A0A5K4FAT6_SCHMA Loading...

Amiloride-sensitive sodium channel

AlphaFold DB , UniProt , Accession A0A5K4FAT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 642 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	33	Very low	248 Å²	248	173.4 Å²	173.4	100%	1.222	84%	0.843	S	S	*	*				0	102.1	0	-82.9	178.4	157.9	0	0	108.7
2	H	38.5	Very low	32.9	Very low	196 Å²	196	176 Å²	176	91%	0.907	85%	0.847	S	S	*	*			trans	-84	135	-179.7	-100.9	-80.9	0	0	0	111.2
3	R	32.8	Very low	32.4	Very low	198 Å²	198	179.8 Å²	179.8	75%	0.747	85%	0.85	S	S	*	*			trans	-28	140.4	166.6	-85.6	168.3	164.8	169.8	-1.3	116.3
4	N	36.7	Very low	32.3	Very low	175 Å²	175	182 Å²	182	94%	0.936	85%	0.854	S	S	*	*			trans	-137.1	127.7	131.6	-112.8	-14.7	0	0	0	110.9
5	K	38.3	Very low	32	Very low	162 Å²	162	181.4 Å²	181.4	70%	0.704	85%	0.851	S	S	*	*			trans	-90.7	140.2	-175.2	-80.1	178.1	168.9	-176.4	0	110.4
6	N	29.9	Very low	32	Very low	156 Å²	156	177.6 Å²	177.6	83%	0.834	85%	0.85	S	S	*	*			trans	-64.9	145.5	156.4	-70.5	-30.7	0	0	0	110.8
7	L	32.1	Very low	31.9	Very low	158 Å²	158	175.4 Å²	175.4	83%	0.827	85%	0.845	S	S	*	*			trans	-164.3	132.7	136.2	-138.5	86	0	0	0	112.3
8	E	28.6	Very low	32	Very low	176 Å²	176	177.4 Å²	177.4	82%	0.822	85%	0.849	S	S	*	*			trans	-57.6	156.8	168.7	-64.3	158.4	114.7	0	0	113.8
9	K	32.5	Very low	31.8	Very low	191 Å²	191	173.9 Å²	173.9	83%	0.83	84%	0.844	S	S	*	*			trans	-170.4	114.3	131.8	-105.4	165.5	-173.7	-178.5	0	114.6
10	S	28.5	Very low	32.2	Very low	92 Å²	92	173.7 Å²	173.7	64%	0.643	84%	0.841	S	S	*	*			trans	-1.6	134	144.6	61.8	0	0	0	0	122.1
11	I	27.5	Very low	32.6	Very low	155 Å²	155	171.6 Å²	171.6	80%	0.795	83%	0.834	S	S	*	*				45.7	119.5	122.9	-52.6	166.7	0	0	0	118.2
12	K	30.9	Very low	32.3	Very low	205 Å²	205	166.1 Å²	166.1	89%	0.891	81%	0.809	S	S	*	*				-169.5	116.3	128.8	-105.8	167.5	-172.6	-178.8	0	112.8
13	Y	26.6	Very low	32.3	Very low	226 Å²	226	164.9 Å²	164.9	89%	0.886	81%	0.809	S	S	*	*			trans	-64.7	140.7	160.7	-110.5	-103	0	0	0	110.1
14	K	31.1	Very low	32.6	Very low	210 Å²	210	162.2 Å²	162.2	91%	0.913	81%	0.808	S	S	*	*			trans	-142.4	104.3	162.7	-137.1	178.5	-174.5	-176.5	0	109.3
15	Q	28.2	Very low	33	Very low	173 Å²	173	165.1 Å²	165.1	81%	0.808	81%	0.806	S	S	*	*			trans	-68.2	143.7	163.8	-85.4	172.4	-27.9	0	0	109.8
16	S	31.7	Very low	33.8	Very low	120 Å²	120	162.7 Å²	162.7	84%	0.839	81%	0.806	S	S	*	*			trans	-147.2	108.3	158.1	-178.9	0	0	0	0	108.5
17	N	30.9	Very low	34.6	Very low	141 Å²	141	161.5 Å²	161.5	75%	0.754	81%	0.807	S	S	*	*			trans	-72.9	144	170.8	-77.9	-26.3	0	0	0	110.4
18	K	32.7	Very low	35.6	Very low	211 Å²	211	158.5 Å²	158.5	92%	0.917	81%	0.805	S	S	*	*			trans	-142.8	106.4	152.5	-113.1	178.6	-179.3	-179.3	0	109.4
19	C	28.8	Very low	37.2	Very low	111 Å²	111	155.5 Å²	155.5	75%	0.75	80%	0.801	S	S	*	*			trans	-81.2	149.2	165.3	-63.8	0	0	0	0	109.8
20	H	40	Very low	38.2	Very low	170 Å²	170	152.4 Å²	152.4	79%	0.787	80%	0.801	S	S	*	*			trans	-157.8	127.7	140.4	-105.3	-55.6	0	0	0	112.6
21	N	40.1	Very low	39.7	Very low	130 Å²	130	154.5 Å²	154.5	70%	0.695	81%	0.809	S	S	*	*			trans	76.6	87.3	140.3	-61.3	-8.1	0	0	0	121.7
22	L	32.8	Very low	41.6	Very low	132 Å²	132	152.2 Å²	152.2	69%	0.691	81%	0.805	S	S	*	*				12.1	133.8	119	-77.4	149.2	0	0	0	119.8	I24	L22-I24 HydrophobicContact CD2-CD1 3.7Å; L22-I24 HydrophobicContact CD2-CG1 3.99Å
23	N	38.1	Very low	43.2	Very low	170 Å²	170	148.1 Å²	148.1	91%	0.909	80%	0.799	S	S	*	*				-153.4	119.5	122.8	-104.3	-22.3	0	0	0	111.1
24	I	38	Very low	45	Very low	142 Å²	142	143.2 Å²	143.2	73%	0.728	79%	0.794	S	S	*	*			trans	-99.8	134.7	177.4	-64.6	167.8	0	0	0	107.8	L22	L22-I24 HydrophobicContact CD2-CD1 3.7Å; L22-I24 HydrophobicContact CD2-CG1 3.99Å
25	R	45.3	Very low	46.4	Very low	236 Å²	236	137.3 Å²	137.3	89%	0.891	79%	0.785	S	S	*	*			trans	-115	147.3	160	-112.1	-170.6	-179	-170.3	0.7	110
26	P	54.8	Low	47.9	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	78%	0.783	S	S	*	*			trans	-84.2	166.8	-160.5	35.1	-35	0	0	0	113.9
27	P	47.7	Very low	49.2	Very low	132 Å²	132	134.3 Å²	134.3	86%	0.857	78%	0.778	S	S	*	*			trans	-86.8	152.6	-168.3	35.2	-32.7	0	0	0	112.9
28	A	52.7	Low	50.8	Low	95 Å²	95	133 Å²	133	79%	0.785	78%	0.776	S	S	*	*			trans	-111.1	155.1	169.5	0	0	0	0	0	110.1
29	P	62.1	Low	51.7	Low	112 Å²	112	128.1 Å²	128.1	73%	0.727	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-81.6	169.3	-148.9	34.1	-35.7	0	0	0	114.6
30	P	53.9	Low	52.5	Low	127 Å²	127	127.7 Å²	127.7	83%	0.825	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-80.7	132	-161.8	32.2	-31.7	0	0	0	112.4
31	V	59.4	Low	52.5	Low	135 Å²	135	126.1 Å²	126.1	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-91	134.3	167.4	178.7	0	0	0	0	108
32	P	68.4	Low	52.3	Low	108 Å²	108	127.7 Å²	127.7	70%	0.701	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.4	152	-176.2	24.1	-33.1	0	0	0	112.5
33	P	63.6	Low	52.5	Low	119 Å²	119	128.3 Å²	128.3	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.8	135.7	-170	27.1	-33.6	0	0	0	111.3
34	P	64.2	Low	52.3	Low	122 Å²	122	128.9 Å²	128.9	79%	0.792	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-67.8	146.1	165.5	28.8	-30	0	0	0	109.4
35	A	60.9	Low	52.2	Low	86 Å²	86	130 Å²	130	71%	0.711	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-47.9	147.6	-178.7	0	0	0	0	0	112.9
36	P	60	Low	51.9	Low	119 Å²	119	124.2 Å²	124.2	77%	0.773	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-57.4	131.9	-179.3	23.7	-32.4	0	0	0	109.7
37	P	59.2	Low	51	Low	112 Å²	112	123.7 Å²	123.7	73%	0.727	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61	147.9	170.8	26.4	-31.4	0	0	0	108.8
38	P	63.2	Low	50.5	Low	112 Å²	112	120.1 Å²	120.1	73%	0.727	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-55.3	150.4	175.2	24.4	-32.5	0	0	0	109.8
39	P	52.6	Low	50	Low	110 Å²	110	121.2 Å²	121.2	71%	0.714	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-52	140	-178.8	22.8	-32.9	0	0	0	109.4	I41	P39-I41 PolarHBondContact O-N 3.14Å
40	P	45.7	Very low	49.5	Very low	101 Å²	101	120.9 Å²	120.9	66%	0.656	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-58	118.6	178.8	24.9	-30.7	0	0	0	106.9	H42	P40-H42 VanDerWaalsContact C-N 3.28Å; P40-H42 PolarHBondContact O-N 2.89Å
41	I	40.1	Very low	49.9	Very low	137 Å²	137	117.4 Å²	117.4	70%	0.703	70%	0.7	S	S	*	*			trans	-55.9	103.6	165.4	-64.8	171	0	0	0	104.4	P39 H43	P39-I41 PolarHBondContact O-N 3.14Å; I41-H43 PolarHBondContact O-N 3.27Å
42	H	35.9	Very low	50.2	Low	163 Å²	163	117.4 Å²	117.4	76%	0.755	70%	0.695	S	S	*	*			trans	-63.2	89.1	168.7	-82.7	-72.7	0	0	0	106.2	P40 H44	P40-H42 VanDerWaalsContact C-N 3.28Å; P40-H42 PolarHBondContact O-N 2.89Å; H42-H44 VanDerWaalsContact C-N 3.26Å; H42-H44 PolarHBondContact O-N 2.71Å
43	H	37	Very low	50.3	Low	145 Å²	145	119.7 Å²	119.7	67%	0.671	69%	0.693	S	S	*	*			trans	-60.4	102.3	159.7	-79.2	-64.4	0	0	0	106	I41 H45	I41-H43 PolarHBondContact O-N 3.27Å; H43-H45 PolarHBondContact O-N 3.49Å
44	H	32.6	Very low	50.7	Low	183 Å²	183	118.8 Å²	118.8	85%	0.847	68%	0.675	S	S	*	*			trans	-51.9	87.7	161.3	-85.6	-63.3	0	0	0	107.8	H42 P46	H42-H44 VanDerWaalsContact C-N 3.26Å; H42-H44 PolarHBondContact O-N 2.71Å; H44-P46 WeakPolarHBondContact O-CD 3.32Å
45	H	37.7	Very low	51	Low	164 Å²	164	113.4 Å²	113.4	76%	0.759	64%	0.641	S	S	*	*			trans	-68.4	120.3	159.9	-86.5	-70.1	0	0	0	106.2	H43 C47	H43-H45 PolarHBondContact O-N 3.49Å; H45-C47 PolarHBondContact O-N 3.36Å
46	P	38	Very low	51.8	Low	115 Å²	115	114 Å²	114	75%	0.747	63%	0.628	S	S	*	*			trans	-57	127.9	174.4	0.1	8.4	0	0	0	106.8	H44 G48	H44-P46 WeakPolarHBondContact O-CD 3.32Å; P46-G48 VanDerWaalsContact C-N 3.34Å; P46-G48 PolarHBondContact O-N 3Å
47	C	36.9	Very low	52.6	Low	100 Å²	100	111.2 Å²	111.2	68%	0.676	61%	0.607	S	S	*	*			trans	-52.1	99.6	173.8	-130.5	0	0	0	0	107.7	H45 Y49	H45-C47 PolarHBondContact O-N 3.36Å; C47-Y49 HydrophobicContact CB-CD2 4.07Å; C47-Y49 PolarHBondContact O-N 2.69Å; C47-Y49 WeakPolarHBondContact SG-CD2 3.46Å; C47-Y49 VanDerWaalsContact SG-CE2 3.59Å
48	G	36.9	Very low	53.4	Low	58 Å²	58	108.9 Å²	108.9	60%	0.598	59%	0.587	S	S	*	*			trans	-72.7	29.3	-178.2	0	0	0	0	0	113.4	P46 C50	P46-G48 VanDerWaalsContact C-N 3.34Å; P46-G48 PolarHBondContact O-N 3Å; G48-C50 PolarHBondContact O-N 3.28Å
49	Y	42.4	Very low	54.2	Low	118 Å²	118	105.1 Å²	105.1	46%	0.463	56%	0.56	S	S	.	*			trans	-78.2	36.4	-179.2	-80.1	-94.2	0	0	0	111.8	C47 E608	C47-Y49 HydrophobicContact CB-CD2 4.07Å; C47-Y49 PolarHBondContact O-N 2.69Å; C47-Y49 WeakPolarHBondContact SG-CD2 3.46Å; C47-Y49 VanDerWaalsContact SG-CE2 3.59Å; Y49-E608 PolarHBondContact OH-OE1 2.94Å; Y49-E608 VanDerWaalsContact OH-OE1 3.13Å
50	C	51.3	Low	55.5	Low	104 Å²	104	99.9 Å²	99.9	70%	0.703	53%	0.526	S	S	*	.			trans	-147.1	54.6	-174.2	-73.7	0	0	0	0	112.7	G48	G48-C50 PolarHBondContact O-N 3.28Å
51	S	61.2	Low	57.1	Low	55 Å²	55	98 Å²	98	39%	0.385	51%	0.51	S	S	.	.			trans	-147.9	144.1	161.5	78.3	0	0	0	0	112.6	K53 Y54 A55	S51-K53 PolarHBondContact O-N 3.05Å; S51-Y54 PolarHBondContact O-N 3.39Å; S51-Y54 PolarHBondContact OG-N 3.45Å; S51-A55 PolarHBondContact O-N 2.88Å
52	L	66.3	Low	59	Low	135 Å²	135	94.1 Å²	94.1	71%	0.707	50%	0.495	S	S	*	.	H	α-helix	trans	-47.5	-33.3	171.5	-165.1	81.2	0	0	0	112.1	F56 L587	L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 3.4Å; L52-L587 HydrophobicContact CD1-CD2 3.71Å
53	K	71.4	Confident	61.2	Low	155 Å²	155	87.2 Å²	87.2	67%	0.674	46%	0.464	S	S	*	.	H	α-helix	trans	-66.6	-34.8	178.9	-167.6	178.3	-177.9	179.3	0	113	S51 N57	S51-K53 PolarHBondContact O-N 3.05Å; K53-N57 VanDerWaalsContact O-CB 3.29Å; K53-N57 WeakPolarHBondContact O-CB 3.14Å; K53-N57 VanDerWaalsContact O-CG 3.32Å; K53-N57 PolarHBondContact O-N 3.12Å; K53-N57 PolarHBondContact O-ND2 2.64Å
54	Y	70.5	Confident	63.4	Low	100 Å²	100	82.2 Å²	82.2	39%	0.392	45%	0.445	S	S	.	.	H	α-helix	trans	-71.4	-48.9	176.4	-177.2	-91.5	0	0	0	110.9	S51 F56 N57 L58	S51-Y54 PolarHBondContact O-N 3.39Å; S51-Y54 PolarHBondContact OG-N 3.45Å; Y54-F56 VanDerWaalsContact C-N 3.29Å; Y54-F56 PolarHBondContact O-N 3.34Å; Y54-N57 PolarHBondContact O-N 3.02Å; Y54-N57 VanDerWaalsContact O-N 3.15Å; Y54-L58 WeakPolarHBondContact O-CB 3.4Å; Y54-L58 PolarHBondContact O-N 3.41Å
55	A	71.2	Confident	65.9	Low	9 Å²	9	74.4 Å²	74.4	7%	0.074	41%	0.41	C	S	.	.	H	α-helix	trans	-57.8	-43.2	176.9	0	0	0	0	0	111.6	S51 L58 F59 F583 L587	S51-A55 PolarHBondContact O-N 2.88Å; A55-L58 PolarHBondContact O-N 3.39Å; A55-F59 WeakPolarHBondContact O-CB 3.4Å; A55-F59 PolarHBondContact O-N 3.17Å; A55-F583 HydrophobicContact CB-CE2 4.22Å; A55-L587 HydrophobicContact CB-CD2 4.39Å
56	F	77.3	Confident	68.2	Low	100 Å²	100	73 Å²	73	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-43.6	175.4	-175.2	-102	0	0	0	112.7	L52 Y54 L58 F59 C60 M68	L52-F56 WeakPolarHBondContact O-CB 3.4Å; L52-F56 PolarHBondContact O-N 3.4Å; Y54-F56 VanDerWaalsContact C-N 3.29Å; Y54-F56 PolarHBondContact O-N 3.34Å; F56-L58 VanDerWaalsContact C-N 3.32Å; F56-L58 PolarHBondContact O-N 3.45Å; F56-F59 PolarHBondContact O-N 3.15Å; F56-C60 WeakPolarHBondContact CE1-SG 3.38Å; F56-C60 VanDerWaalsContact CZ-SG 3.51Å; F56-C60 WeakPolarHBondContact O-CB 3.33Å; F56-C60 PolarHBondContact O-N 3.27Å; F56-C60 PolarHBondContact O-SG 3.09Å; F56-M68 HydrophobicContact CE2-CE 4.07Å; F56-M68 HydrophobicContact CZ-CE 4.01Å
57	N	77	Confident	70.3	Confident	60 Å²	60	67.9 Å²	67.9	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-36.4	176.2	-84.7	-31.5	0	0	0	112.6	K53 Y54 N61 C72	K53-N57 VanDerWaalsContact O-CB 3.29Å; K53-N57 WeakPolarHBondContact O-CB 3.14Å; K53-N57 VanDerWaalsContact O-CG 3.32Å; K53-N57 PolarHBondContact O-N 3.12Å; K53-N57 PolarHBondContact O-ND2 2.64Å; Y54-N57 PolarHBondContact O-N 3.02Å; Y54-N57 VanDerWaalsContact O-N 3.15Å; N57-N61 WeakPolarHBondContact O-CB 3.07Å; N57-N61 PolarHBondContact O-N 2.84Å; N57-N61 PolarHBondContact O-ND2 3.21Å; N57-C72 PolarHBondContact OD1-SG 3.13Å
58	L	76.3	Confident	72.5	Confident	62 Å²	62	64.7 Å²	64.7	33%	0.325	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-51.5	174.2	-174.9	68.5	0	0	0	109.8	Y54 A55 F56 C60 N61 C62 L586	Y54-L58 WeakPolarHBondContact O-CB 3.4Å; Y54-L58 PolarHBondContact O-N 3.41Å; A55-L58 PolarHBondContact O-N 3.39Å; F56-L58 VanDerWaalsContact C-N 3.32Å; F56-L58 PolarHBondContact O-N 3.45Å; L58-C60 PolarHBondContact O-N 2.97Å; L58-N61 PolarHBondContact O-N 3.3Å; L58-N61 VanDerWaalsContact O-N 3.1Å; L58-C62 VanDerWaalsContact O-CB 3.3Å; L58-C62 WeakPolarHBondContact O-CB 3.33Å; L58-C62 PolarHBondContact O-N 3.23Å; L58-C62 PolarHBondContact O-SG 3.16Å; L58-L586 HydrophobicContact CD2-CD1 4.18Å
59	F	80.8	Confident	74.7	Confident	34 Å²	34	63.8 Å²	63.8	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-55.8	-49.2	176.4	-175.8	-101.7	0	0	0	112.1	A55 F56 N61 C62 T63 M68 F576 E579 F583	A55-F59 WeakPolarHBondContact O-CB 3.4Å; A55-F59 PolarHBondContact O-N 3.17Å; F56-F59 PolarHBondContact O-N 3.15Å; F59-N61 VanDerWaalsContact C-N 3.26Å; F59-N61 PolarHBondContact O-N 3.17Å; F59-C62 PolarHBondContact O-N 3.3Å; F59-T63 WeakPolarHBondContact O-CB 3.31Å; F59-T63 VanDerWaalsContact O-CG2 3.24Å; F59-T63 WeakPolarHBondContact O-CG2 3.27Å; F59-T63 PolarHBondContact O-N 3.06Å; F59-M68 HydrophobicContact CD1-CE 4.47Å; F59-M68 HydrophobicContact CE1-CE 4.46Å; F59-F576 AromaticContact CZ-CE2 3.91Å; F59-F576 HydrophobicContact CZ-CE2 3.91Å; F59-E579 HydrophobicContact CE2-CB 4.37Å; F59-F583 HydrophobicContact CB-CD2 3.67Å; F59-F583 HydrophobicContact CB-CE2 3.92Å; F59-F583 HydrophobicContact CB-CG 4.41Å; F59-F583 HydrophobicContact CD2-CB 3.73Å; F59-F583 AromaticContact CD2-CD2 3.97Å; F59-F583 HydrophobicContact CD2-CD2 3.97Å; F59-F583 AromaticContact CD2-CG 3.86Å; F59-F583 HydrophobicContact CD2-CG 3.86Å; F59-F583 HydrophobicContact CE2-CB 4.1Å; F59-F583 HydrophobicContact CE2-CG 4.39Å; F59-F583 AromaticContact CG-CD2 3.95Å; F59-F583 HydrophobicContact CG-CD2 3.95Å; F59-F583 HydrophobicContact CG-CE2 4.34Å; F59-F583 HydrophobicContact CG-CG 4.2Å
60	C	79.9	Confident	76.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-33.6	178.1	-70.3	0	0	0	0	113.5	F56 L58 M68 S69 C72	F56-C60 WeakPolarHBondContact CE1-SG 3.38Å; F56-C60 VanDerWaalsContact CZ-SG 3.51Å; F56-C60 WeakPolarHBondContact O-CB 3.33Å; F56-C60 PolarHBondContact O-N 3.27Å; F56-C60 PolarHBondContact O-SG 3.09Å; L58-C60 PolarHBondContact O-N 2.97Å; C60-M68 HydrophobicContact CB-CG 4.1Å; C60-M68 CarbonylContact O-C 3.4Å; C60-M68 VanDerWaalsContact SG-CE 3.56Å; C60-S69 WeakPolarHBondContact O-CA 3.3Å; C60-S69 WeakPolarHBondContact O-CB 3.37Å; C60-S69 PolarHBondContact O-N 2.71Å; C60-C72 HydrophobicContact CB-CB 4.42Å; C60-C72 WeakPolarHBondContact CB-SG 3.01Å; C60-C72 VanDerWaalsContact SG-SG 3.69Å
61	N	78.6	Confident	78	Confident	61 Å²	61	60 Å²	60	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-79.2	-31	179.5	-75.8	-32	0	0	0	112.8	N57 L58 F59 R73	N57-N61 WeakPolarHBondContact O-CB 3.07Å; N57-N61 PolarHBondContact O-N 2.84Å; N57-N61 PolarHBondContact O-ND2 3.21Å; L58-N61 PolarHBondContact O-N 3.3Å; L58-N61 VanDerWaalsContact O-N 3.1Å; F59-N61 VanDerWaalsContact C-N 3.26Å; F59-N61 PolarHBondContact O-N 3.17Å; N61-R73 PolarHBondContact OD1-NE 3.33Å; N61-R73 PolarHBondContact OD1-NH2 2.99Å
62	C	78.8	Confident	78.7	Confident	56 Å²	56	58.7 Å²	58.7	38%	0.378	29%	0.293	S	S	.	.	H	α-helix	trans	-104.2	-14.3	-170.5	-61.1	0	0	0	0	113.6	L58 F59 C610	L58-C62 VanDerWaalsContact O-CB 3.3Å; L58-C62 WeakPolarHBondContact O-CB 3.33Å; L58-C62 PolarHBondContact O-N 3.23Å; L58-C62 PolarHBondContact O-SG 3.16Å; F59-C62 PolarHBondContact O-N 3.3Å; C62-C610 PolarHBondContact SG-SG 3.18Å
63	T	83.8	Confident	79	Confident	18 Å²	18	59.5 Å²	59.5	11%	0.11	29%	0.286	C	S	.	.			trans	-69.3	146	-175.8	-174.8	0	0	0	0	112.8	F59 V65 M68 E579	F59-T63 WeakPolarHBondContact O-CB 3.31Å; F59-T63 VanDerWaalsContact O-CG2 3.24Å; F59-T63 WeakPolarHBondContact O-CG2 3.27Å; F59-T63 PolarHBondContact O-N 3.06Å; T63-V65 HydrophobicContact CG2-CB 3.9Å; T63-V65 PolarHBondContact O-N 3.46Å; T63-V65 WeakPolarHBondContact OG1-CG2 3.39Å; T63-V65 PolarHBondContact OG1-N 3.03Å; T63-M68 HydrophobicContact CG2-CB 3.47Å; T63-M68 VanDerWaalsContact CG2-CB 3.47Å; T63-M68 HydrophobicContact CG2-CG 3.64Å; T63-E579 WeakPolarHBondContact CA-OE2 3.32Å; T63-E579 WeakPolarHBondContact CB-OE2 3.38Å; T63-E579 PolarHBondContact OG1-OE2 3.41Å
64	S	83.3	Confident	79.1	Confident	40 Å²	40	53.9 Å²	53.9	28%	0.28	27%	0.273	S	S	.	.	S	Bend	trans	-70.3	-12.4	170.4	50.8	0	0	0	0	114	R66 E579	S64-R66 PolarHBondContact O-N 3.32Å; S64-R66 VanDerWaalsContact O-N 3.17Å; S64-E579 WeakPolarHBondContact CB-OE1 3.32Å; S64-E579 PolarHBondContact N-OE1 3.5Å; S64-E579 VanDerWaalsContact N-OE1 3.12Å; S64-E579 PolarHBondContact N-OE2 2.93Å; S64-E579 VanDerWaalsContact OG-CD 3.25Å; S64-E579 PolarHBondContact OG-OE1 3.4Å; S64-E579 PolarHBondContact OG-OE2 3.49Å; S64-E579 VanDerWaalsContact OG-OE2 3.12Å
