V450 HydrophobicContact CD1-CB 4.1Å; I119-V450 HydrophobicContact CD1-CG1 3.54Å; I119-V450 HydrophobicContact CD1-CG2 4.02Å; L122-V450 HydrophobicContact CB-CG2 3.96Å; L122-V450 HydrophobicContact CD1-CB 4.37Å; L122-V450 HydrophobicContact CD1-CG2 3.71Å; L122-V450 HydrophobicContact CG-CG2 4.5Å; F409-V450 HydrophobicContact CD1-CG2 4.34Å; F409-V450 HydrophobicContact CE1-CB 4.4Å; F409-V450 HydrophobicContact CE1-CG2 3.65Å; F409-V450 HydrophobicContact CE2-CG2 4.05Å; F409-V450 HydrophobicContact CZ-CG2 3.47Å; F409-V450 VanDerWaalsContact CZ-CG2 3.47Å; S448-V450 PolarHBondContact O-N 2.76Å; S448-V450 WeakPolarHBondContact OG-CB 3.37Å; S448-V450 PolarHBondContact OG-N 2.63Å; V450-R452 PolarHBondContact O-N 3.33Å; V450-T453 PolarHBondContact O-N 3.06Å; V450-T453 PolarHBondContact O-OG1 3.42Å; V450-G456 WeakPolarHBondContact O-CA 3.38Å
451	R	76.2	Confident	81.7	Confident	20 Å²	20	31.7 Å²	31.7	8%	0.075	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.5	-17.8	-179.1	-177.2	47.5	-177.3	60.6	8	114.5	A445 R446 S448 S449 E460	A445-R451 WeakPolarHBondContact O-CB 3.42Å; R446-R451 WeakPolarHBondContact O-CG 3.41Å; S448-R451 WeakPolarHBondContact O-CB 3.21Å; S448-R451 PolarHBondContact O-N 3.35Å; S448-R451 VanDerWaalsContact O-N 3.09Å; S448-R451 PolarHBondContact OG-N 2.02Å; S449-R451 VanDerWaalsContact C-N 3.33Å; S449-R451 PolarHBondContact O-N 2.94Å; R451-E460 IonicContact CZ-OE1 2.87Å; R451-E460 IonicContact CZ-OE2 2.8Å; R451-E460 IonicContact NE-OE1 3.49Å; R451-E460 PolarHBondContact NE-OE1 3.33Å; R451-E460 IonicContact NE-OE2 3.04Å; R451-E460 PolarHBondContact NE-OE2 2.89Å; R451-E460 IonicContact NH2-OE1 3.57Å; R451-E460 IonicContact NH2-OE2 3.48Å; R451-E460 PolarHBondContact NH2-OE2 3.45Å
452	R	73.7	Confident	81.6	Confident	217 Å²	217	31.9 Å²	31.9	82%	0.819	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-81	-16.6	178.3	-59.4	-178.1	-179.2	177.5	0.1	113.1	S449 V450	S449-R452 WeakPolarHBondContact O-CB 3.5Å; S449-R452 PolarHBondContact O-N 3.09Å; S449-R452 VanDerWaalsContact O-N 3.16Å; V450-R452 PolarHBondContact O-N 3.33Å
453	T	79	Confident	81.6	Confident	15 Å²	15	31.9 Å²	31.9	9%	0.092	15%	0.15	C	C	.	.	S	Bend	trans	-79.5	162.4	177.3	76.8	0	0	0	0	111.1	E118 I119 L122 V450 Q455 G456 K457	E118-T453 HydrophobicContact CB-CG2 3.69Å; I119-T453 HydrophobicContact CD1-CG2 4.16Å; I119-T453 WeakPolarHBondContact CD1-OG1 3.26Å; L122-T453 HydrophobicContact CD1-CG2 4.11Å; V450-T453 PolarHBondContact O-N 3.06Å; V450-T453 PolarHBondContact O-OG1 3.42Å; T453-Q455 PolarHBondContact O-N 2.99Å; T453-G456 PolarHBondContact O-N 3.16Å; T453-G456 PolarHBondContact OG1-N 3.26Å; T453-K457 PolarHBondContact O-N 2.87Å
454	K	78.3	Confident	81.9	Confident	49 Å²	49	31.4 Å²	31.4	21%	0.213	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-41.3	-179.8	-60	178	-177.7	170.8	0	111.3	E118 P622	E118-K454 WeakPolarHBondContact OE2-CB 3.48Å; E118-K454 PolarHBondContact OE2-N 3.02Å; K454-P622 HydrophobicContact CB-CB 4.04Å; K454-P622 HydrophobicContact CB-CG 4.26Å
455	Q	83.8	Confident	82.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.7	-36	175.7	-175.4	164.5	-68.6	0	0	112.2	N113 D116 I119 T453 K457 L458 E459 P622	N113-Q455 PolarHBondContact O-NE2 3.18Å; N113-Q455 PolarHBondContact O-OE1 3.29Å; D116-Q455 HydrophobicContact CB-CB 4.42Å; I119-Q455 HydrophobicContact CG1-CB 4.22Å; T453-Q455 PolarHBondContact O-N 2.99Å; Q455-K457 PolarHBondContact O-N 3.23Å; Q455-L458 WeakPolarHBondContact O-CA 3.42Å; Q455-L458 WeakPolarHBondContact O-CB 3.32Å; Q455-L458 PolarHBondContact O-N 2.82Å; Q455-E459 HydrophobicContact CG-CG 4.01Å; Q455-E459 PolarHBondContact NE2-OE1 3.31Å; Q455-E459 PolarHBondContact O-N 2.82Å; Q455-P622 HydrophobicContact CB-CG 4.09Å
456	G	85.1	Confident	83	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-35.3	178.3	0	0	0	0	0	113.3	V450 T453 L458 E459 E460	V450-G456 WeakPolarHBondContact O-CA 3.38Å; T453-G456 PolarHBondContact O-N 3.16Å; T453-G456 PolarHBondContact OG1-N 3.26Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 3.14Å; G456-E459 PolarHBondContact O-N 3.19Å; G456-E460 PolarHBondContact O-N 3.3Å
457	K	81.9	Confident	84.5	Confident	12 Å²	12	26.5 Å²	26.5	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-39	171.6	-66.2	-149.3	178.2	-171.5	0	113.3	T453 Q455 R461 F602 L619	T453-K457 PolarHBondContact O-N 2.87Å; Q455-K457 PolarHBondContact O-N 3.23Å; K457-R461 PolarHBondContact O-NH1 3.34Å; K457-F602 PolarHBondContact NZ-O 3.22Å; K457-L619 VanDerWaalsContact NZ-CD1 3.28Å
458	L	86.6	Confident	86.2	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-73.1	-43.5	176.3	-70.6	165.5	0	0	0	110.6	P110 Q112 Q455 G456 E460 R461 N462 F599 V621 P622	P110-L458 HydrophobicContact CB-CD1 4.18Å; P110-L458 HydrophobicContact CB-CD2 3.85Å; P110-L458 HydrophobicContact CG-CD2 3.83Å; Q112-L458 HydrophobicContact CG-CB 4.47Å; Q112-L458 HydrophobicContact CG-CD1 4.48Å; Q455-L458 WeakPolarHBondContact O-CA 3.42Å; Q455-L458 WeakPolarHBondContact O-CB 3.32Å; Q455-L458 PolarHBondContact O-N 2.82Å; G456-L458 VanDerWaalsContact C-N 3.33Å; G456-L458 PolarHBondContact O-N 3.14Å; L458-E460 PolarHBondContact O-N 3.19Å; L458-R461 PolarHBondContact O-N 2.96Å; L458-N462 PolarHBondContact O-N 3.14Å; L458-N462 VanDerWaalsContact O-N 3.16Å; L458-N462 PolarHBondContact O-OD1 3Å; L458-F599 HydrophobicContact CD2-CE1 4.11Å; L458-F599 HydrophobicContact CD2-CE2 4.2Å; L458-F599 HydrophobicContact CD2-CZ 3.45Å; L458-F599 VanDerWaalsContact CD2-CZ 3.45Å; L458-F599 HydrophobicContact CG-CZ 4.09Å; L458-V621 HydrophobicContact CD1-CG1 4.17Å; L458-V621 HydrophobicContact CD2-CG1 4.44Å; L458-V621 HydrophobicContact CG-CG1 4.5Å; L458-P622 HydrophobicContact CD1-CG 4.26Å
459	E	90.4	Very high	87.9	Confident	3 Å²	3	20.6 Å²	20.6	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-38.9	-179.9	-76.8	-165.1	-157.1	0	0	113.5	S242 M244 S245 R248 Q455 G456 R461 N462	S242-E459 WeakPolarHBondContact CB-O 3.25Å; S242-E459 PolarHBondContact OG-OE2 3.26Å; M244-E459 HydrophobicContact CB-CG 4.03Å; M244-E459 WeakPolarHBondContact CB-OE1 3.41Å; M244-E459 HydrophobicContact CG-CG 4.07Å; S245-E459 PolarHBondContact OG-OE2 3.01Å; R248-E459 IonicContact CZ-OE1 2.91Å; R248-E459 IonicContact CZ-OE2 3.45Å; R248-E459 IonicContact NH1-OE1 2.84Å; R248-E459 PolarHBondContact NH1-OE1 2.8Å; R248-E459 IonicContact NH2-OE1 2.66Å; R248-E459 PolarHBondContact NH2-OE1 3.27Å; R248-E459 IonicContact NH2-OE2 2.7Å; R248-E459 PolarHBondContact NH2-OE2 3.22Å; Q455-E459 HydrophobicContact CG-CG 4.01Å; Q455-E459 PolarHBondContact NE2-OE1 3.31Å; Q455-E459 PolarHBondContact O-N 2.82Å; G456-E459 PolarHBondContact O-N 3.19Å; E459-R461 PolarHBondContact O-N 2.73Å; E459-N462 CarbonylContact O-C 3.56Å; E459-N462 PolarHBondContact O-N 2.88Å
460	E	90.1	Very high	89.3	Confident	8 Å²	8	17.8 Å²	17.8	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-52.1	-40.4	171.3	176.7	-168.9	-125.1	0	0	112.2	G444 R451 G456 L458	G444-E460 PolarHBondContact N-O 2.94Å; R451-E460 IonicContact CZ-OE1 2.87Å; R451-E460 IonicContact CZ-OE2 2.8Å; R451-E460 IonicContact NE-OE1 3.49Å; R451-E460 PolarHBondContact NE-OE1 3.33Å; R451-E460 IonicContact NE-OE2 3.04Å; R451-E460 PolarHBondContact NE-OE2 2.89Å; R451-E460 IonicContact NH2-OE1 3.57Å; R451-E460 IonicContact NH2-OE2 3.48Å; R451-E460 PolarHBondContact NH2-OE2 3.45Å; G456-E460 PolarHBondContact O-N 3.3Å; L458-E460 PolarHBondContact O-N 3.19Å
461	R	91.4	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-90.6	-8.7	-171.8	-63.9	173.8	175.6	109.5	-23.5	113.5	N270 V271 K457 L458 E459 P463 Q540 W541 F599 F602	N270-R461 WeakPolarHBondContact CA-O 3.47Å; V271-R461 HydrophobicContact CG2-CB 3.87Å; V271-R461 HydrophobicContact CG2-CG 3.91Å; V271-R461 PolarHBondContact N-O 2.65Å; K457-R461 PolarHBondContact O-NH1 3.34Å; L458-R461 PolarHBondContact O-N 2.96Å; E459-R461 PolarHBondContact O-N 2.73Å; R461-P463 WeakPolarHBondContact O-CD 3.33Å; R461-Q540 PolarHBondContact NE-O 2.83Å; R461-Q540 VanDerWaalsContact NE-O 3.12Å; R461-Q540 PolarHBondContact NH2-O 2.9Å; R461-W541 HydrophobicContact CG-CE3 3.97Å; R461-W541 HydrophobicContact CG-CZ3 4.3Å; R461-F599 VanDerWaalsContact CZ-CE2 3.48Å; R461-F599 PolarHBondContact NH2-O 2.91Å; R461-F602 VanDerWaalsContact NH2-CD1 3.3Å
462	N	94.6	Very high	91.1	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.027	11%	0.112	C	C	.	.	S	Bend	trans	-121.4	71.6	-179.5	-60.9	134.5	0	0	0	110.4	R243 Y269 L458 E459 S543	R243-N462 PolarHBondContact N-O 2.93Å; Y269-N462 PolarHBondContact O-ND2 3.46Å; L458-N462 PolarHBondContact O-N 3.14Å; L458-N462 VanDerWaalsContact O-N 3.16Å; L458-N462 PolarHBondContact O-OD1 3Å; E459-N462 CarbonylContact O-C 3.56Å; E459-N462 PolarHBondContact O-N 2.88Å; N462-S543 PolarHBondContact ND2-OG 2.71Å; N462-S543 PolarHBondContact OD1-OG 3.49Å; N462-S543 VanDerWaalsContact OD1-OG 3.09Å
463	P	97.1	Very high	92.2	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-63.4	159.5	175.5	26	-32	0	0	0	112.2	Y269 V271 S441 R461	Y269-P463 HydrophobicContact CD1-CG 3.7Å; Y269-P463 HydrophobicContact CE1-CG 3.81Å; V271-P463 HydrophobicContact CG1-CG 3.95Å; S441-P463 WeakPolarHBondContact O-CB 3.23Å; R461-P463 WeakPolarHBondContact O-CD 3.33Å
464	F	98.3	Very high	93.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.			trans	-71.2	129.2	171.6	-178.6	-98.3	0	0	0	110.3	V241 R243 F246 Y254 I257 V265 V439 F440 S441	V241-F464 PolarHBondContact O-N 2.89Å; V241-F464 VanDerWaalsContact O-N 3.07Å; R243-F464 HydrophobicContact CG-CD2 4.25Å; F246-F464 HydrophobicContact CB-CB 3.69Å; F246-F464 HydrophobicContact CB-CD2 3.88Å; F246-F464 HydrophobicContact CB-CG 3.81Å; F246-F464 HydrophobicContact CD1-CD1 4.11Å; F246-F464 AromaticContact CD1-CD2 3.75Å; F246-F464 HydrophobicContact CD1-CD2 3.75Å; F246-F464 HydrophobicContact CD1-CE1 4.14Å; F246-F464 AromaticContact CD1-CE2 3.81Å; F246-F464 HydrophobicContact CD1-CE2 3.81Å; F246-F464 AromaticContact CD1-CG 3.91Å; F246-F464 HydrophobicContact CD1-CG 3.91Å; F246-F464 AromaticContact CD1-CZ 4Å; F246-F464 HydrophobicContact CD1-CZ 4Å; F246-F464 HydrophobicContact CD2-CB 3.68Å; F246-F464 AromaticContact CD2-CD1 3.48Å; F246-F464 HydrophobicContact CD2-CD1 3.48Å; F246-F464 VanDerWaalsContact CD2-CD1 3.48Å; F246-F464 HydrophobicContact CD2-CD2 4.2Å; F246-F464 HydrophobicContact CD2-CE1 4.13Å; F246-F464 AromaticContact CD2-CG 3.5Å; F246-F464 HydrophobicContact CD2-CG 3.5Å; F246-F464 HydrophobicContact CE1-CD1 4.1Å; F246-F464 HydrophobicContact CE1-CD2 4.34Å; F246-F464 AromaticContact CE1-CE1 3.78Å; F246-F464 HydrophobicContact CE1-CE1 3.78Å; F246-F464 HydrophobicContact CE1-CE2 4.06Å; F246-F464 HydrophobicContact CE1-CG 4.36Å; F246-F464 AromaticContact CE1-CZ 3.75Å; F246-F464 HydrophobicContact CE1-CZ 3.75Å; F246-F464 HydrophobicContact CE2-CB 4.5Å; F246-F464 AromaticContact CE2-CD1 3.46Å; F246-F464 HydrophobicContact CE2-CD1 3.46Å; F246-F464 VanDerWaalsContact CE2-CD1 3.46Å; F246-F464 AromaticContact CE2-CE1 3.76Å; F246-F464 HydrophobicContact CE2-CE1 3.76Å; F246-F464 AromaticContact CE2-CG 3.99Å; F246-F464 HydrophobicContact CE2-CG 3.99Å; F246-F464 HydrophobicContact CG-CB 3.77Å; F246-F464 AromaticContact CG-CD1 3.82Å; F246-F464 HydrophobicContact CG-CD1 3.82Å; F246-F464 AromaticContact CG-CD2 3.67Å; F246-F464 HydrophobicContact CG-CD2 3.67Å; F246-F464 HydrophobicContact CG-CE1 4.31Å; F246-F464 HydrophobicContact CG-CE2 4.21Å; F246-F464 AromaticContact CG-CG 3.45Å; F246-F464 HydrophobicContact CG-CG 3.45Å; F246-F464 VanDerWaalsContact CG-CG 3.45Å; F246-F464 HydrophobicContact CG-CZ 4.49Å; F246-F464 AromaticContact CZ-CD1 3.78Å; F246-F464 HydrophobicContact CZ-CD1 3.78Å; F246-F464 AromaticContact CZ-CE1 3.56Å; F246-F464 HydrophobicContact CZ-CE1 3.56Å; F246-F464 HydrophobicContact CZ-CG 4.39Å; F246-F464 HydrophobicContact CZ-CZ 4.03Å; Y254-F464 HydrophobicContact CD2-CD2 4.4Å; Y254-F464 AromaticContact CD2-CE2 3.59Å; Y254-F464 HydrophobicContact CD2-CE2 3.59Å; Y254-F464 HydrophobicContact CD2-CZ 4.24Å; Y254-F464 AromaticContact CE2-CE2 3.76Å; Y254-F464 HydrophobicContact CE2-CE2 3.76Å; I257-F464 HydrophobicContact CD1-CE1 4.1Å; I257-F464 HydrophobicContact CD1-CZ 4.08Å; V265-F464 HydrophobicContact CG1-CD2 4.42Å; V265-F464 HydrophobicContact CG1-CE2 4.02Å; V265-F464 HydrophobicContact CG2-CE2 3.99Å; V265-F464 HydrophobicContact CG2-CZ 4.29Å; V439-F464 HydrophobicContact CB-CE1 4.14Å; V439-F464 HydrophobicContact CG1-CD1 4.32Å; V439-F464 HydrophobicContact CG1-CE1 3.91Å; F440-F464 CarbonylContact C-O 3.57Å; F440-F464 VanDerWaalsContact C-O 3.31Å; F440-F464 VanDerWaalsContact CA-O 3.29Å; F440-F464 WeakPolarHBondContact CA-O 3.38Å; S441-F464 PolarHBondContact N-O 3.1Å
465	V	98.8	Very high	94	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.8	168.2	-175.2	0	0	0	0	108.6	V265 L266 Y269 I438 V439 F440 L497	V265-V465 WeakPolarHBondContact CA-O 3.37Å; L266-V465 HydrophobicContact CB-CB 4.27Å; L266-V465 HydrophobicContact CD1-CB 4.19Å; L266-V465 HydrophobicContact CD1-CG1 3.71Å; L266-V465 HydrophobicContact CG-CB 4.41Å; L266-V465 HydrophobicContact CG-CG1 4.24Å; L266-V465 PolarHBondContact N-O 2.91Å; Y269-V465 HydrophobicContact CD1-CB 4.5Å; Y269-V465 HydrophobicContact CD1-CG2 3.51Å; Y269-V465 HydrophobicContact CD2-CB 4.17Å; Y269-V465 HydrophobicContact CD2-CG1 4.43Å; Y269-V465 HydrophobicContact CD2-CG2 3.85Å; Y269-V465 HydrophobicContact CE1-CG2 3.57Å; Y269-V465 HydrophobicContact CE2-CB 4.49Å; Y269-V465 HydrophobicContact CE2-CG1 4.44Å; Y269-V465 HydrophobicContact CE2-CG2 3.92Å; Y269-V465 HydrophobicContact CG-CB 4.13Å; Y269-V465 HydrophobicContact CG-CG2 3.61Å; I438-V465 HydrophobicContact CG2-CG1 4.32Å; V439-V465 CarbonylContact O-C 3.5Å; V439-V465 WeakPolarHBondContact O-CA 3.5Å; F440-V465 HydrophobicContact CB-CB 4.49Å; F440-V465 HydrophobicContact CB-CG1 4.16Å; F440-V465 HydrophobicContact CB-CG2 4.12Å; V465-L497 HydrophobicContact CG1-CD1 4.19Å; V465-L497 HydrophobicContact CG1-CD2 4.33Å
466	S	98.8	Very high	94.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.7	173	67.3	0	0	0	0	111.2	T264 I438 V439	T264-S466 CarbonylContact O-C 3.41Å; T264-S466 WeakPolarHBondContact O-CA 3.26Å; I438-S466 VanDerWaalsContact CA-O 3.29Å; I438-S466 WeakPolarHBondContact CA-O 3.41Å; V439-S466 PolarHBondContact N-O 2.8Å; V439-S466 VanDerWaalsContact N-O 3.13Å; V439-S466 PolarHBondContact O-N 3.49Å; V439-S466 PolarHBondContact O-OG 2.82Å
467	I	98.8	Very high	95.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.5	176	-175.5	169.4	0	0	0	110	G263 T264 V436 I438 L469 V484 T500 L522	G263-I467 WeakPolarHBondContact CA-O 3.38Å; T264-I467 PolarHBondContact N-O 2.87Å; T264-I467 PolarHBondContact O-N 2.76Å; V436-I467 HydrophobicContact CG1-CD1 3.92Å; V436-I467 HydrophobicContact CG1-CG1 4.1Å; I438-I467 HydrophobicContact CG1-CB 4.39Å; I438-I467 HydrophobicContact CG1-CD1 4.46Å; I438-I467 HydrophobicContact CG1-CG1 4.12Å; I467-L469 HydrophobicContact CD1-CD2 3.91Å; I467-L469 HydrophobicContact CG1-CD2 3.95Å; I467-L469 HydrophobicContact CG1-CG 4.47Å; I467-V484 HydrophobicContact CG2-CG1 3.56Å; I467-T500 HydrophobicContact CD1-CG2 4.47Å; I467-L522 HydrophobicContact CD1-CD1 4.32Å
468	I	98.8	Very high	95.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.9	175.1	-58.2	156.6	0	0	0	106.9	I257 L261 L423 F437	I257-I468 HydrophobicContact CG1-CD1 4.37Å; I257-I468 HydrophobicContact CG2-CD1 4.31Å; I257-I468 HydrophobicContact CG2-CG1 4.37Å; L261-I468 HydrophobicContact CB-CD1 4.29Å; L261-I468 HydrophobicContact CB-CG1 4.37Å; L261-I468 HydrophobicContact CB-CG2 4.12Å; L261-I468 HydrophobicContact CD1-CD1 3.85Å; L423-I468 HydrophobicContact CD2-CD1 4.39Å; F437-I468 HydrophobicContact CB-CB 4.21Å; F437-I468 PolarHBondContact N-O 3.49Å; F437-I468 PolarHBondContact O-N 3.41Å
469	L	98.6	Very high	96.5	Very high	31 Å²	31	32.5 Å²	32.5	16%	0.162	17%	0.166	C	C	.	.			trans	-107.8	156.3	-178.5	-60.7	177.6	0	0	0	110.3	V436 I467 F473 V481 V484 F523	V436-L469 HydrophobicContact CG1-CD2 4.22Å; V436-L469 HydrophobicContact CG2-CD2 4.22Å; I467-L469 HydrophobicContact CD1-CD2 3.91Å; I467-L469 HydrophobicContact CG1-CD2 3.95Å; I467-L469 HydrophobicContact CG1-CG 4.47Å; L469-F473 HydrophobicContact CB-CB 4.21Å; L469-F473 HydrophobicContact CB-CG 4.41Å; L469-F473 HydrophobicContact CD1-CD1 4.03Å; L469-F473 HydrophobicContact CD1-CE1 4.4Å; L469-V481 HydrophobicContact CD1-CG2 3.93Å; L469-V484 HydrophobicContact CD1-CG2 4.42Å; L469-F523 HydrophobicContact CD1-CE1 4.06Å; L469-F523 HydrophobicContact CD2-CE1 3.84Å; L469-F523 HydrophobicContact CD2-CZ 3.95Å
470	P	97.9	Very high	96.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.019	17%	0.169	C	C	.	.			trans	-54.2	142.2	171.7	-27.8	36	0	0	0	112.5	L432 N433 T435 W472 F473	L432-P470 WeakPolarHBondContact O-CA 3.32Å; N433-P470 WeakPolarHBondContact O-CB 3.08Å; T435-P470 WeakPolarHBondContact O-CD 3.39Å; P470-W472 VanDerWaalsContact C-N 3.25Å; P470-W472 HydrophobicContact CB-CD2 4.29Å; P470-W472 HydrophobicContact CB-CG 4.48Å; P470-W472 HydrophobicContact CB-CZ2 3.95Å; P470-W472 HydrophobicContact CG-CZ2 4.14Å; P470-W472 PolarHBondContact O-N 3.39Å; P470-W472 VanDerWaalsContact O-N 3.14Å; P470-F473 HydrophobicContact CB-CB 4.31Å; P470-F473 HydrophobicContact CG-CD2 4.37Å; P470-F473 WeakPolarHBondContact O-CB 3.49Å; P470-F473 PolarHBondContact O-N 3.32Å
471	P	95.6	Very high	97.3	Very high	96 Å²	96	32.8 Å²	32.8	62%	0.623	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.3	-176.4	-28.4	36	0	0	0	114.5	F473	P471-F473 VanDerWaalsContact C-N 3.27Å; P471-F473 PolarHBondContact O-N 2.93Å
472	W	96.3	Very high	97.6	Very high	64 Å²	64	39.2 Å²	39.2	24%	0.242	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.7	177.7	59.1	-100.3	0	0	0	113.7	F227 L231 N433 P470 E474 Q475 K476 F477	F227-W472 HydrophobicContact CD1-CH2 4.16Å; F227-W472 HydrophobicContact CE1-CH2 4.23Å; L231-W472 HydrophobicContact CD1-CH2 4.33Å; L231-W472 HydrophobicContact CD2-CH2 3.93Å; L231-W472 HydrophobicContact CD2-CZ2 3.62Å; N433-W472 PolarHBondContact O-NE1 3.28Å; N433-W472 VanDerWaalsContact OD1-CD1 3.31Å; P470-W472 VanDerWaalsContact C-N 3.25Å; P470-W472 HydrophobicContact CB-CD2 4.29Å; P470-W472 HydrophobicContact CB-CG 4.48Å; P470-W472 HydrophobicContact CB-CZ2 3.95Å; P470-W472 HydrophobicContact CG-CZ2 4.14Å; P470-W472 PolarHBondContact O-N 3.39Å; P470-W472 VanDerWaalsContact O-N 3.14Å; W472-E474 VanDerWaalsContact C-N 3.3Å; W472-E474 PolarHBondContact O-N 3.26Å; W472-Q475 PolarHBondContact O-N 3.03Å; W472-Q475 VanDerWaalsContact O-N 3.14Å; W472-K476 HydrophobicContact CE3-CB 4.07Å; W472-K476 HydrophobicContact CE3-CD 4.24Å; W472-K476 HydrophobicContact CZ3-CB 4.26Å; W472-K476 HydrophobicContact CZ3-CD 3.91Å; W472-K476 PolarHBondContact O-N 3.11Å; W472-F477 HydrophobicContact CZ3-CD2 4.47Å; W472-F477 HydrophobicContact CZ3-CE2 4.24Å
473	F	97.1	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-36.8	-169.8	-157.9	-81.1	0	0	0	111.9	F227 L231 L469 P470 P471 K476 F477 A480 V481 F507 F523	F227-F473 AromaticContact CE1-CE2 3.71Å; F227-F473 HydrophobicContact CE1-CE2 3.71Å; F227-F473 HydrophobicContact CE1-CZ 4.3Å; F227-F473 HydrophobicContact CZ-CE2 4.01Å; F227-F473 HydrophobicContact CZ-CZ 4.26Å; L231-F473 HydrophobicContact CD1-CD2 4.08Å; L231-F473 HydrophobicContact CD1-CE2 3.66Å; L469-F473 HydrophobicContact CB-CB 4.21Å; L469-F473 HydrophobicContact CB-CG 4.41Å; L469-F473 HydrophobicContact CD1-CD1 4.03Å; L469-F473 HydrophobicContact CD1-CE1 4.4Å; P470-F473 HydrophobicContact CB-CB 4.31Å; P470-F473 HydrophobicContact CG-CD2 4.37Å; P470-F473 WeakPolarHBondContact O-CB 3.49Å; P470-F473 PolarHBondContact O-N 3.32Å; P471-F473 VanDerWaalsContact C-N 3.27Å; P471-F473 PolarHBondContact O-N 2.93Å; F473-K476 PolarHBondContact O-N 3.17Å; F473-F477 HydrophobicContact CD1-CB 4.21Å; F473-F477 HydrophobicContact CD1-CD2 4.15Å; F473-F477 HydrophobicContact CD2-CD2 4.4Å; F473-F477 HydrophobicContact CE1-CB 4.02Å; F473-F477 AromaticContact CE1-CD2 3.92Å; F473-F477 HydrophobicContact CE1-CD2 3.92Å; F473-F477 HydrophobicContact CE1-CG 4.38Å; F473-F477 HydrophobicContact CE2-CD2 4.19Å; F473-F477 HydrophobicContact CG-CD2 4.39Å; F473-F477 AromaticContact CZ-CD2 3.94Å; F473-F477 HydrophobicContact CZ-CD2 3.94Å; F473-F477 WeakPolarHBondContact O-CA 3.18Å; F473-F477 PolarHBondContact O-N 3.32Å; F473-A480 HydrophobicContact CE1-CB 4.47Å; F473-V481 HydrophobicContact CD1-CG2 3.69Å; F473-V481 HydrophobicContact CE1-CG2 4.41Å; F473-F507 HydrophobicContact CE1-CE1 4.36Å; F473-F507 AromaticContact CE1-CZ 3.87Å; F473-F507 HydrophobicContact CE1-CZ 3.87Å; F473-F507 HydrophobicContact CZ-CE1 4.1Å; F473-F507 HydrophobicContact CZ-CE2 4.03Å; F473-F507 AromaticContact CZ-CZ 3.63Å; F473-F507 HydrophobicContact CZ-CZ 3.63Å; F473-F523 HydrophobicContact CE1-CD1 4.05Å; F473-F523 AromaticContact CE1-CE1 3.6Å; F473-F523 HydrophobicContact CE1-CE1 3.6Å; F473-F523 HydrophobicContact CE1-CZ 4.33Å; F473-F523 HydrophobicContact CZ-CD1 4.34Å; F473-F523 AromaticContact CZ-CE1 3.71Å; F473-F523 HydrophobicContact CZ-CE1 3.71Å; F473-F523 AromaticContact CZ-CZ 3.97Å; F473-F523 HydrophobicContact CZ-CZ 3.97Å