65	V	85.2	Confident	79.7	Confident	19 Å²	19	53.1 Å²	53.1	12%	0.115	28%	0.28	C	S	.	.	S	Bend	trans	-62.6	114.4	176.6	172.2	0	0	0	0	110.4	T63 G67 M68 I570 F576	T63-V65 HydrophobicContact CG2-CB 3.9Å; T63-V65 PolarHBondContact O-N 3.46Å; T63-V65 WeakPolarHBondContact OG1-CG2 3.39Å; T63-V65 PolarHBondContact OG1-N 3.03Å; V65-G67 PolarHBondContact O-N 2.97Å; V65-M68 HydrophobicContact CB-CB 4.14Å; V65-M68 HydrophobicContact CG1-CB 3.96Å; V65-M68 WeakPolarHBondContact O-CB 3.31Å; V65-M68 PolarHBondContact O-N 3.42Å; V65-I570 HydrophobicContact CB-CG2 4.05Å; V65-I570 HydrophobicContact CG1-CG2 3.43Å; V65-I570 VanDerWaalsContact CG1-CG2 3.43Å; V65-I570 HydrophobicContact CG2-CG2 4.12Å; V65-F576 HydrophobicContact CG2-CD2 3.55Å; V65-F576 HydrophobicContact CG2-CE2 3.42Å; V65-F576 VanDerWaalsContact CG2-CE2 3.42Å; V65-F576 HydrophobicContact CG2-CZ 4.41Å
66	R	84.7	Confident	80.3	Confident	134 Å²	134	61.1 Å²	61.1	51%	0.506	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	132.3	178.1	-67	179.2	-178.7	157.5	5.7	110.6	S64 M68 S567 I570	S64-R66 PolarHBondContact O-N 3.32Å; S64-R66 VanDerWaalsContact O-N 3.17Å; R66-M68 VanDerWaalsContact C-N 3.33Å; R66-M68 PolarHBondContact O-N 2.91Å; R66-S567 PolarHBondContact NH1-O 3.35Å; R66-I570 VanDerWaalsContact CB-O 3.27Å; R66-I570 WeakPolarHBondContact CB-O 3.48Å; R66-I570 WeakPolarHBondContact CG-O 3.3Å; R66-I570 PolarHBondContact N-O 2.99Å
67	G	83	Confident	80.7	Confident	8 Å²	8	61.6 Å²	61.6	8%	0.082	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-21.7	179.6	0	0	0	0	0	114.6	V65 S69 K70 L71	V65-G67 PolarHBondContact O-N 2.97Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 3.4Å; G67-K70 WeakPolarHBondContact O-CB 3.09Å; G67-K70 PolarHBondContact O-N 3.44Å; G67-L71 PolarHBondContact O-N 3.31Å
68	M	83.4	Confident	81.2	Confident	33 Å²	33	62.5 Å²	62.5	16%	0.163	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-38.6	-177.5	-161.9	62.9	159.8	0	0	112.8	F56 F59 C60 T63 V65 R66 K70 L71	F56-M68 HydrophobicContact CE2-CE 4.07Å; F56-M68 HydrophobicContact CZ-CE 4.01Å; F59-M68 HydrophobicContact CD1-CE 4.47Å; F59-M68 HydrophobicContact CE1-CE 4.46Å; C60-M68 HydrophobicContact CB-CG 4.1Å; C60-M68 CarbonylContact O-C 3.4Å; C60-M68 VanDerWaalsContact SG-CE 3.56Å; T63-M68 HydrophobicContact CG2-CB 3.47Å; T63-M68 VanDerWaalsContact CG2-CB 3.47Å; T63-M68 HydrophobicContact CG2-CG 3.64Å; V65-M68 HydrophobicContact CB-CB 4.14Å; V65-M68 HydrophobicContact CG1-CB 3.96Å; V65-M68 WeakPolarHBondContact O-CB 3.31Å; V65-M68 PolarHBondContact O-N 3.42Å; R66-M68 VanDerWaalsContact C-N 3.33Å; R66-M68 PolarHBondContact O-N 2.91Å; M68-K70 PolarHBondContact O-N 3.41Å; M68-L71 WeakPolarHBondContact O-CB 3.44Å; M68-L71 PolarHBondContact O-N 3.26Å; M68-L71 HydrophobicContact SD-CD1 3.76Å
69	S	82	Confident	81.7	Confident	38 Å²	38	64.4 Å²	64.4	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-23.6	176	63.4	0	0	0	0	113.9	C60 G67 R73	C60-S69 WeakPolarHBondContact O-CA 3.3Å; C60-S69 WeakPolarHBondContact O-CB 3.37Å; C60-S69 PolarHBondContact O-N 2.71Å; G67-S69 VanDerWaalsContact C-N 3.34Å; G67-S69 PolarHBondContact O-N 3.4Å; S69-R73 PolarHBondContact O-N 2.83Å
70	K	82.5	Confident	82	Confident	105 Å²	105	67.6 Å²	67.6	46%	0.457	35%	0.349	S	S	.	.	H	α-helix	trans	-84.1	-18.7	177.5	-59.3	-63.7	-174.6	177.4	0	112.6	G67 M68 C72 R73 W82	G67-K70 WeakPolarHBondContact O-CB 3.09Å; G67-K70 PolarHBondContact O-N 3.44Å; M68-K70 PolarHBondContact O-N 3.41Å; K70-C72 VanDerWaalsContact C-N 3.3Å; K70-R73 PolarHBondContact O-N 2.99Å; K70-W82 HydrophobicContact CB-CB 4.31Å; K70-W82 HydrophobicContact CB-CD2 3.83Å; K70-W82 HydrophobicContact CB-CG 3.66Å; K70-W82 HydrophobicContact CG-CD2 4.18Å; K70-W82 HydrophobicContact CG-CG 4.47Å; K70-W82 HydrophobicContact CG-CZ2 4.22Å
71	L	81.6	Confident	82.5	Confident	37 Å²	37	72.8 Å²	72.8	19%	0.194	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-34.4	170.7	-82	131.1	0	0	0	111.9	G67 M68 R79 L83 V86	G67-L71 PolarHBondContact O-N 3.31Å; M68-L71 WeakPolarHBondContact O-CB 3.44Å; M68-L71 PolarHBondContact O-N 3.26Å; M68-L71 HydrophobicContact SD-CD1 3.76Å; L71-R79 VanDerWaalsContact O-CD 3.26Å; L71-R79 WeakPolarHBondContact O-CD 3.35Å; L71-R79 WeakPolarHBondContact O-CG 3.46Å; L71-R79 PolarHBondContact O-NE 2.87Å; L71-L83 HydrophobicContact CD2-CB 3.65Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 4.15Å; L71-V86 HydrophobicContact CD1-CB 4.47Å; L71-V86 HydrophobicContact CD1-CG2 4.02Å
72	C	75.8	Confident	83	Confident	28 Å²	28	73.9 Å²	73.9	19%	0.189	37%	0.374	C	S	.	.	H	α-helix	trans	-86.7	-21.4	177.3	-68	0	0	0	0	113.4	N57 C60 K70 R79	N57-C72 PolarHBondContact OD1-SG 3.13Å; C60-C72 HydrophobicContact CB-CB 4.42Å; C60-C72 WeakPolarHBondContact CB-SG 3.01Å; C60-C72 VanDerWaalsContact SG-SG 3.69Å; K70-C72 VanDerWaalsContact C-N 3.3Å; C72-R79 PolarHBondContact O-NH2 2.85Å
73	R	72.6	Confident	83.5	Confident	152 Å²	152	75 Å²	75	57%	0.574	38%	0.376	S	S	*	.	S	Bend	trans	-118.2	117.4	-172.8	-65.9	179	178.9	151.7	-0.3	112.5	N61 S69 K70	N61-R73 PolarHBondContact OD1-NE 3.33Å; N61-R73 PolarHBondContact OD1-NH2 2.99Å; S69-R73 PolarHBondContact O-N 2.83Å; K70-R73 PolarHBondContact O-N 2.99Å
74	G	73.7	Confident	83.9	Confident	38 Å²	38	79.2 Å²	79.2	39%	0.392	40%	0.396	S	S	.	.	S	Bend	trans	129.6	176	171.6	0	0	0	0	0	115.2	R79	G74-R79 VanDerWaalsContact O-CZ 3.31Å; G74-R79 PolarHBondContact O-NE 3.43Å; G74-R79 PolarHBondContact O-NH2 3.42Å
75	P	82.2	Confident	84.3	Confident	84 Å²	84	81.4 Å²	81.4	55%	0.545	40%	0.401	S	S	.	.			trans	-64.5	153.7	175.7	27.2	-34.9	0	0	0	112	V77 L78 R79	P75-V77 PolarHBondContact O-N 3.1Å; P75-V77 VanDerWaalsContact O-N 3.11Å; P75-L78 HydrophobicContact CG-CB 4.26Å; P75-L78 HydrophobicContact CG-CD1 3.79Å; P75-L78 HydrophobicContact CG-CG 4.04Å; P75-L78 PolarHBondContact O-N 3.49Å; P75-L78 VanDerWaalsContact O-N 3.11Å; P75-R79 PolarHBondContact O-N 3.39Å
76	K	83.9	Confident	84.5	Confident	176 Å²	176	81.3 Å²	81.3	77%	0.765	40%	0.401	S	S	*	.	H	α-helix	trans	-50.4	-41.2	-174.3	-68.3	-176.7	179.9	178.3	0	113.2	R79 I80	K76-R79 WeakPolarHBondContact O-CB 3.23Å; K76-R79 PolarHBondContact O-N 2.88Å; K76-I80 WeakPolarHBondContact O-CG1 3.39Å; K76-I80 PolarHBondContact O-N 3.18Å
77	V	86.6	Confident	84.9	Confident	110 Å²	110	79.8 Å²	79.8	67%	0.667	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-47.1	-178.5	-178.9	0	0	0	0	112.1	P75 R79 I80 M81	P75-V77 PolarHBondContact O-N 3.1Å; P75-V77 VanDerWaalsContact O-N 3.11Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.34Å; V77-I80 PolarHBondContact O-N 3.33Å; V77-M81 PolarHBondContact O-N 3.46Å
78	L	85.8	Confident	85.4	Confident	79 Å²	79	82.7 Å²	82.7	41%	0.414	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-34.6	178	-70.7	178.1	0	0	0	111.6	P75 M81 W82	P75-L78 HydrophobicContact CG-CB 4.26Å; P75-L78 HydrophobicContact CG-CD1 3.79Å; P75-L78 HydrophobicContact CG-CG 4.04Å; P75-L78 PolarHBondContact O-N 3.49Å; P75-L78 VanDerWaalsContact O-N 3.11Å; L78-M81 HydrophobicContact CD2-CE 3.71Å; L78-M81 HydrophobicContact CD2-SD 4.41Å; L78-M81 PolarHBondContact O-N 2.99Å; L78-W82 VanDerWaalsContact O-CD1 3.23Å; L78-W82 PolarHBondContact O-N 2.89Å
79	R	87.2	Confident	85.9	Confident	103 Å²	103	83.6 Å²	83.6	39%	0.389	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175	-66.8	-178.5	178.3	171.4	-1.8	112	L71 C72 G74 P75 K76 V77 W82 L83	L71-R79 VanDerWaalsContact O-CD 3.26Å; L71-R79 WeakPolarHBondContact O-CD 3.35Å; L71-R79 WeakPolarHBondContact O-CG 3.46Å; L71-R79 PolarHBondContact O-NE 2.87Å; C72-R79 PolarHBondContact O-NH2 2.85Å; G74-R79 VanDerWaalsContact O-CZ 3.31Å; G74-R79 PolarHBondContact O-NE 3.43Å; G74-R79 PolarHBondContact O-NH2 3.42Å; P75-R79 PolarHBondContact O-N 3.39Å; K76-R79 WeakPolarHBondContact O-CB 3.23Å; K76-R79 PolarHBondContact O-N 2.88Å; V77-R79 VanDerWaalsContact C-N 3.31Å; V77-R79 PolarHBondContact O-N 3.34Å; R79-W82 PolarHBondContact O-N 2.7Å; R79-L83 VanDerWaalsContact O-CB 3.3Å; R79-L83 WeakPolarHBondContact O-CB 3.49Å; R79-L83 PolarHBondContact O-N 2.89Å
80	I	88.2	Confident	86.4	Confident	100 Å²	100	84 Å²	84	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-64.8	-43.5	176.5	-65.7	169.5	0	0	0	110.4	K76 V77 W82 L83 I84	K76-I80 WeakPolarHBondContact O-CG1 3.39Å; K76-I80 PolarHBondContact O-N 3.18Å; V77-I80 PolarHBondContact O-N 3.33Å; I80-W82 PolarHBondContact O-N 3.46Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 3.33Å; I80-I84 HydrophobicContact CG2-CD1 3.89Å; I80-I84 HydrophobicContact CG2-CG1 4.48Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.29Å
81	M	89.6	Confident	87	Confident	110 Å²	110	86.3 Å²	86.3	54%	0.542	44%	0.437	S	S	.	.	H	α-helix	trans	-59.3	-48	176.2	-174.4	-157.9	-59.7	0	0	111.9	V77 L78 L83 I84 F85	V77-M81 PolarHBondContact O-N 3.46Å; L78-M81 HydrophobicContact CD2-CE 3.71Å; L78-M81 HydrophobicContact CD2-SD 4.41Å; L78-M81 PolarHBondContact O-N 2.99Å; M81-L83 VanDerWaalsContact C-N 3.35Å; M81-I84 PolarHBondContact O-N 3.03Å; M81-F85 WeakPolarHBondContact O-CB 3.4Å; M81-F85 PolarHBondContact O-N 2.85Å
82	W	88.8	Confident	87.6	Confident	84 Å²	84	88.7 Å²	88.7	32%	0.318	45%	0.449	S	S	.	.	H	α-helix	trans	-65.9	-35.6	176.8	-82.6	106.2	0	0	0	112.7	K70 L78 R79 I80 F85 V86	K70-W82 HydrophobicContact CB-CB 4.31Å; K70-W82 HydrophobicContact CB-CD2 3.83Å; K70-W82 HydrophobicContact CB-CG 3.66Å; K70-W82 HydrophobicContact CG-CD2 4.18Å; K70-W82 HydrophobicContact CG-CG 4.47Å; K70-W82 HydrophobicContact CG-CZ2 4.22Å; L78-W82 VanDerWaalsContact O-CD1 3.23Å; L78-W82 PolarHBondContact O-N 2.89Å; R79-W82 PolarHBondContact O-N 2.7Å; I80-W82 PolarHBondContact O-N 3.46Å; W82-F85 AromaticContact CE3-CD1 3.9Å; W82-F85 HydrophobicContact CE3-CD1 3.9Å; W82-F85 HydrophobicContact CE3-CG 4.49Å; W82-F85 AromaticContact CZ3-CD1 3.83Å; W82-F85 HydrophobicContact CZ3-CD1 3.83Å; W82-F85 HydrophobicContact CZ3-CE1 4.04Å; W82-F85 PolarHBondContact O-N 3.17Å; W82-V86 WeakPolarHBondContact O-CB 3.41Å; W82-V86 VanDerWaalsContact O-CG2 3.3Å; W82-V86 WeakPolarHBondContact O-CG2 3.29Å; W82-V86 PolarHBondContact O-N 3.19Å
83	L	89.5	Confident	88.4	Confident	79 Å²	79	88 Å²	88	41%	0.414	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-48.6	173.4	-179.1	66.3	0	0	0	111.4	L71 R79 I80 M81 F85 V86 L87	L71-L83 HydrophobicContact CD2-CB 3.65Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 4.15Å; R79-L83 VanDerWaalsContact O-CB 3.3Å; R79-L83 WeakPolarHBondContact O-CB 3.49Å; R79-L83 PolarHBondContact O-N 2.89Å; I80-L83 WeakPolarHBondContact O-CB 3.5Å; I80-L83 PolarHBondContact O-N 3.33Å; M81-L83 VanDerWaalsContact C-N 3.35Å; L83-F85 VanDerWaalsContact C-N 3.32Å; L83-F85 PolarHBondContact O-N 2.98Å; L83-V86 PolarHBondContact O-N 2.69Å; L83-L87 HydrophobicContact CD1-CD1 4.07Å; L83-L87 HydrophobicContact CD1-CG 4.29Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.32Å
84	I	91.9	Very high	89.5	Confident	106 Å²	106	86.3 Å²	86.3	54%	0.544	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.5	-67.5	167	0	0	0	110.4	I80 M81 L87 S88	I80-I84 HydrophobicContact CG2-CD1 3.89Å; I80-I84 HydrophobicContact CG2-CG1 4.48Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.29Å; M81-I84 PolarHBondContact O-N 3.03Å; I84-L87 PolarHBondContact O-N 3.11Å; I84-S88 WeakPolarHBondContact O-CB 3.18Å; I84-S88 PolarHBondContact O-N 3.37Å
85	F	91.3	Very high	90.5	Very high	86 Å²	86	87 Å²	87	38%	0.377	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-50.5	176.9	176	-94.8	0	0	0	112.1	M81 W82 L83 S88 M89	M81-F85 WeakPolarHBondContact O-CB 3.4Å; M81-F85 PolarHBondContact O-N 2.85Å; W82-F85 AromaticContact CE3-CD1 3.9Å; W82-F85 HydrophobicContact CE3-CD1 3.9Å; W82-F85 HydrophobicContact CE3-CG 4.49Å; W82-F85 AromaticContact CZ3-CD1 3.83Å; W82-F85 HydrophobicContact CZ3-CD1 3.83Å; W82-F85 HydrophobicContact CZ3-CE1 4.04Å; W82-F85 PolarHBondContact O-N 3.17Å; L83-F85 VanDerWaalsContact C-N 3.32Å; L83-F85 PolarHBondContact O-N 2.98Å; F85-S88 PolarHBondContact O-N 2.99Å; F85-M89 HydrophobicContact CD2-CG 4.34Å; F85-M89 HydrophobicContact CE1-CG 4.14Å; F85-M89 HydrophobicContact CE2-CE 3.83Å; F85-M89 HydrophobicContact CE2-CG 3.92Å; F85-M89 HydrophobicContact CZ-CE 4.34Å; F85-M89 HydrophobicContact CZ-CG 3.81Å; F85-M89 WeakPolarHBondContact O-CB 3.42Å; F85-M89 WeakPolarHBondContact O-CG 3.46Å; F85-M89 PolarHBondContact O-N 3.19Å
86	V	91	Very high	91.1	Very high	17 Å²	17	84.5 Å²	84.5	10%	0.103	43%	0.428	C	S	.	.	H	α-helix	trans	-61.8	-46.8	179.2	172	0	0	0	0	110.3	L71 W82 L83 S88 M89 T90	L71-V86 HydrophobicContact CD1-CB 4.47Å; L71-V86 HydrophobicContact CD1-CG2 4.02Å; W82-V86 WeakPolarHBondContact O-CB 3.41Å; W82-V86 VanDerWaalsContact O-CG2 3.3Å; W82-V86 WeakPolarHBondContact O-CG2 3.29Å; W82-V86 PolarHBondContact O-N 3.19Å; L83-V86 PolarHBondContact O-N 2.69Å; V86-S88 PolarHBondContact O-N 2.86Å; V86-M89 PolarHBondContact O-N 3.2Å; V86-T90 HydrophobicContact CG1-CG2 4.26Å; V86-T90 WeakPolarHBondContact O-CB 3.29Å; V86-T90 WeakPolarHBondContact O-CG2 3.39Å; V86-T90 PolarHBondContact O-N 3.36Å; V86-T90 PolarHBondContact O-OG1 2.64Å
87	L	92.5	Very high	91.7	Very high	102 Å²	102	77.3 Å²	77.3	53%	0.534	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-45.8	177.9	-72	174.5	0	0	0	112.3	L83 I84 M89 T90 F91	L83-L87 HydrophobicContact CD1-CD1 4.07Å; L83-L87 HydrophobicContact CD1-CG 4.29Å; L83-L87 HydrophobicContact CG-CD1 3.98Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.31Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.32Å; I84-L87 PolarHBondContact O-N 3.11Å; L87-M89 PolarHBondContact O-N 3.06Å; L87-T90 WeakPolarHBondContact CA-OG1 3.41Å; L87-T90 PolarHBondContact O-N 2.7Å; L87-T90 PolarHBondContact O-OG1 3.19Å; L87-F91 WeakPolarHBondContact O-CB 3.44Å; L87-F91 PolarHBondContact O-N 3.26Å
88	S	93.5	Very high	92.1	Very high	70 Å²	70	74.9 Å²	74.9	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-61.1	-46.4	177.9	-178.7	0	0	0	0	111.8	I84 F85 V86 T90 F91 L92	I84-S88 WeakPolarHBondContact O-CB 3.18Å; I84-S88 PolarHBondContact O-N 3.37Å; F85-S88 PolarHBondContact O-N 2.99Å; V86-S88 PolarHBondContact O-N 2.86Å; S88-T90 PolarHBondContact O-N 3.07Å; S88-F91 PolarHBondContact O-N 3.03Å; S88-L92 WeakPolarHBondContact O-CB 3.23Å; S88-L92 PolarHBondContact O-N 2.88Å
89	M	93.6	Very high	92.6	Very high	52 Å²	52	75.8 Å²	75.8	26%	0.256	40%	0.396	S	S	.	.	H	α-helix	trans	-67.6	-34.7	177.4	-72	-63.7	163.8	0	0	112.6	F85 V86 L87 L92 L93 T569 I570	F85-M89 HydrophobicContact CD2-CG 4.34Å; F85-M89 HydrophobicContact CE1-CG 4.14Å; F85-M89 HydrophobicContact CE2-CE 3.83Å; F85-M89 HydrophobicContact CE2-CG 3.92Å; F85-M89 HydrophobicContact CZ-CE 4.34Å; F85-M89 HydrophobicContact CZ-CG 3.81Å; F85-M89 WeakPolarHBondContact O-CB 3.42Å; F85-M89 WeakPolarHBondContact O-CG 3.46Å; F85-M89 PolarHBondContact O-N 3.19Å; V86-M89 PolarHBondContact O-N 3.2Å; L87-M89 PolarHBondContact O-N 3.06Å; M89-L92 HydrophobicContact SD-CD2 4.2Å; M89-L93 WeakPolarHBondContact O-CB 3.5Å; M89-L93 PolarHBondContact O-N 3.43Å; M89-T569 HydrophobicContact SD-CG2 4.43Å; M89-I570 HydrophobicContact CB-CG1 4.1Å
90	T	91.9	Very high	93	Very high	45 Å²	45	72.1 Å²	72.1	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-45.3	171.9	58.8	0	0	0	0	111.3	V86 L87 S88 L92 L93 L94 I570	V86-T90 HydrophobicContact CG1-CG2 4.26Å; V86-T90 WeakPolarHBondContact O-CB 3.29Å; V86-T90 WeakPolarHBondContact O-CG2 3.39Å; V86-T90 PolarHBondContact O-N 3.36Å; V86-T90 PolarHBondContact O-OG1 2.64Å; L87-T90 WeakPolarHBondContact CA-OG1 3.41Å; L87-T90 PolarHBondContact O-N 2.7Å; L87-T90 PolarHBondContact O-OG1 3.19Å; S88-T90 PolarHBondContact O-N 3.07Å; T90-L92 PolarHBondContact O-N 3.43Å; T90-L93 PolarHBondContact O-N 2.92Å; T90-L94 WeakPolarHBondContact O-CD1 3.19Å; T90-L94 PolarHBondContact O-N 2.98Å; T90-I570 HydrophobicContact CG2-CD1 3.25Å; T90-I570 HydrophobicContact CG2-CG1 4.34Å
91	F	94.8	Very high	93.3	Very high	155 Å²	155	70.9 Å²	70.9	68%	0.68	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-42.8	178.4	-178.1	-99.3	0	0	0	111.7	L87 S88 L93 L94 S95	L87-F91 WeakPolarHBondContact O-CB 3.44Å; L87-F91 PolarHBondContact O-N 3.26Å; S88-F91 PolarHBondContact O-N 3.03Å; F91-L93 PolarHBondContact O-N 3.49Å; F91-L94 PolarHBondContact O-N 2.85Å; F91-S95 WeakPolarHBondContact O-CB 3.26Å; F91-S95 PolarHBondContact O-N 2.92Å
92	L	94.3	Very high	93.5	Very high	86 Å²	86	72 Å²	72	45%	0.45	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-43.3	175.3	-176.5	65.8	0	0	0	111.8	S88 M89 T90 S96	S88-L92 WeakPolarHBondContact O-CB 3.23Å; S88-L92 PolarHBondContact O-N 2.88Å; M89-L92 HydrophobicContact SD-CD2 4.2Å; T90-L92 PolarHBondContact O-N 3.43Å; L92-S96 VanDerWaalsContact O-CB 3.23Å; L92-S96 WeakPolarHBondContact O-CB 3.31Å; L92-S96 PolarHBondContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 3.48Å
93	L	94.2	Very high	93.8	Very high	14 Å²	14	71.8 Å²	71.8	7%	0.073	38%	0.384	C	S	.	.	H	α-helix	trans	-61.3	-50.3	176.3	178.2	63	0	0	0	111.1	M89 T90 F91 S96 T97 L565 T569 I570	M89-L93 WeakPolarHBondContact O-CB 3.5Å; M89-L93 PolarHBondContact O-N 3.43Å; T90-L93 PolarHBondContact O-N 2.92Å; F91-L93 PolarHBondContact O-N 3.49Å; L93-S96 PolarHBondContact O-N 3.37Å; L93-T97 HydrophobicContact CD1-CG2 3.88Å; L93-T97 HydrophobicContact CG-CG2 4.43Å; L93-T97 WeakPolarHBondContact O-CB 3.26Å; L93-T97 WeakPolarHBondContact O-CG2 3.17Å; L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 PolarHBondContact O-OG1 2.94Å; L93-L565 HydrophobicContact CD1-CB 3.74Å; L93-T569 HydrophobicContact CB-CG2 4.23Å; L93-I570 HydrophobicContact CD2-CD1 4.03Å