474	E	96.6	Very high	97.9	Very high	75 Å²	75	39.8 Å²	39.8	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-65.7	-39.1	176.5	-176.9	165.7	-162.6	0	0	112.8	W472 K476 P478 V481 R485	W472-E474 VanDerWaalsContact C-N 3.3Å; W472-E474 PolarHBondContact O-N 3.26Å; E474-K476 VanDerWaalsContact C-N 3.33Å; E474-K476 PolarHBondContact O-N 3.07Å; E474-P478 WeakPolarHBondContact O-CA 3.49Å; E474-P478 WeakPolarHBondContact O-CB 3.5Å; E474-P478 VanDerWaalsContact O-CD 3.31Å; E474-P478 WeakPolarHBondContact O-CD 3.4Å; E474-P478 VanDerWaalsContact O-N 3.09Å; E474-V481 HydrophobicContact CB-CB 4.24Å; E474-V481 HydrophobicContact CB-CG1 4.13Å; E474-V481 HydrophobicContact CB-CG2 3.96Å; E474-V481 HydrophobicContact CG-CB 4.22Å; E474-V481 HydrophobicContact CG-CG1 4.09Å; E474-V481 HydrophobicContact CG-CG2 4.45Å; E474-R485 IonicContact OE1-CZ 2.69Å; E474-R485 IonicContact OE1-NH1 3.36Å; E474-R485 PolarHBondContact OE1-NH1 3.49Å; E474-R485 IonicContact OE1-NH2 3.71Å; E474-R485 PolarHBondContact OE1-NH2 2.99Å; E474-R485 IonicContact OE2-CZ 3.11Å; E474-R485 IonicContact OE2-NH1 2.85Å; E474-R485 IonicContact OE2-NH2 2.65Å; E474-R485 PolarHBondContact OE2-NH2 3.02Å
475	Q	97.1	Very high	97.9	Very high	172 Å²	172	44 Å²	44	80%	0.804	21%	0.213	S	C	*	.	H	α-helix	trans	-66	-39.4	178.8	-62.9	177.8	6.7	0	0	111.1	W472	W472-Q475 PolarHBondContact O-N 3.03Å; W472-Q475 VanDerWaalsContact O-N 3.14Å
476	K	96.8	Very high	97.8	Very high	99 Å²	99	48.3 Å²	48.3	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-80.4	-36.6	-179.6	-168.4	174.5	174.8	-167.8	0	113.1	G226 W472 F473 E474	G226-K476 PolarHBondContact O-NZ 3.03Å; W472-K476 HydrophobicContact CE3-CB 4.07Å; W472-K476 HydrophobicContact CE3-CD 4.24Å; W472-K476 HydrophobicContact CZ3-CB 4.26Å; W472-K476 HydrophobicContact CZ3-CD 3.91Å; W472-K476 PolarHBondContact O-N 3.11Å; F473-K476 PolarHBondContact O-N 3.17Å; E474-K476 VanDerWaalsContact C-N 3.33Å; E474-K476 PolarHBondContact O-N 3.07Å
477	F	97.5	Very high	97.8	Very high	25 Å²	25	48.3 Å²	48.3	11%	0.11	23%	0.231	C	C	.	.			trans	-132.7	60.5	-173.8	-56.1	-66.5	0	0	0	112.7	F227 W472 F473 S479 A480 V481 F507	F227-F477 HydrophobicContact CD1-CE2 4.06Å; F227-F477 HydrophobicContact CD1-CZ 4.45Å; F227-F477 HydrophobicContact CE1-CD2 4.36Å; F227-F477 AromaticContact CE1-CE2 3.48Å; F227-F477 HydrophobicContact CE1-CE2 3.48Å; F227-F477 VanDerWaalsContact CE1-CE2 3.48Å; F227-F477 HydrophobicContact CE1-CZ 4.09Å; F227-F477 HydrophobicContact CZ-CE2 4.2Å; W472-F477 HydrophobicContact CZ3-CD2 4.47Å; W472-F477 HydrophobicContact CZ3-CE2 4.24Å; F473-F477 HydrophobicContact CD1-CB 4.21Å; F473-F477 HydrophobicContact CD1-CD2 4.15Å; F473-F477 HydrophobicContact CD2-CD2 4.4Å; F473-F477 HydrophobicContact CE1-CB 4.02Å; F473-F477 AromaticContact CE1-CD2 3.92Å; F473-F477 HydrophobicContact CE1-CD2 3.92Å; F473-F477 HydrophobicContact CE1-CG 4.38Å; F473-F477 HydrophobicContact CE2-CD2 4.19Å; F473-F477 HydrophobicContact CG-CD2 4.39Å; F473-F477 AromaticContact CZ-CD2 3.94Å; F473-F477 HydrophobicContact CZ-CD2 3.94Å; F473-F477 WeakPolarHBondContact O-CA 3.18Å; F473-F477 PolarHBondContact O-N 3.32Å; F477-S479 VanDerWaalsContact C-N 3.26Å; F477-S479 PolarHBondContact O-N 2.93Å; F477-S479 VanDerWaalsContact O-N 3.17Å; F477-A480 HydrophobicContact CB-CB 4.01Å; F477-A480 PolarHBondContact O-N 2.81Å; F477-V481 PolarHBondContact O-N 3.47Å; F477-V481 VanDerWaalsContact O-N 3.14Å; F477-F507 HydrophobicContact CB-CE1 3.9Å; F477-F507 HydrophobicContact CB-CZ 4.48Å; F477-F507 AromaticContact CD1-CD1 3.83Å; F477-F507 HydrophobicContact CD1-CD1 3.83Å; F477-F507 AromaticContact CD1-CE1 3.48Å; F477-F507 HydrophobicContact CD1-CE1 3.48Å; F477-F507 VanDerWaalsContact CD1-CE1 3.48Å; F477-F507 HydrophobicContact CD2-CD1 4.12Å; F477-F507 AromaticContact CD2-CE1 3.66Å; F477-F507 HydrophobicContact CD2-CE1 3.66Å; F477-F507 AromaticContact CE1-CD1 3.57Å; F477-F507 HydrophobicContact CE1-CD1 3.57Å; F477-F507 AromaticContact CE1-CE1 3.76Å; F477-F507 HydrophobicContact CE1-CE1 3.76Å; F477-F507 AromaticContact CE2-CD1 3.89Å; F477-F507 HydrophobicContact CE2-CD1 3.89Å; F477-F507 AromaticContact CE2-CE1 3.94Å; F477-F507 HydrophobicContact CE2-CE1 3.94Å; F477-F507 HydrophobicContact CG-CD1 4.07Å; F477-F507 AromaticContact CG-CE1 3.41Å; F477-F507 HydrophobicContact CG-CE1 3.41Å; F477-F507 VanDerWaalsContact CG-CE1 3.41Å; F477-F507 HydrophobicContact CG-CZ 4.35Å; F477-F507 AromaticContact CZ-CD1 3.59Å; F477-F507 HydrophobicContact CZ-CD1 3.59Å; F477-F507 AromaticContact CZ-CE1 3.96Å; F477-F507 HydrophobicContact CZ-CE1 3.96Å
478	P	97.8	Very high	97.8	Very high	55 Å²	55	48.3 Å²	48.3	36%	0.357	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-33.1	-171	24.4	-35.3	0	0	0	112.7	E474 R482	E474-P478 WeakPolarHBondContact O-CA 3.49Å; E474-P478 WeakPolarHBondContact O-CB 3.5Å; E474-P478 VanDerWaalsContact O-CD 3.31Å; E474-P478 WeakPolarHBondContact O-CD 3.4Å; E474-P478 VanDerWaalsContact O-N 3.09Å; P478-R482 WeakPolarHBondContact O-CG 3.1Å; P478-R482 PolarHBondContact O-N 3.43Å; P478-R482 PolarHBondContact O-NH1 2.66Å
479	S	98	Very high	97.6	Very high	39 Å²	39	52.1 Å²	52.1	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-67	-39.5	176.6	-55.6	0	0	0	0	112.4	F477 R482 N483	F477-S479 VanDerWaalsContact C-N 3.26Å; F477-S479 PolarHBondContact O-N 2.93Å; F477-S479 VanDerWaalsContact O-N 3.17Å; S479-R482 PolarHBondContact O-N 2.96Å; S479-R482 PolarHBondContact OG-NH2 3.19Å; S479-N483 PolarHBondContact O-N 3.34Å; S479-N483 PolarHBondContact O-ND2 3.14Å; S479-N483 PolarHBondContact O-OD1 3.43Å
480	A	98.4	Very high	97.5	Very high	8 Å²	8	53.4 Å²	53.4	7%	0.066	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-40.8	179	0	0	0	0	0	111.5	F473 F477 N483 V484 F507 F523	F473-A480 HydrophobicContact CE1-CB 4.47Å; F477-A480 HydrophobicContact CB-CB 4.01Å; F477-A480 PolarHBondContact O-N 2.81Å; A480-N483 WeakPolarHBondContact O-CB 3.24Å; A480-N483 PolarHBondContact O-N 3.3Å; A480-V484 WeakPolarHBondContact O-CG2 3.02Å; A480-V484 PolarHBondContact O-N 3.14Å; A480-F507 HydrophobicContact CB-CE1 4.25Å; A480-F507 HydrophobicContact CB-CZ 3.69Å; A480-F523 HydrophobicContact CB-CB 3.99Å; A480-F523 HydrophobicContact CB-CD1 3.94Å; A480-F523 HydrophobicContact CB-CG 4.37Å
481	V	98.3	Very high	97.5	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-40.4	176.5	178	0	0	0	0	111.9	L469 F473 E474 F477 N483 V484 R485	L469-V481 HydrophobicContact CD1-CG2 3.93Å; F473-V481 HydrophobicContact CD1-CG2 3.69Å; F473-V481 HydrophobicContact CE1-CG2 4.41Å; E474-V481 HydrophobicContact CB-CB 4.24Å; E474-V481 HydrophobicContact CB-CG1 4.13Å; E474-V481 HydrophobicContact CB-CG2 3.96Å; E474-V481 HydrophobicContact CG-CB 4.22Å; E474-V481 HydrophobicContact CG-CG1 4.09Å; E474-V481 HydrophobicContact CG-CG2 4.45Å; F477-V481 PolarHBondContact O-N 3.47Å; F477-V481 VanDerWaalsContact O-N 3.14Å; V481-N483 VanDerWaalsContact C-N 3.27Å; V481-N483 PolarHBondContact O-N 3.03Å; V481-V484 PolarHBondContact O-N 3.03Å; V481-R485 WeakPolarHBondContact O-CG 3.49Å; V481-R485 PolarHBondContact O-N 3.42Å
482	R	98.3	Very high	97.6	Very high	136 Å²	136	48.9 Å²	48.9	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-40.6	171.9	-75.3	-167.3	-53	-87.9	0.5	112	P478 S479 R485 K486	P478-R482 WeakPolarHBondContact O-CG 3.1Å; P478-R482 PolarHBondContact O-N 3.43Å; P478-R482 PolarHBondContact O-NH1 2.66Å; S479-R482 PolarHBondContact O-N 2.96Å; S479-R482 PolarHBondContact OG-NH2 3.19Å; R482-R485 PolarHBondContact O-N 3.2Å; R482-K486 WeakPolarHBondContact O-CB 2.98Å; R482-K486 PolarHBondContact O-N 3.14Å
483	N	98.7	Very high	97.7	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-46.2	176.2	-72.1	-11.4	0	0	0	111.4	S479 A480 V481 R485 K486 N487 K511 L522 F523 E525	S479-N483 PolarHBondContact O-N 3.34Å; S479-N483 PolarHBondContact O-ND2 3.14Å; S479-N483 PolarHBondContact O-OD1 3.43Å; A480-N483 WeakPolarHBondContact O-CB 3.24Å; A480-N483 PolarHBondContact O-N 3.3Å; V481-N483 VanDerWaalsContact C-N 3.27Å; V481-N483 PolarHBondContact O-N 3.03Å; N483-R485 PolarHBondContact O-N 3.49Å; N483-K486 PolarHBondContact O-N 3.17Å; N483-N487 VanDerWaalsContact O-CB 3.23Å; N483-N487 WeakPolarHBondContact O-CB 3.15Å; N483-N487 PolarHBondContact O-N 2.92Å; N483-N487 PolarHBondContact O-ND2 2.94Å; N483-N487 PolarHBondContact O-OD1 3.4Å; N483-K511 PolarHBondContact ND2-O 2.95Å; N483-L522 CarbonylContact C-O 3.59Å; N483-F523 WeakPolarHBondContact CB-O 3.43Å; N483-F523 PolarHBondContact ND2-O 3.17Å; N483-E525 PolarHBondContact ND2-N 2.7Å; N483-E525 VanDerWaalsContact ND2-N 3.17Å
484	V	98.8	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-50.9	175.2	170.8	0	0	0	0	110.9	T264 I467 L469 A480 V481 K486 N487 G488 L522 F523	T264-V484 HydrophobicContact CG2-CG1 4.13Å; I467-V484 HydrophobicContact CG2-CG1 3.56Å; L469-V484 HydrophobicContact CD1-CG2 4.42Å; A480-V484 WeakPolarHBondContact O-CG2 3.02Å; A480-V484 PolarHBondContact O-N 3.14Å; V481-V484 PolarHBondContact O-N 3.03Å; V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 3.44Å; V484-N487 CarbonylContact O-C 3.6Å; V484-N487 PolarHBondContact O-N 3.28Å; V484-N487 VanDerWaalsContact O-N 3.13Å; V484-G488 PolarHBondContact O-N 3.03Å; V484-L522 WeakPolarHBondContact CA-O 3.43Å; V484-L522 HydrophobicContact CG2-CB 4.2Å; V484-L522 VanDerWaalsContact CG2-O 3.23Å; V484-L522 WeakPolarHBondContact CG2-O 3.39Å; V484-L522 PolarHBondContact N-O 2.91Å; V484-F523 HydrophobicContact CG2-CD1 3.62Å; V484-F523 HydrophobicContact CG2-CE1 3.95Å; V484-F523 HydrophobicContact CG2-CG 4.42Å
485	R	98.4	Very high	97.9	Very high	89 Å²	89	42.5 Å²	42.5	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-58.5	-43.1	178	-71.3	179.6	179.9	145.3	7.7	112.6	N262 E474 V481 R482 N483 G488	N262-R485 PolarHBondContact ND2-NH2 3.49Å; E474-R485 IonicContact OE1-CZ 2.69Å; E474-R485 IonicContact OE1-NH1 3.36Å; E474-R485 PolarHBondContact OE1-NH1 3.49Å; E474-R485 IonicContact OE1-NH2 3.71Å; E474-R485 PolarHBondContact OE1-NH2 2.99Å; E474-R485 IonicContact OE2-CZ 3.11Å; E474-R485 IonicContact OE2-NH1 2.85Å; E474-R485 IonicContact OE2-NH2 2.65Å; E474-R485 PolarHBondContact OE2-NH2 3.02Å; V481-R485 WeakPolarHBondContact O-CG 3.49Å; V481-R485 PolarHBondContact O-N 3.42Å; R482-R485 PolarHBondContact O-N 3.2Å; N483-R485 PolarHBondContact O-N 3.49Å; R485-G488 PolarHBondContact O-N 3.47Å
486	K	98	Very high	98	Very high	89 Å²	89	34.3 Å²	34.3	39%	0.387	16%	0.16	S	C	.	.	H	α-helix	trans	-66	-39.7	176.7	-172.2	169.4	178.6	179.3	0	111.7	R482 N483 V484 G488 N489 E525	R482-K486 WeakPolarHBondContact O-CB 2.98Å; R482-K486 PolarHBondContact O-N 3.14Å; N483-K486 PolarHBondContact O-N 3.17Å; V484-K486 VanDerWaalsContact C-N 3.34Å; V484-K486 PolarHBondContact O-N 3.44Å; K486-G488 PolarHBondContact O-N 3.03Å; K486-N489 PolarHBondContact O-N 2.77Å; K486-N489 VanDerWaalsContact O-N 3.16Å; K486-E525 HydrophobicContact CD-CG 4.11Å; K486-E525 VanDerWaalsContact CE-CD 3.41Å; K486-E525 WeakPolarHBondContact CE-OE1 3.45Å; K486-E525 IonicContact NZ-OE1 2.7Å; K486-E525 PolarHBondContact NZ-OE1 2.76Å; K486-E525 IonicContact NZ-OE2 3.17Å; K486-E525 PolarHBondContact NZ-OE2 2.63Å
487	N	98.3	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.5	-19.7	178.4	-68.8	-18.7	0	0	0	113.3	N483 V484 N489 R490 L522 S524 I526	N483-N487 VanDerWaalsContact O-CB 3.23Å; N483-N487 WeakPolarHBondContact O-CB 3.15Å; N483-N487 PolarHBondContact O-N 2.92Å; N483-N487 PolarHBondContact O-ND2 2.94Å; N483-N487 PolarHBondContact O-OD1 3.4Å; V484-N487 CarbonylContact O-C 3.6Å; V484-N487 PolarHBondContact O-N 3.28Å; V484-N487 VanDerWaalsContact O-N 3.13Å; N487-N489 PolarHBondContact O-N 2.95Å; N487-N489 VanDerWaalsContact O-N 3.08Å; N487-R490 PolarHBondContact O-N 3.46Å; N487-L522 HydrophobicContact CB-CD2 4.25Å; N487-L522 PolarHBondContact ND2-O 2.86Å; N487-S524 PolarHBondContact ND2-O 3.05Å; N487-I526 HydrophobicContact CB-CD1 4.16Å; N487-I526 WeakPolarHBondContact OD1-CB 3.22Å; N487-I526 PolarHBondContact OD1-N 3.45Å
488	G	97.6	Very high	98.1	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-28	167.4	0	0	0	0	0	113	V265 E267 V484 R485 K486	V265-G488 VanDerWaalsContact O-CA 3.25Å; V265-G488 WeakPolarHBondContact O-CA 3.36Å; E267-G488 WeakPolarHBondContact CB-O 3.21Å; E267-G488 PolarHBondContact N-O 3.24Å; V484-G488 PolarHBondContact O-N 3.03Å; R485-G488 PolarHBondContact O-N 3.47Å; K486-G488 PolarHBondContact O-N 3.03Å
489	N	96.1	Very high	98.2	Very high	84 Å²	84	28.1 Å²	28.1	45%	0.449	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	30.7	176.2	-68.5	-67	0	0	0	112.9	M268 K486 N487	M268-N489 VanDerWaalsContact SD-O 3.33Å; K486-N489 PolarHBondContact O-N 2.77Å; K486-N489 VanDerWaalsContact O-N 3.16Å; N487-N489 PolarHBondContact O-N 2.95Å; N487-N489 VanDerWaalsContact O-N 3.08Å
490	R	96.5	Very high	98.2	Very high	59 Å²	59	26.3 Å²	26.3	22%	0.223	12%	0.119	C	C	.	.	S	Bend	trans	-123.4	152.7	175.1	-64.4	-63.5	-165.3	-148.1	-2.4	110.9	M268 N487 T492 I526 A528	M268-R490 WeakPolarHBondContact CB-O 3.34Å; N487-R490 PolarHBondContact O-N 3.46Å; R490-T492 PolarHBondContact O-N 3.23Å; R490-T492 PolarHBondContact O-OG1 2.99Å; R490-I526 HydrophobicContact CB-CB 4.04Å; R490-I526 HydrophobicContact CB-CG2 4.04Å; R490-I526 HydrophobicContact CG-CB 4.2Å; R490-I526 HydrophobicContact CG-CG2 4.5Å; R490-I526 PolarHBondContact NE-O 2.9Å; R490-A528 VanDerWaalsContact CZ-CA 3.45Å; R490-A528 VanDerWaalsContact CZ-CB 3.43Å; R490-A528 VanDerWaalsContact NH1-CB 3.3Å
491	L	96.9	Very high	98.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.116	C	C	.	.			trans	-57.5	115.3	171.1	179.5	62.6	0	0	0	109.7	C107 N270 R530 D531 A535 I537	C107-L491 HydrophobicContact CB-CB 3.84Å; C107-L491 HydrophobicContact CB-CD2 3.96Å; C107-L491 HydrophobicContact CB-CG 4.38Å; N270-L491 HydrophobicContact CB-CD1 3.84Å; L491-R530 PolarHBondContact O-NH1 3.44Å; L491-D531 WeakPolarHBondContact CD2-O 3.45Å; L491-A535 HydrophobicContact CD2-CB 3.85Å; L491-A535 HydrophobicContact CG-CB 4.36Å; L491-I537 HydrophobicContact CD1-CD1 3.84Å; L491-I537 HydrophobicContact CD2-CD1 4.07Å; L491-I537 HydrophobicContact CG-CD1 4.25Å
492	T	98.4	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-128.7	157.6	-179.9	45.7	0	0	0	0	110.1	M268 Y269 N270 R490 D496 L522 I526	M268-T492 PolarHBondContact O-N 3.49Å; Y269-T492 WeakPolarHBondContact CA-O 3.14Å; Y269-T492 WeakPolarHBondContact CA-OG1 3.42Å; N270-T492 PolarHBondContact N-O 2.64Å; R490-T492 PolarHBondContact O-N 3.23Å; R490-T492 PolarHBondContact O-OG1 2.99Å; T492-D496 VanDerWaalsContact CA-OD2 3.25Å; T492-D496 WeakPolarHBondContact CA-OD2 3.43Å; T492-L522 HydrophobicContact CG2-CD2 3.59Å; T492-I526 HydrophobicContact CG2-CD1 3.4Å; T492-I526 VanDerWaalsContact CG2-CD1 3.4Å
493	T	98.4	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.			trans	-145.4	166.7	-171.1	62.9	0	0	0	0	110.7	V272 F495 D496 L497 A535 I537	V272-T493 HydrophobicContact CG1-CG2 4.21Å; T493-F495 PolarHBondContact O-N 3.16Å; T493-F495 VanDerWaalsContact O-N 3.15Å; T493-F495 PolarHBondContact OG1-N 3.39Å; T493-D496 PolarHBondContact N-OD2 3.2Å; T493-D496 WeakPolarHBondContact O-CB 3.35Å; T493-D496 PolarHBondContact O-N 2.78Å; T493-D496 PolarHBondContact OG1-N 3.37Å; T493-D496 PolarHBondContact OG1-OD2 3.35Å; T493-L497 PolarHBondContact O-N 3.42Å; T493-A535 HydrophobicContact CG2-CB 4.04Å; T493-I537 HydrophobicContact CG2-CD1 3.68Å; T493-I537 HydrophobicContact CG2-CG1 3.8Å
494	P	98.7	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-46.1	-36.4	165.3	-35.1	38.7	0	0	0	115.2	Y269 N270 V272 I283 D496 L497 H498	Y269-P494 HydrophobicContact CE1-CG 4.41Å; Y269-P494 VanDerWaalsContact CZ-CD 3.49Å; Y269-P494 VanDerWaalsContact OH-CA 3.31Å; Y269-P494 WeakPolarHBondContact OH-CA 3.3Å; Y269-P494 VanDerWaalsContact OH-CD 3.23Å; Y269-P494 WeakPolarHBondContact OH-CD 3.31Å; Y269-P494 WeakPolarHBondContact OH-CG 3.46Å; N270-P494 WeakPolarHBondContact O-CD 3.33Å; V272-P494 HydrophobicContact CG1-CG 4.36Å; V272-P494 HydrophobicContact CG2-CB 4.45Å; V272-P494 HydrophobicContact CG2-CG 4.02Å; I283-P494 HydrophobicContact CG1-CB 3.9Å; P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 PolarHBondContact O-N 3.48Å; P494-L497 WeakPolarHBondContact O-CB 3.36Å; P494-L497 PolarHBondContact O-N 2.98Å; P494-H498 PolarHBondContact O-N 3.17Å; P494-H498 VanDerWaalsContact O-N 3.08Å
495	F	98.7	Very high	97.9	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-30.9	178.4	-59.1	-63.2	0	0	0	112.9	V272 S282 G286 T288 T493 H498 A499 R518	V272-F495 HydrophobicContact CB-CE2 4.13Å; V272-F495 HydrophobicContact CG1-CD2 4.08Å; V272-F495 HydrophobicContact CG1-CE2 3.73Å; V272-F495 HydrophobicContact CG2-CE2 4.3Å; V272-F495 HydrophobicContact CG2-CZ 4.48Å; S282-F495 WeakPolarHBondContact OG-CE1 3.16Å; S282-F495 WeakPolarHBondContact OG-CZ 3.36Å; G286-F495 WeakPolarHBondContact O-CD1 2.97Å; T288-F495 HydrophobicContact CG2-CE1 4.5Å; T288-F495 HydrophobicContact CG2-CZ 3.8Å; T493-F495 PolarHBondContact O-N 3.16Å; T493-F495 VanDerWaalsContact O-N 3.15Å; T493-F495 PolarHBondContact OG1-N 3.39Å; F495-H498 PolarHBondContact O-N 3.13Å; F495-A499 WeakPolarHBondContact O-CB 3.25Å; F495-A499 PolarHBondContact O-N 3.18Å; F495-R518 HydrophobicContact CG-CG 4.44Å
496	D	98.9	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-72	-36.6	176.3	-58.1	-54	0	0	0	111.1	T492 T493 P494 A499 T500 I520 R530	T492-D496 VanDerWaalsContact CA-OD2 3.25Å; T492-D496 WeakPolarHBondContact CA-OD2 3.43Å; T493-D496 PolarHBondContact N-OD2 3.2Å; T493-D496 WeakPolarHBondContact O-CB 3.35Å; T493-D496 PolarHBondContact O-N 2.78Å; T493-D496 PolarHBondContact OG1-N 3.37Å; T493-D496 PolarHBondContact OG1-OD2 3.35Å; P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 PolarHBondContact O-N 3.48Å; D496-A499 PolarHBondContact O-N 3.49Å; D496-T500 WeakPolarHBondContact O-CB 3.02Å; D496-T500 PolarHBondContact O-N 2.94Å; D496-T500 PolarHBondContact O-OG1 3.31Å; D496-I520 WeakPolarHBondContact CA-O 3.15Å; D496-I520 VanDerWaalsContact CB-O 3.26Å; D496-I520 WeakPolarHBondContact CB-O 3.22Å; D496-I520 PolarHBondContact OD1-N 3.04Å; D496-R530 VanDerWaalsContact CG-NH2 3.32Å; D496-R530 IonicContact OD1-CZ 3.3Å; D496-R530 VanDerWaalsContact OD1-CZ 3.32Å; D496-R530 IonicContact OD1-NH1 3.18Å; D496-R530 PolarHBondContact OD1-NH1 3.16Å; D496-R530 IonicContact OD1-NH2 2.71Å; D496-R530 PolarHBondContact OD1-NH2 3.01Å; D496-R530 IonicContact OD2-CZ 3.56Å; D496-R530 IonicContact OD2-NH1 3.44Å; D496-R530 PolarHBondContact OD2-NH1 3.22Å; D496-R530 IonicContact OD2-NH2 3.51Å; D496-R530 PolarHBondContact OD2-NH2 2.88Å
497	L	98.8	Very high	97.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-46	171.6	-62.4	178.7	0	0	0	110.2	F235 L266 Y269 I283 V465 T493 P494 A499 T500 L501 L522	F235-L497 HydrophobicContact CE1-CD1 4.33Å; L266-L497 HydrophobicContact CD1-CD2 4.21Å; Y269-L497 HydrophobicContact CE2-CD1 3.77Å; Y269-L497 HydrophobicContact CE2-CG 4.04Å; Y269-L497 WeakPolarHBondContact OH-CD1 3.45Å; I283-L497 HydrophobicContact CD1-CD1 3.94Å; I283-L497 HydrophobicContact CG1-CB 4.28Å; I283-L497 HydrophobicContact CG1-CD1 4.06Å; I283-L497 HydrophobicContact CG2-CB 4.48Å; V465-L497 HydrophobicContact CG1-CD1 4.19Å; V465-L497 HydrophobicContact CG1-CD2 4.33Å; T493-L497 PolarHBondContact O-N 3.42Å; P494-L497 WeakPolarHBondContact O-CB 3.36Å; P494-L497 PolarHBondContact O-N 2.98Å; L497-A499 PolarHBondContact O-N 3.02Å; L497-T500 WeakPolarHBondContact O-CA 3.27Å; L497-T500 VanDerWaalsContact O-CB 3.29Å; L497-T500 WeakPolarHBondContact O-CB 3.48Å; L497-T500 PolarHBondContact O-N 3.08Å; L497-T500 VanDerWaalsContact O-N 3.13Å; L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.97Å; L497-L522 HydrophobicContact CD2-CD1 3.9Å
498	H	98.8	Very high	97.6	Very high	29 Å²	29	24.3 Å²	24.3	13%	0.134	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-49.4	174.4	-173.6	80.7	0	0	0	112.5	S282 I283 T285 G286 P494 F495 T500 L501 K502	S282-H498 WeakPolarHBondContact O-CB 3.34Å; I283-H498 WeakPolarHBondContact O-CB 3.4Å; I283-H498 PolarHBondContact O-ND1 2.8Å; T285-H498 VanDerWaalsContact C-CE1 3.41Å; G286-H498 VanDerWaalsContact CA-CD2 3.42Å; G286-H498 WeakPolarHBondContact CA-CD2 3.41Å; G286-H498 VanDerWaalsContact CA-CG 3.42Å; G286-H498 PolarHBondContact N-CE1 3Å; G286-H498 PolarHBondContact N-ND1 3.31Å; P494-H498 PolarHBondContact O-N 3.17Å; P494-H498 VanDerWaalsContact O-N 3.08Å; F495-H498 PolarHBondContact O-N 3.13Å; H498-T500 PolarHBondContact O-N 2.8Å; H498-L501 PolarHBondContact O-N 3.45Å; H498-L501 VanDerWaalsContact O-N 3.15Å; H498-K502 WeakPolarHBondContact O-CG 2.98Å; H498-K502 PolarHBondContact O-N 3.28Å
499	A	98.7	Very high	97.6	Very high	20 Å²	20	25.3 Å²	25.3	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-33	177	0	0	0	0	0	112.4	F495 D496 L497 K502 S503	F495-A499 WeakPolarHBondContact O-CB 3.25Å; F495-A499 PolarHBondContact O-N 3.18Å; D496-A499 PolarHBondContact O-N 3.49Å; L497-A499 PolarHBondContact O-N 3.02Å; A499-K502 PolarHBondContact O-N 3.42Å; A499-S503 WeakPolarHBondContact O-CB 3.28Å; A499-S503 PolarHBondContact O-N 3.14Å
500	T	98.8	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-47.3	174.2	-57.2	0	0	0	0	110.8	I467 D496 L497 H498 K502 S503 L504 L522 F523	I467-T500 HydrophobicContact CD1-CG2 4.47Å; D496-T500 WeakPolarHBondContact O-CB 3.02Å; D496-T500 PolarHBondContact O-N 2.94Å; D496-T500 PolarHBondContact O-OG1 3.31Å; L497-T500 WeakPolarHBondContact O-CA 3.27Å; L497-T500 VanDerWaalsContact O-CB 3.29Å; L497-T500 WeakPolarHBondContact O-CB 3.48Å; L497-T500 PolarHBondContact O-N 3.08Å; L497-T500 VanDerWaalsContact O-N 3.13Å; H498-T500 PolarHBondContact O-N 2.8Å; T500-K502 PolarHBondContact O-N 2.91Å; T500-S503 PolarHBondContact O-N 3.45Å; T500-S503 PolarHBondContact O-OG 3.2Å; T500-L504 PolarHBondContact O-N 2.86Å; T500-L522 HydrophobicContact CG2-CB 4.24Å; T500-L522 WeakPolarHBondContact OG1-CG 3.45Å; T500-L522 PolarHBondContact OG1-N 2.85Å; T500-F523 HydrophobicContact CG2-CD2 3.79Å; T500-F523 HydrophobicContact CG2-CE2 3.42Å; T500-F523 VanDerWaalsContact CG2-CE2 3.42Å; T500-F523 HydrophobicContact CG2-CZ 4.19Å
501	L	98.5	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-46.6	175.6	-58.8	-172.5	0	0	0	111.7	I233 F235 I311 F396 I438 L497 H498 S503 L504	I233-L501 HydrophobicContact CD1-CD2 4.21Å; I233-L501 HydrophobicContact CG1-CD2 4.42Å; I233-L501 HydrophobicContact CG2-CD2 3.69Å; F235-L501 HydrophobicContact CE2-CD1 3.73Å; F235-L501 HydrophobicContact CE2-CD2 3.74Å; F235-L501 HydrophobicContact CE2-CG 4.23Å; F235-L501 HydrophobicContact CZ-CD1 3.91Å; F235-L501 HydrophobicContact CZ-CD2 3.91Å; F235-L501 HydrophobicContact CZ-CG 4.19Å; I311-L501 HydrophobicContact CG1-CB 4.49Å; I311-L501 HydrophobicContact CG1-CD1 4.36Å; I311-L501 HydrophobicContact CG2-CD1 4.27Å; F396-L501 HydrophobicContact CE2-CD1 4.34Å; I438-L501 HydrophobicContact CD1-CD2 4.5Å; L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.97Å; H498-L501 PolarHBondContact O-N 3.45Å; H498-L501 VanDerWaalsContact O-N 3.15Å; L501-S503 VanDerWaalsContact C-N 3.25Å; L501-S503 PolarHBondContact O-N 3.29Å; L501-L504 HydrophobicContact CD2-CD1 4.45Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 2.81Å
502	K	97.7	Very high	97.7	Very high	81 Å²	81	34.5 Å²	34.5	35%	0.352	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-39	176.9	-69.1	-71	-67.1	-175.6	0	112.1	I311 E314 H498 A499 T500 L504 L505	I311-K502 HydrophobicContact CD1-CD 3.58Å; I311-K502 HydrophobicContact CD1-CG 4.25Å; E314-K502 IonicContact OE1-NZ 3Å; E314-K502 PolarHBondContact OE1-NZ 3.04Å; E314-K502 WeakPolarHBondContact OE2-CD 3.38Å; E314-K502 IonicContact OE2-NZ 2.78Å; E314-K502 PolarHBondContact OE2-NZ 3.08Å; H498-K502 WeakPolarHBondContact O-CG 2.98Å; H498-K502 PolarHBondContact O-N 3.28Å; A499-K502 PolarHBondContact O-N 3.42Å; T500-K502 PolarHBondContact O-N 2.91Å; K502-L504 VanDerWaalsContact C-N 3.26Å; K502-L504 PolarHBondContact O-N 3.44Å; K502-L505 PolarHBondContact O-N 3.04Å
503	S	97.7	Very high	97.7	Very high	11 Å²	11	35.1 Å²	35.1	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-68.9	-20.6	178.6	71.5	0	0	0	0	114.3	A499 T500 L501 L505 N506 F507 S521 F523	A499-S503 WeakPolarHBondContact O-CB 3.28Å; A499-S503 PolarHBondContact O-N 3.14Å; T500-S503 PolarHBondContact O-N 3.45Å; T500-S503 PolarHBondContact O-OG 3.2Å; L501-S503 VanDerWaalsContact C-N 3.25Å; L501-S503 PolarHBondContact O-N 3.29Å; S503-L505 PolarHBondContact O-N 3.44Å; S503-N506 CarbonylContact O-C 3.53Å; S503-N506 PolarHBondContact O-N 3.1Å; S503-N506 VanDerWaalsContact O-O 3.05Å; S503-F507 WeakPolarHBondContact O-CD2 3.35Å; S503-S521 WeakPolarHBondContact CB-OG 3.44Å; S503-S521 PolarHBondContact OG-OG 3.36Å; S503-F523 WeakPolarHBondContact OG-CD2 3.43Å
504	L	97.7	Very high	97.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-20.2	175.1	-66.1	173.3	0	0	0	112.9	F227 L231 I233 V436 T500 L501 K502 F523	F227-L504 VanDerWaalsContact CE2-O 3.31Å; F227-L504 WeakPolarHBondContact CE2-O 3.45Å; F227-L504 HydrophobicContact CZ-CD2 4.28Å; L231-L504 HydrophobicContact CD1-CD2 4.43Å; I233-L504 HydrophobicContact CD1-CD1 4Å; I233-L504 HydrophobicContact CG1-CD1 3.88Å; V436-L504 HydrophobicContact CB-CD1 4.35Å; V436-L504 HydrophobicContact CG2-CD1 3.98Å; V436-L504 HydrophobicContact CG2-CD2 4.14Å; T500-L504 PolarHBondContact O-N 2.86Å; L501-L504 HydrophobicContact CD2-CD1 4.45Å; L501-L504 WeakPolarHBondContact O-CB 3.35Å; L501-L504 PolarHBondContact O-N 2.81Å; K502-L504 VanDerWaalsContact C-N 3.26Å; K502-L504 PolarHBondContact O-N 3.44Å; L504-F523 HydrophobicContact CD2-CE2 3.64Å; L504-F523 HydrophobicContact CD2-CZ 3.93Å; L504-F523 HydrophobicContact CG-CE2 4.21Å
505	L	95.1	Very high	97.5	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-80.2	-26.1	176.6	-56.1	177.5	0	0	0	112.2	V224 N225 E314 L315 F318 K502 S503	V224-L505 HydrophobicContact CG1-CD2 4.11Å; N225-L505 PolarHBondContact N-O 3.35Å; N225-L505 VanDerWaalsContact N-O 3.16Å; E314-L505 HydrophobicContact CG-CD1 4.32Å; L315-L505 HydrophobicContact CD2-CD1 4.41Å; L315-L505 HydrophobicContact CD2-CD2 3.88Å; F318-L505 HydrophobicContact CD1-CD2 4.17Å; F318-L505 HydrophobicContact CD2-CD1 4.12Å; F318-L505 HydrophobicContact CD2-CD2 3.92Å; F318-L505 HydrophobicContact CE1-CD2 4.37Å; F318-L505 HydrophobicContact CE2-CD1 3.71Å; F318-L505 HydrophobicContact CE2-CD2 4.16Å; F318-L505 HydrophobicContact CE2-CG 4.39Å; F318-L505 HydrophobicContact CG-CD2 3.94Å; F318-L505 HydrophobicContact CZ-CB 4.3Å; F318-L505 HydrophobicContact CZ-CD1 4.14Å; F318-L505 HydrophobicContact CZ-CD2 4.37Å; K502-L505 PolarHBondContact O-N 3.04Å; S503-L505 PolarHBondContact O-N 3.44Å
506	N	95.1	Very high	97.4	Very high	103 Å²	103	50.2 Å²	50.2	55%	0.551	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-140.8	93.6	178.1	-174.4	33.6	0	0	0	111.1	N225 S503	N225-N506 WeakPolarHBondContact CB-OD1 3.4Å; N225-N506 PolarHBondContact ND2-OD1 3.43Å; S503-N506 CarbonylContact O-C 3.53Å; S503-N506 PolarHBondContact O-N 3.1Å; S503-N506 VanDerWaalsContact O-O 3.05Å
507	F	97	Very high	97.3	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.035	28%	0.284	C	S	.	.			trans	-118.5	145.6	-168.9	-156.5	-86.3	0	0	0	112.4	N225 G226 F227 F473 F477 A480 S503 P509 F523	N225-F507 PolarHBondContact O-N 2.02Å; N225-F507 VanDerWaalsContact O-N 3.08Å; G226-F507 WeakPolarHBondContact CA-O 3.28Å; F227-F507 HydrophobicContact CD2-CB 4.17Å; F227-F507 HydrophobicContact CE1-CD1 4.48Å; F227-F507 HydrophobicContact CE2-CB 3.33Å; F227-F507 HydrophobicContact CE2-CD1 4.38Å; F227-F507 HydrophobicContact CE2-CD2 4.13Å; F227-F507 AromaticContact CE2-CG 3.7Å; F227-F507 HydrophobicContact CE2-CG 3.7Å; F227-F507 HydrophobicContact CZ-CB 3.68Å; F227-F507 AromaticContact CZ-CD1 3.84Å; F227-F507 HydrophobicContact CZ-CD1 3.84Å; F227-F507 AromaticContact CZ-CD2 3.85Å; F227-F507 HydrophobicContact CZ-CD2 3.85Å; F227-F507 HydrophobicContact CZ-CE2 4.48Å; F227-F507 AromaticContact CZ-CG 3.49Å; F227-F507 HydrophobicContact CZ-CG 3.49Å; F227-F507 VanDerWaalsContact CZ-CG 3.49Å; F473-F507 HydrophobicContact CE1-CE1 4.36Å; F473-F507 AromaticContact CE1-CZ 3.87Å; F473-F507 HydrophobicContact CE1-CZ 3.87Å; F473-F507 HydrophobicContact CZ-CE1 4.1Å; F473-F507 HydrophobicContact CZ-CE2 4.03Å; F473-F507 AromaticContact CZ-CZ 3.63Å; F473-F507 HydrophobicContact CZ-CZ 3.63Å; F477-F507 HydrophobicContact CB-CE1 3.9Å; F477-F507 HydrophobicContact CB-CZ 4.48Å; F477-F507 AromaticContact CD1-CD1 3.83Å; F477-F507 HydrophobicContact CD1-CD1 3.83Å; F477-F507 AromaticContact CD1-CE1 3.48Å; F477-F507 HydrophobicContact CD1-CE1 3.48Å; F477-F507 VanDerWaalsContact CD1-CE1 3.48Å; F477-F507 HydrophobicContact CD2-CD1 4.12Å; F477-F507 AromaticContact CD2-CE1 3.66Å; F477-F507 HydrophobicContact CD2-CE1 3.66Å; F477-F507 AromaticContact CE1-CD1 3.57Å; F477-F507 HydrophobicContact CE1-CD1 3.57Å; F477-F507 AromaticContact CE1-CE1 3.76Å; F477-F507 HydrophobicContact CE1-CE1 3.76Å; F477-F507 AromaticContact CE2-CD1 3.89Å; F477-F507 HydrophobicContact CE2-CD1 3.89Å; F477-F507 AromaticContact CE2-CE1 3.94Å; F477-F507 HydrophobicContact CE2-CE1 3.94Å; F477-F507 HydrophobicContact CG-CD1 4.07Å; F477-F507 AromaticContact CG-CE1 3.41Å; F477-F507 HydrophobicContact CG-CE1 3.41Å; F477-F507 VanDerWaalsContact CG-CE1 3.41Å; F477-F507 HydrophobicContact CG-CZ 4.35Å; F477-F507 AromaticContact CZ-CD1 3.59Å; F477-F507 HydrophobicContact CZ-CD1 3.59Å; F477-F507 AromaticContact CZ-CE1 3.96Å; F477-F507 HydrophobicContact CZ-CE1 3.96Å; A480-F507 HydrophobicContact CB-CE1 4.25Å; A480-F507 HydrophobicContact CB-CZ 3.69Å; S503-F507 WeakPolarHBondContact O-CD2 3.35Å; F507-P509 HydrophobicContact CE2-CG 4.42Å; F507-F523 HydrophobicContact CD2-CD2 4.47Å; F507-F523 HydrophobicContact CE2-CB 3.92Å; F507-F523 HydrophobicContact CE2-CD1 4.04Å; F507-F523 AromaticContact CE2-CD2 3.54Å; F507-F523 HydrophobicContact CE2-CD2 3.54Å; F507-F523 HydrophobicContact CE2-CE1 4.42Å; F507-F523 AromaticContact CE2-CE2 3.96Å; F507-F523 HydrophobicContact CE2-CE2 3.96Å; F507-F523 AromaticContact CE2-CG 3.57Å; F507-F523 HydrophobicContact CE2-CG 3.57Å; F507-F523 HydrophobicContact CE2-CZ 4.38Å; F507-F523 HydrophobicContact CZ-CB 4.11Å; F507-F523 HydrophobicContact CZ-CD1 4.04Å; F507-F523 HydrophobicContact CZ-CD2 4.34Å; F507-F523 AromaticContact CZ-CG 3.92Å; F507-F523 HydrophobicContact CZ-CG 3.92Å
508	P	96.2	Very high	97.1	Very high	88 Å²	88	58.2 Å²	58.2	57%	0.571	30%	0.297	S	S	*	.	S	Bend	cis	-81.5	150.1	-1.2	33.2	-34.8	0	0	0	113.9
509	P	96.9	Very high	97.1	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.143	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.7	172.1	168.7	31.5	-34.2	0	0	0	111.3	F507 F523	F507-P509 HydrophobicContact CE2-CG 4.42Å; P509-F523 HydrophobicContact CG-CB 3.66Å
510	P	97	Very high	97	Very high	97 Å²	97	57.1 Å²	57.1	63%	0.63	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-52.2	145.4	173.8	-27.2	35.9	0	0	0	112.6	V512 S524	P510-V512 VanDerWaalsContact C-N 3.27Å; P510-V512 PolarHBondContact O-N 2.95Å; P510-S524 WeakPolarHBondContact O-CB 3.35Å; P510-S524 PolarHBondContact O-OG 2.8Å
511	K	97.6	Very high	97	Very high	154 Å²	154	57.6 Å²	57.6	67%	0.67	30%	0.298	S	S	*	.	S	Bend	trans	-63.7	-32	-177.8	-71.2	-176.3	-179.9	176.3	0	113.4	N483 E525	N483-K511 PolarHBondContact ND2-O 2.95Å; K511-E525 PolarHBondContact O-N 2.72Å
512	V	97.7	Very high	97.1	Very high	90 Å²	90	57.6 Å²	57.6	55%	0.545	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-121.4	133.9	-179.6	-176.7	0	0	0	0	107.9	P510 P527	P510-V512 VanDerWaalsContact C-N 3.27Å; P510-V512 PolarHBondContact O-N 2.95Å; V512-P527 HydrophobicContact CG1-CG 4.41Å
513	G	97.7	Very high	97.1	Very high	12 Å²	12	53.9 Å²	53.9	12%	0.124	28%	0.281	C	S	.	.			trans	-71	149.4	176.5	0	0	0	0	0	112.4	E525 P527	G513-E525 PolarHBondContact N-O 3.33Å; G513-P527 WeakPolarHBondContact O-CG 3.43Å
514	D	97.3	Very high	97.2	Very high	54 Å²	54	53.6 Å²	53.6	29%	0.289	28%	0.28	S	S	.	.			trans	-97.2	118.3	176.9	-175.8	-9.5	0	0	0	109.8	R516 N517	D514-R516 PolarHBondContact O-N 3.4Å; D514-R516 VanDerWaalsContact O-N 3.13Å; D514-R516 VanDerWaalsContact OD1-CB 3.3Å; D514-R516 WeakPolarHBondContact OD1-CB 3.35Å; D514-R516 VanDerWaalsContact OD1-CG 3.31Å; D514-R516 WeakPolarHBondContact OD1-CG 3.35Å; D514-R516 PolarHBondContact OD1-N 3.48Å; D514-R516 IonicContact OD1-NE 3.93Å; D514-R516 PolarHBondContact OD1-NE 2.87Å; D514-R516 VanDerWaalsContact OD1-NE 3.12Å; D514-R516 IonicContact OD2-CZ 3.81Å; D514-R516 IonicContact OD2-NE 2.62Å; D514-R516 PolarHBondContact OD2-NE 3.04Å; D514-R516 IonicContact OD2-NH2 2.82Å; D514-R516 PolarHBondContact OD2-NH2 2.95Å; D514-N517 WeakPolarHBondContact O-CB 3.37Å; D514-N517 PolarHBondContact O-N 2.85Å
515	L	96.3	Very high	97.2	Very high	54 Å²	54	55.7 Å²	55.7	28%	0.283	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.9	179.8	-66.8	177.5	0	0	0	113.8	N517 I520 P527 R530	L515-N517 PolarHBondContact O-N 3.49Å; L515-I520 HydrophobicContact CD2-CD1 4.27Å; L515-P527 HydrophobicContact CD1-CB 4.14Å; L515-P527 HydrophobicContact CD1-CG 4.38Å; L515-P527 HydrophobicContact CD2-CB 4.06Å; L515-P527 HydrophobicContact CD2-CG 3.89Å; L515-P527 HydrophobicContact CG-CB 4.17Å; L515-P527 HydrophobicContact CG-CG 3.91Å; L515-R530 HydrophobicContact CD2-CB 3.79Å; L515-R530 HydrophobicContact CD2-CG 3.95Å
516	R	95.9	Very high	97.4	Very high	214 Å²	214	55 Å²	55	81%	0.808	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.1	169.1	-61.6	177.7	-64.5	174.2	2.7	112.1	D514	D514-R516 PolarHBondContact O-N 3.4Å; D514-R516 VanDerWaalsContact O-N 3.13Å; D514-R516 VanDerWaalsContact OD1-CB 3.3Å; D514-R516 WeakPolarHBondContact OD1-CB 3.35Å; D514-R516 VanDerWaalsContact OD1-CG 3.31Å; D514-R516 WeakPolarHBondContact OD1-CG 3.35Å; D514-R516 PolarHBondContact OD1-N 3.48Å; D514-R516 IonicContact OD1-NE 3.93Å; D514-R516 PolarHBondContact OD1-NE 2.87Å; D514-R516 VanDerWaalsContact OD1-NE 3.12Å; D514-R516 IonicContact OD2-CZ 3.81Å; D514-R516 IonicContact OD2-NE 2.62Å; D514-R516 PolarHBondContact OD2-NE 3.04Å; D514-R516 IonicContact OD2-NH2 2.82Å; D514-R516 PolarHBondContact OD2-NH2 2.95Å
517	N	96.7	Very high	97.4	Very high	91 Å²	91	51.1 Å²	51.1	49%	0.487	27%	0.266	S	S	.	.	S	Bend	trans	-95.3	120.2	175.1	-62.2	-37.7	0	0	0	109.4	D514 L515 G519	D514-N517 WeakPolarHBondContact O-CB 3.37Å; D514-N517 PolarHBondContact O-N 2.85Å; L515-N517 PolarHBondContact O-N 3.49Å; N517-G519 PolarHBondContact O-N 2.8Å
518	R	94.7	Very high	97.2	Very high	78 Å²	78	52.9 Å²	52.9	29%	0.294	28%	0.282	S	S	.	.	S	Bend	trans	-59.7	-31.4	176.3	66.9	166.8	172.9	-130.6	3.9	113.4	G286 E291 F495 R530	G286-R518 PolarHBondContact O-NE 3.06Å; G286-R518 PolarHBondContact O-NH2 3.41Å; E291-R518 VanDerWaalsContact CD-NH1 3.3Å; E291-R518 IonicContact OE1-CZ 3.72Å; E291-R518 IonicContact OE1-NH1 2.72Å; E291-R518 PolarHBondContact OE1-NH1 3.41Å; E291-R518 IonicContact OE1-NH2 3.53Å; E291-R518 PolarHBondContact OE1-NH2 3.3Å; E291-R518 IonicContact OE2-CZ 3.29Å; E291-R518 VanDerWaalsContact OE2-CZ 3.3Å; E291-R518 IonicContact OE2-NH1 3.85Å; E291-R518 PolarHBondContact OE2-NH1 2.97Å; E291-R518 IonicContact OE2-NH2 3.07Å; E291-R518 PolarHBondContact OE2-NH2 3.02Å; F495-R518 HydrophobicContact CG-CG 4.44Å; R518-R530 PolarHBondContact O-NH2 3.25Å
519	G	98	Very high	97.1	Very high	19 Å²	19	51 Å²	51	20%	0.196	27%	0.271	C	S	.	.	S	Bend	trans	-110.2	122.6	177.4	0	0	0	0	0	109.7	N517	N517-G519 PolarHBondContact O-N 2.8Å
520	I	98.6	Very high	97	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.036	27%	0.265	C	S	.	.			trans	-117.9	128.2	179.1	-63.4	173.1	0	0	0	107.4	D496 L515 L522 I526	D496-I520 WeakPolarHBondContact CA-O 3.15Å; D496-I520 VanDerWaalsContact CB-O 3.26Å; D496-I520 WeakPolarHBondContact CB-O 3.22Å; D496-I520 PolarHBondContact OD1-N 3.04Å; L515-I520 HydrophobicContact CD2-CD1 4.27Å; I520-L522 PolarHBondContact O-N 2.77Å; I520-I526 HydrophobicContact CB-CG1 4.11Å; I520-I526 HydrophobicContact CG2-CG1 3.75Å
521	S	98.7	Very high	96.8	Very high	10 Å²	10	48.2 Å²	48.2	7%	0.07	25%	0.249	C	C	.	.			trans	-57	136	174.6	173.6	0	0	0	0	110.5	S503 F523 S524	S503-S521 WeakPolarHBondContact CB-OG 3.44Å; S503-S521 PolarHBondContact OG-OG 3.36Å; S521-F523 PolarHBondContact O-N 3.23Å; S521-F523 VanDerWaalsContact O-N 3.08Å; S521-F523 WeakPolarHBondContact OG-CD2 3.25Å; S521-F523 PolarHBondContact OG-N 3.01Å; S521-S524 WeakPolarHBondContact O-CB 2.96Å; S521-S524 PolarHBondContact O-N 3.05Å; S521-S524 VanDerWaalsContact O-O 3.12Å
522	L	98.8	Very high	96.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.3	176.1	-65.6	175.3	0	0	0	112.7	L266 I467 N483 V484 N487 T492 L497 T500 I520 S524 I526	L266-L522 HydrophobicContact CD1-CD1 3.92Å; L266-L522 HydrophobicContact CD1-CD2 4.28Å; L266-L522 HydrophobicContact CD2-CD1 4.25Å; L266-L522 HydrophobicContact CD2-CD2 4.14Å; I467-L522 HydrophobicContact CD1-CD1 4.32Å; N483-L522 CarbonylContact C-O 3.59Å; V484-L522 WeakPolarHBondContact CA-O 3.43Å; V484-L522 HydrophobicContact CG2-CB 4.2Å; V484-L522 VanDerWaalsContact CG2-O 3.23Å; V484-L522 WeakPolarHBondContact CG2-O 3.39Å; V484-L522 PolarHBondContact N-O 2.91Å; N487-L522 HydrophobicContact CB-CD2 4.25Å; N487-L522 PolarHBondContact ND2-O 2.86Å; T492-L522 HydrophobicContact CG2-CD2 3.59Å; L497-L522 HydrophobicContact CD2-CD1 3.9Å; T500-L522 HydrophobicContact CG2-CB 4.24Å; T500-L522 WeakPolarHBondContact OG1-CG 3.45Å; T500-L522 PolarHBondContact OG1-N 2.85Å; I520-L522 PolarHBondContact O-N 2.77Å; L522-S524 VanDerWaalsContact C-N 3.3Å; L522-I526 HydrophobicContact CD2-CD1 4.12Å
523	F	98.8	Very high	96.1	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.1	173.9	-58.8	-65.3	0	0	0	113.3	L469 F473 A480 N483 V484 T500 S503 L504 F507 P509 S521	L469-F523 HydrophobicContact CD1-CE1 4.06Å; L469-F523 HydrophobicContact CD2-CE1 3.84Å; L469-F523 HydrophobicContact CD2-CZ 3.95Å; F473-F523 HydrophobicContact CE1-CD1 4.05Å; F473-F523 AromaticContact CE1-CE1 3.6Å; F473-F523 HydrophobicContact CE1-CE1 3.6Å; F473-F523 HydrophobicContact CE1-CZ 4.33Å; F473-F523 HydrophobicContact CZ-CD1 4.34Å; F473-F523 AromaticContact CZ-CE1 3.71Å; F473-F523 HydrophobicContact CZ-CE1 3.71Å; F473-F523 AromaticContact CZ-CZ 3.97Å; F473-F523 HydrophobicContact CZ-CZ 3.97Å; A480-F523 HydrophobicContact CB-CB 3.99Å; A480-F523 HydrophobicContact CB-CD1 3.94Å; A480-F523 HydrophobicContact CB-CG 4.37Å; N483-F523 WeakPolarHBondContact CB-O 3.43Å; N483-F523 PolarHBondContact ND2-O 3.17Å; V484-F523 HydrophobicContact CG2-CD1 3.62Å; V484-F523 HydrophobicContact CG2-CE1 3.95Å; V484-F523 HydrophobicContact CG2-CG 4.42Å; T500-F523 HydrophobicContact CG2-CD2 3.79Å; T500-F523 HydrophobicContact CG2-CE2 3.42Å; T500-F523 VanDerWaalsContact CG2-CE2 3.42Å; T500-F523 HydrophobicContact CG2-CZ 4.19Å; S503-F523 WeakPolarHBondContact OG-CD2 3.43Å; L504-F523 HydrophobicContact CD2-CE2 3.64Å; L504-F523 HydrophobicContact CD2-CZ 3.93Å; L504-F523 HydrophobicContact CG-CE2 4.21Å; F507-F523 HydrophobicContact CD2-CD2 4.47Å; F507-F523 HydrophobicContact CE2-CB 3.92Å; F507-F523 HydrophobicContact CE2-CD1 4.04Å; F507-F523 AromaticContact CE2-CD2 3.54Å; F507-F523 HydrophobicContact CE2-CD2 3.54Å; F507-F523 HydrophobicContact CE2-CE1 4.42Å; F507-F523 AromaticContact CE2-CE2 3.96Å; F507-F523 HydrophobicContact CE2-CE2 3.96Å; F507-F523 AromaticContact CE2-CG 3.57Å; F507-F523 HydrophobicContact CE2-CG 3.57Å; F507-F523 HydrophobicContact CE2-CZ 4.38Å; F507-F523 HydrophobicContact CZ-CB 4.11Å; F507-F523 HydrophobicContact CZ-CD1 4.04Å; F507-F523 HydrophobicContact CZ-CD2 4.34Å; F507-F523 AromaticContact CZ-CG 3.92Å; F507-F523 HydrophobicContact CZ-CG 3.92Å; P509-F523 HydrophobicContact CG-CB 3.66Å; S521-F523 PolarHBondContact O-N 3.23Å; S521-F523 VanDerWaalsContact O-N 3.08Å; S521-F523 WeakPolarHBondContact OG-CD2 3.25Å; S521-F523 PolarHBondContact OG-N 3.01Å
524	S	98.7	Very high	95.9	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.042	24%	0.235	C	C	.	.	S	Bend	trans	-99.6	140.3	169.7	-60.4	0	0	0	0	109.5	N487 P510 S521 L522 I526	N487-S524 PolarHBondContact ND2-O 3.05Å; P510-S524 WeakPolarHBondContact O-CB 3.35Å; P510-S524 PolarHBondContact O-OG 2.8Å; S521-S524 WeakPolarHBondContact O-CB 2.96Å; S521-S524 PolarHBondContact O-N 3.05Å; S521-S524 VanDerWaalsContact O-O 3.12Å; L522-S524 VanDerWaalsContact C-N 3.3Å; S524-I526 PolarHBondContact O-N 3.45Å; S524-I526 VanDerWaalsContact O-N 3.12Å
525	E	98.5	Very high	95.8	Very high	46 Å²	46	40.2 Å²	40.2	22%	0.215	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-63	119.2	175.7	-179.4	176.5	154.5	0	0	109.6	N483 K486 K511 G513 P527	N483-E525 PolarHBondContact ND2-N 2.7Å; N483-E525 VanDerWaalsContact ND2-N 3.17Å; K486-E525 HydrophobicContact CD-CG 4.11Å; K486-E525 VanDerWaalsContact CE-CD 3.41Å; K486-E525 WeakPolarHBondContact CE-OE1 3.45Å; K486-E525 IonicContact NZ-OE1 2.7Å; K486-E525 PolarHBondContact NZ-OE1 2.76Å; K486-E525 IonicContact NZ-OE2 3.17Å; K486-E525 PolarHBondContact NZ-OE2 2.63Å; K511-E525 PolarHBondContact O-N 2.72Å; G513-E525 PolarHBondContact N-O 3.33Å; E525-P527 WeakPolarHBondContact O-CD 3.31Å
526	I	98.4	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-74	121.3	171.7	-65.3	170.6	0	0	0	107.7	N487 R490 T492 I520 L522 S524 A528 R530	N487-I526 HydrophobicContact CB-CD1 4.16Å; N487-I526 WeakPolarHBondContact OD1-CB 3.22Å; N487-I526 PolarHBondContact OD1-N 3.45Å; R490-I526 HydrophobicContact CB-CB 4.04Å; R490-I526 HydrophobicContact CB-CG2 4.04Å; R490-I526 HydrophobicContact CG-CB 4.2Å; R490-I526 HydrophobicContact CG-CG2 4.5Å; R490-I526 PolarHBondContact NE-O 2.9Å; T492-I526 HydrophobicContact CG2-CD1 3.4Å; T492-I526 VanDerWaalsContact CG2-CD1 3.4Å; I520-I526 HydrophobicContact CB-CG1 4.11Å; I520-I526 HydrophobicContact CG2-CG1 3.75Å; L522-I526 HydrophobicContact CD2-CD1 4.12Å; S524-I526 PolarHBondContact O-N 3.45Å; S524-I526 VanDerWaalsContact O-N 3.12Å; I526-A528 PolarHBondContact O-N 2.82Å; I526-R530 HydrophobicContact CG2-CB 4.15Å; I526-R530 VanDerWaalsContact CG2-CD 3.48Å; I526-R530 HydrophobicContact CG2-CG 4.48Å
527	P	96.9	Very high	95.4	Very high	20 Å²	20	29.4 Å²	29.4	13%	0.13	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-57.8	140.2	-176.8	-28.5	38.3	0	0	0	112.6	V512 G513 L515 E525 S529 R530	V512-P527 HydrophobicContact CG1-CG 4.41Å; G513-P527 WeakPolarHBondContact O-CG 3.43Å; L515-P527 HydrophobicContact CD1-CB 4.14Å; L515-P527 HydrophobicContact CD1-CG 4.38Å; L515-P527 HydrophobicContact CD2-CB 4.06Å; L515-P527 HydrophobicContact CD2-CG 3.89Å; L515-P527 HydrophobicContact CG-CB 4.17Å; L515-P527 HydrophobicContact CG-CG 3.91Å; E525-P527 WeakPolarHBondContact O-CD 3.31Å; P527-S529 PolarHBondContact O-N 2.82Å; P527-S529 VanDerWaalsContact O-N 3.14Å; P527-R530 WeakPolarHBondContact O-CB 3.36Å; P527-R530 PolarHBondContact O-N 3.34Å