94	L	94.4	Very high	94	Very high	116 Å²	116	69.8 Å²	69.8	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-61.5	-46	179.7	-90.8	77.7	0	0	0	111.7	T90 F91 T97 A98	T90-L94 WeakPolarHBondContact O-CD1 3.19Å; T90-L94 PolarHBondContact O-N 2.98Å; F91-L94 PolarHBondContact O-N 2.85Å; L94-T97 WeakPolarHBondContact CA-OG1 3.34Å; L94-T97 PolarHBondContact O-OG1 3.22Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.42Å; L94-A98 PolarHBondContact O-N 3.44Å
95	S	95.7	Very high	94.1	Very high	53 Å²	53	69 Å²	69	37%	0.371	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-47.3	179	-177.7	0	0	0	0	111.9	F91 T97 A98 L99	F91-S95 WeakPolarHBondContact O-CB 3.26Å; F91-S95 PolarHBondContact O-N 2.92Å; S95-T97 PolarHBondContact O-N 2.72Å; S95-A98 PolarHBondContact O-N 2.97Å; S95-L99 WeakPolarHBondContact O-CG 3.44Å; S95-L99 PolarHBondContact O-N 3.39Å
96	S	95.5	Very high	94.2	Very high	31 Å²	31	68.1 Å²	68.1	22%	0.217	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-39.7	-179	-55.5	0	0	0	0	112.2	L92 L93 L99 L100	L92-S96 VanDerWaalsContact O-CB 3.23Å; L92-S96 WeakPolarHBondContact O-CB 3.31Å; L92-S96 PolarHBondContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 3.48Å; L93-S96 PolarHBondContact O-N 3.37Å; S96-L99 PolarHBondContact O-N 3.48Å; S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 2.93Å
97	T	94.8	Very high	94.3	Very high	26 Å²	26	70.3 Å²	70.3	16%	0.16	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-40.4	175.7	52.1	0	0	0	0	111.6	L93 L94 S95 L99 L100 I101 I562 L565	L93-T97 HydrophobicContact CD1-CG2 3.88Å; L93-T97 HydrophobicContact CG-CG2 4.43Å; L93-T97 WeakPolarHBondContact O-CB 3.26Å; L93-T97 WeakPolarHBondContact O-CG2 3.17Å; L93-T97 PolarHBondContact O-N 2.9Å; L93-T97 PolarHBondContact O-OG1 2.94Å; L94-T97 WeakPolarHBondContact CA-OG1 3.34Å; L94-T97 PolarHBondContact O-OG1 3.22Å; S95-T97 PolarHBondContact O-N 2.72Å; T97-L99 PolarHBondContact O-N 2.81Å; T97-L100 PolarHBondContact O-N 2.72Å; T97-I101 VanDerWaalsContact O-CG1 3.24Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.36Å; T97-I562 HydrophobicContact CG2-CG1 4.31Å; T97-I562 HydrophobicContact CG2-CG2 4.19Å; T97-L565 HydrophobicContact CG2-CD1 4.21Å
98	A	95.8	Very high	94.5	Very high	59 Å²	59	69 Å²	69	49%	0.488	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-42.8	174.7	0	0	0	0	0	112.4	L94 S95 I101 K102	L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.42Å; L94-A98 PolarHBondContact O-N 3.44Å; S95-A98 PolarHBondContact O-N 2.97Å; A98-I101 PolarHBondContact O-N 3.45Å; A98-K102 WeakPolarHBondContact O-CB 3.25Å; A98-K102 PolarHBondContact O-N 3.06Å
99	L	95.7	Very high	94.5	Very high	98 Å²	98	67.2 Å²	67.2	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.8	-69.9	174.5	0	0	0	111.9	S95 S96 T97 I101 K102 D103	S95-L99 WeakPolarHBondContact O-CG 3.44Å; S95-L99 PolarHBondContact O-N 3.39Å; S96-L99 PolarHBondContact O-N 3.48Å; T97-L99 PolarHBondContact O-N 2.81Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.08Å; L99-K102 WeakPolarHBondContact O-CB 3.39Å; L99-K102 PolarHBondContact O-N 3.3Å; L99-K102 VanDerWaalsContact O-N 3.14Å; L99-D103 PolarHBondContact O-N 3.07Å
100	L	95.2	Very high	94.6	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-38.7	176.3	-77.5	175.4	0	0	0	112.9	S96 T97 D103 F104 L558 R561 L565	S96-L100 WeakPolarHBondContact O-CG 3.46Å; S96-L100 PolarHBondContact O-N 2.93Å; T97-L100 PolarHBondContact O-N 2.72Å; L100-D103 PolarHBondContact O-N 3.05Å; L100-F104 WeakPolarHBondContact O-CB 3.5Å; L100-F104 PolarHBondContact O-N 3.06Å; L100-L558 HydrophobicContact CB-CD1 4.17Å; L100-R561 HydrophobicContact CD1-CB 4.02Å; L100-L565 HydrophobicContact CD1-CD1 3.37Å
101	I	95	Very high	94.8	Very high	75 Å²	75	69.2 Å²	69.2	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-41.3	175.6	-68.8	164.7	0	0	0	110.1	T97 A98 L99 D103 F104 L105	T97-I101 VanDerWaalsContact O-CG1 3.24Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.36Å; A98-I101 PolarHBondContact O-N 3.45Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.08Å; I101-D103 PolarHBondContact O-N 3.44Å; I101-F104 WeakPolarHBondContact O-CB 3.38Å; I101-F104 PolarHBondContact O-N 2.84Å; I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.87Å
102	K	95.1	Very high	94.8	Very high	132 Å²	132	64.3 Å²	64.3	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-60	-46.3	175	-174.9	-176	176.9	-175.5	0	111.5	A98 L99 F104 L105 N106	A98-K102 WeakPolarHBondContact O-CB 3.25Å; A98-K102 PolarHBondContact O-N 3.06Å; L99-K102 WeakPolarHBondContact O-CB 3.39Å; L99-K102 PolarHBondContact O-N 3.3Å; L99-K102 VanDerWaalsContact O-N 3.14Å; K102-F104 VanDerWaalsContact C-N 3.32Å; K102-F104 PolarHBondContact O-N 2.74Å; K102-L105 PolarHBondContact O-N 3.41Å; K102-N106 PolarHBondContact O-N 3.31Å
103	D	93.8	Very high	94.9	Very high	81 Å²	81	64 Å²	64	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-38.1	177.5	-67.9	-14.5	0	0	0	111.6	L99 L100 I101 L105 N106	L99-D103 PolarHBondContact O-N 3.07Å; L100-D103 PolarHBondContact O-N 3.05Å; I101-D103 PolarHBondContact O-N 3.44Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.85Å; D103-N106 WeakPolarHBondContact O-CB 3.41Å; D103-N106 PolarHBondContact O-N 2.89Å
104	F	94	Very high	95	Very high	37 Å²	37	67.7 Å²	67.7	16%	0.162	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-43.2	173.1	176.7	-105.7	0	0	0	112.1	L100 I101 K102 N106 Y107 L553 L555 L558	L100-F104 WeakPolarHBondContact O-CB 3.5Å; L100-F104 PolarHBondContact O-N 3.06Å; I101-F104 WeakPolarHBondContact O-CB 3.38Å; I101-F104 PolarHBondContact O-N 2.84Å; K102-F104 VanDerWaalsContact C-N 3.32Å; K102-F104 PolarHBondContact O-N 2.74Å; F104-N106 PolarHBondContact O-N 3.06Å; F104-Y107 PolarHBondContact O-N 3.11Å; F104-L553 HydrophobicContact CB-CD2 3.74Å; F104-L553 HydrophobicContact CB-CG 4.44Å; F104-L553 HydrophobicContact CD2-CD2 4.37Å; F104-L553 HydrophobicContact CD2-CG 4.18Å; F104-L553 WeakPolarHBondContact CD2-O 3.48Å; F104-L555 HydrophobicContact CZ-CB 4.49Å; F104-L555 HydrophobicContact CZ-CD1 4.29Å; F104-L558 HydrophobicContact CB-CD1 4.15Å; F104-L558 HydrophobicContact CB-CD2 4.13Å; F104-L558 HydrophobicContact CD1-CD2 3.79Å; F104-L558 HydrophobicContact CD2-CB 4.21Å; F104-L558 HydrophobicContact CD2-CD2 3.93Å; F104-L558 HydrophobicContact CE1-CD2 4.14Å; F104-L558 HydrophobicContact CE2-CD2 4.27Å; F104-L558 HydrophobicContact CG-CD2 3.67Å; F104-L558 HydrophobicContact CG-CG 4.49Å; F104-L558 HydrophobicContact CZ-CD2 4.37Å
105	L	94.3	Very high	95.1	Very high	88 Å²	88	67 Å²	67	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-73.2	-9.8	179.7	-67.1	174	0	0	0	114	I101 K102 D103 Y107	I101-L105 HydrophobicContact CG2-CD1 4.01Å; I101-L105 HydrophobicContact CG2-CG 4.41Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.87Å; K102-L105 PolarHBondContact O-N 3.41Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.85Å; L105-Y107 VanDerWaalsContact C-N 3.32Å; L105-Y107 WeakPolarHBondContact O-CD2 3.45Å
106	N	93.5	Very high	95	Very high	68 Å²	68	67 Å²	67	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-76.1	-20.6	170.6	-70.7	-24.2	0	0	0	112.5	K102 D103 F104 D108	K102-N106 PolarHBondContact O-N 3.31Å; D103-N106 WeakPolarHBondContact O-CB 3.41Å; D103-N106 PolarHBondContact O-N 2.89Å; F104-N106 PolarHBondContact O-N 3.06Å; N106-D108 VanDerWaalsContact C-N 3.3Å; N106-D108 PolarHBondContact O-N 2.9Å
107	Y	93.8	Very high	94.9	Very high	64 Å²	64	71.2 Å²	71.2	25%	0.251	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	42.1	-177.4	-63.5	-89.1	0	0	0	113.5	F104 L105 V109 P328 K329 L551	F104-Y107 PolarHBondContact O-N 3.11Å; L105-Y107 VanDerWaalsContact C-N 3.32Å; L105-Y107 WeakPolarHBondContact O-CD2 3.45Å; Y107-V109 PolarHBondContact O-N 3.16Å; Y107-P328 HydrophobicContact CE1-CG 4.11Å; Y107-P328 HydrophobicContact CE2-CB 4.29Å; Y107-P328 HydrophobicContact CE2-CG 4.06Å; Y107-K329 HydrophobicContact CD2-CG 3.93Å; Y107-L551 HydrophobicContact CD1-CD2 4.25Å
108	D	94.8	Very high	94.5	Very high	73 Å²	73	75.6 Å²	75.6	39%	0.39	40%	0.403	S	S	.	.			trans	-63	137.5	177.9	-71.3	-35.4	0	0	0	111.5	N106 V552	N106-D108 VanDerWaalsContact C-N 3.3Å; N106-D108 PolarHBondContact O-N 2.9Å; D108-V552 HydrophobicContact CB-CB 4.46Å; D108-V552 HydrophobicContact CB-CG2 4.26Å; D108-V552 WeakPolarHBondContact O-CG2 3.49Å; D108-V552 PolarHBondContact O-N 3.02Å
109	V	94.2	Very high	94.1	Very high	33 Å²	33	74.7 Å²	74.7	20%	0.2	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	146.2	-176.7	-64.4	0	0	0	0	111.3	Y107 L325 T327 E549 K550 L551	Y107-V109 PolarHBondContact O-N 3.16Å; V109-L325 HydrophobicContact CG1-CB 4.45Å; V109-L325 HydrophobicContact CG1-CD2 4.12Å; V109-T327 HydrophobicContact CG1-CG2 4.09Å; V109-E549 HydrophobicContact CB-CB 4.44Å; V109-K550 CarbonylContact C-O 3.57Å; V109-K550 VanDerWaalsContact CA-O 3.29Å; V109-K550 WeakPolarHBondContact CA-O 3.35Å; V109-L551 HydrophobicContact CG1-CD2 4.36Å
110	T	95.3	Very high	93.5	Very high	76 Å²	76	75.4 Å²	75.4	47%	0.466	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.6	171.5	179.3	0	0	0	0	109.8	E549 K550 V552	T110-E549 WeakPolarHBondContact O-CA 3.28Å; T110-K550 HydrophobicContact CG2-CB 4.47Å; T110-K550 PolarHBondContact N-O 2.9Å; T110-K550 PolarHBondContact O-N 3.41Å; T110-V552 HydrophobicContact CG2-CG2 4.09Å
111	V	96.5	Very high	93.3	Very high	64 Å²	64	74.2 Å²	74.2	39%	0.388	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.3	-179.6	-177.7	0	0	0	0	109.3	W322 K547 E549	V111-W322 HydrophobicContact CG1-CZ3 4.04Å; V111-W322 HydrophobicContact CG2-CZ3 4.3Å; V111-K547 HydrophobicContact CG1-CB 3.96Å; V111-K547 HydrophobicContact CG1-CG 4.37Å; V111-E549 HydrophobicContact CG2-CG 4.17Å
112	N	96	Very high	93.2	Very high	51 Å²	51	71 Å²	71	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.6	172.3	175.6	46.7	0	0	0	109.2	Q114 T548 K550	N112-Q114 PolarHBondContact ND2-NE2 3.44Å; N112-Q114 VanDerWaalsContact ND2-NE2 3.1Å; N112-T548 PolarHBondContact N-O 3.47Å; N112-T548 PolarHBondContact O-N 2.91Å; N112-T548 PolarHBondContact O-OG1 3.3Å; N112-K550 HydrophobicContact CB-CD 4.38Å; N112-K550 PolarHBondContact ND2-NZ 2.81Å
113	T	96.6	Very high	93.2	Very high	80 Å²	80	64.7 Å²	64.7	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.3	178.6	-55.3	0	0	0	0	109.6	I545 E546 K547	T113-I545 HydrophobicContact CG2-CG2 3.6Å; T113-E546 CarbonylContact C-O 3.59Å; T113-E546 WeakPolarHBondContact CA-O 3.4Å; T113-K547 HydrophobicContact CG2-CG 4.14Å
114	Q	96	Very high	93.3	Very high	92 Å²	92	60.8 Å²	60.8	43%	0.43	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136	179.2	-64.4	-177.4	-29.1	0	0	109.4	N112 E546	N112-Q114 PolarHBondContact ND2-NE2 3.44Å; N112-Q114 VanDerWaalsContact ND2-NE2 3.1Å; Q114-E546 PolarHBondContact N-O 2.82Å; Q114-E546 PolarHBondContact O-N 3.3Å
115	L	95.3	Very high	93.4	Very high	102 Å²	102	59 Å²	59	53%	0.534	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.8	169.7	-177.4	68.9	0	0	0	108.1	L117 I545	L115-L117 HydrophobicContact CD2-CD2 3.78Å; L115-L117 HydrophobicContact CG-CD2 4.1Å; L115-I545 HydrophobicContact CD1-CG1 3.91Å
116	I	94.3	Very high	93.6	Very high	52 Å²	52	54.9 Å²	54.9	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.3	174.5	-48.1	-179.5	0	0	0	107.3	N119 S543 T544 E546	I116-N119 HydrophobicContact CB-CB 3.95Å; I116-N119 HydrophobicContact CG2-CB 3.62Å; I116-S543 VanDerWaalsContact O-CA 3.29Å; I116-S543 WeakPolarHBondContact O-CA 3.49Å; I116-S543 WeakPolarHBondContact O-CB 3.31Å; I116-T544 PolarHBondContact N-O 2.9Å; I116-T544 PolarHBondContact O-N 3.35Å; I116-E546 HydrophobicContact CD1-CB 3.61Å; I116-E546 HydrophobicContact CD1-CG 4.22Å; I116-E546 HydrophobicContact CG1-CB 4.04Å
117	L	92.3	Very high	93.8	Very high	120 Å²	120	51.6 Å²	51.6	63%	0.628	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	143.7	178	-59.2	174.5	0	0	0	110.4	L115 N119 S543	L115-L117 HydrophobicContact CD2-CD2 3.78Å; L115-L117 HydrophobicContact CG-CD2 4.1Å; L117-N119 PolarHBondContact O-N 3.49Å; L117-S543 WeakPolarHBondContact CD2-OG 3.46Å
118	D	86.7	Confident	94	Very high	117 Å²	117	48.6 Å²	48.6	63%	0.626	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	32.7	176.6	-54.3	-28.2	0	0	0	114.9
119	N	87.4	Confident	94.1	Very high	41 Å²	41	45.1 Å²	45.1	22%	0.219	25%	0.245	C	C	.	.			trans	-90.9	113	178	-171.7	14	0	0	0	110.9	I116 L117 S121 Q542 T544	I116-N119 HydrophobicContact CB-CB 3.95Å; I116-N119 HydrophobicContact CG2-CB 3.62Å; L117-N119 PolarHBondContact O-N 3.49Å; N119-S121 PolarHBondContact O-N 2.71Å; N119-Q542 PolarHBondContact N-O 3.27Å; N119-T544 PolarHBondContact O-OG1 2.71Å; N119-T544 VanDerWaalsContact O-OG1 3.09Å
120	I	83.9	Confident	94.2	Very high	113 Å²	113	43.7 Å²	43.7	58%	0.579	24%	0.236	S	C	*	.			trans	-65.2	103.7	178.1	-56.5	169.5	0	0	0	109.3	N252	I120-N252 HydrophobicContact CG2-CB 3.59Å; I120-N252 WeakPolarHBondContact CG2-O 3.38Å
121	S	91.3	Very high	94.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-92.7	153.6	166.2	44.4	0	0	0	0	111.2	N119 P319 R539 T544	N119-S121 PolarHBondContact O-N 2.71Å; S121-P319 WeakPolarHBondContact OG-CG 3.35Å; S121-R539 PolarHBondContact O-NH1 3.01Å; S121-R539 PolarHBondContact O-NH2 3.36Å; S121-R539 PolarHBondContact OG-NH1 3.13Å; S121-R539 PolarHBondContact OG-NH2 2.92Å; S121-T544 WeakPolarHBondContact CB-OG1 3.38Å; S121-T544 PolarHBondContact OG-OG1 3.44Å
122	P	93.4	Very high	94	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.039	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-68.5	134.8	175.9	28.6	-35.2	0	0	0	110.8	M248 A251 N252 Y431	P122-M248 HydrophobicContact CB-CE 3.81Å; P122-M248 HydrophobicContact CB-SD 4.29Å; P122-M248 HydrophobicContact CG-CE 3.97Å; P122-A251 HydrophobicContact CB-CB 3.78Å; P122-N252 WeakPolarHBondContact CA-OD1 3.26Å; P122-Y431 HydrophobicContact CG-CD2 4.29Å; P122-Y431 HydrophobicContact CG-CE2 3.96Å
123	F	94.5	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-63.4	135.5	171.1	-163.6	-84	0	0	0	110.4	Y227 A251 T254 L257 Y317 L537	F123-Y227 WeakPolarHBondContact CD1-OH 3.41Å; F123-Y227 WeakPolarHBondContact CE1-OH 3.5Å; F123-A251 WeakPolarHBondContact CB-O 3.45Å; F123-A251 PolarHBondContact N-O 2.75Å; F123-T254 HydrophobicContact CB-CG2 4.34Å; F123-T254 HydrophobicContact CD1-CG2 4.18Å; F123-T254 HydrophobicContact CD2-CG2 3.85Å; F123-T254 VanDerWaalsContact CD2-O 3.3Å; F123-T254 WeakPolarHBondContact CD2-O 3.07Å; F123-T254 HydrophobicContact CE1-CG2 4.42Å; F123-T254 HydrophobicContact CE2-CG2 4.13Å; F123-T254 HydrophobicContact CG-CG2 3.87Å; F123-T254 HydrophobicContact CZ-CG2 4.39Å; F123-L257 HydrophobicContact CE1-CB 3.83Å; F123-L257 HydrophobicContact CE1-CD2 4.39Å; F123-L257 HydrophobicContact CZ-CB 3.72Å; F123-Y317 HydrophobicContact CD2-CE1 4.21Å; F123-Y317 WeakPolarHBondContact CD2-OH 3.47Å; F123-Y317 AromaticContact CE2-CE1 3.88Å; F123-Y317 HydrophobicContact CE2-CE1 3.88Å; F123-Y317 HydrophobicContact CZ-CE1 4.34Å; F123-L537 HydrophobicContact CE1-CD2 3.59Å; F123-L537 HydrophobicContact CE1-CG 4.1Å; F123-L537 HydrophobicContact CZ-CB 4.24Å; F123-L537 HydrophobicContact CZ-CD2 3.73Å; F123-L537 HydrophobicContact CZ-CG 3.68Å
124	P	96	Very high	93.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-73.5	169.5	-174.2	28.6	-35.3	0	0	0	113.4	I291 Y317 Y433 L537	P124-I291 HydrophobicContact CB-CG2 3.37Å; P124-I291 HydrophobicContact CG-CG2 3.38Å; P124-Y317 VanDerWaalsContact CD-CZ 3.42Å; P124-Y317 WeakPolarHBondContact CD-OH 3.37Å; P124-Y317 HydrophobicContact CG-CD1 4.39Å; P124-Y317 HydrophobicContact CG-CE1 4.05Å; P124-Y317 HydrophobicContact CG-CE2 4.28Å; P124-Y433 HydrophobicContact CB-CD1 4Å; P124-Y433 HydrophobicContact CB-CD2 4.08Å; P124-Y433 HydrophobicContact CB-CE1 3.71Å; P124-Y433 HydrophobicContact CB-CE2 3.8Å; P124-Y433 HydrophobicContact CB-CG 4.17Å; P124-Y433 HydrophobicContact CG-CD1 4.11Å; P124-Y433 HydrophobicContact CG-CE1 4.08Å; P124-L537 HydrophobicContact CG-CD2 4.25Å
125	S	96.6	Very high	93.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.2	164.3	-58.1	0	0	0	0	110.8	F243 E244 I291 H292 I294	S125-F243 VanDerWaalsContact CA-O 3.28Å; S125-F243 WeakPolarHBondContact CA-O 3.46Å; S125-E244 WeakPolarHBondContact OG-CG 3.33Å; S125-I291 WeakPolarHBondContact O-CA 3.42Å; S125-H292 PolarHBondContact N-O 3.46Å; S125-H292 PolarHBondContact O-N 3.02Å; S125-I294 WeakPolarHBondContact OG-CA 3.41Å
126	L	97.5	Very high	93.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.2	176.2	178.5	63.8	0	0	0	109.5	V128 T242 F243 L257 L259 V289 I291 L537	L126-V128 HydrophobicContact CD2-CG2 4.29Å; L126-V128 HydrophobicContact CG-CG2 4.05Å; L126-T242 CarbonylContact O-C 3.52Å; L126-T242 WeakPolarHBondContact O-CA 3.31Å; L126-F243 PolarHBondContact N-O 2.87Å; L126-F243 PolarHBondContact O-N 2.9Å; L126-L257 HydrophobicContact CB-CD2 4.31Å; L126-L257 HydrophobicContact CD2-CD2 4.16Å; L126-L259 HydrophobicContact CD2-CD1 3.83Å; L126-V289 HydrophobicContact CD1-CB 4.16Å; L126-I291 HydrophobicContact CD1-CG1 4.26Å; L126-L537 HydrophobicContact CB-CD2 3.96Å; L126-L537 HydrophobicContact CD1-CD2 4.33Å; L126-L537 HydrophobicContact CD2-CB 4.37Å; L126-L537 HydrophobicContact CD2-CD2 4.23Å; L126-L537 HydrophobicContact CG-CD2 4.4Å
127	T	97.8	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.3	171.1	-65	0	0	0	0	110	L232 C240 Y241 T242 V289 V290 H292 P298	T127-L232 HydrophobicContact CG2-CD2 4.39Å; T127-C240 HydrophobicContact CG2-CB 4.11Å; T127-Y241 WeakPolarHBondContact CA-O 3.18Å; T127-T242 WeakPolarHBondContact OG1-CB 3.24Å; T127-T242 WeakPolarHBondContact OG1-CG2 3.47Å; T127-T242 PolarHBondContact OG1-OG1 3.43Å; T127-V289 CarbonylContact O-C 3.6Å; T127-V289 WeakPolarHBondContact O-CA 3.35Å; T127-V290 PolarHBondContact N-O 3.13Å; T127-V290 PolarHBondContact O-N 3.1Å; T127-H292 PolarHBondContact OG1-NE2 3.48Å; T127-P298 HydrophobicContact CG2-CB 4.13Å; T127-P298 HydrophobicContact CG2-CG 3.91Å
128	V	97.6	Very high	93.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.3	178.7	-176.4	0	0	0	0	109.5	L126 F204 C240 Y241 L259 L287 V289	L126-V128 HydrophobicContact CD2-CG2 4.29Å; L126-V128 HydrophobicContact CG-CG2 4.05Å; V128-F204 HydrophobicContact CB-CE1 4.31Å; V128-F204 HydrophobicContact CB-CZ 4.21Å; V128-F204 HydrophobicContact CG1-CE1 4.21Å; V128-F204 HydrophobicContact CG1-CZ 4.35Å; V128-F204 HydrophobicContact CG2-CE1 4.48Å; V128-C240 WeakPolarHBondContact O-CA 3.33Å; V128-Y241 PolarHBondContact N-O 2.89Å; V128-Y241 PolarHBondContact O-N 2.93Å; V128-L259 HydrophobicContact CG2-CD1 3.97Å; V128-L287 HydrophobicContact CG1-CB 4.39Å; V128-L287 HydrophobicContact CG1-CD1 3.94Å; V128-L287 HydrophobicContact CG1-CD2 4.36Å; V128-L287 HydrophobicContact CG1-CG 4.47Å; V128-V289 HydrophobicContact CB-CG1 4.36Å; V128-V289 HydrophobicContact CG1-CG1 4.14Å; V128-V289 HydrophobicContact CG2-CG1 4.06Å
129	C	97.3	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	175.1	-59.1	0	0	0	0	109.7	Y237 C240 L287 R288 L300	C129-Y237 HydrophobicContact CB-CD1 4.5Å; C129-Y237 HydrophobicContact CB-CD2 4.14Å; C129-Y237 HydrophobicContact CB-CG 3.9Å; C129-C240 HydrophobicContact CB-CB 4.08Å; C129-C240 WeakPolarHBondContact CB-SG 3.31Å; C129-C240 WeakPolarHBondContact SG-CB 3.47Å; C129-C240 CovalentContact SG-SG 2.02Å; C129-C240 PolarHBondContact SG-SG 2.83Å; C129-L287 CarbonylContact O-C 3.49Å; C129-L287 VanDerWaalsContact O-CA 3.28Å; C129-L287 WeakPolarHBondContact O-CA 3.41Å; C129-L287 WeakPolarHBondContact O-CB 3.26Å; C129-R288 HydrophobicContact CB-CB 4.33Å; C129-R288 PolarHBondContact N-O 3.21Å; C129-R288 PolarHBondContact O-N 2.89Å; C129-L300 HydrophobicContact CB-CD2 4.4Å; C129-L300 VanDerWaalsContact SG-CD1 3.51Å; C129-L300 WeakPolarHBondContact SG-CD2 3.46Å
130	H	95.9	Very high	94.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.5	168.7	-73.3	56.6	0	0	0	110.2	P132 H199 I203 Y237 G262 L263 L287	H130-P132 VanDerWaalsContact CB-O 3.29Å; H130-P132 WeakPolarHBondContact CB-O 3.29Å; H130-H199 VanDerWaalsContact CB-CD2 3.41Å; H130-H199 WeakPolarHBondContact CB-CD2 3.23Å; H130-H199 AromaticContact CD2-CD2 3.72Å; H130-H199 AromaticContact CD2-CE1 3.91Å; H130-H199 AromaticContact CD2-NE2 3.59Å; H130-H199 AromaticContact CG-CD2 3.34Å; H130-H199 AromaticContact CG-CG 3.92Å; H130-H199 AromaticContact CG-NE2 3.6Å; H130-H199 AromaticContact ND1-CD2 3.9Å; H130-I203 WeakPolarHBondContact CE1-CD1 3.31Å; H130-Y237 VanDerWaalsContact O-CD1 3.26Å; H130-Y237 WeakPolarHBondContact O-CD1 3.47Å; H130-G262 PolarHBondContact NE2-O 3.22Å; H130-L263 PolarHBondContact CD2-O 2.74Å; H130-L287 HydrophobicContact CB-CD2 4.42Å
131	Q	93.9	Very high	94.9	Very high	22 Å²	22	25.5 Å²	25.5	10%	0.103	12%	0.116	C	C	.	.	S	Bend	trans	-70.2	-49.8	174.7	-69	-174.9	-56.1	0	0	111.7	P133 A284 R285 G286 R288 H306	Q131-P133 VanDerWaalsContact O-CD 3.3Å; Q131-P133 WeakPolarHBondContact O-CD 3.22Å; Q131-A284 WeakPolarHBondContact CB-O 3.45Å; Q131-A284 VanDerWaalsContact CD-CB 3.46Å; Q131-A284 VanDerWaalsContact OE1-CB 3.22Å; Q131-R285 PolarHBondContact OE1-O 3.41Å; Q131-G286 PolarHBondContact N-O 3.27Å; Q131-G286 VanDerWaalsContact N-O 3.09Å; Q131-R288 HydrophobicContact CG-CB 4.4Å; Q131-H306 PolarHBondContact NE2-CE1 3.17Å; Q131-H306 VanDerWaalsContact NE2-CE1 3.29Å; Q131-H306 PolarHBondContact NE2-ND1 2.93Å
132	P	93.4	Very high	95.1	Very high	39 Å²	39	25.9 Å²	25.9	25%	0.253	12%	0.118	S	C	.	.	S	Bend	trans	-74.9	112.8	161.1	-14.1	30.6	0	0	0	108.8	H130 F134 H199	H130-P132 VanDerWaalsContact CB-O 3.29Å; H130-P132 WeakPolarHBondContact CB-O 3.29Å; P132-F134 VanDerWaalsContact C-N 3.32Å; P132-F134 PolarHBondContact O-N 3.44Å; P132-H199 PolarHBondContact O-NE2 2.98Å
133	P	94.3	Very high	95.1	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.052	14%	0.144	C	C	.	.			trans	-79.2	-17.3	-167.8	35.8	-43	0	0	0	113.4	Q131 L182 G198 H199 Y237 L238	Q131-P133 VanDerWaalsContact O-CD 3.3Å; Q131-P133 WeakPolarHBondContact O-CD 3.22Å; P133-L182 HydrophobicContact CG-CD1 4.16Å; P133-L182 HydrophobicContact CG-CD2 3.75Å; P133-G198 WeakPolarHBondContact O-CA 3.49Å; P133-H199 PolarHBondContact O-CD2 3.1Å; P133-Y237 WeakPolarHBondContact CB-O 3.41Å; P133-L238 HydrophobicContact CB-CB 4.04Å; P133-L238 HydrophobicContact CB-CD1 3.56Å; P133-L238 HydrophobicContact CB-CG 4.24Å; P133-L238 HydrophobicContact CG-CD1 3.83Å
134	F	94.8	Very high	95.2	Very high	16 Å²	16	35.1 Å²	35.1	7%	0.07	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-91.6	132.3	-167.7	-58.6	-63.7	0	0	0	112.6	P132 A138 Y139 W142 P150 L182 Y185 L197 H199 L238 F276	P132-F134 VanDerWaalsContact C-N 3.32Å; P132-F134 PolarHBondContact O-N 3.44Å; F134-A138 HydrophobicContact CB-CB 3.96Å; F134-A138 HydrophobicContact CD1-CB 4.27Å; F134-A138 HydrophobicContact CG-CB 4.49Å; F134-Y139 HydrophobicContact CB-CE2 4.16Å; F134-W142 HydrophobicContact CB-CH2 3.99Å; F134-W142 AromaticContact CD1-CH2 3.55Å; F134-W142 HydrophobicContact CD1-CH2 3.55Å; F134-W142 AromaticContact CD1-CZ2 3.64Å; F134-W142 HydrophobicContact CD1-CZ2 3.64Å; F134-W142 AromaticContact CD2-CH2 3.72Å; F134-W142 HydrophobicContact CD2-CH2 3.72Å; F134-W142 AromaticContact CE1-CH2 3.86Å; F134-W142 HydrophobicContact CE1-CH2 3.86Å; F134-W142 AromaticContact CE1-CZ2 3.68Å; F134-W142 HydrophobicContact CE1-CZ2 3.68Å; F134-W142 HydrophobicContact CE2-CH2 4.02Å; F134-W142 AromaticContact CG-CH2 3.47Å; F134-W142 HydrophobicContact CG-CH2 3.47Å; F134-W142 VanDerWaalsContact CG-CH2 3.47Å; F134-W142 HydrophobicContact CG-CZ2 4.07Å; F134-W142 HydrophobicContact CG-CZ3 4.47Å; F134-W142 HydrophobicContact CZ-CH2 4.07Å; F134-W142 HydrophobicContact CZ-CZ2 4.14Å; F134-P150 HydrophobicContact CZ-CG 4.41Å; F134-L182 HydrophobicContact CE1-CD1 4.35Å; F134-L182 HydrophobicContact CE2-CD1 3.85Å; F134-L182 HydrophobicContact CZ-CD1 3.41Å; F134-L182 VanDerWaalsContact CZ-CD1 3.41Å; F134-Y185 HydrophobicContact CE1-CE1 4.03Å; F134-Y185 HydrophobicContact CZ-CD1 4.28Å; F134-Y185 AromaticContact CZ-CE1 3.9Å; F134-Y185 HydrophobicContact CZ-CE1 3.9Å; F134-L197 HydrophobicContact CD1-CB 4.2Å; F134-L197 HydrophobicContact CE1-CB 4.49Å; F134-H199 PolarHBondContact O-CE1 3.1Å; F134-H199 VanDerWaalsContact O-CE1 3.27Å; F134-H199 PolarHBondContact O-NE2 2.97Å; F134-L238 HydrophobicContact CD1-CD2 4Å; F134-L238 HydrophobicContact CE1-CD1 4.21Å; F134-L238 HydrophobicContact CE1-CD2 3.78Å; F134-F276 AromaticContact CE2-CE2 3.75Å; F134-F276 HydrophobicContact CE2-CE2 3.75Å; F134-F276 AromaticContact CZ-CE2 3.93Å; F134-F276 HydrophobicContact CZ-CE2 3.93Å; F134-F276 HydrophobicContact CZ-CZ 4.25Å
135	S	93.9	Very high	95	Very high	15 Å²	15	39.1 Å²	39.1	11%	0.105	19%	0.192	C	C	.	.			trans	-84.8	167	175.1	68.7	0	0	0	0	112.5	K137 A138 Y139 L197 G198	S135-K137 PolarHBondContact O-N 3.27Å; S135-K137 PolarHBondContact OG-N 3.03Å; S135-A138 VanDerWaalsContact O-CB 3.23Å; S135-A138 WeakPolarHBondContact O-CB 3.5Å; S135-A138 PolarHBondContact O-N 2.64Å; S135-Y139 WeakPolarHBondContact O-CD2 3.42Å; S135-L197 PolarHBondContact N-O 2.82Å; S135-L197 PolarHBondContact OG-O 2.83Å; S135-G198 WeakPolarHBondContact CB-O 2.99Å; S135-G198 PolarHBondContact OG-O 2.87Å; S135-G198 VanDerWaalsContact OG-O 3.09Å
136	Y	91.4	Very high	95	Very high	130 Å²	130	45.9 Å²	45.9	51%	0.51	22%	0.221	S	C	.	.	H	α-helix	trans	-52.4	-30.2	170	-73	-77.7	0	0	0	113.1	A138 K140 P265	Y136-A138 VanDerWaalsContact C-N 3.33Å; Y136-A138 PolarHBondContact O-N 3.12Å; Y136-K140 PolarHBondContact O-N 3.4Å; Y136-P265 HydrophobicContact CD1-CB 3.92Å; Y136-P265 HydrophobicContact CD1-CG 4.41Å; Y136-P265 HydrophobicContact CE1-CB 3.56Å; Y136-P265 HydrophobicContact CE1-CG 4.44Å; Y136-P265 HydrophobicContact CE2-CB 4.3Å; Y136-P265 HydrophobicContact CG-CB 4.45Å; Y136-P265 VanDerWaalsContact CZ-CA 3.43Å; Y136-P265 WeakPolarHBondContact OH-CA 3.39Å
137	K	93.4	Very high	94.9	Very high	108 Å²	108	46.4 Å²	46.4	47%	0.47	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-34.6	177.1	-172.5	179	177.8	-179.3	0	111.8	S135 K140 L141	S135-K137 PolarHBondContact O-N 3.27Å; S135-K137 PolarHBondContact OG-N 3.03Å; K137-K140 PolarHBondContact O-N 3.32Å; K137-L141 HydrophobicContact CG-CD1 3.98Å; K137-L141 HydrophobicContact CG-CG 4.33Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 2.92Å; K137-L141 PolarHBondContact O-N 3.37Å
138	A	95.5	Very high	94.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-51.1	177.1	0	0	0	0	0	111.6	F134 S135 Y136 K140 L141 W142 L197	F134-A138 HydrophobicContact CB-CB 3.96Å; F134-A138 HydrophobicContact CD1-CB 4.27Å; F134-A138 HydrophobicContact CG-CB 4.49Å; S135-A138 VanDerWaalsContact O-CB 3.23Å; S135-A138 WeakPolarHBondContact O-CB 3.5Å; S135-A138 PolarHBondContact O-N 2.64Å; Y136-A138 VanDerWaalsContact C-N 3.33Å; Y136-A138 PolarHBondContact O-N 3.12Å; A138-K140 VanDerWaalsContact C-N 3.3Å; A138-K140 PolarHBondContact O-N 3.07Å; A138-L141 PolarHBondContact O-N 3Å; A138-W142 HydrophobicContact CB-CD2 4.5Å; A138-W142 HydrophobicContact CB-CE3 4.49Å; A138-W142 HydrophobicContact CB-CH2 3.95Å; A138-W142 HydrophobicContact CB-CZ2 3.94Å; A138-W142 HydrophobicContact CB-CZ3 4.21Å; A138-W142 VanDerWaalsContact O-CG 3.29Å; A138-W142 PolarHBondContact O-N 3.35Å; A138-L197 HydrophobicContact CB-CB 4.24Å; A138-L197 HydrophobicContact CB-CD2 3.79Å
139	Y	94.4	Very high	94.7	Very high	36 Å²	36	48 Å²	48	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-39.7	178.1	-63	-87.3	0	0	0	112.4	F134 S135 W142 N143 P265 I270 Q273	F134-Y139 HydrophobicContact CB-CE2 4.16Å; S135-Y139 WeakPolarHBondContact O-CD2 3.42Å; Y139-W142 AromaticContact CD1-CE3 3.91Å; Y139-W142 HydrophobicContact CD1-CE3 3.91Å; Y139-W142 AromaticContact CD1-CZ3 3.79Å; Y139-W142 HydrophobicContact CD1-CZ3 3.79Å; Y139-W142 HydrophobicContact CD2-CZ3 4.44Å; Y139-W142 HydrophobicContact CE1-CE3 4.22Å; Y139-W142 AromaticContact CE1-CZ3 3.67Å; Y139-W142 HydrophobicContact CE1-CZ3 3.67Å; Y139-W142 HydrophobicContact CE2-CZ3 4.31Å; Y139-W142 HydrophobicContact CG-CE3 4.23Å; Y139-W142 HydrophobicContact CG-CZ3 4.17Å; Y139-W142 AromaticContact CZ-CZ3 3.91Å; Y139-W142 PolarHBondContact O-N 2.93Å; Y139-N143 WeakPolarHBondContact O-CB 3.19Å; Y139-N143 PolarHBondContact O-N 3.4Å; Y139-N143 PolarHBondContact O-OD1 3.01Å; Y139-P265 HydrophobicContact CE2-CG 3.92Å; Y139-I270 HydrophobicContact CD1-CB 3.99Å; Y139-I270 HydrophobicContact CD1-CD1 4.45Å; Y139-I270 HydrophobicContact CD1-CG2 4.21Å; Y139-I270 HydrophobicContact CD2-CG2 4.05Å; Y139-I270 HydrophobicContact CE1-CB 3.85Å; Y139-I270 HydrophobicContact CE1-CD1 3.49Å; Y139-I270 VanDerWaalsContact CE1-CD1 3.49Å; Y139-I270 HydrophobicContact CE1-CG1 4.16Å; Y139-I270 HydrophobicContact CE1-CG2 4.26Å; Y139-I270 HydrophobicContact CE2-CD1 3.96Å; Y139-I270 HydrophobicContact CE2-CG2 4.13Å; Y139-I270 HydrophobicContact CG-CB 4.41Å; Y139-I270 HydrophobicContact CG-CG2 4.12Å; Y139-I270 WeakPolarHBondContact OH-CD1 3.42Å; Y139-Q273 HydrophobicContact CE1-CG 4.39Å
140	K	94	Very high	94.6	Very high	133 Å²	133	48 Å²	48	58%	0.578	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-42.4	173.8	-174.9	175.9	-179.9	175.1	0	112	Y136 K137 A138 Q144	Y136-K140 PolarHBondContact O-N 3.4Å; K137-K140 PolarHBondContact O-N 3.32Å; A138-K140 VanDerWaalsContact C-N 3.3Å; A138-K140 PolarHBondContact O-N 3.07Å; K140-Q144 WeakPolarHBondContact O-CB 3.31Å; K140-Q144 WeakPolarHBondContact O-CG 3.44Å; K140-Q144 PolarHBondContact O-N 3.38Å; K140-Q144 VanDerWaalsContact O-N 3.1Å
141	L	96.3	Very high	94.6	Very high	20 Å²	20	49 Å²	49	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-37.7	180	-68.7	170	0	0	0	112.1	K137 A138 Q144 S145 K146 I147 L196 L197	K137-L141 HydrophobicContact CG-CD1 3.98Å; K137-L141 HydrophobicContact CG-CG 4.33Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 2.92Å; K137-L141 PolarHBondContact O-N 3.37Å; A138-L141 PolarHBondContact O-N 3Å; L141-Q144 CarbonylContact O-C 3.55Å; L141-Q144 PolarHBondContact O-N 3.03Å; L141-S145 PolarHBondContact O-N 3.18Å; L141-K146 HydrophobicContact CD2-CB 4.32Å; L141-K146 HydrophobicContact CD2-CD 3.92Å; L141-K146 PolarHBondContact O-N 3.39Å; L141-I147 HydrophobicContact CB-CD1 4.23Å; L141-I147 HydrophobicContact CD1-CD1 3.72Å; L141-I147 HydrophobicContact CG-CD1 4.43Å; L141-L196 HydrophobicContact CD1-CB 4.21Å; L141-L197 HydrophobicContact CD1-CD2 4.41Å
142	W	96.3	Very high	94.7	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-44.2	174.7	-61.7	-31	0	0	0	112.5	F134 A138 Y139 Q144 S145 P150 Y185 L197 Q273	F134-W142 HydrophobicContact CB-CH2 3.99Å; F134-W142 AromaticContact CD1-CH2 3.55Å; F134-W142 HydrophobicContact CD1-CH2 3.55Å; F134-W142 AromaticContact CD1-CZ2 3.64Å; F134-W142 HydrophobicContact CD1-CZ2 3.64Å; F134-W142 AromaticContact CD2-CH2 3.72Å; F134-W142 HydrophobicContact CD2-CH2 3.72Å; F134-W142 AromaticContact CE1-CH2 3.86Å; F134-W142 HydrophobicContact CE1-CH2 3.86Å; F134-W142 AromaticContact CE1-CZ2 3.68Å; F134-W142 HydrophobicContact CE1-CZ2 3.68Å; F134-W142 HydrophobicContact CE2-CH2 4.02Å; F134-W142 AromaticContact CG-CH2 3.47Å; F134-W142 HydrophobicContact CG-CH2 3.47Å; F134-W142 VanDerWaalsContact CG-CH2 3.47Å; F134-W142 HydrophobicContact CG-CZ2 4.07Å; F134-W142 HydrophobicContact CG-CZ3 4.47Å; F134-W142 HydrophobicContact CZ-CH2 4.07Å; F134-W142 HydrophobicContact CZ-CZ2 4.14Å; A138-W142 HydrophobicContact CB-CD2 4.5Å; A138-W142 HydrophobicContact CB-CE3 4.49Å; A138-W142 HydrophobicContact CB-CH2 3.95Å; A138-W142 HydrophobicContact CB-CZ2 3.94Å; A138-W142 HydrophobicContact CB-CZ3 4.21Å; A138-W142 VanDerWaalsContact O-CG 3.29Å; A138-W142 PolarHBondContact O-N 3.35Å; Y139-W142 AromaticContact CD1-CE3 3.91Å; Y139-W142 HydrophobicContact CD1-CE3 3.91Å; Y139-W142 AromaticContact CD1-CZ3 3.79Å; Y139-W142 HydrophobicContact CD1-CZ3 3.79Å; Y139-W142 HydrophobicContact CD2-CZ3 4.44Å; Y139-W142 HydrophobicContact CE1-CE3 4.22Å; Y139-W142 AromaticContact CE1-CZ3 3.67Å; Y139-W142 HydrophobicContact CE1-CZ3 3.67Å; Y139-W142 HydrophobicContact CE2-CZ3 4.31Å; Y139-W142 HydrophobicContact CG-CE3 4.23Å; Y139-W142 HydrophobicContact CG-CZ3 4.17Å; Y139-W142 AromaticContact CZ-CZ3 3.91Å; Y139-W142 PolarHBondContact O-N 2.93Å; W142-Q144 PolarHBondContact O-N 3.16Å; W142-S145 WeakPolarHBondContact O-CA 3.43Å; W142-S145 PolarHBondContact O-N 2.85Å; W142-P150 HydrophobicContact CH2-CG 3.74Å; W142-P150 VanDerWaalsContact CZ2-CD 3.46Å; W142-P150 HydrophobicContact CZ2-CG 3.63Å; W142-P150 HydrophobicContact CZ3-CG 4.32Å; W142-Y185 PolarHBondContact NE1-OH 3.31Å; W142-L197 HydrophobicContact CZ2-CD1 4.48Å; W142-L197 HydrophobicContact CZ2-CD2 4.21Å; W142-Q273 HydrophobicContact CE3-CG 3.78Å; W142-Q273 HydrophobicContact CH2-CG 4.4Å; W142-Q273 HydrophobicContact CZ3-CG 3.61Å
143	N	92.9	Very high	94.8	Very high	109 Å²	109	49.7 Å²	49.7	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-61.3	-32.6	175.7	-72.4	-6.4	0	0	0	111.9	Y139 S145	Y139-N143 WeakPolarHBondContact O-CB 3.19Å; Y139-N143 PolarHBondContact O-N 3.4Å; Y139-N143 PolarHBondContact O-OD1 3.01Å; N143-S145 VanDerWaalsContact C-N 3.26Å; N143-S145 PolarHBondContact O-N 2.04Å
144	Q	95.2	Very high	94.9	Very high	91 Å²	91	49.7 Å²	49.7	43%	0.425	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	1	174.5	-67.6	178.7	-6.4	0	0	113.5	K140 L141 W142 K146	K140-Q144 WeakPolarHBondContact O-CB 3.31Å; K140-Q144 WeakPolarHBondContact O-CG 3.44Å; K140-Q144 PolarHBondContact O-N 3.38Å; K140-Q144 VanDerWaalsContact O-N 3.1Å; L141-Q144 CarbonylContact O-C 3.55Å; L141-Q144 PolarHBondContact O-N 3.03Å; W142-Q144 PolarHBondContact O-N 3.16Å; Q144-K146 HydrophobicContact CB-CD 4.11Å; Q144-K146 HydrophobicContact CB-CG 3.98Å; Q144-K146 PolarHBondContact O-N 3.07Å; Q144-K146 VanDerWaalsContact O-N 3.1Å; Q144-K146 VanDerWaalsContact OE1-CE 3.25Å
145	S	93.2	Very high	94.9	Very high	84 Å²	84	53.7 Å²	53.7	59%	0.587	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	31.3	-175.6	-60.8	0	0	0	0	114.1	L141 W142 N143	L141-S145 PolarHBondContact O-N 3.18Å; W142-S145 WeakPolarHBondContact O-CA 3.43Å; W142-S145 PolarHBondContact O-N 2.85Å; N143-S145 VanDerWaalsContact C-N 3.26Å; N143-S145 PolarHBondContact O-N 2.04Å
146	K	95.4	Very high	94.9	Very high	141 Å²	141	54.4 Å²	54.4	61%	0.613	26%	0.262	S	S	*	.	S	Bend	trans	-80.7	-31.4	-179.6	-74.9	179.1	174.4	169.8	0	112.9	L141 Q144	L141-K146 HydrophobicContact CD2-CB 4.32Å; L141-K146 HydrophobicContact CD2-CD 3.92Å; L141-K146 PolarHBondContact O-N 3.39Å; Q144-K146 HydrophobicContact CB-CD 4.11Å; Q144-K146 HydrophobicContact CB-CG 3.98Å; Q144-K146 PolarHBondContact O-N 3.07Å; Q144-K146 VanDerWaalsContact O-N 3.1Å; Q144-K146 VanDerWaalsContact OE1-CE 3.25Å