528	A	93	Very high	94.9	Very high	45 Å²	45	27.2 Å²	27.2	37%	0.372	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.7	178.5	0	0	0	0	0	113.5	R490 I526 R530	R490-A528 VanDerWaalsContact CZ-CA 3.45Å; R490-A528 VanDerWaalsContact CZ-CB 3.43Å; R490-A528 VanDerWaalsContact NH1-CB 3.3Å; I526-A528 PolarHBondContact O-N 2.82Å; A528-R530 VanDerWaalsContact C-N 3.26Å; A528-R530 PolarHBondContact O-N 2.91Å
529	S	93.4	Very high	94.4	Very high	49 Å²	49	26.5 Å²	26.5	34%	0.343	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.4	179.5	57.7	0	0	0	0	113.5	P527 D531	P527-S529 PolarHBondContact O-N 2.82Å; P527-S529 VanDerWaalsContact O-N 3.14Å; S529-D531 PolarHBondContact O-N 3.18Å
530	R	94.9	Very high	93.6	Very high	4 Å²	4	27 Å²	27	2%	0.015	18%	0.181	C	C	.	.			trans	-62.4	133.9	176.2	-169.6	177.9	-176.1	-169.5	9.5	110	G106 C107 L491 D496 L515 R518 I526 P527 A528 A535	G106-R530 WeakPolarHBondContact CA-O 3.2Å; C107-R530 PolarHBondContact N-O 3.19Å; L491-R530 PolarHBondContact O-NH1 3.44Å; D496-R530 VanDerWaalsContact CG-NH2 3.32Å; D496-R530 IonicContact OD1-CZ 3.3Å; D496-R530 VanDerWaalsContact OD1-CZ 3.32Å; D496-R530 IonicContact OD1-NH1 3.18Å; D496-R530 PolarHBondContact OD1-NH1 3.16Å; D496-R530 IonicContact OD1-NH2 2.71Å; D496-R530 PolarHBondContact OD1-NH2 3.01Å; D496-R530 IonicContact OD2-CZ 3.56Å; D496-R530 IonicContact OD2-NH1 3.44Å; D496-R530 PolarHBondContact OD2-NH1 3.22Å; D496-R530 IonicContact OD2-NH2 3.51Å; D496-R530 PolarHBondContact OD2-NH2 2.88Å; L515-R530 HydrophobicContact CD2-CB 3.79Å; L515-R530 HydrophobicContact CD2-CG 3.95Å; R518-R530 PolarHBondContact O-NH2 3.25Å; I526-R530 HydrophobicContact CG2-CB 4.15Å; I526-R530 VanDerWaalsContact CG2-CD 3.48Å; I526-R530 HydrophobicContact CG2-CG 4.48Å; P527-R530 WeakPolarHBondContact O-CB 3.36Å; P527-R530 PolarHBondContact O-N 3.34Å; A528-R530 VanDerWaalsContact C-N 3.26Å; A528-R530 PolarHBondContact O-N 2.91Å; R530-A535 HydrophobicContact CG-CB 4.43Å
531	D	92.1	Very high	93.1	Very high	57 Å²	57	27.2 Å²	27.2	31%	0.305	18%	0.182	S	C	.	.			trans	-125.2	178.9	177.8	65.5	6.9	0	0	0	110.4	L491 S529 A533 T534 A535	L491-D531 WeakPolarHBondContact CD2-O 3.45Å; S529-D531 PolarHBondContact O-N 3.18Å; D531-A533 VanDerWaalsContact C-N 3.29Å; D531-A533 PolarHBondContact O-N 3.38Å; D531-A533 PolarHBondContact OD1-N 2.89Å; D531-T534 PolarHBondContact N-OG1 3.38Å; D531-T534 VanDerWaalsContact N-OG1 3.09Å; D531-T534 PolarHBondContact O-OG1 3.07Å; D531-T534 VanDerWaalsContact O-OG1 3.12Å; D531-T534 WeakPolarHBondContact OD1-CB 3.28Å; D531-T534 WeakPolarHBondContact OD1-CG2 3.23Å; D531-T534 PolarHBondContact OD1-N 3.11Å; D531-T534 PolarHBondContact OD1-OG1 3.12Å; D531-A535 VanDerWaalsContact O-CB 3.25Å; D531-A535 WeakPolarHBondContact O-CB 3.46Å; D531-A535 PolarHBondContact O-N 3.06Å
532	C	91.6	Very high	92.7	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.074	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.8	-179.7	-71.7	0	0	0	0	113.3	A535 G536 I537 C542 C544	C532-A535 CarbonylContact O-C 3.48Å; C532-A535 PolarHBondContact O-N 3.18Å; C532-G536 PolarHBondContact O-N 3.05Å; C532-G536 VanDerWaalsContact O-N 3.08Å; C532-I537 HydrophobicContact CB-CB 4.01Å; C532-I537 HydrophobicContact CB-CD1 4.42Å; C532-I537 PolarHBondContact O-N 2.93Å; C532-C542 HydrophobicContact CB-CB 3.64Å; C532-C542 WeakPolarHBondContact CB-SG 3.43Å; C532-C542 VanDerWaalsContact SG-CA 3.55Å; C532-C542 WeakPolarHBondContact SG-CB 3.48Å; C532-C542 CovalentContact SG-SG 2.02Å; C532-C542 PolarHBondContact SG-SG 2.81Å; C532-C544 PolarHBondContact SG-SG 3.17Å
533	A	89.1	Confident	92.2	Very high	82 Å²	82	27.3 Å²	27.3	68%	0.678	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-49.5	-179.4	0	0	0	0	0	111.2	D531 A535 G536	D531-A533 VanDerWaalsContact C-N 3.29Å; D531-A533 PolarHBondContact O-N 3.38Å; D531-A533 PolarHBondContact OD1-N 2.89Å; A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.28Å; A533-G536 PolarHBondContact O-N 3.5Å; A533-G536 VanDerWaalsContact O-N 3.12Å
534	T	93.6	Very high	91.7	Very high	48 Å²	48	27.7 Å²	27.7	29%	0.294	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.1	176.2	52.9	0	0	0	0	113	D531 G536	D531-T534 PolarHBondContact N-OG1 3.38Å; D531-T534 VanDerWaalsContact N-OG1 3.09Å; D531-T534 PolarHBondContact O-OG1 3.07Å; D531-T534 VanDerWaalsContact O-OG1 3.12Å; D531-T534 WeakPolarHBondContact OD1-CB 3.28Å; D531-T534 WeakPolarHBondContact OD1-CG2 3.23Å; D531-T534 PolarHBondContact OD1-N 3.11Å; D531-T534 PolarHBondContact OD1-OG1 3.12Å; T534-G536 VanDerWaalsContact C-N 3.32Å
535	A	96.1	Very high	91	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.6	172.3	0	0	0	0	0	114.3	L491 T493 R530 D531 C532 A533 I537	L491-A535 HydrophobicContact CD2-CB 3.85Å; L491-A535 HydrophobicContact CG-CB 4.36Å; T493-A535 HydrophobicContact CG2-CB 4.04Å; R530-A535 HydrophobicContact CG-CB 4.43Å; D531-A535 VanDerWaalsContact O-CB 3.25Å; D531-A535 WeakPolarHBondContact O-CB 3.46Å; D531-A535 PolarHBondContact O-N 3.06Å; C532-A535 CarbonylContact O-C 3.48Å; C532-A535 PolarHBondContact O-N 3.18Å; A533-A535 VanDerWaalsContact C-N 3.27Å; A533-A535 PolarHBondContact O-N 3.28Å; A535-I537 HydrophobicContact CB-CD1 3.86Å; A535-I537 HydrophobicContact CB-CG1 3.97Å
536	G	91.1	Very high	89.9	Confident	34 Å²	34	28.1 Å²	28.1	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	28.1	-177.7	0	0	0	0	0	114.1	C532 A533 T534	C532-G536 PolarHBondContact O-N 3.05Å; C532-G536 VanDerWaalsContact O-N 3.08Å; A533-G536 PolarHBondContact O-N 3.5Å; A533-G536 VanDerWaalsContact O-N 3.12Å; T534-G536 VanDerWaalsContact C-N 3.32Å
537	I	92.6	Very high	88.8	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.041	20%	0.201	C	C	.	.			trans	-94.7	122.7	178.7	-55.5	166.8	0	0	0	108.9	N270 V272 L491 T493 C532 A535 W541 C542	N270-I537 HydrophobicContact CB-CD1 3.9Å; V272-I537 HydrophobicContact CG1-CG1 4.21Å; L491-I537 HydrophobicContact CD1-CD1 3.84Å; L491-I537 HydrophobicContact CD2-CD1 4.07Å; L491-I537 HydrophobicContact CG-CD1 4.25Å; T493-I537 HydrophobicContact CG2-CD1 3.68Å; T493-I537 HydrophobicContact CG2-CG1 3.8Å; C532-I537 HydrophobicContact CB-CB 4.01Å; C532-I537 HydrophobicContact CB-CD1 4.42Å; C532-I537 PolarHBondContact O-N 2.93Å; A535-I537 HydrophobicContact CB-CD1 3.86Å; A535-I537 HydrophobicContact CB-CG1 3.97Å; I537-W541 HydrophobicContact CG2-CB 3.9Å; I537-C542 HydrophobicContact CG2-CB 4.25Å
538	P	86.4	Confident	88.1	Confident	45 Å²	45	32.4 Å²	32.4	29%	0.292	21%	0.208	S	C	.	.			trans	-60.3	146.7	174.9	-23.2	33.4	0	0	0	112.5	V272 Q540 W541 C542	V272-P538 WeakPolarHBondContact O-CD 3.47Å; P538-Q540 VanDerWaalsContact C-N 3.28Å; P538-Q540 PolarHBondContact O-N 3.31Å; P538-Q540 VanDerWaalsContact O-N 3.11Å; P538-W541 PolarHBondContact O-N 2.75Å; P538-C542 PolarHBondContact O-N 3.01Å
539	P	83.2	Confident	87.7	Confident	63 Å²	63	36.8 Å²	36.8	41%	0.409	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36	-172.2	-28.9	35.9	0	0	0	115.4	W541 C542 T596 E598	P539-W541 VanDerWaalsContact C-N 3.27Å; P539-W541 PolarHBondContact O-N 2.81Å; P539-C542 WeakPolarHBondContact O-CB 3.19Å; P539-C542 PolarHBondContact O-N 3.05Å; P539-T596 PolarHBondContact O-OG1 2.83Å; P539-E598 HydrophobicContact CB-CB 4.03Å; P539-E598 HydrophobicContact CB-CG 4.06Å
540	Q	81	Confident	87.4	Confident	28 Å²	28	36.1 Å²	36.1	13%	0.131	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.3	178.6	70.4	-83.3	20.5	0	0	114.2	R461 P538 E598 F602 P613 F615	R461-Q540 PolarHBondContact NE-O 2.83Å; R461-Q540 VanDerWaalsContact NE-O 3.12Å; R461-Q540 PolarHBondContact NH2-O 2.9Å; P538-Q540 VanDerWaalsContact C-N 3.28Å; P538-Q540 PolarHBondContact O-N 3.31Å; P538-Q540 VanDerWaalsContact O-N 3.11Å; Q540-E598 HydrophobicContact CB-CB 4.18Å; Q540-F602 HydrophobicContact CB-CB 4.13Å; Q540-F602 HydrophobicContact CB-CD2 3.96Å; Q540-F602 HydrophobicContact CB-CG 4.16Å; Q540-F602 HydrophobicContact CG-CD2 3.96Å; Q540-F602 HydrophobicContact CG-CE2 4.21Å; Q540-P613 HydrophobicContact CG-CB 4.23Å; Q540-F615 HydrophobicContact CB-CE1 4.07Å; Q540-F615 HydrophobicContact CB-CZ 4.43Å
541	W	88.7	Confident	87.2	Confident	13 Å²	13	39.5 Å²	39.5	5%	0.049	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-12.8	177.4	-65.5	119.8	0	0	0	112.7	N270 V271 D274 R461 I537 P538 P539 S543 F602	N270-W541 PolarHBondContact ND2-O 2.81Å; V271-W541 HydrophobicContact CG2-CB 4.39Å; V271-W541 HydrophobicContact CG2-CD2 4.36Å; V271-W541 HydrophobicContact CG2-CE3 3.74Å; V271-W541 HydrophobicContact CG2-CZ3 4.45Å; D274-W541 HydrophobicContact CB-CH2 3.88Å; D274-W541 HydrophobicContact CB-CZ2 3.56Å; R461-W541 HydrophobicContact CG-CE3 3.97Å; R461-W541 HydrophobicContact CG-CZ3 4.3Å; I537-W541 HydrophobicContact CG2-CB 3.9Å; P538-W541 PolarHBondContact O-N 2.75Å; P539-W541 VanDerWaalsContact C-N 3.27Å; P539-W541 PolarHBondContact O-N 2.81Å; W541-S543 PolarHBondContact O-N 3.37Å; W541-F602 AromaticContact CH2-CE1 3.4Å; W541-F602 HydrophobicContact CH2-CE1 3.4Å; W541-F602 AromaticContact CH2-CZ 3.43Å; W541-F602 HydrophobicContact CH2-CZ 3.43Å; W541-F602 VanDerWaalsContact CH2-CZ 3.43Å; W541-F602 AromaticContact CZ2-CE1 3.8Å; W541-F602 HydrophobicContact CZ2-CE1 3.8Å; W541-F602 HydrophobicContact CZ2-CE2 4.15Å; W541-F602 AromaticContact CZ2-CZ 3.36Å; W541-F602 HydrophobicContact CZ2-CZ 3.36Å; W541-F602 AromaticContact CZ3-CE1 3.87Å; W541-F602 HydrophobicContact CZ3-CE1 3.87Å; W541-F602 HydrophobicContact CZ3-CZ 4.29Å
542	C	89.5	Confident	87	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.054	24%	0.235	C	C	.	.			trans	-72.4	107.6	-177.7	179.3	0	0	0	0	112.3	C532 I537 P538 P539 C544 F599	C532-C542 HydrophobicContact CB-CB 3.64Å; C532-C542 WeakPolarHBondContact CB-SG 3.43Å; C532-C542 VanDerWaalsContact SG-CA 3.55Å; C532-C542 WeakPolarHBondContact SG-CB 3.48Å; C532-C542 CovalentContact SG-SG 2.02Å; C532-C542 PolarHBondContact SG-SG 2.81Å; I537-C542 HydrophobicContact CG2-CB 4.25Å; P538-C542 PolarHBondContact O-N 3.01Å; P539-C542 WeakPolarHBondContact O-CB 3.19Å; P539-C542 PolarHBondContact O-N 3.05Å; C542-C544 VanDerWaalsContact C-N 3.29Å; C542-F599 WeakPolarHBondContact O-CD2 3.37Å
543	S	89.2	Confident	86.7	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.035	26%	0.258	C	S	.	.			trans	-82.2	-5.1	175.2	85.6	0	0	0	0	114.1	P110 N270 N462 W541 L545	P110-S543 WeakPolarHBondContact CD-O 3.35Å; P110-S543 WeakPolarHBondContact CG-O 3.31Å; N270-S543 VanDerWaalsContact OD1-CB 3.26Å; N270-S543 WeakPolarHBondContact OD1-CB 3.37Å; N270-S543 PolarHBondContact OD1-N 3.29Å; N270-S543 PolarHBondContact OD1-OG 2.75Å; N462-S543 PolarHBondContact ND2-OG 2.71Å; N462-S543 PolarHBondContact OD1-OG 3.49Å; N462-S543 VanDerWaalsContact OD1-OG 3.09Å; W541-S543 PolarHBondContact O-N 3.37Å; S543-L545 PolarHBondContact O-N 2.8Å
544	C	88.5	Confident	86.7	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.061	24%	0.236	C	C	.	.			trans	-62	132	178.3	-59.3	0	0	0	0	111.5	C107 C532 C542	C107-C544 HydrophobicContact CB-CB 3.82Å; C107-C544 WeakPolarHBondContact CB-SG 3.34Å; C107-C544 WeakPolarHBondContact SG-CB 3.33Å; C107-C544 CovalentContact SG-SG 2.02Å; C107-C544 PolarHBondContact SG-SG 2.86Å; C532-C544 PolarHBondContact SG-SG 3.17Å; C542-C544 VanDerWaalsContact C-N 3.29Å
545	L	83.5	Confident	86.4	Confident	9 Å²	9	42 Å²	42	5%	0.047	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-80.8	147.8	168.4	-55	-177.7	0	0	0	109.9	V108 P110 S543 P595	V108-L545 HydrophobicContact CB-CB 4.14Å; V108-L545 WeakPolarHBondContact CB-O 3.41Å; V108-L545 HydrophobicContact CG1-CB 4.38Å; V108-L545 PolarHBondContact N-O 2.65Å; V108-L545 PolarHBondContact O-N 3.34Å; P110-L545 HydrophobicContact CB-CD1 4.18Å; P110-L545 HydrophobicContact CB-CD2 4.23Å; P110-L545 HydrophobicContact CB-CG 4.04Å; S543-L545 PolarHBondContact O-N 2.8Å; L545-P595 HydrophobicContact CD2-CB 4.42Å; L545-P595 HydrophobicContact CD2-CG 3.73Å
546	S	75.1	Confident	86.1	Confident	53 Å²	53	44 Å²	44	37%	0.371	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.7	171.1	62	0	0	0	0	109.8	K548 S593 Q594	S546-K548 PolarHBondContact O-N 3.44Å; S546-S593 WeakPolarHBondContact O-CA 3.31Å; S546-Q594 PolarHBondContact N-O 3Å; S546-Q594 PolarHBondContact O-N 2.97Å; S546-Q594 PolarHBondContact OG-O 2.84Å
547	W	74.7	Confident	86.1	Confident	46 Å²	46	42.4 Å²	42.4	17%	0.174	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.5	176.2	-71.2	104.3	0	0	0	109.9	T103 S625 R627	T103-W547 HydrophobicContact CG2-CG 4.31Å; W547-S625 WeakPolarHBondContact CZ3-O 3.28Å; W547-R627 HydrophobicContact CE3-CB 4.37Å; W547-R627 HydrophobicContact CH2-CB 3.87Å; W547-R627 HydrophobicContact CZ3-CB 3.68Å
548	K	82.7	Confident	86.1	Confident	64 Å²	64	43.1 Å²	43.1	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.9	172.6	-65.5	-177	-176.7	172.6	0	109.1	S546 L550 Y591 V592 Q594 P595 D597	S546-K548 PolarHBondContact O-N 3.44Å; K548-L550 PolarHBondContact O-N 2.69Å; K548-Y591 CarbonylContact O-C 3.59Å; K548-Y591 WeakPolarHBondContact O-CA 3.41Å; K548-V592 HydrophobicContact CB-CG1 4.24Å; K548-V592 PolarHBondContact N-O 3.45Å; K548-V592 PolarHBondContact O-N 3.31Å; K548-Q594 HydrophobicContact CD-CB 4.36Å; K548-P595 PolarHBondContact NZ-O 2.85Å; K548-D597 IonicContact NZ-OD1 3.98Å; K548-D597 PolarHBondContact NZ-OD1 2.71Å
549	K	84.5	Confident	86.4	Confident	137 Å²	137	41.7 Å²	41.7	60%	0.596	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	128	176	-171	169.5	-176.1	167	0	109.5	Y591	K549-Y591 HydrophobicContact CB-CD1 3.91Å; K549-Y591 HydrophobicContact CB-CE1 3.8Å; K549-Y591 HydrophobicContact CD-CE1 4.24Å; K549-Y591 HydrophobicContact CG-CD1 4.27Å; K549-Y591 HydrophobicContact CG-CE1 3.91Å
550	L	88.4	Confident	87	Confident	34 Å²	34	38.7 Å²	38.7	18%	0.178	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-94.5	148.5	172.9	-69.1	177.7	0	0	0	110.2	K548 T552 I556 A590 V592 Y626	K548-L550 PolarHBondContact O-N 2.69Å; L550-T552 PolarHBondContact O-N 3.37Å; L550-I556 HydrophobicContact CD1-CG2 4.31Å; L550-A590 HydrophobicContact CB-CB 4.04Å; L550-A590 PolarHBondContact N-O 2.92Å; L550-V592 HydrophobicContact CD1-CB 3.93Å; L550-V592 HydrophobicContact CD1-CG1 4.11Å; L550-V592 HydrophobicContact CD2-CG1 3.86Å; L550-V592 HydrophobicContact CG-CB 4.25Å; L550-V592 HydrophobicContact CG-CG1 3.94Å; L550-Y626 HydrophobicContact CD1-CD1 3.87Å; L550-Y626 HydrophobicContact CD1-CE1 3.77Å
551	P	89.5	Confident	87.7	Confident	76 Å²	76	37.4 Å²	37.4	49%	0.494	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-55.9	132.1	166.2	-21.5	32.7	0	0	0	110.1	D553 A554	P551-D553 WeakPolarHBondContact CB-OD1 3.41Å; P551-D553 PolarHBondContact O-N 3.02Å; P551-A554 HydrophobicContact CB-CB 4.33Å; P551-A554 VanDerWaalsContact O-CB 3.28Å; P551-A554 WeakPolarHBondContact O-CB 3.07Å; P551-A554 PolarHBondContact O-N 3.18Å
552	T	87.9	Confident	88	Confident	55 Å²	55	37.4 Å²	37.4	34%	0.337	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.6	178.4	52.9	0	0	0	0	112.6	L550 W558 I587 L588	L550-T552 PolarHBondContact O-N 3.37Å; T552-W558 VanDerWaalsContact O-CD1 3.29Å; T552-W558 PolarHBondContact O-NE1 3.03Å; T552-I587 HydrophobicContact CG2-CG2 4.21Å; T552-L588 WeakPolarHBondContact CG2-O 3.43Å
553	D	86.3	Confident	88.3	Confident	104 Å²	104	38.5 Å²	38.5	56%	0.556	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	1.1	176.2	69.6	-23.9	0	0	0	114	K71 P551	K71-D553 VanDerWaalsContact NZ-C 3.28Å; K71-D553 PolarHBondContact NZ-O 2.82Å; P551-D553 WeakPolarHBondContact CB-OD1 3.41Å; P551-D553 PolarHBondContact O-N 3.02Å
554	A	87.7	Confident	88.6	Confident	24 Å²	24	38.3 Å²	38.3	20%	0.198	20%	0.201	C	C	.	.			trans	-59.1	141.6	174.2	0	0	0	0	0	111.4	P551 I556 S557 W558	P551-A554 HydrophobicContact CB-CB 4.33Å; P551-A554 VanDerWaalsContact O-CB 3.28Å; P551-A554 WeakPolarHBondContact O-CB 3.07Å; P551-A554 PolarHBondContact O-N 3.18Å; A554-I556 VanDerWaalsContact C-N 3.32Å; A554-I556 HydrophobicContact CB-CG2 4.45Å; A554-I556 PolarHBondContact O-N 2.89Å; A554-S557 PolarHBondContact O-N 3.28Å; A554-S557 VanDerWaalsContact O-N 3.17Å; A554-W558 PolarHBondContact O-N 2.96Å
555	L	88.1	Confident	89	Confident	66 Å²	66	38.1 Å²	38.1	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-56	-45.5	-177.7	179.6	66.8	0	0	0	111.8	I75 L78 S557 W558 Y559	I75-L555 HydrophobicContact CG1-CD1 3.8Å; L78-L555 HydrophobicContact CD1-CD2 3.5Å; L78-L555 VanDerWaalsContact CD1-CD2 3.5Å; L555-S557 PolarHBondContact O-N 2.97Å; L555-W558 PolarHBondContact O-N 3.11Å; L555-Y559 WeakPolarHBondContact O-CB 3.36Å; L555-Y559 PolarHBondContact O-N 3.05Å
556	I	89.3	Confident	89.5	Confident	43 Å²	43	42 Å²	42	22%	0.221	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-40.9	179.3	-171.6	59.1	0	0	0	112.1	L550 A554 W558 Y559 I560 Y626	L550-I556 HydrophobicContact CD1-CG2 4.31Å; A554-I556 VanDerWaalsContact C-N 3.32Å; A554-I556 HydrophobicContact CB-CG2 4.45Å; A554-I556 PolarHBondContact O-N 2.89Å; I556-W558 VanDerWaalsContact C-N 3.33Å; I556-W558 PolarHBondContact O-N 2.9Å; I556-Y559 HydrophobicContact CD1-CD1 4.38Å; I556-Y559 PolarHBondContact O-N 3.45Å; I556-I560 HydrophobicContact CD1-CD1 4.13Å; I556-I560 HydrophobicContact CD1-CG1 4.23Å; I556-I560 HydrophobicContact CG1-CD1 3.92Å; I556-I560 HydrophobicContact CG1-CG1 4.42Å; I556-I560 VanDerWaalsContact O-CG1 3.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.27Å; I556-I560 PolarHBondContact O-N 2.94Å; I556-Y626 HydrophobicContact CG1-CE1 3.93Å; I556-Y626 HydrophobicContact CG2-CE1 4.29Å
557	S	92.2	Very high	90.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-41.9	177	-56.1	0	0	0	0	111.1	A554 L555 A561 I587 L628	A554-S557 PolarHBondContact O-N 3.28Å; A554-S557 VanDerWaalsContact O-N 3.17Å; L555-S557 PolarHBondContact O-N 2.97Å; S557-A561 VanDerWaalsContact O-CB 3.29Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.75Å; S557-I587 VanDerWaalsContact C-CD1 3.4Å; S557-I587 WeakPolarHBondContact O-CD1 3.25Å; S557-L628 VanDerWaalsContact O-CD2 3.24Å; S557-L628 WeakPolarHBondContact O-CD2 3.17Å
558	W	91.8	Very high	91.5	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.087	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.5	-92.4	81.1	0	0	0	113.3	Y68 K71 I75 T552 A554 L555 I556 A561 D562 L584 I587	Y68-W558 AromaticContact CD2-CH2 3.87Å; Y68-W558 HydrophobicContact CD2-CH2 3.87Å; Y68-W558 AromaticContact CD2-CZ3 3.54Å; Y68-W558 HydrophobicContact CD2-CZ3 3.54Å; Y68-W558 AromaticContact CE2-CZ3 3.97Å; Y68-W558 HydrophobicContact CE2-CZ3 3.97Å; K71-W558 HydrophobicContact CB-CE3 4.46Å; K71-W558 HydrophobicContact CD-CB 4.35Å; K71-W558 HydrophobicContact CD-CD2 3.48Å; K71-W558 VanDerWaalsContact CD-CD2 3.48Å; K71-W558 HydrophobicContact CD-CE3 4.14Å; K71-W558 HydrophobicContact CD-CG 3.54Å; K71-W558 HydrophobicContact CD-CZ2 4.21Å; I75-W558 HydrophobicContact CD1-CB 4.29Å; T552-W558 VanDerWaalsContact O-CD1 3.29Å; T552-W558 PolarHBondContact O-NE1 3.03Å; A554-W558 PolarHBondContact O-N 2.96Å; L555-W558 PolarHBondContact O-N 3.11Å; I556-W558 VanDerWaalsContact C-N 3.33Å; I556-W558 PolarHBondContact O-N 2.9Å; W558-A561 PolarHBondContact O-N 2.83Å; W558-D562 WeakPolarHBondContact O-CB 3.44Å; W558-D562 PolarHBondContact O-N 3.45Å; W558-L584 HydrophobicContact CE3-CD2 3.78Å; W558-L584 HydrophobicContact CH2-CD2 4.3Å; W558-L584 HydrophobicContact CZ3-CD2 3.58Å; W558-L584 HydrophobicContact CZ3-CG 4.33Å; W558-I587 HydrophobicContact CB-CD1 4.5Å; W558-I587 HydrophobicContact CD2-CD1 4.31Å; W558-I587 HydrophobicContact CG-CD1 4.01Å
559	Y	93.6	Very high	92.1	Very high	16 Å²	16	36.4 Å²	36.4	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-49.6	175.9	-178.9	-116.1	0	0	0	111.6	I75 L82 P83 V85 L555 I556 A561 D562 E563	I75-Y559 HydrophobicContact CG2-CD2 3.84Å; I75-Y559 HydrophobicContact CG2-CE2 4.28Å; L82-Y559 HydrophobicContact CB-CD1 4.45Å; L82-Y559 HydrophobicContact CB-CD2 4.45Å; L82-Y559 HydrophobicContact CB-CE1 4.04Å; L82-Y559 HydrophobicContact CB-CE2 4.04Å; L82-Y559 HydrophobicContact CD1-CD2 3.61Å; L82-Y559 HydrophobicContact CD1-CE2 3.78Å; L82-Y559 HydrophobicContact CD1-CG 4.09Å; L82-Y559 HydrophobicContact CD2-CD1 4.07Å; L82-Y559 HydrophobicContact CD2-CD2 4.34Å; L82-Y559 HydrophobicContact CD2-CE1 4.49Å; L82-Y559 HydrophobicContact CD2-CG 3.98Å; L82-Y559 HydrophobicContact CG-CD2 4.36Å; L82-Y559 HydrophobicContact CG-CE2 4.39Å; L82-Y559 HydrophobicContact CG-CG 4.47Å; P83-Y559 HydrophobicContact CG-CD1 4.45Å; P83-Y559 HydrophobicContact CG-CE1 3.87Å; P83-Y559 PolarHBondContact O-OH 3.29Å; V85-Y559 HydrophobicContact CG2-CE1 4.35Å; V85-Y559 WeakPolarHBondContact CG2-OH 3.47Å; L555-Y559 WeakPolarHBondContact O-CB 3.36Å; L555-Y559 PolarHBondContact O-N 3.05Å; I556-Y559 HydrophobicContact CD1-CD1 4.38Å; I556-Y559 PolarHBondContact O-N 3.45Å; Y559-A561 PolarHBondContact O-N 3.21Å; Y559-D562 PolarHBondContact O-N 3.48Å; Y559-E563 HydrophobicContact CD2-CG 4.12Å; Y559-E563 HydrophobicContact CE1-CG 4.25Å; Y559-E563 HydrophobicContact CE2-CG 3.69Å; Y559-E563 WeakPolarHBondContact O-CB 3.14Å; Y559-E563 VanDerWaalsContact O-CG 3.3Å; Y559-E563 WeakPolarHBondContact O-CG 3.14Å; Y559-E563 PolarHBondContact O-N 3.38Å