147	I	95.4	Very high	95.1	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.062	24%	0.238	C	C	.	.	S	Bend	trans	-130	144.3	178.9	-59.4	171.7	0	0	0	106.7	L141 S149 I189 D193 L197	L141-I147 HydrophobicContact CB-CD1 4.23Å; L141-I147 HydrophobicContact CD1-CD1 3.72Å; L141-I147 HydrophobicContact CG-CD1 4.43Å; I147-S149 PolarHBondContact O-N 2.88Å; I147-S149 VanDerWaalsContact O-N 3.15Å; I147-I189 HydrophobicContact CG2-CG2 4.3Å; I147-D193 HydrophobicContact CD1-CB 3.93Å; I147-D193 HydrophobicContact CG1-CB 4.32Å; I147-D193 HydrophobicContact CG2-CB 4.24Å; I147-L197 HydrophobicContact CD1-CD2 3.96Å; I147-L197 HydrophobicContact CD1-CG 4.32Å; I147-L197 HydrophobicContact CG2-CD1 4.15Å; I147-L197 HydrophobicContact CG2-CD2 4.38Å
148	L	95.1	Very high	95.1	Very high	24 Å²	24	48.8 Å²	48.8	13%	0.126	24%	0.237	C	C	.	.			trans	-50.3	118.2	175.2	177.3	66.8	0	0	0	110.2	Q152 Y153 Y185 W392	L148-Q152 HydrophobicContact CD1-CB 3.75Å; L148-Y153 HydrophobicContact CD2-CD2 3.95Å; L148-Y153 HydrophobicContact CD2-CG 4.4Å; L148-Y185 HydrophobicContact CD2-CE2 4.43Å; L148-Y185 HydrophobicContact CG-CE2 4.33Å; L148-Y185 PolarHBondContact O-OH 3Å; L148-W392 HydrophobicContact CD1-CD2 4.32Å; L148-W392 HydrophobicContact CD1-CE3 4.49Å; L148-W392 HydrophobicContact CD1-CH2 4.06Å; L148-W392 HydrophobicContact CD1-CZ2 3.87Å; L148-W392 HydrophobicContact CD1-CZ3 4.37Å; L148-W392 HydrophobicContact CD2-CD2 3.95Å; L148-W392 HydrophobicContact CD2-CG 3.93Å
149	S	96.3	Very high	95	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.063	27%	0.265	C	S	.	.			trans	-79.3	154.8	177.6	77.3	0	0	0	0	111.7	I147 S151 Q152 Y153	I147-S149 PolarHBondContact O-N 2.88Å; I147-S149 VanDerWaalsContact O-N 3.15Å; S149-S151 PolarHBondContact O-N 2.88Å; S149-Q152 WeakPolarHBondContact O-CB 3.23Å; S149-Q152 PolarHBondContact O-N 2.92Å; S149-Q152 VanDerWaalsContact O-N 3.12Å; S149-Q152 WeakPolarHBondContact OG-CB 3.3Å; S149-Q152 VanDerWaalsContact OG-CG 3.26Å; S149-Q152 WeakPolarHBondContact OG-CG 2.94Å; S149-Q152 PolarHBondContact OG-N 3.13Å; S149-Q152 VanDerWaalsContact OG-N 3.12Å; S149-Y153 PolarHBondContact O-N 3.09Å
150	P	96.3	Very high	95	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-41.6	173.7	-26.2	34.3	0	0	0	111.9	F134 W142 Q152 Y153 N154 Y185 Q273 A275 F276	F134-P150 HydrophobicContact CZ-CG 4.41Å; W142-P150 HydrophobicContact CH2-CG 3.74Å; W142-P150 VanDerWaalsContact CZ2-CD 3.46Å; W142-P150 HydrophobicContact CZ2-CG 3.63Å; W142-P150 HydrophobicContact CZ3-CG 4.32Å; P150-Q152 VanDerWaalsContact C-N 3.34Å; P150-Q152 PolarHBondContact O-N 2.71Å; P150-Y153 PolarHBondContact O-N 3.05Å; P150-N154 WeakPolarHBondContact O-CB 2.9Å; P150-N154 PolarHBondContact O-N 2.82Å; P150-Y185 WeakPolarHBondContact CD-OH 3.25Å; P150-Y185 HydrophobicContact CG-CE1 3.98Å; P150-Y185 HydrophobicContact CG-CE2 4.36Å; P150-Q273 HydrophobicContact CB-CB 3.93Å; P150-Q273 HydrophobicContact CB-CG 4.39Å; P150-Q273 HydrophobicContact CG-CB 4.2Å; P150-Q273 HydrophobicContact CG-CG 4.14Å; P150-A275 VanDerWaalsContact C-CB 3.49Å; P150-A275 HydrophobicContact CB-CB 3.46Å; P150-A275 VanDerWaalsContact CB-CB 3.46Å; P150-A275 WeakPolarHBondContact O-CB 3.32Å; P150-F276 HydrophobicContact CB-CE1 4.3Å; P150-F276 HydrophobicContact CB-CE2 3.64Å; P150-F276 HydrophobicContact CB-CZ 3.52Å; P150-F276 HydrophobicContact CG-CE2 3.85Å; P150-F276 HydrophobicContact CG-CZ 3.82Å
151	S	95.5	Very high	94.9	Very high	24 Å²	24	50.2 Å²	50.2	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-39.5	177.6	-52.2	0	0	0	0	112.5	S149 L155 Q273 Q274	S149-S151 PolarHBondContact O-N 2.88Å; S151-L155 WeakPolarHBondContact O-CB 3.33Å; S151-L155 WeakPolarHBondContact O-CG 3.44Å; S151-L155 PolarHBondContact O-N 2.94Å; S151-Q273 VanDerWaalsContact OG-CA 3.31Å; S151-Q273 WeakPolarHBondContact OG-CA 3.39Å; S151-Q273 PolarHBondContact OG-OE1 2.74Å; S151-Q274 PolarHBondContact OG-N 2.88Å
152	Q	95.4	Very high	94.9	Very high	76 Å²	76	56.8 Å²	56.8	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.3	-75.8	169.7	-19.7	0	0	111.6	L148 S149 P150 L155 Y156	L148-Q152 HydrophobicContact CD1-CB 3.75Å; S149-Q152 WeakPolarHBondContact O-CB 3.23Å; S149-Q152 PolarHBondContact O-N 2.92Å; S149-Q152 VanDerWaalsContact O-N 3.12Å; S149-Q152 WeakPolarHBondContact OG-CB 3.3Å; S149-Q152 VanDerWaalsContact OG-CG 3.26Å; S149-Q152 WeakPolarHBondContact OG-CG 2.94Å; S149-Q152 PolarHBondContact OG-N 3.13Å; S149-Q152 VanDerWaalsContact OG-N 3.12Å; P150-Q152 VanDerWaalsContact C-N 3.34Å; P150-Q152 PolarHBondContact O-N 2.71Å; Q152-L155 PolarHBondContact O-N 2.62Å; Q152-Y156 PolarHBondContact O-N 3.4Å
153	Y	95.7	Very high	94.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-44.4	176.2	-178	-107	0	0	0	111.8	L148 S149 P150 L155 Y156 M157 Y179 V184 Y185 N188 W392	L148-Y153 HydrophobicContact CD2-CD2 3.95Å; L148-Y153 HydrophobicContact CD2-CG 4.4Å; S149-Y153 PolarHBondContact O-N 3.09Å; P150-Y153 PolarHBondContact O-N 3.05Å; Y153-L155 PolarHBondContact O-N 3.3Å; Y153-Y156 HydrophobicContact CD2-CD1 4.5Å; Y153-Y156 HydrophobicContact CE2-CD1 4.44Å; Y153-Y156 WeakPolarHBondContact O-CB 3.47Å; Y153-Y156 PolarHBondContact O-N 3.02Å; Y153-Y156 VanDerWaalsContact O-N 3.13Å; Y153-M157 HydrophobicContact CD1-CG 4.24Å; Y153-M157 HydrophobicContact CE1-CG 3.81Å; Y153-M157 HydrophobicContact CE1-SD 4.4Å; Y153-M157 HydrophobicContact CE2-CG 4.29Å; Y153-M157 HydrophobicContact CE2-SD 4.19Å; Y153-M157 WeakPolarHBondContact O-CG 3.34Å; Y153-M157 PolarHBondContact O-N 3.15Å; Y153-Y179 WeakPolarHBondContact CE1-O 2.64Å; Y153-Y179 PolarHBondContact OH-O 3.08Å; Y153-V184 VanDerWaalsContact OH-CG1 3.28Å; Y153-V184 WeakPolarHBondContact OH-CG1 3.07Å; Y153-Y185 AromaticContact CD1-CD2 3.92Å; Y153-Y185 HydrophobicContact CD1-CD2 3.92Å; Y153-Y185 HydrophobicContact CD1-CG 4.5Å; Y153-Y185 AromaticContact CG-CD2 3.85Å; Y153-Y185 HydrophobicContact CG-CD2 3.85Å; Y153-N188 HydrophobicContact CD2-CB 4.42Å; Y153-N188 HydrophobicContact CE2-CB 3.88Å; Y153-N188 PolarHBondContact OH-ND2 2.95Å; Y153-W392 HydrophobicContact CE2-CB 4.42Å
154	N	95.8	Very high	94.7	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-44.9	173.5	169.9	-79.3	0	0	0	111.9	P150 Y156 M157 R158 D180 Q274 A275	P150-N154 WeakPolarHBondContact O-CB 2.9Å; P150-N154 PolarHBondContact O-N 2.82Å; N154-Y156 VanDerWaalsContact C-N 3.3Å; N154-Y156 PolarHBondContact O-N 3.38Å; N154-M157 PolarHBondContact O-N 3.46Å; N154-R158 WeakPolarHBondContact O-CG 3.23Å; N154-R158 PolarHBondContact O-N 3.09Å; N154-R158 PolarHBondContact OD1-NE 2.99Å; N154-R158 PolarHBondContact OD1-NH2 3.31Å; N154-D180 VanDerWaalsContact ND2-CG 3.27Å; N154-D180 PolarHBondContact ND2-OD2 3.44Å; N154-Q274 WeakPolarHBondContact CB-O 3.37Å; N154-Q274 PolarHBondContact OD1-O 3.31Å; N154-A275 HydrophobicContact CB-CB 3.87Å
155	L	95.5	Very high	94.7	Very high	100 Å²	100	55 Å²	55	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-40.8	175.2	-79.4	167.2	0	0	0	111.9	S151 Q152 Y153 K159	S151-L155 WeakPolarHBondContact O-CB 3.33Å; S151-L155 WeakPolarHBondContact O-CG 3.44Å; S151-L155 PolarHBondContact O-N 2.94Å; Q152-L155 PolarHBondContact O-N 2.62Å; Y153-L155 PolarHBondContact O-N 3.3Å; L155-K159 WeakPolarHBondContact O-CB 3.34Å; L155-K159 PolarHBondContact O-N 2.93Å
156	Y	94.8	Very high	94.7	Very high	31 Å²	31	60.4 Å²	60.4	12%	0.122	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-48.3	173.9	172.4	-106.5	0	0	0	111.8	Q152 Y153 N154 R158 K159 L160 L391 W392 L395	Q152-Y156 PolarHBondContact O-N 3.4Å; Y153-Y156 HydrophobicContact CD2-CD1 4.5Å; Y153-Y156 HydrophobicContact CE2-CD1 4.44Å; Y153-Y156 WeakPolarHBondContact O-CB 3.47Å; Y153-Y156 PolarHBondContact O-N 3.02Å; Y153-Y156 VanDerWaalsContact O-N 3.13Å; N154-Y156 VanDerWaalsContact C-N 3.3Å; N154-Y156 PolarHBondContact O-N 3.38Å; Y156-R158 PolarHBondContact O-N 2.99Å; Y156-K159 WeakPolarHBondContact O-CB 3.28Å; Y156-K159 PolarHBondContact O-N 3.49Å; Y156-K159 VanDerWaalsContact O-N 3.16Å; Y156-L160 HydrophobicContact CD1-CD1 4Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.17Å; Y156-L160 HydrophobicContact CE2-CD1 4.3Å; Y156-L160 HydrophobicContact CE2-CD2 4.25Å; Y156-L160 HydrophobicContact CE2-CG 4.22Å; Y156-L160 PolarHBondContact O-N 3.13Å; Y156-L391 HydrophobicContact CE1-CB 4.4Å; Y156-L391 PolarHBondContact OH-O 3.27Å; Y156-W392 AromaticContact CD1-CE3 3.66Å; Y156-W392 HydrophobicContact CD1-CE3 3.66Å; Y156-W392 HydrophobicContact CD1-CZ3 4.23Å; Y156-W392 AromaticContact CD2-CE3 3.74Å; Y156-W392 HydrophobicContact CD2-CE3 3.74Å; Y156-W392 AromaticContact CD2-CZ3 3.58Å; Y156-W392 HydrophobicContact CD2-CZ3 3.58Å; Y156-W392 HydrophobicContact CE1-CB 4.48Å; Y156-W392 AromaticContact CE1-CE3 3.96Å; Y156-W392 HydrophobicContact CE1-CE3 3.96Å; Y156-W392 HydrophobicContact CE2-CE3 4.06Å; Y156-W392 HydrophobicContact CE2-CZ3 4.2Å; Y156-W392 AromaticContact CG-CE3 3.51Å; Y156-W392 HydrophobicContact CG-CE3 3.51Å; Y156-W392 AromaticContact CG-CZ3 3.59Å; Y156-W392 HydrophobicContact CG-CZ3 3.59Å; Y156-L395 PolarHBondContact OH-N 2.64Å
157	M	94	Very high	94.7	Very high	3 Å²	3	61 Å²	61	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-45	178	-68.7	-52.9	-57.2	0	0	112	Y153 N154 K159 L160 I161 I176 L391	Y153-M157 HydrophobicContact CD1-CG 4.24Å; Y153-M157 HydrophobicContact CE1-CG 3.81Å; Y153-M157 HydrophobicContact CE1-SD 4.4Å; Y153-M157 HydrophobicContact CE2-CG 4.29Å; Y153-M157 HydrophobicContact CE2-SD 4.19Å; Y153-M157 WeakPolarHBondContact O-CG 3.34Å; Y153-M157 PolarHBondContact O-N 3.15Å; N154-M157 PolarHBondContact O-N 3.46Å; M157-K159 VanDerWaalsContact C-N 3.31Å; M157-K159 PolarHBondContact O-N 3.48Å; M157-L160 WeakPolarHBondContact O-CB 3.46Å; M157-L160 PolarHBondContact O-N 2.94Å; M157-L160 VanDerWaalsContact O-N 3.15Å; M157-L160 HydrophobicContact SD-CD1 4.1Å; M157-I161 WeakPolarHBondContact O-CG1 3.44Å; M157-I161 PolarHBondContact O-N 2.91Å; M157-I176 HydrophobicContact CE-CB 4.08Å; M157-I176 WeakPolarHBondContact CE-O 3.5Å; M157-L391 HydrophobicContact CE-CD2 4.14Å; M157-L391 HydrophobicContact SD-CD2 4.37Å
158	R	94.1	Very high	94.6	Very high	117 Å²	117	66.6 Å²	66.6	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-40.4	174.7	-75	-170.9	-74.2	172.3	-12	112.5	N154 Y156 I161 Y162	N154-R158 WeakPolarHBondContact O-CG 3.23Å; N154-R158 PolarHBondContact O-N 3.09Å; N154-R158 PolarHBondContact OD1-NE 2.99Å; N154-R158 PolarHBondContact OD1-NH2 3.31Å; Y156-R158 PolarHBondContact O-N 2.99Å; R158-I161 PolarHBondContact O-N 2.84Å; R158-Y162 WeakPolarHBondContact O-CB 3.35Å; R158-Y162 PolarHBondContact O-N 3.26Å
159	K	94.3	Very high	94.3	Very high	136 Å²	136	67.3 Å²	67.3	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-64.7	-39.9	175.5	-174.8	175.7	-179.7	176.1	0	112	L155 Y156 M157 Y162 N163	L155-K159 WeakPolarHBondContact O-CB 3.34Å; L155-K159 PolarHBondContact O-N 2.93Å; Y156-K159 WeakPolarHBondContact O-CB 3.28Å; Y156-K159 PolarHBondContact O-N 3.49Å; Y156-K159 VanDerWaalsContact O-N 3.16Å; M157-K159 VanDerWaalsContact C-N 3.31Å; M157-K159 PolarHBondContact O-N 3.48Å; K159-Y162 PolarHBondContact O-N 2.94Å; K159-N163 WeakPolarHBondContact O-CB 3.35Å; K159-N163 PolarHBondContact O-N 2.82Å; K159-N163 PolarHBondContact O-ND2 3.44Å
160	L	93.1	Very high	94.1	Very high	25 Å²	25	71.9 Å²	71.9	13%	0.131	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-45.4	175.1	-69.9	179	0	0	0	111.8	Y156 M157 N163 S164 I176 L395	Y156-L160 HydrophobicContact CD1-CD1 4Å; Y156-L160 HydrophobicContact CE1-CD1 3.42Å; Y156-L160 VanDerWaalsContact CE1-CD1 3.42Å; Y156-L160 HydrophobicContact CE1-CG 4.17Å; Y156-L160 HydrophobicContact CE2-CD1 4.3Å; Y156-L160 HydrophobicContact CE2-CD2 4.25Å; Y156-L160 HydrophobicContact CE2-CG 4.22Å; Y156-L160 PolarHBondContact O-N 3.13Å; M157-L160 WeakPolarHBondContact O-CB 3.46Å; M157-L160 PolarHBondContact O-N 2.94Å; M157-L160 VanDerWaalsContact O-N 3.15Å; M157-L160 HydrophobicContact SD-CD1 4.1Å; L160-N163 PolarHBondContact O-N 3.12Å; L160-S164 WeakPolarHBondContact O-CB 3.31Å; L160-S164 PolarHBondContact O-N 3.07Å; L160-S164 PolarHBondContact O-OG 3.46Å; L160-I176 HydrophobicContact CB-CD1 3.8Å; L160-L395 HydrophobicContact CD1-CB 4.09Å; L160-L395 HydrophobicContact CD1-CD2 3.91Å; L160-L395 HydrophobicContact CD2-CB 4.15Å; L160-L395 HydrophobicContact CD2-CD2 4.33Å
161	I	93.4	Very high	93.6	Very high	37 Å²	37	81.5 Å²	81.5	19%	0.19	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-50	176.6	-64	160.1	0	0	0	109.9	M157 R158 N163 S164 L165 A173 I176 W177	M157-I161 WeakPolarHBondContact O-CG1 3.44Å; M157-I161 PolarHBondContact O-N 2.91Å; R158-I161 PolarHBondContact O-N 2.84Å; I161-N163 VanDerWaalsContact C-N 3.35Å; I161-N163 PolarHBondContact O-N 3.3Å; I161-S164 WeakPolarHBondContact O-CB 3.2Å; I161-S164 PolarHBondContact O-N 2.89Å; I161-S164 VanDerWaalsContact O-N 3.1Å; I161-L165 HydrophobicContact CG2-CD1 4.05Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.27Å; I161-A173 HydrophobicContact CG2-CB 4.28Å; I161-I176 HydrophobicContact CG1-CD1 3.86Å; I161-I176 HydrophobicContact CG1-CG1 3.67Å; I161-W177 HydrophobicContact CD1-CB 4.06Å
162	Y	94.7	Very high	93.2	Very high	158 Å²	158	80.6 Å²	80.6	62%	0.62	36%	0.364	S	S	*	.	H	α-helix	trans	-57.8	-45.4	179.2	-175.7	-100.4	0	0	0	112.3	R158 K159 S164 L165 Y166	R158-Y162 WeakPolarHBondContact O-CB 3.35Å; R158-Y162 PolarHBondContact O-N 3.26Å; K159-Y162 PolarHBondContact O-N 2.94Å; Y162-S164 VanDerWaalsContact C-N 3.32Å; Y162-S164 PolarHBondContact O-N 2.99Å; Y162-L165 PolarHBondContact O-N 3.36Å; Y162-Y166 PolarHBondContact O-N 3.22Å
163	N	93.1	Very high	92.9	Very high	69 Å²	69	77.2 Å²	77.2	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-36.3	176.3	-72.3	-14.1	0	0	0	112.6	K159 L160 I161 Y166 K167	K159-N163 WeakPolarHBondContact O-CB 3.35Å; K159-N163 PolarHBondContact O-N 2.82Å; K159-N163 PolarHBondContact O-ND2 3.44Å; L160-N163 PolarHBondContact O-N 3.12Å; I161-N163 VanDerWaalsContact C-N 3.35Å; I161-N163 PolarHBondContact O-N 3.3Å; N163-Y166 PolarHBondContact O-N 2.9Å; N163-K167 WeakPolarHBondContact O-CG 3.41Å; N163-K167 PolarHBondContact O-N 3.47Å; N163-K167 VanDerWaalsContact O-N 3.15Å
164	S	92.4	Very high	92.5	Very high	8 Å²	8	80.4 Å²	80.4	6%	0.056	37%	0.371	C	S	.	.	H	α-helix	trans	-67.9	-43	177.6	-54.3	0	0	0	0	110.8	L160 I161 Y162 Y166 K167 N168 D169 L172	L160-S164 WeakPolarHBondContact O-CB 3.31Å; L160-S164 PolarHBondContact O-N 3.07Å; L160-S164 PolarHBondContact O-OG 3.46Å; I161-S164 WeakPolarHBondContact O-CB 3.2Å; I161-S164 PolarHBondContact O-N 2.89Å; I161-S164 VanDerWaalsContact O-N 3.1Å; Y162-S164 VanDerWaalsContact C-N 3.32Å; Y162-S164 PolarHBondContact O-N 2.99Å; S164-Y166 PolarHBondContact O-N 3.04Å; S164-K167 CarbonylContact O-C 3.55Å; S164-K167 PolarHBondContact O-N 2.71Å; S164-N168 PolarHBondContact O-N 2.84Å; S164-D169 PolarHBondContact O-N 2.89Å; S164-L172 WeakPolarHBondContact OG-CD2 3.45Å
165	L	94.4	Very high	92	Very high	93 Å²	93	82.4 Å²	82.4	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-41	173.9	-67.5	173.4	0	0	0	111.9	I161 Y162 K167 N168 A173	I161-L165 HydrophobicContact CG2-CD1 4.05Å; I161-L165 HydrophobicContact CG2-CG 4.42Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.27Å; Y162-L165 PolarHBondContact O-N 3.36Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.81Å; L165-N168 PolarHBondContact O-N 2.94Å; L165-A173 HydrophobicContact CD2-CB 3.76Å; L165-A173 HydrophobicContact CG-CB 3.98Å
166	Y	94.9	Very high	91.6	Very high	198 Å²	198	77.7 Å²	77.7	78%	0.776	36%	0.361	S	S	*	.	H	α-helix	trans	-63	-32.8	176	-170	-93.9	0	0	0	112.7	Y162 N163 S164 N168	Y162-Y166 PolarHBondContact O-N 3.22Å; N163-Y166 PolarHBondContact O-N 2.9Å; S164-Y166 PolarHBondContact O-N 3.04Å; Y166-N168 PolarHBondContact O-N 2.82Å
167	K	93.5	Very high	91.3	Very high	155 Å²	155	83.9 Å²	83.9	67%	0.674	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.1	174.1	-68.2	178.2	-179.4	-176.6	0	113.6	N163 S164 L165 D169	N163-K167 WeakPolarHBondContact O-CG 3.41Å; N163-K167 PolarHBondContact O-N 3.47Å; N163-K167 VanDerWaalsContact O-N 3.15Å; S164-K167 CarbonylContact O-C 3.55Å; S164-K167 PolarHBondContact O-N 2.71Å; L165-K167 VanDerWaalsContact C-N 3.26Å; L165-K167 PolarHBondContact O-N 2.81Å; K167-D169 PolarHBondContact O-N 2.81Å
168	N	93.5	Very high	91	Very high	129 Å²	129	86 Å²	86	69%	0.69	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	25.6	-174.4	-154.8	31.9	0	0	0	114.2	S164 L165 Y166 I170	S164-N168 PolarHBondContact O-N 2.84Å; L165-N168 PolarHBondContact O-N 2.94Å; Y166-N168 PolarHBondContact O-N 2.82Å; N168-I170 PolarHBondContact O-N 2.87Å
169	D	90	Very high	91	Very high	39 Å²	39	82.5 Å²	82.5	21%	0.209	39%	0.387	C	S	.	.			trans	-92.6	77.1	175.2	-168.1	-14.5	0	0	0	110.6	S164 K167 Y171 L172 A173 Q397	S164-D169 PolarHBondContact O-N 2.89Å; K167-D169 PolarHBondContact O-N 2.81Å; D169-Y171 VanDerWaalsContact C-N 3.28Å; D169-Y171 PolarHBondContact O-N 3.43Å; D169-Y171 PolarHBondContact OD1-N 3.13Å; D169-L172 HydrophobicContact CB-CB 4.33Å; D169-L172 VanDerWaalsContact CG-CB 3.46Å; D169-L172 PolarHBondContact O-N 3.4Å; D169-L172 WeakPolarHBondContact OD1-CB 3.43Å; D169-L172 PolarHBondContact OD1-N 2.81Å; D169-L172 WeakPolarHBondContact OD2-CB 3.38Å; D169-A173 PolarHBondContact O-N 2.82Å; D169-A173 VanDerWaalsContact O-N 3.14Å; D169-Q397 PolarHBondContact OD2-NE2 2.89Å