560	I	94.6	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-43.6	179.3	-63.8	173.6	0	0	0	111.4	I556 D562 E563 L564 Y626 L628 V643 L652	I556-I560 HydrophobicContact CD1-CD1 4.13Å; I556-I560 HydrophobicContact CD1-CG1 4.23Å; I556-I560 HydrophobicContact CG1-CD1 3.92Å; I556-I560 HydrophobicContact CG1-CG1 4.42Å; I556-I560 VanDerWaalsContact O-CG1 3.22Å; I556-I560 WeakPolarHBondContact O-CG1 3.27Å; I556-I560 PolarHBondContact O-N 2.94Å; I560-D562 VanDerWaalsContact C-N 3.34Å; I560-D562 PolarHBondContact O-N 3.32Å; I560-E563 PolarHBondContact O-N 2.86Å; I560-L564 HydrophobicContact CG2-CD1 4.01Å; I560-L564 HydrophobicContact CG2-CG 4.41Å; I560-L564 WeakPolarHBondContact O-CB 3.46Å; I560-L564 VanDerWaalsContact O-CG 3.3Å; I560-L564 WeakPolarHBondContact O-CG 3.45Å; I560-L564 PolarHBondContact O-N 2.84Å; I560-Y626 HydrophobicContact CD1-CD1 3.69Å; I560-Y626 HydrophobicContact CD1-CD2 3.77Å; I560-Y626 HydrophobicContact CD1-CE1 4.26Å; I560-Y626 HydrophobicContact CD1-CE2 4.36Å; I560-Y626 HydrophobicContact CD1-CG 3.41Å; I560-Y626 VanDerWaalsContact CD1-CG 3.41Å; I560-L628 HydrophobicContact CB-CD1 4.19Å; I560-L628 HydrophobicContact CB-CD2 3.97Å; I560-L628 HydrophobicContact CD1-CD1 4.36Å; I560-L628 HydrophobicContact CG2-CD1 3.62Å; I560-L628 HydrophobicContact CG2-CD2 3.92Å; I560-L628 HydrophobicContact CG2-CG 4.41Å; I560-V643 HydrophobicContact CG2-CB 4.22Å; I560-V643 HydrophobicContact CG2-CG1 4.29Å; I560-V643 HydrophobicContact CG2-CG2 3.85Å; I560-L652 HydrophobicContact CD1-CD1 3.9Å; I560-L652 HydrophobicContact CG1-CD1 3.58Å
561	A	95.6	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-40.5	178.9	0	0	0	0	0	112.5	S557 W558 Y559 V565 L584 I587 L628 I630	S557-A561 VanDerWaalsContact O-CB 3.29Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.75Å; W558-A561 PolarHBondContact O-N 2.83Å; Y559-A561 PolarHBondContact O-N 3.21Å; A561-V565 WeakPolarHBondContact O-CG2 3.27Å; A561-V565 PolarHBondContact O-N 2.95Å; A561-V565 VanDerWaalsContact O-N 3.16Å; A561-L584 HydrophobicContact CB-CD1 3.97Å; A561-L584 HydrophobicContact CB-CD2 3.62Å; A561-L584 HydrophobicContact CB-CG 4.47Å; A561-I587 HydrophobicContact CB-CD1 3.61Å; A561-I587 HydrophobicContact CB-CG1 3.71Å; A561-L628 HydrophobicContact CB-CD2 3.98Å; A561-I630 HydrophobicContact CB-CG2 3.73Å
562	D	94.8	Very high	92.8	Very high	14 Å²	14	31 Å²	31	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-44.8	177.2	-175.9	63.2	0	0	0	111.5	W558 Y559 I560 L564 V565 K566	W558-D562 WeakPolarHBondContact O-CB 3.44Å; W558-D562 PolarHBondContact O-N 3.45Å; Y559-D562 PolarHBondContact O-N 3.48Å; I560-D562 VanDerWaalsContact C-N 3.34Å; I560-D562 PolarHBondContact O-N 3.32Å; D562-L564 VanDerWaalsContact C-N 3.35Å; D562-L564 PolarHBondContact O-N 2.82Å; D562-V565 PolarHBondContact O-N 3.37Å; D562-K566 WeakPolarHBondContact O-CG 3.43Å; D562-K566 PolarHBondContact O-N 2.89Å; D562-K566 WeakPolarHBondContact OD2-CE 3.22Å; D562-K566 IonicContact OD2-NZ 3.19Å; D562-K566 PolarHBondContact OD2-NZ 3.17Å
563	E	95.7	Very high	93	Very high	31 Å²	31	33.8 Å²	33.8	15%	0.145	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-33.6	176.8	-66.5	-63.3	149	0	0	112.9	V85 Y559 I560 K566 A567 I654	V85-E563 HydrophobicContact CG1-CB 4.47Å; V85-E563 HydrophobicContact CG2-CB 4.03Å; V85-E563 HydrophobicContact CG2-CG 3.68Å; Y559-E563 HydrophobicContact CD2-CG 4.12Å; Y559-E563 HydrophobicContact CE1-CG 4.25Å; Y559-E563 HydrophobicContact CE2-CG 3.69Å; Y559-E563 WeakPolarHBondContact O-CB 3.14Å; Y559-E563 VanDerWaalsContact O-CG 3.3Å; Y559-E563 WeakPolarHBondContact O-CG 3.14Å; Y559-E563 PolarHBondContact O-N 3.38Å; I560-E563 PolarHBondContact O-N 2.86Å; E563-K566 PolarHBondContact O-N 3.42Å; E563-K566 IonicContact OE1-NZ 3.39Å; E563-K566 PolarHBondContact OE1-NZ 3.37Å; E563-A567 WeakPolarHBondContact O-CB 3.24Å; E563-A567 PolarHBondContact O-N 3.23Å; E563-I654 HydrophobicContact CB-CD1 4.18Å
564	L	96	Very high	93	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-47.8	169.4	-79.2	165.9	0	0	0	111.6	I560 D562 K566 A567 F568 I630 A641 V643 I654 V659	I560-L564 HydrophobicContact CG2-CD1 4.01Å; I560-L564 HydrophobicContact CG2-CG 4.41Å; I560-L564 WeakPolarHBondContact O-CB 3.46Å; I560-L564 VanDerWaalsContact O-CG 3.3Å; I560-L564 WeakPolarHBondContact O-CG 3.45Å; I560-L564 PolarHBondContact O-N 2.84Å; D562-L564 VanDerWaalsContact C-N 3.35Å; D562-L564 PolarHBondContact O-N 2.82Å; L564-K566 VanDerWaalsContact C-N 3.34Å; L564-K566 PolarHBondContact O-N 3.1Å; L564-A567 WeakPolarHBondContact O-CB 3.22Å; L564-A567 PolarHBondContact O-N 2.85Å; L564-F568 HydrophobicContact CB-CE1 4.43Å; L564-F568 HydrophobicContact CB-CZ 4.15Å; L564-F568 HydrophobicContact CD2-CE1 4.23Å; L564-F568 HydrophobicContact CD2-CZ 4.3Å; L564-F568 WeakPolarHBondContact O-CD1 3.42Å; L564-F568 WeakPolarHBondContact O-CE1 3.39Å; L564-F568 WeakPolarHBondContact O-CG 3.15Å; L564-F568 PolarHBondContact O-N 3.22Å; L564-I630 HydrophobicContact CB-CD1 4.05Å; L564-I630 HydrophobicContact CD1-CD1 4.33Å; L564-A641 HydrophobicContact CD1-CB 3.68Å; L564-A641 HydrophobicContact CD2-CB 3.64Å; L564-A641 HydrophobicContact CG-CB 4.34Å; L564-V643 HydrophobicContact CD1-CG2 4.34Å; L564-V643 HydrophobicContact CD2-CG2 4.11Å; L564-V643 HydrophobicContact CG-CG2 4.39Å; L564-I654 HydrophobicContact CD2-CD1 4.12Å; L564-I654 HydrophobicContact CD2-CG1 4.38Å; L564-I654 HydrophobicContact CD2-CG2 3.74Å; L564-I654 HydrophobicContact CG-CD1 4.26Å; L564-V659 HydrophobicContact CD2-CG2 4.45Å
565	V	96.2	Very high	93.1	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-37.2	179.3	174.6	0	0	0	0	111.5	A561 D562 F568 N569 L582 L584 I630 T632	A561-V565 WeakPolarHBondContact O-CG2 3.27Å; A561-V565 PolarHBondContact O-N 2.95Å; A561-V565 VanDerWaalsContact O-N 3.16Å; D562-V565 PolarHBondContact O-N 3.37Å; V565-F568 PolarHBondContact O-N 2.94Å; V565-N569 WeakPolarHBondContact O-CB 3.36Å; V565-N569 PolarHBondContact O-N 2.96Å; V565-N569 PolarHBondContact O-ND2 2.86Å; V565-L582 HydrophobicContact CG1-CB 4.22Å; V565-L582 WeakPolarHBondContact CG1-O 3.44Å; V565-L584 HydrophobicContact CG2-CB 4Å; V565-L584 HydrophobicContact CG2-CD1 4.16Å; V565-I630 HydrophobicContact CG2-CD1 3.92Å; V565-T632 HydrophobicContact CG2-CG2 3.71Å
566	K	95.7	Very high	93.2	Very high	91 Å²	91	39.4 Å²	39.4	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-47	170.7	-74.8	164.7	172.6	160.2	0	111.3	D562 E563 L564 F568 N569 E570	D562-K566 WeakPolarHBondContact O-CG 3.43Å; D562-K566 PolarHBondContact O-N 2.89Å; D562-K566 WeakPolarHBondContact OD2-CE 3.22Å; D562-K566 IonicContact OD2-NZ 3.19Å; D562-K566 PolarHBondContact OD2-NZ 3.17Å; E563-K566 PolarHBondContact O-N 3.42Å; E563-K566 IonicContact OE1-NZ 3.39Å; E563-K566 PolarHBondContact OE1-NZ 3.37Å; L564-K566 VanDerWaalsContact C-N 3.34Å; L564-K566 PolarHBondContact O-N 3.1Å; K566-F568 VanDerWaalsContact C-N 3.32Å; K566-F568 PolarHBondContact O-N 3.35Å; K566-N569 PolarHBondContact O-N 2.8Å; K566-E570 PolarHBondContact O-N 3.13Å
567	A	95.5	Very high	93.4	Very high	6 Å²	6	44.9 Å²	44.9	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-39.3	176.9	0	0	0	0	0	112.3	V87 E563 L564 E570 Q571 I654 L656	V87-A567 HydrophobicContact CG1-CB 4.1Å; V87-A567 HydrophobicContact CG2-CB 3.86Å; E563-A567 WeakPolarHBondContact O-CB 3.24Å; E563-A567 PolarHBondContact O-N 3.23Å; L564-A567 WeakPolarHBondContact O-CB 3.22Å; L564-A567 PolarHBondContact O-N 2.85Å; A567-E570 WeakPolarHBondContact O-CB 3.37Å; A567-E570 PolarHBondContact O-N 3.25Å; A567-Q571 PolarHBondContact O-N 3.4Å; A567-I654 HydrophobicContact CB-CD1 4.46Å; A567-L656 HydrophobicContact CB-CD2 4.12Å
568	F	94.8	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-45.8	175.2	-58.2	-11.6	0	0	0	111.5	L564 V565 K566 E570 Q571 L572 L582 I630 Y639 L656 V659 W682	L564-F568 HydrophobicContact CB-CE1 4.43Å; L564-F568 HydrophobicContact CB-CZ 4.15Å; L564-F568 HydrophobicContact CD2-CE1 4.23Å; L564-F568 HydrophobicContact CD2-CZ 4.3Å; L564-F568 WeakPolarHBondContact O-CD1 3.42Å; L564-F568 WeakPolarHBondContact O-CE1 3.39Å; L564-F568 WeakPolarHBondContact O-CG 3.15Å; L564-F568 PolarHBondContact O-N 3.22Å; V565-F568 PolarHBondContact O-N 2.94Å; K566-F568 VanDerWaalsContact C-N 3.32Å; K566-F568 PolarHBondContact O-N 3.35Å; F568-E570 VanDerWaalsContact C-N 3.27Å; F568-E570 PolarHBondContact O-N 3.19Å; F568-Q571 WeakPolarHBondContact O-CB 3.35Å; F568-Q571 PolarHBondContact O-N 2.8Å; F568-Q571 VanDerWaalsContact O-N 3.15Å; F568-L572 WeakPolarHBondContact O-CG 3.4Å; F568-L572 PolarHBondContact O-N 3.38Å; F568-L572 VanDerWaalsContact O-N 3.09Å; F568-L582 HydrophobicContact CB-CD1 4.19Å; F568-L582 HydrophobicContact CD2-CD1 4.2Å; F568-I630 HydrophobicContact CE2-CD1 4.04Å; F568-I630 HydrophobicContact CZ-CD1 4.48Å; F568-Y639 HydrophobicContact CD2-CD2 4.47Å; F568-Y639 HydrophobicContact CD2-CE2 4.38Å; F568-Y639 HydrophobicContact CE2-CD1 4.16Å; F568-Y639 AromaticContact CE2-CD2 3.81Å; F568-Y639 HydrophobicContact CE2-CD2 3.81Å; F568-Y639 HydrophobicContact CE2-CE1 4.5Å; F568-Y639 HydrophobicContact CE2-CE2 4.16Å; F568-Y639 AromaticContact CE2-CG 3.79Å; F568-Y639 HydrophobicContact CE2-CG 3.79Å; F568-Y639 HydrophobicContact CZ-CG 4.3Å; F568-L656 HydrophobicContact CD1-CD2 3.92Å; F568-L656 HydrophobicContact CE1-CD2 4.04Å; F568-V659 HydrophobicContact CE1-CB 4.37Å; F568-V659 HydrophobicContact CE1-CG1 3.73Å; F568-V659 HydrophobicContact CE1-CG2 3.93Å; F568-V659 HydrophobicContact CZ-CG1 3.59Å; F568-V659 HydrophobicContact CZ-CG2 4.36Å; F568-W682 HydrophobicContact CB-CG 4.16Å; F568-W682 AromaticContact CD1-CD1 3.7Å; F568-W682 AromaticContact CD1-NE1 3.25Å; F568-W682 VanDerWaalsContact CD1-NE1 3.25Å; F568-W682 AromaticContact CD2-CD1 3.64Å; F568-W682 AromaticContact CD2-NE1 3.95Å; F568-W682 AromaticContact CE1-NE1 3.61Å; F568-W682 AromaticContact CG-CD1 3.36Å; F568-W682 HydrophobicContact CG-CG 4.32Å; F568-W682 AromaticContact CG-NE1 3.47Å
569	N	96.1	Very high	93.5	Very high	39 Å²	39	46.1 Å²	46.1	21%	0.209	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-32.5	178.1	-76.7	-34.5	0	0	0	112.3	V565 K566 Q571 L572 K573 L582	V565-N569 WeakPolarHBondContact O-CB 3.36Å; V565-N569 PolarHBondContact O-N 2.96Å; V565-N569 PolarHBondContact O-ND2 2.86Å; K566-N569 PolarHBondContact O-N 2.8Å; N569-Q571 VanDerWaalsContact C-N 3.32Å; N569-Q571 PolarHBondContact O-N 2.84Å; N569-L572 PolarHBondContact O-N 2.98Å; N569-K573 PolarHBondContact O-N 3.02Å; N569-K573 VanDerWaalsContact O-N 3.09Å; N569-L582 PolarHBondContact ND2-O 2.92Å; N569-L582 PolarHBondContact OD1-N 3.49Å
570	E	94.8	Very high	93.5	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-40.3	173.3	-162.1	62.8	-148.2	0	0	111.6	K566 A567 F568 K573	K566-E570 PolarHBondContact O-N 3.13Å; A567-E570 WeakPolarHBondContact O-CB 3.37Å; A567-E570 PolarHBondContact O-N 3.25Å; F568-E570 VanDerWaalsContact C-N 3.27Å; F568-E570 PolarHBondContact O-N 3.19Å; E570-K573 WeakPolarHBondContact O-CB 3.5Å; E570-K573 PolarHBondContact O-N 3.16Å; E570-K573 WeakPolarHBondContact OE1-CD 3.36Å; E570-K573 IonicContact OE1-NZ 3.77Å; E570-K573 PolarHBondContact OE1-NZ 3.44Å; E570-K573 WeakPolarHBondContact OE2-CE 3.4Å; E570-K573 IonicContact OE2-NZ 2.79Å; E570-K573 PolarHBondContact OE2-NZ 2.87Å
571	Q	90.2	Very high	93.5	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-40.3	173.4	-65.4	-56.7	-31.3	0	0	112.3	A567 F568 N569 K573 L656 L679 W682	A567-Q571 PolarHBondContact O-N 3.4Å; F568-Q571 WeakPolarHBondContact O-CB 3.35Å; F568-Q571 PolarHBondContact O-N 2.8Å; F568-Q571 VanDerWaalsContact O-N 3.15Å; N569-Q571 VanDerWaalsContact C-N 3.32Å; N569-Q571 PolarHBondContact O-N 2.84Å; Q571-K573 PolarHBondContact O-N 3.45Å; Q571-L656 HydrophobicContact CG-CD1 3.55Å; Q571-L679 HydrophobicContact CB-CD2 3.84Å; Q571-W682 HydrophobicContact CB-CE3 4.44Å
572	L	92.2	Very high	93.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-18.9	179.3	-66.6	177.1	0	0	0	113.5	F568 N569 K574 Q575 Q576 C579 L582 W682 C683	F568-L572 WeakPolarHBondContact O-CG 3.4Å; F568-L572 PolarHBondContact O-N 3.38Å; F568-L572 VanDerWaalsContact O-N 3.09Å; N569-L572 PolarHBondContact O-N 2.98Å; L572-K574 PolarHBondContact O-N 3.41Å; L572-K574 VanDerWaalsContact O-N 3.15Å; L572-Q575 CarbonylContact O-C 3.31Å; L572-Q575 VanDerWaalsContact O-C 3.22Å; L572-Q575 WeakPolarHBondContact O-CA 3.29Å; L572-Q575 PolarHBondContact O-N 3.47Å; L572-Q576 PolarHBondContact O-N 2.9Å; L572-C579 HydrophobicContact CD2-CB 3.86Å; L572-L582 HydrophobicContact CD1-CD1 4.32Å; L572-L582 HydrophobicContact CD1-CG 4.04Å; L572-W682 HydrophobicContact CD1-CB 4.15Å; L572-W682 HydrophobicContact CD2-CB 3.9Å; L572-W682 HydrophobicContact CG-CB 4.1Å; L572-C683 HydrophobicContact CD2-CB 4.09Å
573	K	91.2	Very high	93.5	Very high	114 Å²	114	57 Å²	57	50%	0.496	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-54.4	-35.1	177.8	-77.5	-175.1	-176.9	167.3	0	113.1	N569 E570 Q571 Q575 Q576	N569-K573 PolarHBondContact O-N 3.02Å; N569-K573 VanDerWaalsContact O-N 3.09Å; E570-K573 WeakPolarHBondContact O-CB 3.5Å; E570-K573 PolarHBondContact O-N 3.16Å; E570-K573 WeakPolarHBondContact OE1-CD 3.36Å; E570-K573 IonicContact OE1-NZ 3.77Å; E570-K573 PolarHBondContact OE1-NZ 3.44Å; E570-K573 WeakPolarHBondContact OE2-CE 3.4Å; E570-K573 IonicContact OE2-NZ 2.79Å; E570-K573 PolarHBondContact OE2-NZ 2.87Å; Q571-K573 PolarHBondContact O-N 3.45Å; K573-Q575 PolarHBondContact O-N 3.46Å; K573-Q575 VanDerWaalsContact O-N 3.07Å; K573-Q576 PolarHBondContact O-N 2.9Å
574	K	86.4	Confident	93.5	Very high	141 Å²	141	56 Å²	56	61%	0.613	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-55.6	-26.1	175.7	-65.7	176.4	-178.2	168.1	0	112.5	L572	L572-K574 PolarHBondContact O-N 3.41Å; L572-K574 VanDerWaalsContact O-N 3.15Å
575	Q	90.2	Very high	93.4	Very high	49 Å²	49	58 Å²	58	23%	0.229	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-134.7	30.3	-174	-57.6	-66.4	-17.8	0	0	111.7	L572 K573 M577 L578 C579 I672 L679	L572-Q575 CarbonylContact O-C 3.31Å; L572-Q575 VanDerWaalsContact O-C 3.22Å; L572-Q575 WeakPolarHBondContact O-CA 3.29Å; L572-Q575 PolarHBondContact O-N 3.47Å; K573-Q575 PolarHBondContact O-N 3.46Å; K573-Q575 VanDerWaalsContact O-N 3.07Å; Q575-M577 PolarHBondContact O-N 2.99Å; Q575-L578 PolarHBondContact O-N 3.32Å; Q575-C579 PolarHBondContact O-N 2.95Å; Q575-I672 HydrophobicContact CB-CD1 3.76Å; Q575-I672 VanDerWaalsContact CD-CD1 3.4Å; Q575-I672 HydrophobicContact CG-CD1 3.31Å; Q575-I672 HydrophobicContact CG-CG1 4.22Å; Q575-L679 HydrophobicContact CB-CD1 4.17Å; Q575-L679 HydrophobicContact CG-CD1 3.52Å
576	Q	91	Very high	93.3	Very high	122 Å²	122	58.8 Å²	58.8	57%	0.57	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.5	-174	63.6	-179.8	-17.3	0	0	115	L572 K573 Y686	L572-Q576 PolarHBondContact O-N 2.9Å; K573-Q576 PolarHBondContact O-N 2.9Å; Q576-Y686 VanDerWaalsContact O-CE2 3.31Å; Q576-Y686 WeakPolarHBondContact O-CE2 3.47Å; Q576-Y686 PolarHBondContact O-OH 2.94Å
577	M	92	Very high	93.2	Very high	158 Å²	158	55 Å²	55	78%	0.778	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.6	175.9	-61	-56.8	-64.8	0	0	112.7	Q575	Q575-M577 PolarHBondContact O-N 2.99Å
578	L	92.8	Very high	93	Very high	47 Å²	47	57.9 Å²	57.9	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-45.4	-178.1	-61	178	0	0	0	110.9	Q575 C671 I672 K675 C685 Y686	Q575-L578 PolarHBondContact O-N 3.32Å; L578-C671 HydrophobicContact CB-CB 4.42Å; L578-I672 HydrophobicContact CD1-CD1 3.9Å; L578-K675 HydrophobicContact CD1-CD 3.78Å; L578-C685 VanDerWaalsContact O-CA 3.29Å; L578-C685 WeakPolarHBondContact O-CA 3.4Å; L578-Y686 VanDerWaalsContact O-CD2 3.28Å; L578-Y686 WeakPolarHBondContact O-CD2 3.49Å; L578-Y686 PolarHBondContact O-N 3.14Å; L578-Y686 VanDerWaalsContact O-N 3.14Å
579	C	94.1	Very high	92.8	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.014	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-98.3	129.8	-175.7	-53.5	0	0	0	0	111	L572 Q575 C683 L684 Y686	L572-C579 HydrophobicContact CD2-CB 3.86Å; Q575-C579 PolarHBondContact O-N 2.95Å; C579-C683 HydrophobicContact CB-CB 3.91Å; C579-C683 WeakPolarHBondContact CB-SG 2.99Å; C579-C683 WeakPolarHBondContact SG-CB 3.46Å; C579-C683 CovalentContact SG-SG 2.03Å; C579-C683 PolarHBondContact SG-SG 2.82Å; C579-L684 CarbonylContact C-O 3.59Å; C579-L684 WeakPolarHBondContact CA-O 3.02Å; C579-Y686 WeakPolarHBondContact O-CE2 3.47Å
580	S	93.9	Very high	92.6	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.07	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-69.2	142.5	172.8	-171.2	0	0	0	0	111.5	L684	S580-L684 WeakPolarHBondContact CB-O 3.45Å; S580-L684 PolarHBondContact N-O 2.88Å
581	P	95.1	Very high	92.3	Very high	65 Å²	65	56.2 Å²	56.2	42%	0.422	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-66.5	141.5	175.1	28	-35.4	0	0	0	111.8
582	L	95.2	Very high	92.2	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.031	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-84.7	146.9	176	-58.6	-179.7	0	0	0	111.1	V565 F568 N569 L572 N633 Y639 W682	V565-L582 HydrophobicContact CG1-CB 4.22Å; V565-L582 WeakPolarHBondContact CG1-O 3.44Å; F568-L582 HydrophobicContact CB-CD1 4.19Å; F568-L582 HydrophobicContact CD2-CD1 4.2Å; N569-L582 PolarHBondContact ND2-O 2.92Å; N569-L582 PolarHBondContact OD1-N 3.49Å; L572-L582 HydrophobicContact CD1-CD1 4.32Å; L572-L582 HydrophobicContact CD1-CG 4.04Å; L582-N633 CarbonylContact C-O 3.57Å; L582-N633 WeakPolarHBondContact CA-O 3.17Å; L582-Y639 HydrophobicContact CD1-CE2 4.33Å; L582-W682 HydrophobicContact CD1-CB 4.16Å
583	R	95.2	Very high	91.7	Very high	179 Å²	179	55 Å²	55	68%	0.675	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.4	171.2	-62.1	-178.4	-174.6	167.6	2.2	109.4	D585 T632 N633	R583-D585 PolarHBondContact O-N 3.39Å; R583-T632 CarbonylContact O-C 3.53Å; R583-T632 WeakPolarHBondContact O-CA 3.45Å; R583-T632 VanDerWaalsContact O-CB 3.23Å; R583-T632 WeakPolarHBondContact O-CB 3.09Å; R583-N633 PolarHBondContact N-O 3.45Å; R583-N633 PolarHBondContact O-N 3.36Å
584	L	94.8	Very high	91	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	126.2	172.3	-176.9	61.9	0	0	0	109.1	Y68 W558 A561 V565 I630	Y68-L584 HydrophobicContact CE2-CB 4.42Å; W558-L584 HydrophobicContact CE3-CD2 3.78Å; W558-L584 HydrophobicContact CH2-CD2 4.3Å; W558-L584 HydrophobicContact CZ3-CD2 3.58Å; W558-L584 HydrophobicContact CZ3-CG 4.33Å; A561-L584 HydrophobicContact CB-CD1 3.97Å; A561-L584 HydrophobicContact CB-CD2 3.62Å; A561-L584 HydrophobicContact CB-CG 4.47Å; V565-L584 HydrophobicContact CG2-CB 4Å; V565-L584 HydrophobicContact CG2-CD1 4.16Å; L584-I630 HydrophobicContact CD1-CB 4.06Å; L584-I630 HydrophobicContact CD1-CD1 4.36Å; L584-I630 HydrophobicContact CD1-CG2 4.41Å
585	D	93.7	Very high	90.7	Very high	41 Å²	41	45.7 Å²	45.7	22%	0.219	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-51.6	176.6	-178.4	62.6	0	0	0	110.7	R583 R631 N633 K636	R583-D585 PolarHBondContact O-N 3.39Å; D585-R631 WeakPolarHBondContact CA-O 3.4Å; D585-R631 HydrophobicContact CB-CB 4.46Å; D585-R631 HydrophobicContact CB-CG 4.45Å; D585-R631 VanDerWaalsContact CB-O 3.28Å; D585-R631 WeakPolarHBondContact CB-O 3.38Å; D585-R631 PolarHBondContact N-O 2.93Å; D585-R631 IonicContact OD2-CZ 2.91Å; D585-R631 IonicContact OD2-NE 3.17Å; D585-R631 PolarHBondContact OD2-NE 3.44Å; D585-R631 IonicContact OD2-NH2 3.27Å; D585-R631 PolarHBondContact OD2-NH2 2.86Å; D585-N633 PolarHBondContact OD1-ND2 3.46Å; D585-K636 IonicContact OD1-NZ 3.67Å; D585-K636 PolarHBondContact OD1-NZ 3.28Å; D585-K636 WeakPolarHBondContact OD2-CD 3.46Å; D585-K636 IonicContact OD2-NZ 3.9Å; D585-K636 PolarHBondContact OD2-NZ 3.49Å
586	S	93.5	Very high	90.2	Very high	23 Å²	23	45 Å²	45	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	155.5	-179.3	58.6	0	0	0	0	111.6	R631	S586-R631 PolarHBondContact N-O 3.09Å; S586-R631 PolarHBondContact O-N 2.96Å; S586-R631 PolarHBondContact OG-NE 2.95Å; S586-R631 PolarHBondContact OG-NH2 3.45Å; S586-R631 VanDerWaalsContact OG-NH2 3.13Å
587	I	94.8	Very high	89.7	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.062	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121.6	165.6	-55.1	175.4	0	0	0	107.4	T552 S557 W558 A561 E589 A590 I630	T552-I587 HydrophobicContact CG2-CG2 4.21Å; S557-I587 VanDerWaalsContact C-CD1 3.4Å; S557-I587 WeakPolarHBondContact O-CD1 3.25Å; W558-I587 HydrophobicContact CB-CD1 4.5Å; W558-I587 HydrophobicContact CD2-CD1 4.31Å; W558-I587 HydrophobicContact CG-CD1 4.01Å; A561-I587 HydrophobicContact CB-CD1 3.61Å; A561-I587 HydrophobicContact CB-CG1 3.71Å; I587-E589 WeakPolarHBondContact CG2-O 3.44Å; I587-A590 HydrophobicContact CG2-CB 4.19Å; I587-I630 HydrophobicContact CG1-CG2 4.33Å
588	L	91.6	Very high	89.2	Confident	66 Å²	66	39 Å²	39	35%	0.346	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-44.9	179.2	-55.9	-177.5	0	0	0	110.5	T552 T629 R631 I638	T552-L588 WeakPolarHBondContact CG2-O 3.43Å; L588-T629 HydrophobicContact CB-CG2 4.25Å; L588-T629 WeakPolarHBondContact CB-O 3.47Å; L588-T629 HydrophobicContact CD1-CG2 4.19Å; L588-T629 PolarHBondContact N-O 3.07Å; L588-R631 HydrophobicContact CD1-CB 4.4Å; L588-R631 HydrophobicContact CD2-CB 4.38Å; L588-R631 HydrophobicContact CG-CB 4.33Å; L588-I638 HydrophobicContact CD1-CD1 4.14Å; L588-I638 HydrophobicContact CD1-CG1 4.39Å; L588-I638 HydrophobicContact CD1-CG2 3.95Å