170	I	90.9	Very high	90.9	Very high	104 Å²	104	76.4 Å²	76.4	53%	0.533	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-33.7	-177.8	-55.9	175.8	0	0	0	110.8	N168 A173 S174	N168-I170 PolarHBondContact O-N 2.87Å; I170-A173 PolarHBondContact O-N 2.7Å; I170-S174 VanDerWaalsContact O-CB 3.25Å; I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.02Å; I170-S174 PolarHBondContact O-OG 3Å
171	Y	86.7	Confident	91	Very high	202 Å²	202	76 Å²	76	79%	0.792	36%	0.36	S	S	*	.	H	α-helix	trans	-65.6	-45.9	179	-67.6	-73.6	0	0	0	111.5	D169 S174 S175	D169-Y171 VanDerWaalsContact C-N 3.28Å; D169-Y171 PolarHBondContact O-N 3.43Å; D169-Y171 PolarHBondContact OD1-N 3.13Å; Y171-S174 WeakPolarHBondContact CA-OG 3.26Å; Y171-S174 PolarHBondContact O-OG 2.92Å; Y171-S174 VanDerWaalsContact O-OG 3.05Å; Y171-S175 VanDerWaalsContact O-CB 3.32Å; Y171-S175 WeakPolarHBondContact O-CB 3.48Å; Y171-S175 PolarHBondContact O-N 2.83Å; Y171-S175 PolarHBondContact O-OG 3.19Å
172	L	86.4	Confident	91	Very high	5 Å²	5	75 Å²	75	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-48.9	175.1	-178.5	66.6	0	0	0	110.9	S164 D169 S174 S175 I176 Q397 I401	S164-L172 WeakPolarHBondContact OG-CD2 3.45Å; D169-L172 HydrophobicContact CB-CB 4.33Å; D169-L172 VanDerWaalsContact CG-CB 3.46Å; D169-L172 PolarHBondContact O-N 3.4Å; D169-L172 WeakPolarHBondContact OD1-CB 3.43Å; D169-L172 PolarHBondContact OD1-N 2.81Å; D169-L172 WeakPolarHBondContact OD2-CB 3.38Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 2.83Å; L172-S175 WeakPolarHBondContact CA-OG 3.17Å; L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 PolarHBondContact O-OG 3.28Å; L172-I176 HydrophobicContact CD1-CG2 3.87Å; L172-I176 HydrophobicContact CG-CD1 4.4Å; L172-I176 HydrophobicContact CG-CG2 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.49Å; L172-I176 PolarHBondContact O-N 3Å; L172-Q397 HydrophobicContact CD1-CG 4.33Å; L172-Q397 VanDerWaalsContact CD2-CD 3.49Å; L172-Q397 HydrophobicContact CD2-CG 3.84Å; L172-I401 HydrophobicContact CD1-CD1 4.46Å
173	A	90.6	Very high	91	Very high	6 Å²	6	68.2 Å²	68.2	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-55.6	-45.7	179.9	0	0	0	0	0	112.1	I161 L165 D169 I170 S175 W177	I161-A173 HydrophobicContact CG2-CB 4.28Å; L165-A173 HydrophobicContact CD2-CB 3.76Å; L165-A173 HydrophobicContact CG-CB 3.98Å; D169-A173 PolarHBondContact O-N 2.82Å; D169-A173 VanDerWaalsContact O-N 3.14Å; I170-A173 PolarHBondContact O-N 2.7Å; A173-S175 VanDerWaalsContact C-N 3.32Å; A173-S175 PolarHBondContact O-N 3.29Å; A173-W177 PolarHBondContact O-N 2.78Å
174	S	87.2	Confident	91.1	Very high	67 Å²	67	65.6 Å²	65.6	47%	0.469	32%	0.317	S	S	.	.	H	α-helix	trans	-73.9	-16.8	177.1	60.8	0	0	0	0	114.4	I170 Y171 L172	I170-S174 VanDerWaalsContact O-CB 3.25Å; I170-S174 WeakPolarHBondContact O-CB 3.31Å; I170-S174 PolarHBondContact O-N 3.02Å; I170-S174 PolarHBondContact O-OG 3Å; Y171-S174 WeakPolarHBondContact CA-OG 3.26Å; Y171-S174 PolarHBondContact O-OG 2.92Å; Y171-S174 VanDerWaalsContact O-OG 3.05Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 2.83Å
175	S	83.8	Confident	91.3	Very high	49 Å²	49	65.3 Å²	65.3	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-84.3	-33.3	173.5	71.9	0	0	0	0	112.8	Y171 L172 A173 Y179	Y171-S175 VanDerWaalsContact O-CB 3.32Å; Y171-S175 WeakPolarHBondContact O-CB 3.48Å; Y171-S175 PolarHBondContact O-N 2.83Å; Y171-S175 PolarHBondContact O-OG 3.19Å; L172-S175 WeakPolarHBondContact CA-OG 3.17Å; L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 PolarHBondContact O-OG 3.28Å; A173-S175 VanDerWaalsContact C-N 3.32Å; A173-S175 PolarHBondContact O-N 3.29Å; S175-Y179 WeakPolarHBondContact O-CD2 3.19Å; S175-Y179 WeakPolarHBondContact O-CE2 3.3Å
176	I	88	Confident	91.4	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-97.9	-10.4	-173.6	70.2	-180	0	0	0	114.2	M157 L160 I161 L172 S178 Y179 L391 F400	M157-I176 HydrophobicContact CE-CB 4.08Å; M157-I176 WeakPolarHBondContact CE-O 3.5Å; L160-I176 HydrophobicContact CB-CD1 3.8Å; I161-I176 HydrophobicContact CG1-CD1 3.86Å; I161-I176 HydrophobicContact CG1-CG1 3.67Å; L172-I176 HydrophobicContact CD1-CG2 3.87Å; L172-I176 HydrophobicContact CG-CD1 4.4Å; L172-I176 HydrophobicContact CG-CG2 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.49Å; L172-I176 PolarHBondContact O-N 3Å; I176-S178 PolarHBondContact O-N 2.86Å; I176-Y179 VanDerWaalsContact O-CB 3.31Å; I176-Y179 WeakPolarHBondContact O-CB 3.11Å; I176-Y179 PolarHBondContact O-N 3.45Å; I176-L391 HydrophobicContact CG2-CD2 4.42Å; I176-F400 HydrophobicContact CG2-CE1 3.9Å; I176-F400 HydrophobicContact CG2-CZ 4.47Å
177	W	87.2	Confident	91.5	Very high	162 Å²	162	52.2 Å²	52.2	61%	0.614	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-60.5	-33	-174.1	81.3	-77.8	0	0	0	113.7	I161 A173 Y179	I161-W177 HydrophobicContact CD1-CB 4.06Å; A173-W177 PolarHBondContact O-N 2.78Å; W177-Y179 VanDerWaalsContact C-N 3.3Å; W177-Y179 PolarHBondContact O-N 3.05Å
178	S	89.7	Confident	91.6	Very high	48 Å²	48	45.4 Å²	45.4	34%	0.336	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-84.8	1	178.6	58.8	0	0	0	0	114	I176 D180	I176-S178 PolarHBondContact O-N 2.86Å; S178-D180 PolarHBondContact O-N 3.08Å
179	Y	92.2	Very high	91.6	Very high	43 Å²	43	40 Å²	40	17%	0.169	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-82.7	2.1	-179.4	-79.1	-120.4	0	0	0	113.1	Y153 S175 I176 W177 S181 V184 L391 F400 I404	Y153-Y179 WeakPolarHBondContact CE1-O 2.64Å; Y153-Y179 PolarHBondContact OH-O 3.08Å; S175-Y179 WeakPolarHBondContact O-CD2 3.19Å; S175-Y179 WeakPolarHBondContact O-CE2 3.3Å; I176-Y179 VanDerWaalsContact O-CB 3.31Å; I176-Y179 WeakPolarHBondContact O-CB 3.11Å; I176-Y179 PolarHBondContact O-N 3.45Å; W177-Y179 VanDerWaalsContact C-N 3.3Å; W177-Y179 PolarHBondContact O-N 3.05Å; Y179-S181 PolarHBondContact O-N 3.42Å; Y179-S181 VanDerWaalsContact O-N 3.17Å; Y179-V184 HydrophobicContact CD1-CG1 3.78Å; Y179-V184 HydrophobicContact CD1-CG2 4.08Å; Y179-V184 HydrophobicContact CG-CG1 4.35Å; Y179-V184 HydrophobicContact CG-CG2 4.4Å; Y179-V184 WeakPolarHBondContact O-CB 3.45Å; Y179-V184 WeakPolarHBondContact O-CG1 3.16Å; Y179-L391 HydrophobicContact CD1-CD1 3.71Å; Y179-L391 HydrophobicContact CD1-CD2 4.34Å; Y179-L391 HydrophobicContact CE1-CD1 4.41Å; Y179-F400 HydrophobicContact CD1-CZ 4.19Å; Y179-F400 AromaticContact CE1-CE2 3.9Å; Y179-F400 HydrophobicContact CE1-CE2 3.9Å; Y179-F400 AromaticContact CE1-CZ 3.5Å; Y179-F400 HydrophobicContact CE1-CZ 3.5Å; Y179-F400 VanDerWaalsContact CE1-CZ 3.5Å; Y179-F400 AromaticContact CZ-CZ 3.73Å; Y179-I404 WeakPolarHBondContact OH-CD1 3.31Å
180	D	93.2	Very high	91.8	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.215	C	C	.	.			trans	-80.7	61.3	159.7	-179	43.8	0	0	0	110	N154 S178 F276 L277 P278	N154-D180 VanDerWaalsContact ND2-CG 3.27Å; N154-D180 PolarHBondContact ND2-OD2 3.44Å; S178-D180 PolarHBondContact O-N 3.08Å; D180-F276 VanDerWaalsContact CG-N 3.31Å; D180-F276 WeakPolarHBondContact O-CA 3.33Å; D180-F276 PolarHBondContact OD1-N 2.97Å; D180-F276 PolarHBondContact OD2-N 3.37Å; D180-L277 PolarHBondContact OD2-N 3.33Å; D180-P278 WeakPolarHBondContact O-CD 3.4Å
181	S	94.5	Very high	91.9	Very high	17 Å²	17	39.8 Å²	39.8	12%	0.119	20%	0.197	C	C	.	.	S	Bend	trans	-122.9	156	173.7	63.7	0	0	0	0	110.5	Y179 S183 V184 Y185 D279	Y179-S181 PolarHBondContact O-N 3.42Å; Y179-S181 VanDerWaalsContact O-N 3.17Å; S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 3.47Å; S181-V184 PolarHBondContact O-N 2.57Å; S181-V184 VanDerWaalsContact O-N 3.15Å; S181-V184 VanDerWaalsContact OG-CG2 3.26Å; S181-V184 WeakPolarHBondContact OG-CG2 3.43Å; S181-V184 PolarHBondContact OG-N 3.3Å; S181-Y185 WeakPolarHBondContact O-CB 3.28Å; S181-Y185 PolarHBondContact O-N 3.12Å; S181-D279 WeakPolarHBondContact CB-OD1 3.44Å
182	L	94.8	Very high	92.3	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-41.9	-178.8	176.6	62.7	0	0	0	111.8	P133 F134 V184 Y185 Y186 Q236 L238 F276 D279	P133-L182 HydrophobicContact CG-CD1 4.16Å; P133-L182 HydrophobicContact CG-CD2 3.75Å; F134-L182 HydrophobicContact CE1-CD1 4.35Å; F134-L182 HydrophobicContact CE2-CD1 3.85Å; F134-L182 HydrophobicContact CZ-CD1 3.41Å; F134-L182 VanDerWaalsContact CZ-CD1 3.41Å; L182-V184 VanDerWaalsContact C-N 3.3Å; L182-V184 PolarHBondContact O-N 3.12Å; L182-Y185 HydrophobicContact CD1-CD1 4.32Å; L182-Y185 PolarHBondContact O-N 3.4Å; L182-Y186 WeakPolarHBondContact O-CB 3.03Å; L182-Y186 PolarHBondContact O-N 2.85Å; L182-Q236 WeakPolarHBondContact CD2-O 3.45Å; L182-L238 HydrophobicContact CD1-CD1 4.01Å; L182-F276 HydrophobicContact CB-CD1 4.26Å; L182-F276 HydrophobicContact CB-CD2 4.48Å; L182-F276 HydrophobicContact CB-CE1 4.37Å; L182-F276 HydrophobicContact CB-CG 4.32Å; L182-F276 HydrophobicContact CD1-CE2 3.95Å; L182-F276 HydrophobicContact CD1-CZ 3.91Å; L182-F276 VanDerWaalsContact N-CD1 3.3Å; L182-D279 WeakPolarHBondContact CB-OD2 3.03Å; L182-D279 PolarHBondContact N-OD2 2.85Å
183	S	94.8	Very high	92.7	Very high	14 Å²	14	40 Å²	40	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-38.3	176.7	-176.8	0	0	0	0	112.3	S181 Q187 H235	S181-S183 VanDerWaalsContact C-N 3.3Å; S181-S183 PolarHBondContact O-N 3.47Å; S183-Q187 WeakPolarHBondContact O-CG 3.39Å; S183-Q187 PolarHBondContact O-NE2 3.07Å; S183-H235 WeakPolarHBondContact CB-ND1 3.22Å; S183-H235 PolarHBondContact OG-ND1 2.84Å
184	V	95.2	Very high	92.9	Very high	15 Å²	15	39.7 Å²	39.7	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-77.5	-40.4	176.5	179	0	0	0	0	110.7	Y153 Y179 S181 L182 Y186 Q187 N188 L391	Y153-V184 VanDerWaalsContact OH-CG1 3.28Å; Y153-V184 WeakPolarHBondContact OH-CG1 3.07Å; Y179-V184 HydrophobicContact CD1-CG1 3.78Å; Y179-V184 HydrophobicContact CD1-CG2 4.08Å; Y179-V184 HydrophobicContact CG-CG1 4.35Å; Y179-V184 HydrophobicContact CG-CG2 4.4Å; Y179-V184 WeakPolarHBondContact O-CB 3.45Å; Y179-V184 WeakPolarHBondContact O-CG1 3.16Å; S181-V184 PolarHBondContact O-N 2.57Å; S181-V184 VanDerWaalsContact O-N 3.15Å; S181-V184 VanDerWaalsContact OG-CG2 3.26Å; S181-V184 WeakPolarHBondContact OG-CG2 3.43Å; S181-V184 PolarHBondContact OG-N 3.3Å; L182-V184 VanDerWaalsContact C-N 3.3Å; L182-V184 PolarHBondContact O-N 3.12Å; V184-Y186 VanDerWaalsContact C-N 3.29Å; V184-Y186 PolarHBondContact O-N 2.83Å; V184-Q187 WeakPolarHBondContact O-CA 3.3Å; V184-Q187 WeakPolarHBondContact O-CB 3.45Å; V184-Q187 PolarHBondContact O-N 2.99Å; V184-N188 PolarHBondContact O-N 3.2Å; V184-N188 PolarHBondContact O-ND2 3.46Å; V184-L391 HydrophobicContact CG1-CD1 3.93Å
185	Y	96.4	Very high	93.3	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-40.8	174.4	170	-106.7	0	0	0	112.2	F134 W142 L148 P150 Y153 S181 L182 Q187 N188 I189 L197 F276	F134-Y185 HydrophobicContact CE1-CE1 4.03Å; F134-Y185 HydrophobicContact CZ-CD1 4.28Å; F134-Y185 AromaticContact CZ-CE1 3.9Å; F134-Y185 HydrophobicContact CZ-CE1 3.9Å; W142-Y185 PolarHBondContact NE1-OH 3.31Å; L148-Y185 HydrophobicContact CD2-CE2 4.43Å; L148-Y185 HydrophobicContact CG-CE2 4.33Å; L148-Y185 PolarHBondContact O-OH 3Å; P150-Y185 WeakPolarHBondContact CD-OH 3.25Å; P150-Y185 HydrophobicContact CG-CE1 3.98Å; P150-Y185 HydrophobicContact CG-CE2 4.36Å; Y153-Y185 AromaticContact CD1-CD2 3.92Å; Y153-Y185 HydrophobicContact CD1-CD2 3.92Å; Y153-Y185 HydrophobicContact CD1-CG 4.5Å; Y153-Y185 AromaticContact CG-CD2 3.85Å; Y153-Y185 HydrophobicContact CG-CD2 3.85Å; S181-Y185 WeakPolarHBondContact O-CB 3.28Å; S181-Y185 PolarHBondContact O-N 3.12Å; L182-Y185 HydrophobicContact CD1-CD1 4.32Å; L182-Y185 PolarHBondContact O-N 3.4Å; Y185-Q187 PolarHBondContact O-N 2.95Å; Y185-N188 PolarHBondContact O-N 2.74Å; Y185-I189 HydrophobicContact CD1-CD1 3.62Å; Y185-I189 HydrophobicContact CD2-CD1 3.91Å; Y185-I189 HydrophobicContact CD2-CG1 4.39Å; Y185-I189 HydrophobicContact CE1-CD1 3.19Å; Y185-I189 HydrophobicContact CE1-CG1 4.5Å; Y185-I189 HydrophobicContact CE2-CD1 3.49Å; Y185-I189 VanDerWaalsContact CE2-CD1 3.49Å; Y185-I189 HydrophobicContact CE2-CG1 4.06Å; Y185-I189 HydrophobicContact CG-CD1 3.97Å; Y185-I189 WeakPolarHBondContact O-CG1 3.38Å; Y185-I189 PolarHBondContact O-N 2.81Å; Y185-I189 WeakPolarHBondContact OH-CD1 3.49Å; Y185-L197 HydrophobicContact CE1-CD1 4.47Å; Y185-F276 VanDerWaalsContact CB-CE1 3.47Å; Y185-F276 HydrophobicContact CD1-CE1 4.05Å; Y185-F276 AromaticContact CD1-CZ 3.49Å; Y185-F276 HydrophobicContact CD1-CZ 3.49Å; Y185-F276 VanDerWaalsContact CD1-CZ 3.49Å; Y185-F276 HydrophobicContact CD2-CZ 4.44Å; Y185-F276 HydrophobicContact CE1-CZ 4.07Å; Y185-F276 AromaticContact CG-CE1 3.8Å; Y185-F276 HydrophobicContact CG-CE1 3.8Å; Y185-F276 AromaticContact CG-CZ 3.69Å; Y185-F276 HydrophobicContact CG-CZ 3.69Å
186	Y	96.7	Very high	93.9	Very high	3 Å²	3	40 Å²	40	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-54	-40.8	171.8	177.3	-85	0	0	0	112.3	L182 V184 N188 I189 T194 S233 H235 L238 V373 R377 Y387	L182-Y186 WeakPolarHBondContact O-CB 3.03Å; L182-Y186 PolarHBondContact O-N 2.85Å; V184-Y186 VanDerWaalsContact C-N 3.29Å; V184-Y186 PolarHBondContact O-N 2.83Å; Y186-N188 PolarHBondContact O-N 3.27Å; Y186-I189 PolarHBondContact O-N 2.92Å; Y186-T194 HydrophobicContact CD2-CG2 3.86Å; Y186-T194 HydrophobicContact CE2-CG2 3.88Å; Y186-T194 HydrophobicContact CG-CG2 4.48Å; Y186-S233 WeakPolarHBondContact CE2-OG 3.27Å; Y186-S233 PolarHBondContact OH-OG 2.97Å; Y186-H235 HydrophobicContact CD1-CB 4Å; Y186-H235 HydrophobicContact CE1-CB 4.48Å; Y186-H235 HydrophobicContact CG-CB 4.21Å; Y186-L238 HydrophobicContact CD2-CG 4.31Å; Y186-V373 HydrophobicContact CD1-CG2 4.06Å; Y186-V373 HydrophobicContact CE1-CG2 4.16Å; Y186-R377 PolarHBondContact OH-NH1 2.96Å; Y186-Y387 HydrophobicContact CE1-CE2 4.17Å; Y186-Y387 AromaticContact CE1-CZ 3.98Å
187	Q	95.8	Very high	94.3	Very high	14 Å²	14	40 Å²	40	7%	0.065	19%	0.194	C	C	.	.	H	α-helix	trans	-70.5	-16	178.9	-67.7	171.3	75.4	0	0	113.6	S183 V184 Y185 V373 Y387 G389	S183-Q187 WeakPolarHBondContact O-CG 3.39Å; S183-Q187 PolarHBondContact O-NE2 3.07Å; V184-Q187 WeakPolarHBondContact O-CA 3.3Å; V184-Q187 WeakPolarHBondContact O-CB 3.45Å; V184-Q187 PolarHBondContact O-N 2.99Å; Y185-Q187 PolarHBondContact O-N 2.95Å; Q187-V373 HydrophobicContact CG-CB 3.93Å; Q187-V373 HydrophobicContact CG-CG1 4.28Å; Q187-V373 HydrophobicContact CG-CG2 3.9Å; Q187-Y387 HydrophobicContact CB-CD2 3.85Å; Q187-Y387 HydrophobicContact CB-CG 3.93Å; Q187-Y387 HydrophobicContact CG-CD1 4.23Å; Q187-Y387 HydrophobicContact CG-CD2 3.97Å; Q187-Y387 HydrophobicContact CG-CG 3.75Å; Q187-G389 VanDerWaalsContact OE1-CA 3.27Å
188	N	95.2	Very high	94.7	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.064	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	4.8	-176.8	-76.7	-84.9	0	0	0	113.5	Y153 V184 Y185 Y186 G389 L391 W392	Y153-N188 HydrophobicContact CD2-CB 4.42Å; Y153-N188 HydrophobicContact CE2-CB 3.88Å; Y153-N188 PolarHBondContact OH-ND2 2.95Å; V184-N188 PolarHBondContact O-N 3.2Å; V184-N188 PolarHBondContact O-ND2 3.46Å; Y185-N188 PolarHBondContact O-N 2.74Å; Y186-N188 PolarHBondContact O-N 3.27Å; N188-G389 PolarHBondContact ND2-O 2.81Å; N188-L391 PolarHBondContact OD1-N 3.43Å; N188-W392 HydrophobicContact CB-CB 4.13Å; N188-W392 WeakPolarHBondContact OD1-CB 3.33Å; N188-W392 PolarHBondContact OD1-N 3.46Å
189	I	94.4	Very high	95	Very high	16 Å²	16	30.4 Å²	30.4	8%	0.082	15%	0.151	C	C	.	.	S	Bend	trans	-116.9	147.5	179.2	-60.9	163.9	0	0	0	109	I147 Y185 Y186 Y191 D193 T194 L197	I147-I189 HydrophobicContact CG2-CG2 4.3Å; Y185-I189 HydrophobicContact CD1-CD1 3.62Å; Y185-I189 HydrophobicContact CD2-CD1 3.91Å; Y185-I189 HydrophobicContact CD2-CG1 4.39Å; Y185-I189 HydrophobicContact CE1-CD1 3.19Å; Y185-I189 HydrophobicContact CE1-CG1 4.5Å; Y185-I189 HydrophobicContact CE2-CD1 3.49Å; Y185-I189 VanDerWaalsContact CE2-CD1 3.49Å; Y185-I189 HydrophobicContact CE2-CG1 4.06Å; Y185-I189 HydrophobicContact CG-CD1 3.97Å; Y185-I189 WeakPolarHBondContact O-CG1 3.38Å; Y185-I189 PolarHBondContact O-N 2.81Å; Y185-I189 WeakPolarHBondContact OH-CD1 3.49Å; Y186-I189 PolarHBondContact O-N 2.92Å; I189-Y191 PolarHBondContact O-N 2.93Å; I189-D193 HydrophobicContact CG2-CB 3.52Å; I189-T194 HydrophobicContact CB-CG2 3.89Å; I189-T194 HydrophobicContact CG2-CG2 3.8Å; I189-L197 HydrophobicContact CD1-CD1 3.92Å
190	N	93.9	Very high	95	Very high	98 Å²	98	32.5 Å²	32.5	52%	0.524	17%	0.166	S	C	.	.			trans	-60.7	136	173.2	-170.5	-42.3	0	0	0	110.2	K192 D193 T194	N190-K192 PolarHBondContact O-N 2.81Å; N190-K192 VanDerWaalsContact O-N 3.08Å; N190-K192 PolarHBondContact OD1-N 2.88Å; N190-D193 HydrophobicContact CB-CB 4.42Å; N190-D193 WeakPolarHBondContact O-CA 3.46Å; N190-D193 WeakPolarHBondContact O-CB 3.45Å; N190-D193 PolarHBondContact O-N 3.34Å; N190-T194 PolarHBondContact O-N 3.44Å; N190-T194 VanDerWaalsContact O-N 3.08Å
191	Y	93.1	Very high	95	Very high	40 Å²	40	34.2 Å²	34.2	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-50.6	-35.4	177.9	175.2	-117.5	0	0	0	114.1	I189 D193 T194 I195 L344 I380	I189-Y191 PolarHBondContact O-N 2.93Å; Y191-D193 VanDerWaalsContact C-N 3.31Å; Y191-D193 PolarHBondContact O-N 3.38Å; Y191-T194 PolarHBondContact O-N 3.24Å; Y191-T194 PolarHBondContact O-OG1 3.33Å; Y191-I195 HydrophobicContact CE1-CD1 3.98Å; Y191-I195 HydrophobicContact CE2-CD1 4.2Å; Y191-I195 HydrophobicContact CE2-CG1 4.34Å; Y191-I195 PolarHBondContact O-N 3.08Å; Y191-L344 HydrophobicContact CD2-CD1 4.05Å; Y191-L344 HydrophobicContact CD2-CD2 4.34Å; Y191-L344 HydrophobicContact CE2-CB 4.48Å; Y191-L344 HydrophobicContact CE2-CD1 3.46Å; Y191-L344 VanDerWaalsContact CE2-CD1 3.46Å; Y191-L344 HydrophobicContact CE2-CD2 4.35Å; Y191-L344 HydrophobicContact CE2-CG 4.32Å; Y191-I380 HydrophobicContact CD1-CD1 4.32Å; Y191-I380 HydrophobicContact CD1-CG1 4.48Å; Y191-I380 HydrophobicContact CD1-CG2 4.07Å; Y191-I380 HydrophobicContact CE1-CD1 4.37Å; Y191-I380 HydrophobicContact CG-CG2 4.43Å
192	K	94.4	Very high	94.8	Very high	157 Å²	157	38.1 Å²	38.1	68%	0.683	20%	0.198	S	C	*	.	H	α-helix	trans	-66.4	-35.2	176.1	-67.9	-177.4	179.5	178.8	0	112.6	N190	N190-K192 PolarHBondContact O-N 2.81Å; N190-K192 VanDerWaalsContact O-N 3.08Å; N190-K192 PolarHBondContact OD1-N 2.88Å
193	D	95.7	Very high	94.5	Very high	53 Å²	53	38.2 Å²	38.2	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-75.5	-35.2	-179.8	-67.8	-25	0	0	0	111	I147 I189 N190 Y191 I195 L196 L197	I147-D193 HydrophobicContact CD1-CB 3.93Å; I147-D193 HydrophobicContact CG1-CB 4.32Å; I147-D193 HydrophobicContact CG2-CB 4.24Å; I189-D193 HydrophobicContact CG2-CB 3.52Å; N190-D193 HydrophobicContact CB-CB 4.42Å; N190-D193 WeakPolarHBondContact O-CA 3.46Å; N190-D193 WeakPolarHBondContact O-CB 3.45Å; N190-D193 PolarHBondContact O-N 3.34Å; Y191-D193 VanDerWaalsContact C-N 3.31Å; Y191-D193 PolarHBondContact O-N 3.38Å; D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.43Å; D193-L196 WeakPolarHBondContact O-CB 3.26Å; D193-L196 PolarHBondContact O-N 2.8Å; D193-L197 WeakPolarHBondContact O-CG 3.46Å; D193-L197 PolarHBondContact O-N 3.22Å
194	T	94.8	Very high	94.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60.5	-37.9	175.6	66.5	0	0	0	0	111.7	Y186 I189 N190 Y191 L196 L197 G198	Y186-T194 HydrophobicContact CD2-CG2 3.86Å; Y186-T194 HydrophobicContact CE2-CG2 3.88Å; Y186-T194 HydrophobicContact CG-CG2 4.48Å; I189-T194 HydrophobicContact CB-CG2 3.89Å; I189-T194 HydrophobicContact CG2-CG2 3.8Å; N190-T194 PolarHBondContact O-N 3.44Å; N190-T194 VanDerWaalsContact O-N 3.08Å; Y191-T194 PolarHBondContact O-N 3.24Å; Y191-T194 PolarHBondContact O-OG1 3.33Å; T194-L196 VanDerWaalsContact C-N 3.29Å; T194-L196 PolarHBondContact O-N 3.41Å; T194-L197 PolarHBondContact O-N 2.98Å; T194-G198 PolarHBondContact O-N 2.78Å
195	I	95.6	Very high	94.1	Very high	54 Å²	54	39.3 Å²	39.3	28%	0.277	20%	0.2	S	C	.	.	H	α-helix	trans	-60.6	-38	173	-66.6	169.4	0	0	0	111.7	Y191 D193 N239	Y191-I195 HydrophobicContact CE1-CD1 3.98Å; Y191-I195 HydrophobicContact CE2-CD1 4.2Å; Y191-I195 HydrophobicContact CE2-CG1 4.34Å; Y191-I195 PolarHBondContact O-N 3.08Å; D193-I195 VanDerWaalsContact C-N 3.27Å; D193-I195 PolarHBondContact O-N 3.43Å; I195-N239 PolarHBondContact O-ND2 3.3Å
196	L	96.4	Very high	93.9	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.356	20%	0.202	S	C	.	.	H	α-helix	trans	-74.4	-27.9	-178.9	-65	173.1	0	0	0	113.4	L141 D193 T194	L141-L196 HydrophobicContact CD1-CB 4.21Å; D193-L196 WeakPolarHBondContact O-CB 3.26Å; D193-L196 PolarHBondContact O-N 2.8Å; T194-L196 VanDerWaalsContact C-N 3.29Å; T194-L196 PolarHBondContact O-N 3.41Å
197	L	96.7	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-78.1	-33.2	178.4	-64.7	178.7	0	0	0	112	F134 S135 A138 L141 W142 I147 Y185 I189 D193 T194 L238	F134-L197 HydrophobicContact CD1-CB 4.2Å; F134-L197 HydrophobicContact CE1-CB 4.49Å; S135-L197 PolarHBondContact N-O 2.82Å; S135-L197 PolarHBondContact OG-O 2.83Å; A138-L197 HydrophobicContact CB-CB 4.24Å; A138-L197 HydrophobicContact CB-CD2 3.79Å; L141-L197 HydrophobicContact CD1-CD2 4.41Å; W142-L197 HydrophobicContact CZ2-CD1 4.48Å; W142-L197 HydrophobicContact CZ2-CD2 4.21Å; I147-L197 HydrophobicContact CD1-CD2 3.96Å; I147-L197 HydrophobicContact CD1-CG 4.32Å; I147-L197 HydrophobicContact CG2-CD1 4.15Å; I147-L197 HydrophobicContact CG2-CD2 4.38Å; Y185-L197 HydrophobicContact CE1-CD1 4.47Å; I189-L197 HydrophobicContact CD1-CD1 3.92Å; D193-L197 WeakPolarHBondContact O-CG 3.46Å; D193-L197 PolarHBondContact O-N 3.22Å; T194-L197 PolarHBondContact O-N 2.98Å; L197-L238 HydrophobicContact CB-CD2 3.71Å
198	G	95.8	Very high	93.7	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-68.1	171.6	179.9	0	0	0	0	0	114.6	P133 S135 T194 N239	P133-G198 WeakPolarHBondContact O-CA 3.49Å; S135-G198 WeakPolarHBondContact CB-O 2.99Å; S135-G198 PolarHBondContact OG-O 2.87Å; S135-G198 VanDerWaalsContact OG-O 3.09Å; T194-G198 PolarHBondContact O-N 2.78Å; G198-N239 WeakPolarHBondContact CA-ND2 3.4Å
199	H	95.3	Very high	93.7	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-65.3	149.5	171.4	-64.4	-75.4	0	0	0	112	H130 P132 P133 F134 I203 N239 Y241	H130-H199 VanDerWaalsContact CB-CD2 3.41Å; H130-H199 WeakPolarHBondContact CB-CD2 3.23Å; H130-H199 AromaticContact CD2-CD2 3.72Å; H130-H199 AromaticContact CD2-CE1 3.91Å; H130-H199 AromaticContact CD2-NE2 3.59Å; H130-H199 AromaticContact CG-CD2 3.34Å; H130-H199 AromaticContact CG-CG 3.92Å; H130-H199 AromaticContact CG-NE2 3.6Å; H130-H199 AromaticContact ND1-CD2 3.9Å; P132-H199 PolarHBondContact O-NE2 2.98Å; P133-H199 PolarHBondContact O-CD2 3.1Å; F134-H199 PolarHBondContact O-CE1 3.1Å; F134-H199 VanDerWaalsContact O-CE1 3.27Å; F134-H199 PolarHBondContact O-NE2 2.97Å; H199-I203 HydrophobicContact CB-CD1 3.75Å; H199-I203 HydrophobicContact CB-CG2 4.08Å; H199-N239 WeakPolarHBondContact O-CB 3.35Å; H199-N239 PolarHBondContact O-ND2 3.07Å; H199-Y241 PolarHBondContact O-OH 2.87Å
200	N	93.3	Very high	93.7	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-97.6	159.9	176.4	-176.3	21.2	0	0	0	110.5	T202 I203 Y241	N200-T202 PolarHBondContact ND2-OG1 3.47Å; N200-T202 PolarHBondContact O-N 2.62Å; N200-I203 VanDerWaalsContact O-CD1 3.31Å; N200-I203 WeakPolarHBondContact O-CD1 3.36Å; N200-I203 WeakPolarHBondContact O-CG1 3.4Å; N200-I203 VanDerWaalsContact O-CG2 3.29Å; N200-I203 WeakPolarHBondContact O-CG2 3.4Å; N200-I203 PolarHBondContact O-N 3.32Å; N200-I203 VanDerWaalsContact O-N 3.12Å; N200-Y241 VanDerWaalsContact C-OH 3.32Å; N200-Y241 VanDerWaalsContact CA-OH 3.28Å; N200-Y241 WeakPolarHBondContact CA-OH 3.14Å
201	I	92.4	Very high	93.5	Very high	42 Å²	42	38.9 Å²	38.9	22%	0.215	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.8	-20.6	178.2	-161.5	157.7	0	0	0	114.2	I203 F204 T222 I229 Y241	I201-I203 PolarHBondContact O-N 2.95Å; I201-F204 HydrophobicContact CG1-CD2 4.1Å; I201-F204 VanDerWaalsContact O-CD2 3.31Å; I201-F204 WeakPolarHBondContact O-CD2 3.36Å; I201-F204 PolarHBondContact O-N 3.48Å; I201-T222 HydrophobicContact CD1-CG2 3.44Å; I201-T222 VanDerWaalsContact CD1-CG2 3.44Å; I201-T222 HydrophobicContact CG1-CG2 4.09Å; I201-T222 HydrophobicContact CG2-CG2 4.45Å; I201-I229 HydrophobicContact CD1-CB 3.91Å; I201-I229 HydrophobicContact CD1-CD1 3.8Å; I201-I229 HydrophobicContact CD1-CG1 4.46Å; I201-I229 HydrophobicContact CD1-CG2 3.62Å; I201-I229 HydrophobicContact CG1-CD1 4.3Å; I201-I229 HydrophobicContact CG1-CG2 4.44Å; I201-Y241 HydrophobicContact CB-CE1 4.03Å; I201-Y241 HydrophobicContact CD1-CD1 4.4Å; I201-Y241 HydrophobicContact CD1-CE1 4.45Å; I201-Y241 HydrophobicContact CG1-CD1 4.47Å; I201-Y241 HydrophobicContact CG1-CE1 4.43Å; I201-Y241 PolarHBondContact N-OH 3.09Å; I201-Y241 VanDerWaalsContact N-OH 3.13Å
202	T	89.3	Confident	93.2	Very high	100 Å²	100	40 Å²	40	61%	0.613	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-65.8	-5.9	176.3	56.8	0	0	0	0	114	N200 F204	N200-T202 PolarHBondContact ND2-OG1 3.47Å; N200-T202 PolarHBondContact O-N 2.62Å; T202-F204 VanDerWaalsContact C-N 3.26Å
203	I	90.5	Very high	92.7	Very high	19 Å²	19	41 Å²	41	10%	0.097	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-68.7	-23.8	171.2	65	-161.7	0	0	0	112.8	H130 H199 N200 I201 F205 Y241 V261 G262	H130-I203 WeakPolarHBondContact CE1-CD1 3.31Å; H199-I203 HydrophobicContact CB-CD1 3.75Å; H199-I203 HydrophobicContact CB-CG2 4.08Å; N200-I203 VanDerWaalsContact O-CD1 3.31Å; N200-I203 WeakPolarHBondContact O-CD1 3.36Å; N200-I203 WeakPolarHBondContact O-CG1 3.4Å; N200-I203 VanDerWaalsContact O-CG2 3.29Å; N200-I203 WeakPolarHBondContact O-CG2 3.4Å; N200-I203 PolarHBondContact O-N 3.32Å; N200-I203 VanDerWaalsContact O-N 3.12Å; I201-I203 PolarHBondContact O-N 2.95Å; I203-F205 PolarHBondContact O-N 2.76Å; I203-F205 VanDerWaalsContact O-N 3.09Å; I203-Y241 HydrophobicContact CD1-CD2 4.11Å; I203-Y241 HydrophobicContact CD1-CE2 4.03Å; I203-V261 HydrophobicContact CG1-CG1 4.35Å; I203-V261 WeakPolarHBondContact O-CA 3.29Å; I203-G262 PolarHBondContact O-N 3.41Å
204	F	92.8	Very high	92.5	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	95	173.8	-60.4	-71	0	0	0	108.4	V128 I201 T202 C221 Y241 F243 L259 V261	V128-F204 HydrophobicContact CB-CE1 4.31Å; V128-F204 HydrophobicContact CB-CZ 4.21Å; V128-F204 HydrophobicContact CG1-CE1 4.21Å; V128-F204 HydrophobicContact CG1-CZ 4.35Å; V128-F204 HydrophobicContact CG2-CE1 4.48Å; I201-F204 HydrophobicContact CG1-CD2 4.1Å; I201-F204 VanDerWaalsContact O-CD2 3.31Å; I201-F204 WeakPolarHBondContact O-CD2 3.36Å; I201-F204 PolarHBondContact O-N 3.48Å; T202-F204 VanDerWaalsContact C-N 3.26Å; F204-C221 HydrophobicContact CB-CB 4.07Å; F204-Y241 AromaticContact CE2-CD2 3.74Å; F204-Y241 HydrophobicContact CE2-CD2 3.74Å; F204-Y241 AromaticContact CE2-CG 3.8Å; F204-Y241 HydrophobicContact CE2-CG 3.8Å; F204-Y241 HydrophobicContact CZ-CD2 4.21Å; F204-Y241 HydrophobicContact CZ-CG 4.35Å; F204-F243 AromaticContact CD1-CE2 4Å; F204-F243 HydrophobicContact CD1-CE2 4Å; F204-F243 AromaticContact CD1-CZ 3.94Å; F204-F243 HydrophobicContact CD1-CZ 3.94Å; F204-F243 HydrophobicContact CD2-CE2 4.23Å; F204-F243 HydrophobicContact CD2-CZ 4.06Å; F204-F243 AromaticContact CE1-CE2 3.68Å; F204-F243 HydrophobicContact CE1-CE2 3.68Å; F204-F243 HydrophobicContact CE1-CZ 4.12Å; F204-F243 AromaticContact CE2-CE2 3.93Å; F204-F243 HydrophobicContact CE2-CE2 3.93Å; F204-F243 HydrophobicContact CE2-CZ 4.22Å; F204-F243 HydrophobicContact CG-CE2 4.29Å; F204-F243 AromaticContact CG-CZ 3.94Å; F204-F243 HydrophobicContact CG-CZ 3.94Å; F204-F243 AromaticContact CZ-CE2 3.66Å; F204-F243 HydrophobicContact CZ-CE2 3.66Å; F204-F243 HydrophobicContact CZ-CZ 4.27Å; F204-L259 HydrophobicContact CD1-CD1 4.48Å; F204-L259 HydrophobicContact CE1-CD1 4.25Å; F204-V261 HydrophobicContact CD1-CB 4.49Å; F204-V261 HydrophobicContact CD1-CG1 4.23Å; F204-V261 HydrophobicContact CD1-CG2 3.81Å; F204-V261 HydrophobicContact CE1-CG1 4.04Å; F204-V261 HydrophobicContact CE1-CG2 3.81Å
205	F	87.7	Confident	92.3	Very high	45 Å²	45	45.5 Å²	45.5	20%	0.197	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-41	-176.1	-73.7	-14.8	0	0	0	112.4	I203 D219 I260 R453 L525	I203-F205 PolarHBondContact O-N 2.76Å; I203-F205 VanDerWaalsContact O-N 3.09Å; F205-D219 VanDerWaalsContact O-O 3.13Å; F205-I260 HydrophobicContact CB-CB 4.47Å; F205-I260 HydrophobicContact CB-CG2 4.13Å; F205-I260 HydrophobicContact CD2-CG2 4.23Å; F205-I260 PolarHBondContact N-O 2.93Å; F205-R453 VanDerWaalsContact CB-NH2 3.29Å; F205-R453 PolarHBondContact O-NH2 3.27Å; F205-L525 HydrophobicContact CD2-CD1 4.27Å; F205-L525 HydrophobicContact CE2-CD1 3.71Å
206	N	91.5	Very high	92.1	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	149.4	180	-78.2	84.5	0	0	0	108.4	E218 I260 L449 R453	N206-E218 CarbonylContact C-O 3.54Å; N206-E218 VanDerWaalsContact CA-O 3.32Å; N206-E218 WeakPolarHBondContact CA-O 3.48Å; N206-I260 HydrophobicContact CB-CB 4.33Å; N206-I260 HydrophobicContact CB-CD1 3.91Å; N206-I260 PolarHBondContact O-N 2.84Å; N206-L449 HydrophobicContact CB-CD1 4.25Å; N206-L449 VanDerWaalsContact OD1-CD1 3.3Å; N206-L449 WeakPolarHBondContact OD1-CD1 3.29Å; N206-R453 PolarHBondContact OD1-NE 2.76Å; N206-R453 PolarHBondContact OD1-NH2 2.87Å
207	C	95.4	Very high	91.9	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.027	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.1	171.4	41.9	0	0	0	0	110.6	F217 E218 C221 L224 S258 L259	C207-F217 CarbonylContact O-C 3.01Å; C207-F217 WeakPolarHBondContact O-CA 3.37Å; C207-E218 PolarHBondContact N-O 3.13Å; C207-E218 PolarHBondContact O-N 3.42Å; C207-C221 HydrophobicContact CB-CB 4.09Å; C207-C221 WeakPolarHBondContact CB-SG 3.13Å; C207-C221 PolarHBondContact N-SG 3Å; C207-C221 VanDerWaalsContact N-SG 3.39Å; C207-C221 WeakPolarHBondContact SG-CA 3.45Å; C207-C221 WeakPolarHBondContact SG-CB 2.94Å; C207-C221 CovalentContact SG-SG 2.04Å; C207-C221 PolarHBondContact SG-SG 2.91Å; C207-L224 HydrophobicContact CB-CD2 4.43Å; C207-S258 CarbonylContact C-O 3.53Å; C207-S258 WeakPolarHBondContact CA-O 3.39Å; C207-S258 WeakPolarHBondContact CB-O 3.38Å; C207-L259 HydrophobicContact CB-CD2 3.6Å
208	M	94.9	Very high	91.7	Very high	30 Å²	30	44.8 Å²	44.8	15%	0.148	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136	-178.8	178.3	-164.8	177.1	0	0	109.2	I210 I216 F217 F256 L257 S258	M208-I210 HydrophobicContact CE-CD1 3.7Å; M208-I210 HydrophobicContact CE-CG1 3.6Å; M208-I216 CarbonylContact C-O 3.55Å; M208-I216 VanDerWaalsContact CA-O 3.23Å; M208-I216 WeakPolarHBondContact CA-O 3.29Å; M208-F217 HydrophobicContact CB-CD1 3.84Å; M208-F217 HydrophobicContact CB-CE1 4.13Å; M208-F217 HydrophobicContact CE-CE1 3.7Å; M208-F217 HydrophobicContact CE-CZ 3.66Å; M208-F217 HydrophobicContact CG-CD1 3.6Å; M208-F217 HydrophobicContact CG-CE1 3.49Å; M208-F217 VanDerWaalsContact CG-CE1 3.49Å; M208-F217 HydrophobicContact CG-CG 4.37Å; M208-F217 HydrophobicContact CG-CZ 4.17Å; M208-F217 HydrophobicContact SD-CD1 4.03Å; M208-F217 HydrophobicContact SD-CE1 3.33Å; M208-F217 WeakPolarHBondContact SD-CE1 3.4Å; M208-F217 HydrophobicContact SD-CZ 3.96Å; M208-F256 HydrophobicContact CE-CE1 4.45Å; M208-F256 HydrophobicContact SD-CD1 4.41Å; M208-F256 HydrophobicContact SD-CE1 3.89Å; M208-L257 CarbonylContact O-C 3.6Å; M208-L257 WeakPolarHBondContact O-CA 3.41Å; M208-S258 PolarHBondContact N-O 2.75Å; M208-S258 PolarHBondContact O-N 2.99Å
209	R	94.6	Very high	91.3	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.9	172.2	179.4	-175	173.7	-149.9	-11.1	108.7	I216 L224 N225 Y227 A250 T254 F256	R209-I216 PolarHBondContact N-O 2.98Å; R209-I216 PolarHBondContact O-N 3.32Å; R209-L224 HydrophobicContact CB-CD1 3.94Å; R209-L224 HydrophobicContact CB-CD2 4.37Å; R209-L224 HydrophobicContact CB-CG 4.4Å; R209-N225 PolarHBondContact NH1-O 3.05Å; R209-Y227 HydrophobicContact CG-CE2 4.27Å; R209-A250 PolarHBondContact NH2-O 3.19Å; R209-T254 HydrophobicContact CG-CG2 3.92Å; R209-T254 PolarHBondContact NE-OG1 2.84Å; R209-T254 PolarHBondContact NH2-OG1 2.87Å; R209-F256 WeakPolarHBondContact CA-O 3.03Å
210	I	93.7	Very high	91.1	Very high	41 Å²	41	49.4 Å²	49.4	21%	0.21	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.8	164.5	-51.2	174.6	0	0	0	108	M208 I214 T255 F256	M208-I210 HydrophobicContact CE-CD1 3.7Å; M208-I210 HydrophobicContact CE-CG1 3.6Å; I210-I214 VanDerWaalsContact CA-O 3.3Å; I210-I214 WeakPolarHBondContact CA-O 3.28Å; I210-T255 PolarHBondContact O-N 2.83Å; I210-T255 PolarHBondContact O-OG1 3.13Å; I210-F256 HydrophobicContact CB-CB 3.7Å; I210-F256 HydrophobicContact CD1-CB 3.76Å; I210-F256 HydrophobicContact CD1-CD1 3.8Å; I210-F256 HydrophobicContact CD1-CD2 4.38Å; I210-F256 HydrophobicContact CD1-CE1 4.41Å; I210-F256 HydrophobicContact CD1-CG 3.77Å; I210-F256 HydrophobicContact CG1-CB 3.77Å; I210-F256 HydrophobicContact CG1-CD1 3.87Å; I210-F256 HydrophobicContact CG1-CG 4.08Å; I210-F256 PolarHBondContact N-O 3.39Å; I210-F256 PolarHBondContact O-N 2.94Å
211	Y	90.6	Very high	91.1	Very high	47 Å²	47	45.5 Å²	45.5	18%	0.184	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.6	173.4	71.9	-72.3	0	0	0	108.7	H213 I214 I216 E253	Y211-H213 PolarHBondContact O-N 3.24Å; Y211-I214 HydrophobicContact CE1-CB 4.08Å; Y211-I214 HydrophobicContact CE1-CG2 4.07Å; Y211-I214 PolarHBondContact N-O 3.45Å; Y211-I214 PolarHBondContact O-N 3.48Å; Y211-I216 HydrophobicContact CD1-CD1 4.19Å; Y211-I216 HydrophobicContact CE1-CD1 3.23Å; Y211-I216 HydrophobicContact CE1-CG1 3.69Å; Y211-E253 WeakPolarHBondContact CA-O 3.32Å
212	S	85.3	Confident	91.1	Very high	62 Å²	62	46.8 Å²	46.8	43%	0.434	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	40.9	178	-56.9	0	0	0	0	114.5	I214 E253	S212-I214 PolarHBondContact O-N 3.29Å; S212-E253 PolarHBondContact N-O 3.47Å; S212-E253 VanDerWaalsContact N-O 3.13Å
213	H	84.2	Confident	91.2	Very high	180 Å²	180	47 Å²	47	83%	0.833	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	7.5	-176.3	-49.2	-78.2	0	0	0	116.7	Y211	Y211-H213 PolarHBondContact O-N 3.24Å
214	I	91.3	Very high	91.3	Very high	90 Å²	90	46.2 Å²	46.2	46%	0.462	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.4	175.3	-59	172.2	0	0	0	109.3	I210 Y211 S212	I210-I214 VanDerWaalsContact CA-O 3.3Å; I210-I214 WeakPolarHBondContact CA-O 3.28Å; Y211-I214 HydrophobicContact CE1-CB 4.08Å; Y211-I214 HydrophobicContact CE1-CG2 4.07Å; Y211-I214 PolarHBondContact N-O 3.45Å; Y211-I214 PolarHBondContact O-N 3.48Å; S212-I214 PolarHBondContact O-N 3.29Å