589	E	90.7	Very high	88.7	Confident	70 Å²	70	36.9 Å²	36.9	33%	0.327	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.8	176.9	-54	-165.3	163.2	0	0	110.8	I587 Y591 L628 T629	I587-E589 WeakPolarHBondContact CG2-O 3.44Å; E589-Y591 HydrophobicContact CB-CD2 4.5Å; E589-Y591 HydrophobicContact CB-CE2 3.7Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.3Å; E589-Y591 PolarHBondContact OE2-OH 2.92Å; E589-L628 WeakPolarHBondContact O-CA 3.29Å; E589-T629 PolarHBondContact N-O 3.15Å; E589-T629 PolarHBondContact O-N 3.29Å
590	A	91.7	Very high	88	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.7	172.9	0	0	0	0	0	109.3	L550 I587 R627 L628	L550-A590 HydrophobicContact CB-CB 4.04Å; L550-A590 PolarHBondContact N-O 2.92Å; I587-A590 HydrophobicContact CG2-CB 4.19Å; A590-R627 CarbonylContact C-O 3.47Å; A590-R627 WeakPolarHBondContact CA-O 3.4Å; A590-L628 HydrophobicContact CB-CG 4.27Å
591	Y	88	Confident	87.4	Confident	38 Å²	38	37.5 Å²	37.5	15%	0.149	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.5	176.5	-55.3	-96.2	0	0	0	109.9	K548 K549 E589 Y626 R627	K548-Y591 CarbonylContact O-C 3.59Å; K548-Y591 WeakPolarHBondContact O-CA 3.41Å; K549-Y591 HydrophobicContact CB-CD1 3.91Å; K549-Y591 HydrophobicContact CB-CE1 3.8Å; K549-Y591 HydrophobicContact CD-CE1 4.24Å; K549-Y591 HydrophobicContact CG-CD1 4.27Å; K549-Y591 HydrophobicContact CG-CE1 3.91Å; E589-Y591 HydrophobicContact CB-CD2 4.5Å; E589-Y591 HydrophobicContact CB-CE2 3.7Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.3Å; E589-Y591 PolarHBondContact OE2-OH 2.92Å; Y591-Y626 CarbonylContact O-C 3.58Å; Y591-Y626 VanDerWaalsContact O-CA 3.31Å; Y591-Y626 WeakPolarHBondContact O-CA 3.39Å; Y591-R627 PolarHBondContact N-O 3.49Å; Y591-R627 PolarHBondContact O-N 3.21Å
592	V	88.6	Confident	86.7	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136	168.4	64.2	0	0	0	0	109.3	K548 L550 Q594 D624 S625 Y626	K548-V592 HydrophobicContact CB-CG1 4.24Å; K548-V592 PolarHBondContact N-O 3.45Å; K548-V592 PolarHBondContact O-N 3.31Å; L550-V592 HydrophobicContact CD1-CB 3.93Å; L550-V592 HydrophobicContact CD1-CG1 4.11Å; L550-V592 HydrophobicContact CD2-CG1 3.86Å; L550-V592 HydrophobicContact CG-CB 4.25Å; L550-V592 HydrophobicContact CG-CG1 3.94Å; V592-Q594 HydrophobicContact CB-CG 4.45Å; V592-Q594 HydrophobicContact CG1-CG 3.91Å; V592-Q594 HydrophobicContact CG2-CG 3.84Å; V592-D624 HydrophobicContact CG2-CB 4.09Å; V592-S625 CarbonylContact C-O 3.42Å; V592-S625 WeakPolarHBondContact CA-O 3.35Å; V592-Y626 HydrophobicContact CB-CD1 3.95Å; V592-Y626 HydrophobicContact CB-CE1 3.8Å; V592-Y626 HydrophobicContact CG2-CD1 3.94Å; V592-Y626 HydrophobicContact CG2-CE1 3.56Å; V592-Y626 HydrophobicContact CG2-CE2 4.16Å; V592-Y626 HydrophobicContact CG2-CG 4.4Å
593	S	80.5	Confident	86	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.1	170.6	65.7	0	0	0	0	108.8	S546 S625	S546-S593 WeakPolarHBondContact O-CA 3.31Å; S593-S625 PolarHBondContact N-O 3.15Å; S593-S625 WeakPolarHBondContact OG-CB 3.3Å; S593-S625 PolarHBondContact OG-N 3.37Å; S593-S625 PolarHBondContact OG-O 3.46Å
594	Q	77.8	Confident	85.2	Confident	57 Å²	57	30 Å²	30	27%	0.266	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.6	-179.7	-71.6	-175.7	-29.4	0	0	111.1	S546 K548 V592	S546-Q594 PolarHBondContact N-O 3Å; S546-Q594 PolarHBondContact O-N 2.97Å; S546-Q594 PolarHBondContact OG-O 2.84Å; K548-Q594 HydrophobicContact CD-CB 4.36Å; V592-Q594 HydrophobicContact CB-CG 4.45Å; V592-Q594 HydrophobicContact CG1-CG 3.91Å; V592-Q594 HydrophobicContact CG2-CG 3.84Å
595	P	80	Confident	84.6	Confident	3 Å²	3	31 Å²	31	2%	0.019	17%	0.171	C	C	.	.			trans	-63.3	172.8	166.8	-14.8	27.7	0	0	0	112.1	L545 K548 F599 V600 V621	L545-P595 HydrophobicContact CD2-CB 4.42Å; L545-P595 HydrophobicContact CD2-CG 3.73Å; K548-P595 PolarHBondContact NZ-O 2.85Å; P595-F599 HydrophobicContact CB-CB 3.9Å; P595-F599 HydrophobicContact CB-CD1 3.49Å; P595-F599 VanDerWaalsContact CB-CD1 3.49Å; P595-F599 HydrophobicContact CB-CE1 4.22Å; P595-F599 HydrophobicContact CB-CG 3.77Å; P595-F599 HydrophobicContact CG-CD1 3.84Å; P595-F599 HydrophobicContact CG-CE1 4.14Å; P595-V600 HydrophobicContact CB-CG1 4.19Å; P595-V600 HydrophobicContact CG-CG1 4.12Å; P595-V621 HydrophobicContact CG-CB 4.45Å; P595-V621 HydrophobicContact CG-CG1 3.36Å; P595-V621 HydrophobicContact CG-CG2 4.26Å
596	T	79.1	Confident	84	Confident	34 Å²	34	35.5 Å²	35.5	21%	0.209	19%	0.188	C	C	.	.			trans	-61.9	158.4	168.3	61.7	0	0	0	0	111	P539 E598 F599 V600	P539-T596 PolarHBondContact O-OG1 2.83Å; T596-E598 VanDerWaalsContact C-N 3.29Å; T596-E598 PolarHBondContact O-N 3.37Å; T596-F599 WeakPolarHBondContact O-CB 3.32Å; T596-F599 PolarHBondContact O-N 2.95Å; T596-F599 WeakPolarHBondContact OG1-CB 3.4Å; T596-F599 PolarHBondContact OG1-N 3.32Å; T596-V600 PolarHBondContact O-N 2.82Å
597	D	80.5	Confident	83.3	Confident	68 Å²	68	36.3 Å²	36.3	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-69.2	-34.8	-178.7	-77.9	11.9	0	0	0	111	K548 V600 A601 R618	K548-D597 IonicContact NZ-OD1 3.98Å; K548-D597 PolarHBondContact NZ-OD1 2.71Å; D597-V600 WeakPolarHBondContact O-CG2 3.49Å; D597-A601 WeakPolarHBondContact O-CB 3.45Å; D597-A601 PolarHBondContact O-N 2.65Å; D597-A601 VanDerWaalsContact O-N 3.15Å; D597-R618 IonicContact OD1-CZ 2.65Å; D597-R618 IonicContact OD1-NH1 2.71Å; D597-R618 PolarHBondContact OD1-NH1 2.97Å; D597-R618 IonicContact OD1-NH2 3.78Å; D597-R618 PolarHBondContact OD1-NH2 3.29Å; D597-R618 IonicContact OD2-CZ 2.72Å; D597-R618 IonicContact OD2-NH1 3.53Å; D597-R618 PolarHBondContact OD2-NH1 3.04Å; D597-R618 IonicContact OD2-NH2 2.63Å
598	E	80.8	Confident	82.4	Confident	85 Å²	85	43 Å²	43	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-38.9	174	-60.8	81.1	178.8	0	0	111.5	P539 Q540 T596 A601 F602 F615	P539-E598 HydrophobicContact CB-CB 4.03Å; P539-E598 HydrophobicContact CB-CG 4.06Å; Q540-E598 HydrophobicContact CB-CB 4.18Å; T596-E598 VanDerWaalsContact C-N 3.29Å; T596-E598 PolarHBondContact O-N 3.37Å; E598-A601 PolarHBondContact O-N 3.39Å; E598-F602 WeakPolarHBondContact O-CB 3.46Å; E598-F602 PolarHBondContact O-N 2.91Å; E598-F615 HydrophobicContact CB-CE1 4.02Å; E598-F615 HydrophobicContact CB-CZ 4.36Å; E598-F615 HydrophobicContact CG-CZ 4.49Å
599	F	82.5	Confident	81.7	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-48.2	178.2	176.7	-79.8	0	0	0	111.9	L458 R461 C542 P595 T596 A601 F602 V621	L458-F599 HydrophobicContact CD2-CE1 4.11Å; L458-F599 HydrophobicContact CD2-CE2 4.2Å; L458-F599 HydrophobicContact CD2-CZ 3.45Å; L458-F599 VanDerWaalsContact CD2-CZ 3.45Å; L458-F599 HydrophobicContact CG-CZ 4.09Å; R461-F599 VanDerWaalsContact CZ-CE2 3.48Å; R461-F599 PolarHBondContact NH2-O 2.91Å; C542-F599 WeakPolarHBondContact O-CD2 3.37Å; P595-F599 HydrophobicContact CB-CB 3.9Å; P595-F599 HydrophobicContact CB-CD1 3.49Å; P595-F599 VanDerWaalsContact CB-CD1 3.49Å; P595-F599 HydrophobicContact CB-CE1 4.22Å; P595-F599 HydrophobicContact CB-CG 3.77Å; P595-F599 HydrophobicContact CG-CD1 3.84Å; P595-F599 HydrophobicContact CG-CE1 4.14Å; T596-F599 WeakPolarHBondContact O-CB 3.32Å; T596-F599 PolarHBondContact O-N 2.95Å; T596-F599 WeakPolarHBondContact OG1-CB 3.4Å; T596-F599 PolarHBondContact OG1-N 3.32Å; F599-A601 VanDerWaalsContact C-N 3.35Å; F599-F602 PolarHBondContact O-N 3.25Å; F599-V621 HydrophobicContact CE1-CG1 4.34Å
600	V	80.7	Confident	80.9	Confident	10 Å²	10	38.3 Å²	38.3	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-72.6	-30.1	-176.7	-66	0	0	0	0	112.3	P595 T596 D597 R618 L619	P595-V600 HydrophobicContact CB-CG1 4.19Å; P595-V600 HydrophobicContact CG-CG1 4.12Å; T596-V600 PolarHBondContact O-N 2.82Å; D597-V600 WeakPolarHBondContact O-CG2 3.49Å; V600-R618 HydrophobicContact CG2-CB 4.18Å; V600-R618 HydrophobicContact CG2-CG 4.18Å; V600-L619 WeakPolarHBondContact CB-O 3.47Å; V600-L619 WeakPolarHBondContact CG1-O 3.45Å; V600-L619 PolarHBondContact O-N 2.8Å
601	A	81.2	Confident	80.2	Confident	15 Å²	15	41.8 Å²	41.8	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-81.8	-18	176.8	0	0	0	0	0	113.3	D597 E598 F599 V603 F615 G616 R618	D597-A601 WeakPolarHBondContact O-CB 3.45Å; D597-A601 PolarHBondContact O-N 2.65Å; D597-A601 VanDerWaalsContact O-N 3.15Å; E598-A601 PolarHBondContact O-N 3.39Å; F599-A601 VanDerWaalsContact C-N 3.35Å; A601-V603 PolarHBondContact O-N 2.83Å; A601-F615 HydrophobicContact CB-CB 4.3Å; A601-F615 HydrophobicContact CB-CD1 4Å; A601-F615 CarbonylContact O-C 3.39Å; A601-F615 WeakPolarHBondContact O-CA 3.08Å; A601-G616 PolarHBondContact O-N 2.77Å; A601-R618 HydrophobicContact CB-CG 4.46Å
602	F	80.2	Confident	80	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.7	-177	-176.9	-103.4	0	0	0	112.2	K457 R461 Q540 W541 E598 F599 G604 P613 F615	K457-F602 PolarHBondContact NZ-O 3.22Å; R461-F602 VanDerWaalsContact NH2-CD1 3.3Å; Q540-F602 HydrophobicContact CB-CB 4.13Å; Q540-F602 HydrophobicContact CB-CD2 3.96Å; Q540-F602 HydrophobicContact CB-CG 4.16Å; Q540-F602 HydrophobicContact CG-CD2 3.96Å; Q540-F602 HydrophobicContact CG-CE2 4.21Å; W541-F602 AromaticContact CH2-CE1 3.4Å; W541-F602 HydrophobicContact CH2-CE1 3.4Å; W541-F602 AromaticContact CH2-CZ 3.43Å; W541-F602 HydrophobicContact CH2-CZ 3.43Å; W541-F602 VanDerWaalsContact CH2-CZ 3.43Å; W541-F602 AromaticContact CZ2-CE1 3.8Å; W541-F602 HydrophobicContact CZ2-CE1 3.8Å; W541-F602 HydrophobicContact CZ2-CE2 4.15Å; W541-F602 AromaticContact CZ2-CZ 3.36Å; W541-F602 HydrophobicContact CZ2-CZ 3.36Å; W541-F602 AromaticContact CZ3-CE1 3.87Å; W541-F602 HydrophobicContact CZ3-CE1 3.87Å; W541-F602 HydrophobicContact CZ3-CZ 4.29Å; E598-F602 WeakPolarHBondContact O-CB 3.46Å; E598-F602 PolarHBondContact O-N 2.91Å; F599-F602 PolarHBondContact O-N 3.25Å; F602-G604 WeakPolarHBondContact CE2-O 3.11Å; F602-G604 VanDerWaalsContact CZ-CA 3.42Å; F602-G604 WeakPolarHBondContact CZ-O 3.22Å; F602-P613 HydrophobicContact CD2-CB 3.84Å; F602-P613 HydrophobicContact CE2-CB 3.73Å; F602-F615 HydrophobicContact CB-CD1 4.42Å; F602-F615 HydrophobicContact CB-CE1 4.37Å; F602-F615 HydrophobicContact CD2-CE1 4.38Å
603	V	80	Confident	79.7	Confident	73 Å²	73	46.4 Å²	46.4	44%	0.442	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-50.3	177.8	178.4	0	0	0	0	110	A601 Q614	A601-V603 PolarHBondContact O-N 2.83Å; V603-Q614 PolarHBondContact N-O 3.43Å
604	G	79.2	Confident	79.9	Confident	19 Å²	19	50.8 Å²	50.8	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-166.1	-176.1	0	0	0	0	0	110	F602 Q614	F602-G604 WeakPolarHBondContact CE2-O 3.11Å; F602-G604 VanDerWaalsContact CZ-CA 3.42Å; F602-G604 WeakPolarHBondContact CZ-O 3.22Å; G604-Q614 WeakPolarHBondContact O-CA 3.32Å; G604-Q614 VanDerWaalsContact O-CB 3.29Å; G604-Q614 WeakPolarHBondContact O-CB 3.33Å; G604-Q614 PolarHBondContact O-N 2.88Å
605	S	80.9	Confident	80.3	Confident	29 Å²	29	52.8 Å²	52.8	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.2	174.3	-66	0	0	0	0	112	D274 G610	D274-S605 WeakPolarHBondContact CB-OG 3.37Å; D274-S605 WeakPolarHBondContact OD2-CB 3.47Å; D274-S605 PolarHBondContact OD2-OG 3.04Å; S605-G610 WeakPolarHBondContact OG-CA 3.36Å
606	K	82.3	Confident	80.5	Confident	136 Å²	136	54.5 Å²	54.5	59%	0.591	28%	0.284	S	S	*	.	S	Bend	trans	-82.2	-35.5	178.3	-177.4	-175.8	159.6	-141.6	0	111.5	E612 Q614	K606-E612 HydrophobicContact CB-CB 4.16Å; K606-E612 WeakPolarHBondContact CB-O 3.35Å; K606-E612 PolarHBondContact N-O 2.84Å; K606-E612 IonicContact NZ-OE2 2.65Å; K606-E612 PolarHBondContact NZ-OE2 2.69Å; K606-Q614 HydrophobicContact CB-CB 3.93Å
607	D	79.3	Confident	80.3	Confident	40 Å²	40	60 Å²	60	21%	0.214	31%	0.312	C	S	.	.	S	Bend	trans	-103.9	160.4	-178.2	68.8	-47.7	0	0	0	111.8	D609 G610 R611 E612	D607-D609 PolarHBondContact O-N 2.86Å; D607-D609 WeakPolarHBondContact OD2-CB 3.31Å; D607-D609 PolarHBondContact OD2-N 3.01Å; D607-G610 PolarHBondContact O-N 3.25Å; D607-G610 PolarHBondContact OD1-N 3.38Å; D607-G610 PolarHBondContact OD2-N 2.7Å; D607-R611 PolarHBondContact OD1-N 3.26Å; D607-R611 PolarHBondContact OD2-N 2.78Å; D607-E612 HydrophobicContact CB-CB 4.33Å; D607-E612 WeakPolarHBondContact OD1-CA 3.39Å; D607-E612 PolarHBondContact OD1-N 2.91Å
608	Y	75.5	Confident	79.9	Confident	151 Å²	151	63.3 Å²	63.3	59%	0.592	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.3	178.3	-179.8	-98.3	0	0	0	112.9	Y336 R337	Y336-Y608 HydrophobicContact CE1-CE2 4.22Å; Y336-Y608 AromaticContact CE1-CZ 3.82Å; Y336-Y608 VanDerWaalsContact CE1-OH 3.27Å; Y336-Y608 WeakPolarHBondContact CE1-OH 3.27Å; Y336-Y608 AromaticContact CZ-CZ 3.99Å; Y336-Y608 PolarHBondContact OH-OH 2.78Å; R337-Y608 HydrophobicContact CB-CE1 3.88Å
609	D	75.7	Confident	79.3	Confident	20 Å²	20	63.2 Å²	63.2	11%	0.107	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.5	-175.7	-61.7	-50	0	0	0	113.6	R296 D607 R611	R296-D609 WeakPolarHBondContact CD-OD1 3.46Å; R296-D609 WeakPolarHBondContact CD-OD2 3.32Å; R296-D609 IonicContact CZ-OD2 3.01Å; R296-D609 IonicContact NE-OD2 2.73Å; R296-D609 IonicContact NH1-OD2 2.8Å; R296-D609 PolarHBondContact NH1-OD2 2.99Å; D607-D609 PolarHBondContact O-N 2.86Å; D607-D609 WeakPolarHBondContact OD2-CB 3.31Å; D607-D609 PolarHBondContact OD2-N 3.01Å; D609-R611 HydrophobicContact CB-CG 4.32Å
610	G	75.2	Confident	78.7	Confident	19 Å²	19	65 Å²	65	20%	0.196	34%	0.341	C	S	.	.	S	Bend	trans	77.8	18.7	178.8	0	0	0	0	0	115	S605 D607	S605-G610 WeakPolarHBondContact OG-CA 3.36Å; D607-G610 PolarHBondContact O-N 3.25Å; D607-G610 PolarHBondContact OD1-N 3.38Å; D607-G610 PolarHBondContact OD2-N 2.7Å
611	R	76.4	Confident	78.5	Confident	73 Å²	73	64.9 Å²	64.9	28%	0.275	34%	0.34	S	S	.	.			trans	-93.7	-27.9	-176.9	-62.5	-170	-175.9	177.5	2.2	113	E289 E294 D607 D609	E289-R611 IonicContact OE1-CZ 3.92Å; E289-R611 IonicContact OE1-NE 3.58Å; E289-R611 IonicContact OE1-NH2 3.74Å; E289-R611 PolarHBondContact OE1-NH2 3.3Å; E294-R611 IonicContact OE1-NH2 2.65Å; E294-R611 IonicContact OE2-NH1 2.69Å; E294-R611 IonicContact OE2-NH2 2.87Å; D607-R611 PolarHBondContact OD1-N 3.26Å; D607-R611 PolarHBondContact OD2-N 2.78Å; D609-R611 HydrophobicContact CB-CG 4.32Å
612	E	83.2	Confident	78.3	Confident	97 Å²	97	64.2 Å²	64.2	45%	0.453	33%	0.334	S	S	.	.	S	Bend	trans	-102.2	120.8	179.6	-69.9	-172.5	-162.7	0	0	110.9	K606 D607	K606-E612 HydrophobicContact CB-CB 4.16Å; K606-E612 WeakPolarHBondContact CB-O 3.35Å; K606-E612 PolarHBondContact N-O 2.84Å; K606-E612 IonicContact NZ-OE2 2.65Å; K606-E612 PolarHBondContact NZ-OE2 2.69Å; D607-E612 HydrophobicContact CB-CB 4.33Å; D607-E612 WeakPolarHBondContact OD1-CA 3.39Å; D607-E612 PolarHBondContact OD1-N 2.91Å
613	P	83.1	Confident	78.4	Confident	39 Å²	39	64.8 Å²	64.8	25%	0.253	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.6	175.2	29.8	-34	0	0	0	111.7	Q540 F602 F615	Q540-P613 HydrophobicContact CG-CB 4.23Å; F602-P613 HydrophobicContact CD2-CB 3.84Å; F602-P613 HydrophobicContact CE2-CB 3.73Å; P613-F615 HydrophobicContact CB-CE1 4.16Å; P613-F615 HydrophobicContact CB-CE2 3.95Å; P613-F615 HydrophobicContact CB-CZ 3.68Å; P613-F615 HydrophobicContact CG-CE2 3.61Å; P613-F615 HydrophobicContact CG-CZ 3.6Å
614	Q	85.1	Confident	78.6	Confident	93 Å²	93	62.1 Å²	62.1	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	165.2	-168.4	179	19.1	0	0	109.6	V603 G604 K606	V603-Q614 PolarHBondContact N-O 3.43Å; G604-Q614 WeakPolarHBondContact O-CA 3.32Å; G604-Q614 VanDerWaalsContact O-CB 3.29Å; G604-Q614 WeakPolarHBondContact O-CB 3.33Å; G604-Q614 PolarHBondContact O-N 2.88Å; K606-Q614 HydrophobicContact CB-CB 3.93Å
615	F	86	Confident	78.9	Confident	100 Å²	100	62.1 Å²	62.1	44%	0.439	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	143.6	173.9	-58.5	-66.9	0	0	0	110.8	Q540 E598 A601 F602 P613	Q540-F615 HydrophobicContact CB-CE1 4.07Å; Q540-F615 HydrophobicContact CB-CZ 4.43Å; E598-F615 HydrophobicContact CB-CE1 4.02Å; E598-F615 HydrophobicContact CB-CZ 4.36Å; E598-F615 HydrophobicContact CG-CZ 4.49Å; A601-F615 HydrophobicContact CB-CB 4.3Å; A601-F615 HydrophobicContact CB-CD1 4Å; A601-F615 CarbonylContact O-C 3.39Å; A601-F615 WeakPolarHBondContact O-CA 3.08Å; F602-F615 HydrophobicContact CB-CD1 4.42Å; F602-F615 HydrophobicContact CB-CE1 4.37Å; F602-F615 HydrophobicContact CD2-CE1 4.38Å; P613-F615 HydrophobicContact CB-CE1 4.16Å; P613-F615 HydrophobicContact CB-CE2 3.95Å; P613-F615 HydrophobicContact CB-CZ 3.68Å; P613-F615 HydrophobicContact CG-CE2 3.61Å; P613-F615 HydrophobicContact CG-CZ 3.6Å
616	G	82.8	Confident	79.4	Confident	39 Å²	39	61.6 Å²	61.6	40%	0.402	31%	0.311	S	S	.	.			trans	-141.2	-150.2	175.4	0	0	0	0	0	110.7	A601	A601-G616 PolarHBondContact O-N 2.77Å
617	D	76.8	Confident	79.6	Confident	148 Å²	148	56.8 Å²	56.8	79%	0.791	29%	0.289	S	S	*	.	S	Bend	trans	-62.1	142.6	178.9	-65.4	-33.2	0	0	0	111.8	L619	D617-L619 PolarHBondContact O-N 2.85Å
618	R	70.3	Confident	80.2	Confident	139 Å²	139	55 Å²	55	53%	0.525	28%	0.279	S	S	.	.			trans	-69.1	116	-179.6	-63.4	178	69.7	118.7	-0.4	109.8	D597 V600 A601	D597-R618 IonicContact OD1-CZ 2.65Å; D597-R618 IonicContact OD1-NH1 2.71Å; D597-R618 PolarHBondContact OD1-NH1 2.97Å; D597-R618 IonicContact OD1-NH2 3.78Å; D597-R618 PolarHBondContact OD1-NH2 3.29Å; D597-R618 IonicContact OD2-CZ 2.72Å; D597-R618 IonicContact OD2-NH1 3.53Å; D597-R618 PolarHBondContact OD2-NH1 3.04Å; D597-R618 IonicContact OD2-NH2 2.63Å; V600-R618 HydrophobicContact CG2-CB 4.18Å; V600-R618 HydrophobicContact CG2-CG 4.18Å; A601-R618 HydrophobicContact CB-CG 4.46Å
619	L	68.1	Low	81	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.435	25%	0.254	S	S	.	.			trans	-101.1	113.4	170.2	-76	156.8	0	0	0	108.4	K457 V600 D617	K457-L619 VanDerWaalsContact NZ-CD1 3.28Å; V600-L619 WeakPolarHBondContact CB-O 3.47Å; V600-L619 WeakPolarHBondContact CG1-O 3.45Å; V600-L619 PolarHBondContact O-N 2.8Å; D617-L619 PolarHBondContact O-N 2.85Å
620	G	70.9	Confident	82	Confident	41 Å²	41	47.3 Å²	47.3	42%	0.423	25%	0.249	S	C	.	.			trans	-62.1	171.2	175.6	0	0	0	0	0	112.9
621	V	77.1	Confident	82.9	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.036	25%	0.254	C	S	.	.			trans	-81.4	159.3	173.1	-80.9	0	0	0	0	111.2	L458 P595 F599 Y623 D624	L458-V621 HydrophobicContact CD1-CG1 4.17Å; L458-V621 HydrophobicContact CD2-CG1 4.44Å; L458-V621 HydrophobicContact CG-CG1 4.5Å; P595-V621 HydrophobicContact CG-CB 4.45Å; P595-V621 HydrophobicContact CG-CG1 3.36Å; P595-V621 HydrophobicContact CG-CG2 4.26Å; F599-V621 HydrophobicContact CE1-CG1 4.34Å; V621-Y623 WeakPolarHBondContact CG2-O 3.38Å; V621-Y623 PolarHBondContact O-N 3.19Å; V621-D624 WeakPolarHBondContact CG2-OD1 3.39Å
622	P	76.5	Confident	83.8	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.241	C	C	.	.	S	Bend	trans	-67.3	-24.5	178	27.3	-32.9	0	0	0	112.1	K454 Q455 L458 V647	K454-P622 HydrophobicContact CB-CB 4.04Å; K454-P622 HydrophobicContact CB-CG 4.26Å; Q455-P622 HydrophobicContact CB-CG 4.09Å; L458-P622 HydrophobicContact CD1-CG 4.26Å; P622-V647 PolarHBondContact O-N 3.32Å
623	Y	81.9	Confident	84.3	Confident	15 Å²	15	44.4 Å²	44.4	6%	0.059	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.3	-178	-55.9	-73.7	0	0	0	111.4	T111 N113 V621 L644 Y645 D646	T111-Y623 HydrophobicContact CG2-CD2 4.13Å; T111-Y623 HydrophobicContact CG2-CG 4.34Å; T111-Y623 WeakPolarHBondContact O-CD2 3.14Å; N113-Y623 HydrophobicContact CB-CE2 4.26Å; N113-Y623 WeakPolarHBondContact CB-OH 3.22Å; V621-Y623 WeakPolarHBondContact CG2-O 3.38Å; V621-Y623 PolarHBondContact O-N 3.19Å; Y623-L644 HydrophobicContact CD1-CD2 4.44Å; Y623-Y645 VanDerWaalsContact CA-O 3.28Å; Y623-Y645 WeakPolarHBondContact CA-O 3.45Å; Y623-D646 HydrophobicContact CD1-CB 4.08Å; Y623-D646 HydrophobicContact CE1-CB 3.86Å
624	D	85.4	Confident	84.6	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142	165	-73.5	-24.7	0	0	0	108.8	V592 V621 Y626 Y645	V592-D624 HydrophobicContact CG2-CB 4.09Å; V621-D624 WeakPolarHBondContact CG2-OD1 3.39Å; D624-Y626 HydrophobicContact CB-CD2 4.24Å; D624-Y626 HydrophobicContact CB-CE2 3.51Å; D624-Y626 PolarHBondContact OD2-OH 3.41Å; D624-Y645 HydrophobicContact CB-CD1 4.43Å; D624-Y645 PolarHBondContact N-O 2.92Å; D624-Y645 PolarHBondContact O-N 3.14Å
625	S	85.4	Confident	84.7	Confident	19 Å²	19	47 Å²	47	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.9	165.9	-48.9	0	0	0	0	110.1	W547 V592 S593 V643	W547-S625 WeakPolarHBondContact CZ3-O 3.28Å; V592-S625 CarbonylContact C-O 3.42Å; V592-S625 WeakPolarHBondContact CA-O 3.35Å; S593-S625 PolarHBondContact N-O 3.15Å; S593-S625 WeakPolarHBondContact OG-CB 3.3Å; S593-S625 PolarHBondContact OG-N 3.37Å; S593-S625 PolarHBondContact OG-O 3.46Å; S625-V643 CarbonylContact C-O 3.57Å; S625-V643 WeakPolarHBondContact CA-O 3.36Å
626	Y	90	Very high	84.9	Confident	18 Å²	18	46.4 Å²	46.4	7%	0.071	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.4	176.5	-67.2	-94.1	0	0	0	109.3	L550 I556 I560 Y591 V592 D624 T642 V643 Y645	L550-Y626 HydrophobicContact CD1-CD1 3.87Å; L550-Y626 HydrophobicContact CD1-CE1 3.77Å; I556-Y626 HydrophobicContact CG1-CE1 3.93Å; I556-Y626 HydrophobicContact CG2-CE1 4.29Å; I560-Y626 HydrophobicContact CD1-CD1 3.69Å; I560-Y626 HydrophobicContact CD1-CD2 3.77Å; I560-Y626 HydrophobicContact CD1-CE1 4.26Å; I560-Y626 HydrophobicContact CD1-CE2 4.36Å; I560-Y626 HydrophobicContact CD1-CG 3.41Å; I560-Y626 VanDerWaalsContact CD1-CG 3.41Å; Y591-Y626 CarbonylContact O-C 3.58Å; Y591-Y626 VanDerWaalsContact O-CA 3.31Å; Y591-Y626 WeakPolarHBondContact O-CA 3.39Å; V592-Y626 HydrophobicContact CB-CD1 3.95Å; V592-Y626 HydrophobicContact CB-CE1 3.8Å; V592-Y626 HydrophobicContact CG2-CD1 3.94Å; V592-Y626 HydrophobicContact CG2-CE1 3.56Å; V592-Y626 HydrophobicContact CG2-CE2 4.16Å; V592-Y626 HydrophobicContact CG2-CG 4.4Å; D624-Y626 HydrophobicContact CB-CD2 4.24Å; D624-Y626 HydrophobicContact CB-CE2 3.51Å; D624-Y626 PolarHBondContact OD2-OH 3.41Å; Y626-T642 CarbonylContact O-C 3.53Å; Y626-T642 VanDerWaalsContact O-CA 3.31Å; Y626-T642 WeakPolarHBondContact O-CA 3.36Å; Y626-V643 PolarHBondContact N-O 3.14Å; Y626-V643 PolarHBondContact O-N 3.28Å; Y626-Y645 HydrophobicContact CE2-CD1 4.11Å; Y626-Y645 HydrophobicContact CE2-CG 4.36Å
627	R	86.1	Confident	85.3	Confident	35 Å²	35	44.7 Å²	44.7	13%	0.132	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.5	171.2	-169.1	-177	75.3	154.6	4.8	109.1	T103 W547 A590 Y591 A641	T103-R627 PolarHBondContact OG1-NH1 3.41Å; W547-R627 HydrophobicContact CE3-CB 4.37Å; W547-R627 HydrophobicContact CH2-CB 3.87Å; W547-R627 HydrophobicContact CZ3-CB 3.68Å; A590-R627 CarbonylContact C-O 3.47Å; A590-R627 WeakPolarHBondContact CA-O 3.4Å; Y591-R627 PolarHBondContact N-O 3.49Å; Y591-R627 PolarHBondContact O-N 3.21Å; R627-A641 WeakPolarHBondContact CA-O 3.42Å
628	L	93.5	Very high	86	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.4	179	-71.3	79.3	0	0	0	110.3	S557 I560 A561 E589 A590 I630 E640 A641	S557-L628 VanDerWaalsContact O-CD2 3.24Å; S557-L628 WeakPolarHBondContact O-CD2 3.17Å; I560-L628 HydrophobicContact CB-CD1 4.19Å; I560-L628 HydrophobicContact CB-CD2 3.97Å; I560-L628 HydrophobicContact CD1-CD1 4.36Å; I560-L628 HydrophobicContact CG2-CD1 3.62Å; I560-L628 HydrophobicContact CG2-CD2 3.92Å; I560-L628 HydrophobicContact CG2-CG 4.41Å; A561-L628 HydrophobicContact CB-CD2 3.98Å; E589-L628 WeakPolarHBondContact O-CA 3.29Å; A590-L628 HydrophobicContact CB-CG 4.27Å; L628-I630 HydrophobicContact CB-CG2 4.01Å; L628-I630 HydrophobicContact CD2-CG2 4.31Å; L628-E640 WeakPolarHBondContact O-CA 3.34Å; L628-A641 PolarHBondContact N-O 3.12Å; L628-A641 PolarHBondContact O-N 2.95Å
629	T	91.6	Very high	87.1	Confident	10 Å²	10	33.1 Å²	33.1	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108	165.2	-53.2	0	0	0	0	106.8	L588 E589 I638 Y639 E640	L588-T629 HydrophobicContact CB-CG2 4.25Å; L588-T629 WeakPolarHBondContact CB-O 3.47Å; L588-T629 HydrophobicContact CD1-CG2 4.19Å; L588-T629 PolarHBondContact N-O 3.07Å; E589-T629 PolarHBondContact N-O 3.15Å; E589-T629 PolarHBondContact O-N 3.29Å; T629-I638 HydrophobicContact CG2-CG2 3.71Å; T629-Y639 CarbonylContact C-O 3.39Å; T629-Y639 VanDerWaalsContact CA-O 3.27Å; T629-Y639 WeakPolarHBondContact CA-O 3.43Å; T629-E640 HydrophobicContact CG2-CG 3.98Å
630	I	95.7	Very high	88	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	149.4	-175.9	66.7	172.5	0	0	0	110.8	A561 L564 V565 F568 L584 I587 L628 T632 I638 Y639	A561-I630 HydrophobicContact CB-CG2 3.73Å; L564-I630 HydrophobicContact CB-CD1 4.05Å; L564-I630 HydrophobicContact CD1-CD1 4.33Å; V565-I630 HydrophobicContact CG2-CD1 3.92Å; F568-I630 HydrophobicContact CE2-CD1 4.04Å; F568-I630 HydrophobicContact CZ-CD1 4.48Å; L584-I630 HydrophobicContact CD1-CB 4.06Å; L584-I630 HydrophobicContact CD1-CD1 4.36Å; L584-I630 HydrophobicContact CD1-CG2 4.41Å; I587-I630 HydrophobicContact CG1-CG2 4.33Å; L628-I630 HydrophobicContact CB-CG2 4.01Å; L628-I630 HydrophobicContact CD2-CG2 4.31Å; I630-T632 HydrophobicContact CD1-CG2 4.49Å; I630-I638 WeakPolarHBondContact O-CA 3.47Å; I630-Y639 HydrophobicContact CG1-CD2 4.4Å; I630-Y639 PolarHBondContact N-O 3.47Å; I630-Y639 PolarHBondContact O-N 3Å
631	R	94.8	Very high	88.9	Confident	79 Å²	79	30.8 Å²	30.8	30%	0.298	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.3	171.4	-167.9	169.9	65.9	-170.2	-3.9	109	D585 S586 L588 K636 A637 I638	D585-R631 WeakPolarHBondContact CA-O 3.4Å; D585-R631 HydrophobicContact CB-CB 4.46Å; D585-R631 HydrophobicContact CB-CG 4.45Å; D585-R631 VanDerWaalsContact CB-O 3.28Å; D585-R631 WeakPolarHBondContact CB-O 3.38Å; D585-R631 PolarHBondContact N-O 2.93Å; D585-R631 IonicContact OD2-CZ 2.91Å; D585-R631 IonicContact OD2-NE 3.17Å; D585-R631 PolarHBondContact OD2-NE 3.44Å; D585-R631 IonicContact OD2-NH2 3.27Å; D585-R631 PolarHBondContact OD2-NH2 2.86Å; S586-R631 PolarHBondContact N-O 3.09Å; S586-R631 PolarHBondContact O-N 2.96Å; S586-R631 PolarHBondContact OG-NE 2.95Å; S586-R631 PolarHBondContact OG-NH2 3.45Å; S586-R631 VanDerWaalsContact OG-NH2 3.13Å; L588-R631 HydrophobicContact CD1-CB 4.4Å; L588-R631 HydrophobicContact CD2-CB 4.38Å; L588-R631 HydrophobicContact CG-CB 4.33Å; R631-K636 HydrophobicContact CG-CB 4.22Å; R631-K636 HydrophobicContact CG-CD 4.27Å; R631-A637 CarbonylContact C-O 3.58Å; R631-A637 WeakPolarHBondContact CA-O 3.49Å; R631-I638 HydrophobicContact CG-CG1 4.32Å
632	T	95.5	Very high	89.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	157.5	174.7	70.7	0	0	0	0	111.4	V565 R583 I630 K636 A637 Y639	V565-T632 HydrophobicContact CG2-CG2 3.71Å; R583-T632 CarbonylContact O-C 3.53Å; R583-T632 WeakPolarHBondContact O-CA 3.45Å; R583-T632 VanDerWaalsContact O-CB 3.23Å; R583-T632 WeakPolarHBondContact O-CB 3.09Å; I630-T632 HydrophobicContact CD1-CG2 4.49Å; T632-K636 CarbonylContact O-C 3.58Å; T632-K636 WeakPolarHBondContact O-CA 3.28Å; T632-K636 PolarHBondContact O-N 2.88Å; T632-A637 PolarHBondContact N-O 2.84Å; T632-A637 PolarHBondContact O-N 3.11Å; T632-A637 WeakPolarHBondContact OG1-CB 3.46Å; T632-Y639 HydrophobicContact CG2-CD2 3.96Å; T632-Y639 HydrophobicContact CG2-CE2 3.81Å; T632-Y639 WeakPolarHBondContact OG1-CE2 3.15Å
633	N	93.2	Very high	89.8	Confident	49 Å²	49	32.5 Å²	32.5	26%	0.262	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.4	164	-71.9	-38.8	0	0	0	109	L582 R583 D585 K636	L582-N633 CarbonylContact C-O 3.57Å; L582-N633 WeakPolarHBondContact CA-O 3.17Å; R583-N633 PolarHBondContact N-O 3.45Å; R583-N633 PolarHBondContact O-N 3.36Å; D585-N633 PolarHBondContact OD1-ND2 3.46Å; N633-K636 PolarHBondContact ND2-NZ 2.86Å; N633-K636 WeakPolarHBondContact OD1-CD 3.23Å; N633-K636 WeakPolarHBondContact OD1-CE 3.15Å; N633-K636 PolarHBondContact OD1-NZ 3.36Å
634	P	89.8	Confident	90.1	Very high	37 Å²	37	32.9 Å²	32.9	24%	0.24	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	cis	-80.2	167.7	3.8	-6.1	25.1	0	0	0	112.9	K636 L684 L689	P634-K636 PolarHBondContact O-N 2.8Å; P634-L684 HydrophobicContact CB-CD2 3.46Å; P634-L684 VanDerWaalsContact CB-CD2 3.46Å; P634-L684 HydrophobicContact CG-CD2 3.6Å; P634-L689 HydrophobicContact CB-CD2 3.74Å; P634-L689 HydrophobicContact CG-CD2 3.37Å
635	R	87	Confident	90.3	Very high	149 Å²	149	33.9 Å²	33.9	56%	0.562	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	25	176.9	-64.8	-158.9	176.3	-143.1	3.4	118.4	A637 L684 Q688	R635-A637 PolarHBondContact O-N 2.91Å; R635-A637 VanDerWaalsContact O-N 3.14Å; R635-L684 HydrophobicContact CB-CD2 4.5Å; R635-L684 HydrophobicContact CG-CD1 4.41Å; R635-L684 HydrophobicContact CG-CD2 4.19Å; R635-Q688 VanDerWaalsContact CZ-O 3.3Å; R635-Q688 PolarHBondContact NE-O 2.89Å; R635-Q688 PolarHBondContact NH2-O 3.45Å
636	K	90.1	Very high	90.3	Very high	88 Å²	88	33.9 Å²	33.9	38%	0.383	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	42.9	166.7	-59.1	-56.5	-179.2	-159.8	0	113.1	D585 R631 T632 N633 P634 N663	D585-K636 IonicContact OD1-NZ 3.67Å; D585-K636 PolarHBondContact OD1-NZ 3.28Å; D585-K636 WeakPolarHBondContact OD2-CD 3.46Å; D585-K636 IonicContact OD2-NZ 3.9Å; D585-K636 PolarHBondContact OD2-NZ 3.49Å; R631-K636 HydrophobicContact CG-CB 4.22Å; R631-K636 HydrophobicContact CG-CD 4.27Å; T632-K636 CarbonylContact O-C 3.58Å; T632-K636 WeakPolarHBondContact O-CA 3.28Å; T632-K636 PolarHBondContact O-N 2.88Å; N633-K636 PolarHBondContact ND2-NZ 2.86Å; N633-K636 WeakPolarHBondContact OD1-CD 3.23Å; N633-K636 WeakPolarHBondContact OD1-CE 3.15Å; N633-K636 PolarHBondContact OD1-NZ 3.36Å; P634-K636 PolarHBondContact O-N 2.8Å; K636-N663 PolarHBondContact O-ND2 3.43Å
637	A	91.5	Very high	90	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.3	177.2	0	0	0	0	0	111.1	R631 T632 R635 Y639 R661	R631-A637 CarbonylContact C-O 3.58Å; R631-A637 WeakPolarHBondContact CA-O 3.49Å; T632-A637 PolarHBondContact N-O 2.84Å; T632-A637 PolarHBondContact O-N 3.11Å; T632-A637 WeakPolarHBondContact OG1-CB 3.46Å; R635-A637 PolarHBondContact O-N 2.91Å; R635-A637 VanDerWaalsContact O-N 3.14Å; A637-Y639 HydrophobicContact CB-CE2 3.84Å; A637-R661 VanDerWaalsContact CA-CZ 3.41Å; A637-R661 VanDerWaalsContact CA-NH1 3.28Å; A637-R661 VanDerWaalsContact CB-NH2 3.26Å
638	I	91.2	Very high	89.8	Confident	42 Å²	42	35.3 Å²	35.3	22%	0.215	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.8	-176.9	-50.8	178.1	0	0	0	110.5	L588 T629 I630 R631 R661 V662 N663	L588-I638 HydrophobicContact CD1-CD1 4.14Å; L588-I638 HydrophobicContact CD1-CG1 4.39Å; L588-I638 HydrophobicContact CD1-CG2 3.95Å; T629-I638 HydrophobicContact CG2-CG2 3.71Å; I630-I638 WeakPolarHBondContact O-CA 3.47Å; R631-I638 HydrophobicContact CG-CG1 4.32Å; I638-R661 WeakPolarHBondContact O-CD 3.5Å; I638-V662 HydrophobicContact CB-CG2 3.81Å; I638-V662 HydrophobicContact CG2-CG2 3.39Å; I638-V662 PolarHBondContact O-N 3.38Å; I638-N663 PolarHBondContact N-OD1 3.13Å
639	Y	93.1	Very high	89.4	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.6	178.6	-57.1	-83.8	0	0	0	111	F568 L582 T629 I630 T632 A637 V659 S660 R661 I681 W682	F568-Y639 HydrophobicContact CD2-CD2 4.47Å; F568-Y639 HydrophobicContact CD2-CE2 4.38Å; F568-Y639 HydrophobicContact CE2-CD1 4.16Å; F568-Y639 AromaticContact CE2-CD2 3.81Å; F568-Y639 HydrophobicContact CE2-CD2 3.81Å; F568-Y639 HydrophobicContact CE2-CE1 4.5Å; F568-Y639 HydrophobicContact CE2-CE2 4.16Å; F568-Y639 AromaticContact CE2-CG 3.79Å; F568-Y639 HydrophobicContact CE2-CG 3.79Å; F568-Y639 HydrophobicContact CZ-CG 4.3Å; L582-Y639 HydrophobicContact CD1-CE2 4.33Å; T629-Y639 CarbonylContact C-O 3.39Å; T629-Y639 VanDerWaalsContact CA-O 3.27Å; T629-Y639 WeakPolarHBondContact CA-O 3.43Å; I630-Y639 HydrophobicContact CG1-CD2 4.4Å; I630-Y639 PolarHBondContact N-O 3.47Å; I630-Y639 PolarHBondContact O-N 3Å; T632-Y639 HydrophobicContact CG2-CD2 3.96Å; T632-Y639 HydrophobicContact CG2-CE2 3.81Å; T632-Y639 WeakPolarHBondContact OG1-CE2 3.15Å; A637-Y639 HydrophobicContact CB-CE2 3.84Å; Y639-V659 HydrophobicContact CD1-CG1 4.25Å; Y639-S660 CarbonylContact C-O 3.2Å; Y639-S660 VanDerWaalsContact CA-O 3.29Å; Y639-S660 WeakPolarHBondContact CA-O 3.46Å; Y639-R661 HydrophobicContact CD1-CB 4.28Å; Y639-R661 HydrophobicContact CE1-CB 4.23Å; Y639-R661 PolarHBondContact OH-NH1 3.34Å; Y639-I681 HydrophobicContact CE1-CG2 4.09Å; Y639-I681 VanDerWaalsContact CE1-O 3.24Å; Y639-I681 WeakPolarHBondContact CE1-O 3.43Å; Y639-I681 PolarHBondContact OH-O 3Å; Y639-W682 AromaticContact CE1-CD1 3.78Å
640	E	87.3	Confident	89.2	Confident	71 Å²	71	42.2 Å²	42.2	33%	0.332	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.2	164.4	-72.9	-173.8	169.8	0	0	109.3	L628 T629 V659 S660 V662	L628-E640 WeakPolarHBondContact O-CA 3.34Å; T629-E640 HydrophobicContact CG2-CG 3.98Å; E640-V659 WeakPolarHBondContact O-CA 3.24Å; E640-S660 PolarHBondContact N-O 3.47Å; E640-S660 PolarHBondContact O-N 3.03Å; E640-V662 HydrophobicContact CB-CG1 4.09Å; E640-V662 HydrophobicContact CG-CG1 3.76Å; E640-V662 HydrophobicContact CG-CG2 4.2Å
641	A	89.6	Confident	89	Confident	3 Å²	3	43 Å²	43	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.6	178	0	0	0	0	0	110.2	L564 R627 L628 V659	L564-A641 HydrophobicContact CD1-CB 3.68Å; L564-A641 HydrophobicContact CD2-CB 3.64Å; L564-A641 HydrophobicContact CG-CB 4.34Å; R627-A641 WeakPolarHBondContact CA-O 3.42Å; L628-A641 PolarHBondContact N-O 3.12Å; L628-A641 PolarHBondContact O-N 2.95Å; A641-V659 HydrophobicContact CB-CG2 4.04Å
642	T	84	Confident	88.8	Confident	42 Å²	42	39.2 Å²	39.2	26%	0.258	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	167.1	-56.8	0	0	0	0	108.3	Y626	Y626-T642 CarbonylContact O-C 3.53Å; Y626-T642 VanDerWaalsContact O-CA 3.31Å; Y626-T642 WeakPolarHBondContact O-CA 3.36Å
643	V	89.4	Confident	88.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134	-173.6	173.9	0	0	0	0	107.9	I560 L564 S625 Y626 L652 L653 I654	I560-V643 HydrophobicContact CG2-CB 4.22Å; I560-V643 HydrophobicContact CG2-CG1 4.29Å; I560-V643 HydrophobicContact CG2-CG2 3.85Å; L564-V643 HydrophobicContact CD1-CG2 4.34Å; L564-V643 HydrophobicContact CD2-CG2 4.11Å; L564-V643 HydrophobicContact CG-CG2 4.39Å; S625-V643 CarbonylContact C-O 3.57Å; S625-V643 WeakPolarHBondContact CA-O 3.36Å; Y626-V643 PolarHBondContact N-O 3.14Å; Y626-V643 PolarHBondContact O-N 3.28Å; V643-L652 HydrophobicContact CG1-CD1 3.82Å; V643-L652 HydrophobicContact CG1-CD2 3.44Å; V643-L652 VanDerWaalsContact CG1-CD2 3.44Å; V643-L652 HydrophobicContact CG1-CG 3.42Å; V643-L652 VanDerWaalsContact CG1-CG 3.42Å; V643-L653 WeakPolarHBondContact CG1-O 3.43Å; V643-I654 HydrophobicContact CG1-CG1 4.25Å; V643-I654 HydrophobicContact CG2-CG1 4.19Å
644	L	88.5	Confident	88.5	Confident	24 Å²	24	39 Å²	39	13%	0.126	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.6	177.6	-173.9	73	0	0	0	109.2	F98 Y623 L653	F98-L644 HydrophobicContact CE1-CD2 3.67Å; F98-L644 HydrophobicContact CZ-CD2 3.96Å; Y623-L644 HydrophobicContact CD1-CD2 4.44Å; L644-L653 HydrophobicContact CB-CB 4.39Å; L644-L653 PolarHBondContact N-O 3.31Å; L644-L653 VanDerWaalsContact N-O 3.11Å; L644-L653 PolarHBondContact O-N 3.2Å
645	Y	89	Confident	88.3	Confident	38 Å²	38	37.8 Å²	37.8	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113	174.8	176.7	-137.9	0	0	0	110	P83 Y623 D624 Y626 V647 V651 L652	P83-Y645 HydrophobicContact CB-CD2 4.02Å; P83-Y645 HydrophobicContact CB-CE2 3.33Å; P83-Y645 HydrophobicContact CG-CD2 4.16Å; P83-Y645 HydrophobicContact CG-CE2 3.73Å; Y623-Y645 VanDerWaalsContact CA-O 3.28Å; Y623-Y645 WeakPolarHBondContact CA-O 3.45Å; D624-Y645 HydrophobicContact CB-CD1 4.43Å; D624-Y645 PolarHBondContact N-O 2.92Å; D624-Y645 PolarHBondContact O-N 3.14Å; Y626-Y645 HydrophobicContact CE2-CD1 4.11Å; Y626-Y645 HydrophobicContact CE2-CG 4.36Å; Y645-V647 HydrophobicContact CD1-CG2 3.74Å; Y645-V647 HydrophobicContact CE1-CB 4.21Å; Y645-V647 HydrophobicContact CE1-CG1 4.26Å; Y645-V647 HydrophobicContact CE1-CG2 3.77Å; Y645-V647 HydrophobicContact CG-CG2 4.46Å; Y645-V647 PolarHBondContact O-N 3.01Å; Y645-V651 WeakPolarHBondContact CD2-O 3.39Å; Y645-L652 HydrophobicContact CD2-CB 4.42Å
646	D	85.3	Confident	88.4	Confident	19 Å²	19	30.8 Å²	30.8	10%	0.102	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	98	167.2	-173.8	-32.9	0	0	0	108.2	Y623 T648 K649 A650 V651	Y623-D646 HydrophobicContact CD1-CB 4.08Å; Y623-D646 HydrophobicContact CE1-CB 3.86Å; D646-T648 PolarHBondContact O-N 3.47Å; D646-T648 WeakPolarHBondContact OD1-CB 3.04Å; D646-T648 PolarHBondContact OD1-N 3.32Å; D646-T648 VanDerWaalsContact OD1-N 3.11Å; D646-K649 HydrophobicContact CB-CB 4.46Å; D646-K649 PolarHBondContact O-N 2.8Å; D646-K649 PolarHBondContact OD1-N 2.84Å; D646-K649 WeakPolarHBondContact OD2-CD 3.49Å; D646-K649 IonicContact OD2-NZ 3Å; D646-A650 WeakPolarHBondContact O-CA 3.27Å; D646-A650 PolarHBondContact O-N 3.22Å; D646-V651 HydrophobicContact CB-CB 4.49Å; D646-V651 PolarHBondContact N-O 3.48Å; D646-V651 PolarHBondContact O-N 3.21Å
647	V	84.2	Confident	87.9	Confident	38 Å²	38	29.7 Å²	29.7	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31	-176.7	-172	0	0	0	0	110.6	P622 Y645	P622-V647 PolarHBondContact O-N 3.32Å; Y645-V647 HydrophobicContact CD1-CG2 3.74Å; Y645-V647 HydrophobicContact CE1-CB 4.21Å; Y645-V647 HydrophobicContact CE1-CG1 4.26Å; Y645-V647 HydrophobicContact CE1-CG2 3.77Å; Y645-V647 HydrophobicContact CG-CG2 4.46Å; Y645-V647 PolarHBondContact O-N 3.01Å
648	T	82.5	Confident	87.2	Confident	44 Å²	44	31.2 Å²	31.2	27%	0.27	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-41.3	-176.9	-56.9	0	0	0	0	111.4	E118 D646	E118-T648 HydrophobicContact CG-CG2 3.55Å; D646-T648 PolarHBondContact O-N 3.47Å; D646-T648 WeakPolarHBondContact OD1-CB 3.04Å; D646-T648 PolarHBondContact OD1-N 3.32Å; D646-T648 VanDerWaalsContact OD1-N 3.11Å
649	K	84.6	Confident	86.9	Confident	113 Å²	113	29.6 Å²	29.6	49%	0.491	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6	177.2	-63.9	-180	-173.2	162.2	0	113.5	S117 D646 V651	S117-K649 WeakPolarHBondContact OG-CE 3.32Å; D646-K649 HydrophobicContact CB-CB 4.46Å; D646-K649 PolarHBondContact O-N 2.8Å; D646-K649 PolarHBondContact OD1-N 2.84Å; D646-K649 WeakPolarHBondContact OD2-CD 3.49Å; D646-K649 IonicContact OD2-NZ 3Å; K649-V651 VanDerWaalsContact C-N 3.26Å; K649-V651 HydrophobicContact CB-CB 4.31Å; K649-V651 HydrophobicContact CB-CG2 3.9Å; K649-V651 PolarHBondContact O-N 3.09Å
650	A	87.7	Confident	86.5	Confident	44 Å²	44	31 Å²	31	36%	0.364	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	46.4	-168	0	0	0	0	0	111.7	P83 E84 D646	P83-A650 CarbonylContact C-O 3.59Å; P83-A650 WeakPolarHBondContact CA-O 3.42Å; P83-A650 HydrophobicContact CB-CB 4.46Å; P83-A650 WeakPolarHBondContact CB-O 3.24Å; E84-A650 PolarHBondContact N-O 2.8Å; D646-A650 WeakPolarHBondContact O-CA 3.27Å; D646-A650 PolarHBondContact O-N 3.22Å
651	V	90	Very high	86.3	Confident	17 Å²	17	30.1 Å²	30.1	10%	0.103	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.8	-179.2	173.6	0	0	0	0	110.7	E84 K86 Y645 D646 K649	E84-V651 HydrophobicContact CB-CG2 4.4Å; E84-V651 CarbonylContact O-C 3.55Å; E84-V651 VanDerWaalsContact O-CA 3.27Å; E84-V651 WeakPolarHBondContact O-CA 3.28Å; K86-V651 HydrophobicContact CB-CG1 4.18Å; K86-V651 HydrophobicContact CD-CG1 3.85Å; K86-V651 HydrophobicContact CG-CG1 3.82Å; Y645-V651 WeakPolarHBondContact CD2-O 3.39Å; D646-V651 HydrophobicContact CB-CB 4.49Å; D646-V651 PolarHBondContact N-O 3.48Å; D646-V651 PolarHBondContact O-N 3.21Å; K649-V651 VanDerWaalsContact C-N 3.26Å; K649-V651 HydrophobicContact CB-CB 4.31Å; K649-V651 HydrophobicContact CB-CG2 3.9Å; K649-V651 PolarHBondContact O-N 3.09Å
652	L	91.5	Very high	85.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.8	174.5	-170.8	127.9	0	0	0	110.1	P83 E84 V85 K86 I560 V643 Y645 I654	P83-L652 HydrophobicContact CB-CB 4.4Å; P83-L652 HydrophobicContact CG-CB 4.18Å; P83-L652 HydrophobicContact CG-CD1 4.43Å; E84-L652 PolarHBondContact O-N 3.39Å; V85-L652 CarbonylContact C-O 3.56Å; V85-L652 WeakPolarHBondContact CA-O 3.19Å; V85-L652 HydrophobicContact CG1-CD2 4.2Å; V85-L652 HydrophobicContact CG2-CB 4.39Å; V85-L652 HydrophobicContact CG2-CD2 4.13Å; K86-L652 PolarHBondContact N-O 2.92Å; I560-L652 HydrophobicContact CD1-CD1 3.9Å; I560-L652 HydrophobicContact CG1-CD1 3.58Å; V643-L652 HydrophobicContact CG1-CD1 3.82Å; V643-L652 HydrophobicContact CG1-CD2 3.44Å; V643-L652 VanDerWaalsContact CG1-CD2 3.44Å; V643-L652 HydrophobicContact CG1-CG 3.42Å; V643-L652 VanDerWaalsContact CG1-CG 3.42Å; Y645-L652 HydrophobicContact CD2-CB 4.42Å; L652-I654 HydrophobicContact CD2-CD1 4.02Å; L652-I654 HydrophobicContact CD2-CG1 3.75Å
653	L	90.7	Very high	85.9	Confident	43 Å²	43	33.7 Å²	33.7	23%	0.225	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.5	-178.7	-174.9	71	0	0	0	110.6	K86 V88 F98 V643 L644	K86-L653 HydrophobicContact CB-CD1 4.16Å; K86-L653 WeakPolarHBondContact O-CA 3.12Å; V88-L653 HydrophobicContact CB-CD1 4.46Å; V88-L653 HydrophobicContact CG1-CD1 3.78Å; V88-L653 HydrophobicContact CG2-CD1 3.87Å; V88-L653 HydrophobicContact CG2-CG 4.32Å; F98-L653 HydrophobicContact CE2-CD2 4.4Å; F98-L653 HydrophobicContact CZ-CD2 4.48Å; V643-L653 WeakPolarHBondContact CG1-O 3.43Å; L644-L653 HydrophobicContact CB-CB 4.39Å; L644-L653 PolarHBondContact N-O 3.31Å; L644-L653 VanDerWaalsContact N-O 3.11Å; L644-L653 PolarHBondContact O-N 3.2Å
654	I	91.8	Very high	85.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.4	171.2	-60.1	177.4	0	0	0	107.9	V85 K86 V87 V88 E563 L564 A567 V643 L652 L656	V85-I654 HydrophobicContact CG1-CD1 3.81Å; V85-I654 HydrophobicContact CG1-CG1 4.23Å; K86-I654 PolarHBondContact O-N 3.09Å; V87-I654 WeakPolarHBondContact CA-O 3.44Å; V87-I654 HydrophobicContact CG2-CB 4.38Å; V88-I654 PolarHBondContact N-O 3.48Å; E563-I654 HydrophobicContact CB-CD1 4.18Å; L564-I654 HydrophobicContact CD2-CD1 4.12Å; L564-I654 HydrophobicContact CD2-CG1 4.38Å; L564-I654 HydrophobicContact CD2-CG2 3.74Å; L564-I654 HydrophobicContact CG-CD1 4.26Å; A567-I654 HydrophobicContact CB-CD1 4.46Å; V643-I654 HydrophobicContact CG1-CG1 4.25Å; V643-I654 HydrophobicContact CG2-CG1 4.19Å; L652-I654 HydrophobicContact CD2-CD1 4.02Å; L652-I654 HydrophobicContact CD2-CG1 3.75Å; I654-L656 HydrophobicContact CG2-CD2 4.22Å
655	D	86.5	Confident	85	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.064	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.3	168.3	-172.6	-18.4	0	0	0	108.9	V88 D657 L658	V88-D655 HydrophobicContact CG2-CB 3.99Å; D655-D657 PolarHBondContact O-N 3.15Å; D655-D657 WeakPolarHBondContact OD1-CB 3.43Å; D655-D657 PolarHBondContact OD1-N 3.34Å; D655-L658 HydrophobicContact CB-CB 4.39Å; D655-L658 HydrophobicContact CB-CD1 3.97Å; D655-L658 HydrophobicContact CB-CG 4Å; D655-L658 PolarHBondContact O-N 3.28Å
656	L	87.6	Confident	84.7	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.9	-22.5	-178.2	-71.6	173.8	0	0	0	112.8	V87 V88 Q89 A567 F568 Q571 I654 L658 V659 W682	V87-L656 HydrophobicContact CG1-CD1 3.61Å; V87-L656 HydrophobicContact CG1-CD2 4.45Å; V87-L656 HydrophobicContact CG1-CG 3.76Å; V88-L656 PolarHBondContact O-N 3.24Å; Q89-L656 HydrophobicContact CB-CB 4.24Å; Q89-L656 HydrophobicContact CB-CD1 4.38Å; Q89-L656 HydrophobicContact CG-CB 4.13Å; A567-L656 HydrophobicContact CB-CD2 4.12Å; F568-L656 HydrophobicContact CD1-CD2 3.92Å; F568-L656 HydrophobicContact CE1-CD2 4.04Å; Q571-L656 HydrophobicContact CG-CD1 3.55Å; I654-L656 HydrophobicContact CG2-CD2 4.22Å; L656-L658 PolarHBondContact O-N 3.46Å; L656-V659 HydrophobicContact CD2-CG2 4.35Å; L656-V659 WeakPolarHBondContact O-CB 3.38Å; L656-V659 PolarHBondContact O-N 2.99Å; L656-W682 HydrophobicContact CD2-CZ2 4.45Å
657	D	80	Confident	84.8	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-74	-18.3	177.9	-59.2	-33.2	0	0	0	111.7	Q89 A90 D655 Y678	Q89-D657 WeakPolarHBondContact CG-OD1 3.33Å; A90-D657 VanDerWaalsContact CB-OD2 3.25Å; A90-D657 WeakPolarHBondContact CB-OD2 3.38Å; A90-D657 PolarHBondContact N-OD2 3.49Å; D655-D657 PolarHBondContact O-N 3.15Å; D655-D657 WeakPolarHBondContact OD1-CB 3.43Å; D655-D657 PolarHBondContact OD1-N 3.34Å; D657-Y678 PolarHBondContact OD1-OH 2.02Å
658	L	76.1	Confident	85	Confident	36 Å²	36	45.5 Å²	45.5	19%	0.188	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-88.8	-7	175	-60.8	-176.8	0	0	0	113.3	F98 K100 D655 L656	F98-L658 HydrophobicContact CB-CD1 4.24Å; K100-L658 HydrophobicContact CG-CD2 4.37Å; D655-L658 HydrophobicContact CB-CB 4.39Å; D655-L658 HydrophobicContact CB-CD1 3.97Å; D655-L658 HydrophobicContact CB-CG 4Å; D655-L658 PolarHBondContact O-N 3.28Å; L656-L658 PolarHBondContact O-N 3.46Å
659	V	85.4	Confident	85.4	Confident	8 Å²	8	43.4 Å²	43.4	5%	0.048	26%	0.258	C	S	.	.			trans	-78	129.4	177.8	178.8	0	0	0	0	109.6	L564 F568 Y639 E640 A641 L656	L564-V659 HydrophobicContact CD2-CG2 4.45Å; F568-V659 HydrophobicContact CE1-CB 4.37Å; F568-V659 HydrophobicContact CE1-CG1 3.73Å; F568-V659 HydrophobicContact CE1-CG2 3.93Å; F568-V659 HydrophobicContact CZ-CG1 3.59Å; F568-V659 HydrophobicContact CZ-CG2 4.36Å; Y639-V659 HydrophobicContact CD1-CG1 4.25Å; E640-V659 WeakPolarHBondContact O-CA 3.24Å; A641-V659 HydrophobicContact CB-CG2 4.04Å; L656-V659 HydrophobicContact CD2-CG2 4.35Å; L656-V659 WeakPolarHBondContact O-CB 3.38Å; L656-V659 PolarHBondContact O-N 2.99Å
660	S	83.9	Confident	85.8	Confident	31 Å²	31	42.1 Å²	42.1	22%	0.217	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133	-179.8	-57.7	0	0	0	0	110.5	K100 Y639 E640	K100-S660 PolarHBondContact NZ-OG 2.9Å; Y639-S660 CarbonylContact C-O 3.2Å; Y639-S660 VanDerWaalsContact CA-O 3.29Å; Y639-S660 WeakPolarHBondContact CA-O 3.46Å; E640-S660 PolarHBondContact N-O 3.47Å; E640-S660 PolarHBondContact O-N 3.03Å
661	R	84.9	Confident	86	Confident	53 Å²	53	41.2 Å²	41.2	20%	0.2	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.8	167.6	171.8	50.2	163.5	-120.9	0.7	108.9	A637 I638 Y639 N663 I681	A637-R661 VanDerWaalsContact CA-CZ 3.41Å; A637-R661 VanDerWaalsContact CA-NH1 3.28Å; A637-R661 VanDerWaalsContact CB-NH2 3.26Å; I638-R661 WeakPolarHBondContact O-CD 3.5Å; Y639-R661 HydrophobicContact CD1-CB 4.28Å; Y639-R661 HydrophobicContact CE1-CB 4.23Å; Y639-R661 PolarHBondContact OH-NH1 3.34Å; R661-N663 VanDerWaalsContact CD-O 3.32Å; R661-N663 WeakPolarHBondContact CD-O 3.36Å; R661-N663 WeakPolarHBondContact CD-OD1 3.1Å; R661-N663 WeakPolarHBondContact CG-O 3.11Å; R661-N663 VanDerWaalsContact CZ-OD1 3.26Å; R661-N663 PolarHBondContact NE-O 2.65Å; R661-N663 PolarHBondContact NE-OD1 3.23Å; R661-I681 HydrophobicContact CB-CG2 3.84Å
662	V	80.4	Confident	86.1	Confident	68 Å²	68	40.4 Å²	40.4	41%	0.412	24%	0.24	S	C	.	.			trans	-104	-0.5	-170.1	-62	0	0	0	0	114.8	I638 E640	I638-V662 HydrophobicContact CB-CG2 3.81Å; I638-V662 HydrophobicContact CG2-CG2 3.39Å; I638-V662 PolarHBondContact O-N 3.38Å; E640-V662 HydrophobicContact CB-CG1 4.09Å; E640-V662 HydrophobicContact CG-CG1 3.76Å; E640-V662 HydrophobicContact CG-CG2 4.2Å
663	N	83.9	Confident	85.8	Confident	51 Å²	51	44.5 Å²	44.5	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-123.5	147.6	164.9	66.7	-29.3	0	0	0	111.4	K636 I638 R661 Y665	K636-N663 PolarHBondContact O-ND2 3.43Å; I638-N663 PolarHBondContact N-OD1 3.13Å; R661-N663 VanDerWaalsContact CD-O 3.32Å; R661-N663 WeakPolarHBondContact CD-O 3.36Å; R661-N663 WeakPolarHBondContact CD-OD1 3.1Å; R661-N663 WeakPolarHBondContact CG-O 3.11Å; R661-N663 VanDerWaalsContact CZ-OD1 3.26Å; R661-N663 PolarHBondContact NE-O 2.65Å; R661-N663 PolarHBondContact NE-OD1 3.23Å; N663-Y665 PolarHBondContact O-N 2.85Å
664	A	77.9	Confident	85.5	Confident	97 Å²	97	48 Å²	48	80%	0.802	29%	0.287	S	S	*	.			trans	-56.5	132.9	-176.2	0	0	0	0	0	112
665	Y	81.1	Confident	85.1	Confident	111 Å²	111	54.5 Å²	54.5	44%	0.435	32%	0.316	S	S	.	.			trans	-82.9	-22.4	175.2	51.6	-98.6	0	0	0	112.6	N663 T667 A668 P669	N663-Y665 PolarHBondContact O-N 2.85Å; Y665-T667 PolarHBondContact O-N 2.83Å; Y665-A668 WeakPolarHBondContact O-CB 3.1Å; Y665-A668 PolarHBondContact O-N 2.95Å; Y665-A668 VanDerWaalsContact O-N 3.13Å; Y665-P669 HydrophobicContact CD2-CG 3.42Å; Y665-P669 VanDerWaalsContact CD2-CG 3.42Å; Y665-P669 HydrophobicContact CE2-CG 3.98Å; Y665-P669 HydrophobicContact CG-CG 4.1Å
666	G	83.5	Confident	84.9	Confident	55 Å²	55	56 Å²	56	57%	0.567	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-132.2	178.5	0	0	0	0	0	112.2	A668	G666-A668 VanDerWaalsContact C-N 3.3Å
667	T	87.5	Confident	84.6	Confident	94 Å²	94	59.8 Å²	59.8	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.6	177.2	55.3	0	0	0	0	113.7	Y665 H670	Y665-T667 PolarHBondContact O-N 2.83Å; T667-H670 WeakPolarHBondContact O-CB 3.26Å; T667-H670 PolarHBondContact O-N 3.18Å; T667-H670 VanDerWaalsContact O-N 3.15Å; T667-H670 PolarHBondContact O-ND1 3.15Å
668	A	88.1	Confident	84.7	Confident	11 Å²	11	60.4 Å²	60.4	9%	0.091	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-40.8	-176.5	0	0	0	0	0	114.4	Y665 G666 L684 C685	Y665-A668 WeakPolarHBondContact O-CB 3.1Å; Y665-A668 PolarHBondContact O-N 2.95Å; Y665-A668 VanDerWaalsContact O-N 3.13Å; G666-A668 VanDerWaalsContact C-N 3.3Å; A668-L684 HydrophobicContact CB-CD1 3.57Å; A668-C685 WeakPolarHBondContact O-CB 3.47Å; A668-C685 PolarHBondContact O-N 3.14Å; A668-C685 PolarHBondContact O-SG 3.32Å
669	P	91.4	Very high	85.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	17.2	179.8	36.3	-34.3	0	0	0	114.3	Y665 C671 I672 M673 A680 C683	Y665-P669 HydrophobicContact CD2-CG 3.42Å; Y665-P669 VanDerWaalsContact CD2-CG 3.42Å; Y665-P669 HydrophobicContact CE2-CG 3.98Å; Y665-P669 HydrophobicContact CG-CG 4.1Å; P669-C671 PolarHBondContact O-N 3.15Å; P669-I672 HydrophobicContact CB-CG2 4.12Å; P669-I672 WeakPolarHBondContact O-CG2 3.43Å; P669-I672 PolarHBondContact O-N 2.77Å; P669-M673 HydrophobicContact CB-SD 4.41Å; P669-M673 HydrophobicContact CG-SD 4.05Å; P669-M673 WeakPolarHBondContact O-CG 3.43Å; P669-M673 PolarHBondContact O-N 3.24Å; P669-A680 HydrophobicContact CB-CB 3.83Å; P669-A680 HydrophobicContact CG-CB 3.87Å; P669-C683 HydrophobicContact CB-CB 4.11Å; P669-C683 WeakPolarHBondContact CB-O 3.39Å
670	H	92	Very high	85.3	Confident	86 Å²	86	58.6 Å²	58.6	40%	0.398	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.5	-170.8	74.2	-77.9	0	0	0	114.5	T667 I672 M673 D687	T667-H670 WeakPolarHBondContact O-CB 3.26Å; T667-H670 PolarHBondContact O-N 3.18Å; T667-H670 VanDerWaalsContact O-N 3.15Å; T667-H670 PolarHBondContact O-ND1 3.15Å; H670-I672 PolarHBondContact O-N 2.03Å; H670-M673 PolarHBondContact O-N 3.31Å; H670-D687 VanDerWaalsContact CE1-CG 3.47Å; H670-D687 IonicContact CE1-OD1 3.79Å; H670-D687 PolarHBondContact CE1-OD1 2.99Å; H670-D687 IonicContact CE1-OD2 2.83Å; H670-D687 PolarHBondContact CE1-OD2 2.87Å; H670-D687 IonicContact NE2-OD1 3.84Å; H670-D687 IonicContact NE2-OD2 3.78Å; H670-D687 PolarHBondContact NE2-OD2 3.26Å
671	C	92.6	Very high	85.5	Confident	25 Å²	25	59.4 Å²	59.4	17%	0.169	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.1	177.3	63.7	0	0	0	0	114.1	L578 P669 C685	L578-C671 HydrophobicContact CB-CB 4.42Å; P669-C671 PolarHBondContact O-N 3.15Å; C671-C685 VanDerWaalsContact CA-SG 3.6Å; C671-C685 HydrophobicContact CB-CB 3.81Å; C671-C685 WeakPolarHBondContact CB-SG 3.29Å; C671-C685 PolarHBondContact N-SG 2.93Å; C671-C685 WeakPolarHBondContact SG-CB 3.43Å; C671-C685 CovalentContact SG-SG 2.02Å; C671-C685 PolarHBondContact SG-SG 3.22Å
672	I	90.6	Very high	85.8	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-13.3	179.9	-149.9	67.4	0	0	0	114.4	Q575 L578 P669 H670 S674 K675 D676 L679 C683	Q575-I672 HydrophobicContact CB-CD1 3.76Å; Q575-I672 VanDerWaalsContact CD-CD1 3.4Å; Q575-I672 HydrophobicContact CG-CD1 3.31Å; Q575-I672 HydrophobicContact CG-CG1 4.22Å; L578-I672 HydrophobicContact CD1-CD1 3.9Å; P669-I672 HydrophobicContact CB-CG2 4.12Å; P669-I672 WeakPolarHBondContact O-CG2 3.43Å; P669-I672 PolarHBondContact O-N 2.77Å; H670-I672 PolarHBondContact O-N 2.03Å; I672-S674 PolarHBondContact O-N 3.42Å; I672-S674 VanDerWaalsContact O-N 3.1Å; I672-K675 HydrophobicContact CD1-CB 3.81Å; I672-K675 HydrophobicContact CD1-CD 4.3Å; I672-K675 HydrophobicContact CG1-CB 4.38Å; I672-K675 PolarHBondContact O-N 3.07Å; I672-D676 HydrophobicContact CD1-CB 4.41Å; I672-D676 HydrophobicContact CG1-CB 3.98Å; I672-D676 WeakPolarHBondContact CG1-O 3.45Å; I672-D676 CarbonylContact O-C 3.22Å; I672-D676 PolarHBondContact O-N 3.33Å; I672-L679 HydrophobicContact CG1-CB 4.29Å; I672-L679 HydrophobicContact CG1-CD1 4.49Å; I672-L679 HydrophobicContact CG2-CB 4.43Å; I672-C683 HydrophobicContact CG2-CB 3.91Å
673	M	86.9	Confident	86.4	Confident	85 Å²	85	54 Å²	54	42%	0.419	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.8	-174.4	-66.1	-57.1	-63.4	0	0	114.1	P669 H670 A680	P669-M673 HydrophobicContact CB-SD 4.41Å; P669-M673 HydrophobicContact CG-SD 4.05Å; P669-M673 WeakPolarHBondContact O-CG 3.43Å; P669-M673 PolarHBondContact O-N 3.24Å; H670-M673 PolarHBondContact O-N 3.31Å; M673-A680 HydrophobicContact SD-CB 3.66Å
674	S	83.7	Confident	86.8	Confident	116 Å²	116	51.9 Å²	51.9	81%	0.811	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.2	177	59.2	0	0	0	0	114.5	I672	I672-S674 PolarHBondContact O-N 3.42Å; I672-S674 VanDerWaalsContact O-N 3.1Å
675	K	83.4	Confident	87.6	Confident	138 Å²	138	47.3 Å²	47.3	60%	0.6	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-50.1	-174.5	-65	-170.5	175.9	-161.7	0	112.5	L578 I672	L578-K675 HydrophobicContact CD1-CD 3.78Å; I672-K675 HydrophobicContact CD1-CB 3.81Å; I672-K675 HydrophobicContact CD1-CD 4.3Å; I672-K675 HydrophobicContact CG1-CB 4.38Å; I672-K675 PolarHBondContact O-N 3.07Å
676	D	81.8	Confident	88.2	Confident	44 Å²	44	47.1 Å²	47.1	24%	0.235	26%	0.263	C	S	.	.			trans	-155.3	84.7	-178.7	-170.4	-15.3	0	0	0	109.2	I672 Y678 L679	I672-D676 HydrophobicContact CD1-CB 4.41Å; I672-D676 HydrophobicContact CG1-CB 3.98Å; I672-D676 WeakPolarHBondContact CG1-O 3.45Å; I672-D676 CarbonylContact O-C 3.22Å; I672-D676 PolarHBondContact O-N 3.33Å; D676-Y678 PolarHBondContact O-N 3.35Å; D676-Y678 VanDerWaalsContact O-N 3.14Å; D676-Y678 VanDerWaalsContact OD1-CB 3.28Å; D676-Y678 WeakPolarHBondContact OD1-CB 3.04Å; D676-Y678 PolarHBondContact OD1-N 2.83Å; D676-Y678 VanDerWaalsContact OD1-N 3.15Å; D676-L679 HydrophobicContact CB-CD1 4.11Å; D676-L679 HydrophobicContact CB-CG 4.34Å; D676-L679 PolarHBondContact O-N 3.09Å; D676-L679 WeakPolarHBondContact OD2-CD1 3.42Å
677	S	81.9	Confident	88.6	Confident	80 Å²	80	49.1 Å²	49.1	56%	0.559	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.8	-18.6	179.7	65.2	0	0	0	0	113.5	A680	S677-A680 WeakPolarHBondContact O-CB 3.08Å; S677-A680 PolarHBondContact O-N 3.1Å
678	Y	82	Confident	88.6	Confident	78 Å²	78	46.6 Å²	46.6	31%	0.306	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-69.2	-36.8	177.6	-176.9	-95	0	0	0	111.4	Q89 D657 D676 A680 W682	Q89-Y678 PolarHBondContact NE2-OH 3.15Å; D657-Y678 PolarHBondContact OD1-OH 2.02Å; D676-Y678 PolarHBondContact O-N 3.35Å; D676-Y678 VanDerWaalsContact O-N 3.14Å; D676-Y678 VanDerWaalsContact OD1-CB 3.28Å; D676-Y678 WeakPolarHBondContact OD1-CB 3.04Å; D676-Y678 PolarHBondContact OD1-N 2.83Å; D676-Y678 VanDerWaalsContact OD1-N 3.15Å; Y678-A680 PolarHBondContact O-N 3.02Å; Y678-A680 VanDerWaalsContact O-N 3.14Å; Y678-W682 HydrophobicContact CD1-CH2 4.16Å; Y678-W682 AromaticContact CD1-CZ3 3.72Å; Y678-W682 HydrophobicContact CD1-CZ3 3.72Å; Y678-W682 AromaticContact CE1-CH2 3.33Å; Y678-W682 HydrophobicContact CE1-CH2 3.33Å; Y678-W682 AromaticContact CE1-CZ3 3.34Å; Y678-W682 HydrophobicContact CE1-CZ3 3.34Å; Y678-W682 AromaticContact CZ-CH2 3.74Å
679	L	87.1	Confident	88.4	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.4	-9.4	175.5	-68.4	176.4	0	0	0	113.6	Q571 Q575 I672 D676 I681 W682 C683	Q571-L679 HydrophobicContact CB-CD2 3.84Å; Q575-L679 HydrophobicContact CB-CD1 4.17Å; Q575-L679 HydrophobicContact CG-CD1 3.52Å; I672-L679 HydrophobicContact CG1-CB 4.29Å; I672-L679 HydrophobicContact CG1-CD1 4.49Å; I672-L679 HydrophobicContact CG2-CB 4.43Å; D676-L679 HydrophobicContact CB-CD1 4.11Å; D676-L679 HydrophobicContact CB-CG 4.34Å; D676-L679 PolarHBondContact O-N 3.09Å; D676-L679 WeakPolarHBondContact OD2-CD1 3.42Å; L679-I681 PolarHBondContact O-N 3.07Å; L679-I681 VanDerWaalsContact O-N 3.12Å; L679-W682 HydrophobicContact CD2-CE3 3.96Å; L679-W682 HydrophobicContact CD2-CZ3 4.14Å; L679-W682 PolarHBondContact O-N 3.19Å; L679-C683 VanDerWaalsContact O-CB 3.26Å; L679-C683 WeakPolarHBondContact O-CB 3.46Å; L679-C683 PolarHBondContact O-N 3.11Å
680	A	86.8	Confident	88.2	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.041	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59.7	-25	-179.5	0	0	0	0	0	113.6	P669 M673 S677 Y678 W682	P669-A680 HydrophobicContact CB-CB 3.83Å; P669-A680 HydrophobicContact CG-CB 3.87Å; M673-A680 HydrophobicContact SD-CB 3.66Å; S677-A680 WeakPolarHBondContact O-CB 3.08Å; S677-A680 PolarHBondContact O-N 3.1Å; Y678-A680 PolarHBondContact O-N 3.02Å; Y678-A680 VanDerWaalsContact O-N 3.14Å; A680-W682 VanDerWaalsContact C-N 3.25Å; A680-W682 PolarHBondContact O-N 2.93Å
681	I	88.3	Confident	88	Confident	48 Å²	48	53.2 Å²	53.2	25%	0.246	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.2	-36.9	175.1	-63.7	177	0	0	0	111	Y639 R661 L679	Y639-I681 HydrophobicContact CE1-CG2 4.09Å; Y639-I681 VanDerWaalsContact CE1-O 3.24Å; Y639-I681 WeakPolarHBondContact CE1-O 3.43Å; Y639-I681 PolarHBondContact OH-O 3Å; R661-I681 HydrophobicContact CB-CG2 3.84Å; L679-I681 PolarHBondContact O-N 3.07Å; L679-I681 VanDerWaalsContact O-N 3.12Å
682	W	91.2	Very high	87.8	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.011	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-28.7	-175.3	-53	-74.1	0	0	0	113.9	F568 Q571 L572 L582 Y639 L656 Y678 L679 A680 L684	F568-W682 HydrophobicContact CB-CG 4.16Å; F568-W682 AromaticContact CD1-CD1 3.7Å; F568-W682 AromaticContact CD1-NE1 3.25Å; F568-W682 VanDerWaalsContact CD1-NE1 3.25Å; F568-W682 AromaticContact CD2-CD1 3.64Å; F568-W682 AromaticContact CD2-NE1 3.95Å; F568-W682 AromaticContact CE1-NE1 3.61Å; F568-W682 AromaticContact CG-CD1 3.36Å; F568-W682 HydrophobicContact CG-CG 4.32Å; F568-W682 AromaticContact CG-NE1 3.47Å; Q571-W682 HydrophobicContact CB-CE3 4.44Å; L572-W682 HydrophobicContact CD1-CB 4.15Å; L572-W682 HydrophobicContact CD2-CB 3.9Å; L572-W682 HydrophobicContact CG-CB 4.1Å; L582-W682 HydrophobicContact CD1-CB 4.16Å; Y639-W682 AromaticContact CE1-CD1 3.78Å; L656-W682 HydrophobicContact CD2-CZ2 4.45Å; Y678-W682 HydrophobicContact CD1-CH2 4.16Å; Y678-W682 AromaticContact CD1-CZ3 3.72Å; Y678-W682 HydrophobicContact CD1-CZ3 3.72Å; Y678-W682 AromaticContact CE1-CH2 3.33Å; Y678-W682 HydrophobicContact CE1-CH2 3.33Å; Y678-W682 AromaticContact CE1-CZ3 3.34Å; Y678-W682 HydrophobicContact CE1-CZ3 3.34Å; Y678-W682 AromaticContact CZ-CH2 3.74Å; L679-W682 HydrophobicContact CD2-CE3 3.96Å; L679-W682 HydrophobicContact CD2-CZ3 4.14Å; L679-W682 PolarHBondContact O-N 3.19Å; A680-W682 VanDerWaalsContact C-N 3.25Å; A680-W682 PolarHBondContact O-N 2.93Å; W682-L684 PolarHBondContact O-N 2.85Å
683	C	92.9	Very high	87.6	Confident	5 Å²	5	58 Å²	58	3%	0.034	30%	0.301	C	S	.	.			trans	-70.6	129.6	-170.3	-176.6	0	0	0	0	112.7	L572 C579 P669 I672 L679	L572-C683 HydrophobicContact CD2-CB 4.09Å; C579-C683 HydrophobicContact CB-CB 3.91Å; C579-C683 WeakPolarHBondContact CB-SG 2.99Å; C579-C683 WeakPolarHBondContact SG-CB 3.46Å; C579-C683 CovalentContact SG-SG 2.03Å; C579-C683 PolarHBondContact SG-SG 2.82Å; P669-C683 HydrophobicContact CB-CB 4.11Å; P669-C683 WeakPolarHBondContact CB-O 3.39Å; I672-C683 HydrophobicContact CG2-CB 3.91Å; L679-C683 VanDerWaalsContact O-CB 3.26Å; L679-C683 WeakPolarHBondContact O-CB 3.46Å; L679-C683 PolarHBondContact O-N 3.11Å
684	L	92.8	Very high	87.7	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.037	29%	0.294	C	S	.	.			trans	-120.1	115.7	162.2	172.9	65.7	0	0	0	108.1	C579 S580 P634 R635 A668 W682 Q688 L689	C579-L684 CarbonylContact C-O 3.59Å; C579-L684 WeakPolarHBondContact CA-O 3.02Å; S580-L684 WeakPolarHBondContact CB-O 3.45Å; S580-L684 PolarHBondContact N-O 2.88Å; P634-L684 HydrophobicContact CB-CD2 3.46Å; P634-L684 VanDerWaalsContact CB-CD2 3.46Å; P634-L684 HydrophobicContact CG-CD2 3.6Å; R635-L684 HydrophobicContact CB-CD2 4.5Å; R635-L684 HydrophobicContact CG-CD1 4.41Å; R635-L684 HydrophobicContact CG-CD2 4.19Å; A668-L684 HydrophobicContact CB-CD1 3.57Å; W682-L684 PolarHBondContact O-N 2.85Å; L684-Q688 HydrophobicContact CD1-CB 3.73Å; L684-L689 HydrophobicContact CD2-CD2 3.58Å; L684-L689 HydrophobicContact CG-CD2 4.21Å
685	C	93.7	Very high	87.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-65.6	142	-178.4	-56.3	0	0	0	0	111.6	L578 A668 C671 D687 Q688	L578-C685 VanDerWaalsContact O-CA 3.29Å; L578-C685 WeakPolarHBondContact O-CA 3.4Å; A668-C685 WeakPolarHBondContact O-CB 3.47Å; A668-C685 PolarHBondContact O-N 3.14Å; A668-C685 PolarHBondContact O-SG 3.32Å; C671-C685 VanDerWaalsContact CA-SG 3.6Å; C671-C685 HydrophobicContact CB-CB 3.81Å; C671-C685 WeakPolarHBondContact CB-SG 3.29Å; C671-C685 PolarHBondContact N-SG 2.93Å; C671-C685 WeakPolarHBondContact SG-CB 3.43Å; C671-C685 CovalentContact SG-SG 2.02Å; C671-C685 PolarHBondContact SG-SG 3.22Å; C685-D687 WeakPolarHBondContact CB-OD1 3.05Å; C685-D687 PolarHBondContact O-N 3.31Å; C685-Q688 HydrophobicContact CB-CG 4.25Å; C685-Q688 WeakPolarHBondContact O-CB 3.31Å; C685-Q688 PolarHBondContact O-N 2.89Å
686	Y	94.3	Very high	88.2	Confident	107 Å²	107	46.2 Å²	46.2	42%	0.42	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58.4	-32	-176.4	-80.8	-77.9	0	0	0	114.2	Q576 L578 C579 Q688 L689	Q576-Y686 VanDerWaalsContact O-CE2 3.31Å; Q576-Y686 WeakPolarHBondContact O-CE2 3.47Å; Q576-Y686 PolarHBondContact O-OH 2.94Å; L578-Y686 VanDerWaalsContact O-CD2 3.28Å; L578-Y686 WeakPolarHBondContact O-CD2 3.49Å; L578-Y686 PolarHBondContact O-N 3.14Å; L578-Y686 VanDerWaalsContact O-N 3.14Å; C579-Y686 WeakPolarHBondContact O-CE2 3.47Å; Y686-Q688 PolarHBondContact O-N 3.02Å; Y686-L689 HydrophobicContact CD1-CD1 3.52Å; Y686-L689 HydrophobicContact CE1-CD1 4.19Å; Y686-L689 HydrophobicContact CG-CD1 4.36Å; Y686-L689 WeakPolarHBondContact O-CB 3.28Å; Y686-L689 PolarHBondContact O-N 3.39Å
687	D	91.5	Very high	88.7	Confident	98 Å²	98	46.4 Å²	46.4	52%	0.524	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-73.6	-6.7	176.5	69.6	-54.9	0	0	0	113.4	H670 C685	H670-D687 VanDerWaalsContact CE1-CG 3.47Å; H670-D687 IonicContact CE1-OD1 3.79Å; H670-D687 PolarHBondContact CE1-OD1 2.99Å; H670-D687 IonicContact CE1-OD2 2.83Å; H670-D687 PolarHBondContact CE1-OD2 2.87Å; H670-D687 IonicContact NE2-OD1 3.84Å; H670-D687 IonicContact NE2-OD2 3.78Å; H670-D687 PolarHBondContact NE2-OD2 3.26Å; C685-D687 WeakPolarHBondContact CB-OD1 3.05Å; C685-D687 PolarHBondContact O-N 3.31Å
688	Q	87.3	Confident	89.3	Confident	41 Å²	41	43.6 Å²	43.6	19%	0.192	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-102.7	0	174.8	-60	-64.1	-54.1	0	0	113.1	R635 L684 C685 Y686	R635-Q688 VanDerWaalsContact CZ-O 3.3Å; R635-Q688 PolarHBondContact NE-O 2.89Å; R635-Q688 PolarHBondContact NH2-O 3.45Å; L684-Q688 HydrophobicContact CD1-CB 3.73Å; C685-Q688 HydrophobicContact CB-CG 4.25Å; C685-Q688 WeakPolarHBondContact O-CB 3.31Å; C685-Q688 PolarHBondContact O-N 2.89Å; Y686-Q688 PolarHBondContact O-N 3.02Å
689	L	83.6	Confident	90	Very high	130 Å²	130	40.5 Å²	40.5	68%	0.681	20%	0.199	S	C	*	.			trans	-73.1	0	169.7	-63.1	174.7	0	0	0	110.7	P634 L684 Y686	P634-L689 HydrophobicContact CB-CD2 3.74Å; P634-L689 HydrophobicContact CG-CD2 3.37Å; L684-L689 HydrophobicContact CD2-CD2 3.58Å; L684-L689 HydrophobicContact CG-CD2 4.21Å; Y686-L689 HydrophobicContact CD1-CD1 3.52Å; Y686-L689 HydrophobicContact CE1-CD1 4.19Å; Y686-L689 HydrophobicContact CG-CD1 4.36Å; Y686-L689 WeakPolarHBondContact O-CB 3.28Å; Y686-L689 PolarHBondContact O-N 3.39Å

Retrieved 689 of 689 residues in 794.5 ms (Link to these results)

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