215	S	91.6	Very high	91.2	Very high	58 Å²	58	50.6 Å²	50.6	41%	0.406	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.7	172.3	54.8	0	0	0	0	111.1	F217	S215-F217 WeakPolarHBondContact OG-CE2 3.47Å
216	I	91.3	Very high	91.4	Very high	31 Å²	31	48.9 Å²	48.9	16%	0.159	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.5	166.4	-71.8	171.3	0	0	0	108.3	M208 R209 Y211 E218 L224 N225	M208-I216 CarbonylContact C-O 3.55Å; M208-I216 VanDerWaalsContact CA-O 3.23Å; M208-I216 WeakPolarHBondContact CA-O 3.29Å; R209-I216 PolarHBondContact N-O 2.98Å; R209-I216 PolarHBondContact O-N 3.32Å; Y211-I216 HydrophobicContact CD1-CD1 4.19Å; Y211-I216 HydrophobicContact CE1-CD1 3.23Å; Y211-I216 HydrophobicContact CE1-CG1 3.69Å; I216-E218 HydrophobicContact CG2-CG 4.23Å; I216-L224 HydrophobicContact CG2-CD1 4.26Å; I216-N225 HydrophobicContact CD1-CB 4.25Å
217	F	91.6	Very high	91.5	Very high	71 Å²	71	49 Å²	49	31%	0.311	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.4	175.7	-55.5	-93.3	0	0	0	108.3	C207 M208 S215 L452 N456	C207-F217 CarbonylContact O-C 3.01Å; C207-F217 WeakPolarHBondContact O-CA 3.37Å; M208-F217 HydrophobicContact CB-CD1 3.84Å; M208-F217 HydrophobicContact CB-CE1 4.13Å; M208-F217 HydrophobicContact CE-CE1 3.7Å; M208-F217 HydrophobicContact CE-CZ 3.66Å; M208-F217 HydrophobicContact CG-CD1 3.6Å; M208-F217 HydrophobicContact CG-CE1 3.49Å; M208-F217 VanDerWaalsContact CG-CE1 3.49Å; M208-F217 HydrophobicContact CG-CG 4.37Å; M208-F217 HydrophobicContact CG-CZ 4.17Å; M208-F217 HydrophobicContact SD-CD1 4.03Å; M208-F217 HydrophobicContact SD-CE1 3.33Å; M208-F217 WeakPolarHBondContact SD-CE1 3.4Å; M208-F217 HydrophobicContact SD-CZ 3.96Å; S215-F217 WeakPolarHBondContact OG-CE2 3.47Å; F217-L452 HydrophobicContact CD1-CD2 4.36Å; F217-N456 VanDerWaalsContact O-CG 3.31Å; F217-N456 PolarHBondContact O-ND2 3.38Å; F217-N456 PolarHBondContact O-OD1 3.23Å; F217-N456 VanDerWaalsContact O-OD1 3.07Å
218	E	92	Very high	91.4	Very high	4 Å²	4	54 Å²	54	2%	0.019	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.1	172.3	-64.8	-59.4	162.3	0	0	110.7	N206 C207 I216 L224 N456 Q460	N206-E218 CarbonylContact C-O 3.54Å; N206-E218 VanDerWaalsContact CA-O 3.32Å; N206-E218 WeakPolarHBondContact CA-O 3.48Å; C207-E218 PolarHBondContact N-O 3.13Å; C207-E218 PolarHBondContact O-N 3.42Å; I216-E218 HydrophobicContact CG2-CG 4.23Å; E218-L224 HydrophobicContact CB-CD1 4.5Å; E218-L224 HydrophobicContact CG-CB 4.43Å; E218-L224 HydrophobicContact CG-CD1 4.05Å; E218-N456 WeakPolarHBondContact CA-ND2 3.21Å; E218-N456 PolarHBondContact OE2-ND2 3.25Å; E218-Q460 PolarHBondContact OE1-NE2 3.17Å
219	D	88.1	Confident	91.5	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.193	28%	0.28	C	S	.	.	S	Bend	trans	-86.8	-25.9	168.4	65.7	-48.5	0	0	0	111.5	F205 R453 N456 Q457	F205-D219 VanDerWaalsContact O-O 3.13Å; D219-R453 HydrophobicContact CB-CB 4.24Å; D219-R453 HydrophobicContact CB-CG 3.77Å; D219-N456 PolarHBondContact N-ND2 3.19Å; D219-N456 PolarHBondContact OD1-ND2 3.01Å; D219-Q457 WeakPolarHBondContact OD2-CG 3.09Å; D219-Q457 PolarHBondContact OD2-NE2 3.42Å
220	N	90	Very high	91.5	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	29%	0.288	S	S	.	.	S	Bend	trans	-109.4	102.7	165.8	-179.6	1	0	0	0	110.5	T222 L223	N220-T222 PolarHBondContact ND2-OG1 3.05Å; N220-T222 VanDerWaalsContact ND2-OG1 3.12Å; N220-T222 PolarHBondContact O-N 3.33Å; N220-T222 WeakPolarHBondContact OD1-CB 3.37Å; N220-T222 PolarHBondContact OD1-N 2.88Å; N220-T222 VanDerWaalsContact OD1-N 3.16Å; N220-T222 PolarHBondContact OD1-OG1 2.71Å; N220-L223 HydrophobicContact CB-CD1 4.13Å; N220-L223 HydrophobicContact CB-CG 4.26Å; N220-L223 WeakPolarHBondContact O-CB 3.31Å; N220-L223 PolarHBondContact O-N 3.35Å
221	C	93.5	Very high	91.6	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.041	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-65.5	-12.4	-175.1	-65.6	0	0	0	0	116.1	F204 C207 L223 L224 I229 F243	F204-C221 HydrophobicContact CB-CB 4.07Å; C207-C221 HydrophobicContact CB-CB 4.09Å; C207-C221 WeakPolarHBondContact CB-SG 3.13Å; C207-C221 PolarHBondContact N-SG 3Å; C207-C221 VanDerWaalsContact N-SG 3.39Å; C207-C221 WeakPolarHBondContact SG-CA 3.45Å; C207-C221 WeakPolarHBondContact SG-CB 2.94Å; C207-C221 CovalentContact SG-SG 2.04Å; C207-C221 PolarHBondContact SG-SG 2.91Å; C221-L223 PolarHBondContact O-N 2.87Å; C221-L224 WeakPolarHBondContact O-CB 3.43Å; C221-L224 PolarHBondContact O-N 3.28Å; C221-I229 HydrophobicContact CB-CD1 3.98Å; C221-I229 VanDerWaalsContact O-CD1 3.31Å; C221-I229 WeakPolarHBondContact O-CD1 3.42Å; C221-F243 HydrophobicContact CB-CE1 4.05Å; C221-F243 HydrophobicContact CB-CZ 4.19Å
222	T	92.6	Very high	91.7	Very high	69 Å²	69	55.1 Å²	55.1	42%	0.423	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-68.2	-19.6	170	62.2	0	0	0	0	113.2	I201 N220 I229	I201-T222 HydrophobicContact CD1-CG2 3.44Å; I201-T222 VanDerWaalsContact CD1-CG2 3.44Å; I201-T222 HydrophobicContact CG1-CG2 4.09Å; I201-T222 HydrophobicContact CG2-CG2 4.45Å; N220-T222 PolarHBondContact ND2-OG1 3.05Å; N220-T222 VanDerWaalsContact ND2-OG1 3.12Å; N220-T222 PolarHBondContact O-N 3.33Å; N220-T222 WeakPolarHBondContact OD1-CB 3.37Å; N220-T222 PolarHBondContact OD1-N 2.88Å; N220-T222 VanDerWaalsContact OD1-N 3.16Å; N220-T222 PolarHBondContact OD1-OG1 2.71Å; T222-I229 HydrophobicContact CG2-CD1 4.5Å
223	L	91.8	Very high	92.2	Very high	103 Å²	103	52.4 Å²	52.4	54%	0.539	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-92.6	-0.9	178.9	-55.5	179.8	0	0	0	112.9	N220 C221 N225	N220-L223 HydrophobicContact CB-CD1 4.13Å; N220-L223 HydrophobicContact CB-CG 4.26Å; N220-L223 WeakPolarHBondContact O-CB 3.31Å; N220-L223 PolarHBondContact O-N 3.35Å; C221-L223 PolarHBondContact O-N 2.87Å; L223-N225 PolarHBondContact O-N 2.82Å
224	L	92.5	Very high	92.8	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.23	C	C	.	.			trans	-62.4	109	-176.6	-172.4	68.6	0	0	0	110.9	C207 R209 I216 E218 C221 G226 Y227 L257	C207-L224 HydrophobicContact CB-CD2 4.43Å; R209-L224 HydrophobicContact CB-CD1 3.94Å; R209-L224 HydrophobicContact CB-CD2 4.37Å; R209-L224 HydrophobicContact CB-CG 4.4Å; I216-L224 HydrophobicContact CG2-CD1 4.26Å; E218-L224 HydrophobicContact CB-CD1 4.5Å; E218-L224 HydrophobicContact CG-CB 4.43Å; E218-L224 HydrophobicContact CG-CD1 4.05Å; C221-L224 WeakPolarHBondContact O-CB 3.43Å; C221-L224 PolarHBondContact O-N 3.28Å; L224-G226 PolarHBondContact O-N 3.42Å; L224-Y227 HydrophobicContact CD2-CG 4.4Å; L224-Y227 PolarHBondContact O-N 3.38Å; L224-L257 HydrophobicContact CD2-CD1 3.86Å
225	N	90.6	Very high	92.9	Very high	100 Å²	100	40.8 Å²	40.8	54%	0.535	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	139.4	-176	-171.6	10.5	0	0	0	111.9	R209 I216 L223 Y227	R209-N225 PolarHBondContact NH1-O 3.05Å; I216-N225 HydrophobicContact CD1-CB 4.25Å; L223-N225 PolarHBondContact O-N 2.82Å; N225-Y227 PolarHBondContact O-N 3Å
226	G	91.5	Very high	93	Very high	8 Å²	8	39.2 Å²	39.2	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	0.2	179.4	0	0	0	0	0	115.9	L224 P245 I246	L224-G226 PolarHBondContact O-N 3.42Å; G226-P245 WeakPolarHBondContact O-CA 3.42Å; G226-I246 PolarHBondContact O-N 3.2Å
227	Y	93.5	Very high	93.2	Very high	11 Å²	11	39.3 Å²	39.3	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.1	174.4	-83.7	-102.8	0	0	0	111.4	F123 R209 L224 N225 F243 E244 P245 T254 L257	F123-Y227 WeakPolarHBondContact CD1-OH 3.41Å; F123-Y227 WeakPolarHBondContact CE1-OH 3.5Å; R209-Y227 HydrophobicContact CG-CE2 4.27Å; L224-Y227 HydrophobicContact CD2-CG 4.4Å; L224-Y227 PolarHBondContact O-N 3.38Å; N225-Y227 PolarHBondContact O-N 3Å; Y227-F243 HydrophobicContact CD1-CB 4.09Å; Y227-F243 HydrophobicContact CE1-CB 4.47Å; Y227-E244 CarbonylContact C-O 3.22Å; Y227-E244 WeakPolarHBondContact CA-O 3.43Å; Y227-P245 HydrophobicContact CE1-CG 3.85Å; Y227-T254 HydrophobicContact CE2-CG2 4.18Å; Y227-T254 WeakPolarHBondContact OH-CG2 3.3Å; Y227-L257 HydrophobicContact CE1-CD2 4.2Å
228	R	94.8	Very high	93.4	Very high	108 Å²	108	36 Å²	36	41%	0.408	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.7	164.8	64.8	178.7	-178.3	-166	-9.1	109.1	K230 E244 I246	R228-K230 VanDerWaalsContact CZ-CE 3.42Å; R228-E244 HydrophobicContact CG-CB 4.14Å; R228-E244 IonicContact CZ-OE1 2.7Å; R228-E244 IonicContact CZ-OE2 2.64Å; R228-E244 VanDerWaalsContact CZ-OE2 3.28Å; R228-E244 PolarHBondContact N-O 2.7Å; R228-E244 IonicContact NE-OE1 3.43Å; R228-E244 IonicContact NE-OE2 3.59Å; R228-E244 PolarHBondContact NE-OE2 2.85Å; R228-E244 IonicContact NH2-OE1 2.71Å; R228-E244 PolarHBondContact NH2-OE1 2.8Å; R228-E244 IonicContact NH2-OE2 3.73Å; R228-E244 PolarHBondContact NH2-OE2 3.41Å; R228-E244 PolarHBondContact O-N 2.76Å; R228-I246 HydrophobicContact CB-CG1 4.24Å
229	I	95.8	Very high	93.7	Very high	37 Å²	37	36 Å²	36	19%	0.19	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.2	174.2	-57.5	172.1	0	0	0	108.1	I201 C221 T222 Y241 T242 F243	I201-I229 HydrophobicContact CD1-CB 3.91Å; I201-I229 HydrophobicContact CD1-CD1 3.8Å; I201-I229 HydrophobicContact CD1-CG1 4.46Å; I201-I229 HydrophobicContact CD1-CG2 3.62Å; I201-I229 HydrophobicContact CG1-CD1 4.3Å; I201-I229 HydrophobicContact CG1-CG2 4.44Å; C221-I229 HydrophobicContact CB-CD1 3.98Å; C221-I229 VanDerWaalsContact O-CD1 3.31Å; C221-I229 WeakPolarHBondContact O-CD1 3.42Å; T222-I229 HydrophobicContact CG2-CD1 4.5Å; I229-Y241 HydrophobicContact CG2-CD1 3.87Å; I229-Y241 HydrophobicContact CG2-CG 4.31Å; I229-T242 WeakPolarHBondContact CA-O 3.33Å; I229-F243 HydrophobicContact CD1-CD1 4.14Å; I229-F243 HydrophobicContact CD1-CE1 3.47Å; I229-F243 VanDerWaalsContact CD1-CE1 3.47Å; I229-F243 HydrophobicContact CD1-CE2 4.39Å; I229-F243 HydrophobicContact CD1-CZ 3.61Å; I229-F243 HydrophobicContact CG1-CD1 3.88Å; I229-F243 HydrophobicContact CG1-CE1 3.75Å; I229-F243 HydrophobicContact CG1-CG 4.34Å; I229-F243 HydrophobicContact CG1-CZ 4.08Å
230	K	94.7	Very high	94.1	Very high	44 Å²	44	34.3 Å²	34.3	19%	0.191	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136	172.8	-74.1	-178.8	174.1	162.9	0	110.2	R228 Y241 T242 E244	R228-K230 VanDerWaalsContact CZ-CE 3.42Å; K230-Y241 CarbonylContact O-C 3.57Å; K230-Y241 WeakPolarHBondContact O-CA 3.19Å; K230-T242 PolarHBondContact N-O 2.86Å; K230-T242 PolarHBondContact O-N 2.81Å; K230-E244 VanDerWaalsContact CD-OE2 3.23Å; K230-E244 WeakPolarHBondContact CD-OE2 3.48Å; K230-E244 WeakPolarHBondContact CE-OE2 3.32Å; K230-E244 IonicContact NZ-OE1 3.28Å; K230-E244 IonicContact NZ-OE2 2.78Å; K230-E244 PolarHBondContact NZ-OE2 3.42Å
231	Q	95.3	Very high	94.5	Very high	66 Å²	66	31.5 Å²	31.5	31%	0.308	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133	170.6	-176.6	-179.8	-13.2	0	0	109.9	N239 C240 Y241 I346	Q231-N239 VanDerWaalsContact NE2-CG 3.29Å; Q231-N239 PolarHBondContact NE2-OD1 3.04Å; Q231-C240 CarbonylContact C-O 3.56Å; Q231-C240 WeakPolarHBondContact CA-O 3.42Å; Q231-Y241 HydrophobicContact CB-CD1 4.24Å; Q231-Y241 HydrophobicContact CB-CE1 3.99Å; Q231-Y241 HydrophobicContact CG-CD1 4.49Å; Q231-Y241 HydrophobicContact CG-CE1 3.99Å; Q231-I346 VanDerWaalsContact O-CD1 3.22Å; Q231-I346 WeakPolarHBondContact O-CD1 3.39Å
232	L	94.5	Very high	94.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.7	173.8	168.4	74.5	0	0	0	108.8	T127 C240 M297 P298 L300 Y348	T127-L232 HydrophobicContact CG2-CD2 4.39Å; L232-C240 HydrophobicContact CB-CB 4.13Å; L232-C240 HydrophobicContact CD2-CB 4.18Å; L232-C240 HydrophobicContact CG-CB 4.46Å; L232-C240 PolarHBondContact N-O 3.36Å; L232-C240 PolarHBondContact O-N 2.87Å; L232-M297 HydrophobicContact CD1-CE 3.51Å; L232-M297 HydrophobicContact CD1-SD 3.75Å; L232-P298 HydrophobicContact CD2-CG 3.49Å; L232-P298 VanDerWaalsContact CD2-CG 3.49Å; L232-L300 HydrophobicContact CD2-CD1 4.28Å; L232-Y348 VanDerWaalsContact CD1-OH 3.31Å; L232-Y348 WeakPolarHBondContact CD1-OH 3.47Å
233	S	95.5	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111	173.3	-166.7	0	0	0	0	111.2	Y186 L238 R377	Y186-S233 WeakPolarHBondContact CE2-OG 3.27Å; Y186-S233 PolarHBondContact OH-OG 2.97Å; S233-L238 CarbonylContact C-O 3.56Å; S233-L238 WeakPolarHBondContact CA-O 3.37Å; S233-R377 PolarHBondContact O-NH1 2.93Å; S233-R377 VanDerWaalsContact O-NH1 3.11Å; S233-R377 PolarHBondContact O-NH2 3.3Å
234	H	95.7	Very high	95	Very high	20 Å²	20	23.6 Å²	23.6	9%	0.093	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	142.4	178.3	-162	-95.7	0	0	0	111.1	Q236 Y237 L238 L300	H234-Q236 VanDerWaalsContact C-N 3.35Å; H234-Q236 PolarHBondContact ND1-N 3.48Å; H234-Q236 PolarHBondContact O-N 3.35Å; H234-Y237 HydrophobicContact CB-CD2 4.34Å; H234-Y237 AromaticContact CE1-CD2 3.87Å; H234-Y237 AromaticContact CG-CD2 3.88Å; H234-Y237 AromaticContact ND1-CD2 3.32Å; H234-Y237 VanDerWaalsContact ND1-CD2 3.32Å; H234-Y237 WeakPolarHBondContact ND1-CD2 3.49Å; H234-Y237 AromaticContact ND1-CE2 3.93Å; H234-Y237 PolarHBondContact O-N 2.71Å; H234-L238 PolarHBondContact N-O 2.96Å; H234-L238 WeakPolarHBondContact O-CA 3.41Å; H234-L238 PolarHBondContact O-N 3.42Å; H234-L300 HydrophobicContact CB-CD1 4.31Å; H234-L300 WeakPolarHBondContact CD2-CD1 3.37Å
235	H	94.8	Very high	95.2	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.028	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.2	-177	61.8	88.9	0	0	0	113.3	S183 Y186 V373 M374	S183-H235 WeakPolarHBondContact CB-ND1 3.22Å; S183-H235 PolarHBondContact OG-ND1 2.84Å; Y186-H235 HydrophobicContact CD1-CB 4Å; Y186-H235 HydrophobicContact CE1-CB 4.48Å; Y186-H235 HydrophobicContact CG-CB 4.21Å; H235-V373 HydrophobicContact CB-CG1 4.35Å; H235-V373 HydrophobicContact CB-CG2 3.61Å; H235-M374 VanDerWaalsContact CE1-CE 3.44Å; H235-M374 WeakPolarHBondContact CE1-CE 3.33Å; H235-M374 PolarHBondContact CE1-SD 3.47Å; H235-M374 PolarHBondContact NE2-SD 2.02Å
236	Q	93.9	Very high	95.3	Very high	26 Å²	26	23.2 Å²	23.2	12%	0.121	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-21.8	174.7	-83.3	163.2	-26.5	0	0	114.8	L182 H234 E282	L182-Q236 WeakPolarHBondContact CD2-O 3.45Å; H234-Q236 VanDerWaalsContact C-N 3.35Å; H234-Q236 PolarHBondContact ND1-N 3.48Å; H234-Q236 PolarHBondContact O-N 3.35Å; Q236-E282 PolarHBondContact NE2-OE2 3.48Å
237	Y	95.1	Very high	95.4	Very high	32 Å²	32	26.7 Å²	26.7	13%	0.125	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-0.3	-172.5	-55.4	-61.6	0	0	0	113.8	C129 H130 P133 H234 N239 R288 L300	C129-Y237 HydrophobicContact CB-CD1 4.5Å; C129-Y237 HydrophobicContact CB-CD2 4.14Å; C129-Y237 HydrophobicContact CB-CG 3.9Å; H130-Y237 VanDerWaalsContact O-CD1 3.26Å; H130-Y237 WeakPolarHBondContact O-CD1 3.47Å; P133-Y237 WeakPolarHBondContact CB-O 3.41Å; H234-Y237 HydrophobicContact CB-CD2 4.34Å; H234-Y237 AromaticContact CE1-CD2 3.87Å; H234-Y237 AromaticContact CG-CD2 3.88Å; H234-Y237 AromaticContact ND1-CD2 3.32Å; H234-Y237 VanDerWaalsContact ND1-CD2 3.32Å; H234-Y237 WeakPolarHBondContact ND1-CD2 3.49Å; H234-Y237 AromaticContact ND1-CE2 3.93Å; H234-Y237 PolarHBondContact O-N 2.71Å; Y237-N239 PolarHBondContact O-N 2.89Å; Y237-R288 HydrophobicContact CE1-CB 4.34Å; Y237-R288 HydrophobicContact CE2-CB 4.46Å; Y237-R288 HydrophobicContact CE2-CG 4.17Å; Y237-L300 HydrophobicContact CD2-CD1 4.08Å; Y237-L300 HydrophobicContact CE2-CB 4.11Å; Y237-L300 HydrophobicContact CE2-CD1 4.46Å
238	L	95.9	Very high	95.3	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.2	-102.1	-173	-78	72.8	0	0	0	111.6	P133 F134 L182 Y186 L197 S233 H234	P133-L238 HydrophobicContact CB-CB 4.04Å; P133-L238 HydrophobicContact CB-CD1 3.56Å; P133-L238 HydrophobicContact CB-CG 4.24Å; P133-L238 HydrophobicContact CG-CD1 3.83Å; F134-L238 HydrophobicContact CD1-CD2 4Å; F134-L238 HydrophobicContact CE1-CD1 4.21Å; F134-L238 HydrophobicContact CE1-CD2 3.78Å; L182-L238 HydrophobicContact CD1-CD1 4.01Å; Y186-L238 HydrophobicContact CD2-CG 4.31Å; L197-L238 HydrophobicContact CB-CD2 3.71Å; S233-L238 CarbonylContact C-O 3.56Å; S233-L238 WeakPolarHBondContact CA-O 3.37Å; H234-L238 PolarHBondContact N-O 2.96Å; H234-L238 WeakPolarHBondContact O-CA 3.41Å; H234-L238 PolarHBondContact O-N 3.42Å
239	N	96.8	Very high	95.1	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.3	-177.7	-66.9	-18.9	0	0	0	110.7	I195 G198 H199 Q231 Y237 Y241	I195-N239 PolarHBondContact O-ND2 3.3Å; G198-N239 WeakPolarHBondContact CA-ND2 3.4Å; H199-N239 WeakPolarHBondContact O-CB 3.35Å; H199-N239 PolarHBondContact O-ND2 3.07Å; Q231-N239 VanDerWaalsContact NE2-CG 3.29Å; Q231-N239 PolarHBondContact NE2-OD1 3.04Å; Y237-N239 PolarHBondContact O-N 2.89Å; N239-Y241 HydrophobicContact CB-CE2 4.39Å
240	C	97.4	Very high	95	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.7	167.4	-59.5	0	0	0	0	110.1	T127 V128 C129 Q231 L232	T127-C240 HydrophobicContact CG2-CB 4.11Å; V128-C240 WeakPolarHBondContact O-CA 3.33Å; C129-C240 HydrophobicContact CB-CB 4.08Å; C129-C240 WeakPolarHBondContact CB-SG 3.31Å; C129-C240 WeakPolarHBondContact SG-CB 3.47Å; C129-C240 CovalentContact SG-SG 2.02Å; C129-C240 PolarHBondContact SG-SG 2.83Å; Q231-C240 CarbonylContact C-O 3.56Å; Q231-C240 WeakPolarHBondContact CA-O 3.42Å; L232-C240 HydrophobicContact CB-CB 4.13Å; L232-C240 HydrophobicContact CD2-CB 4.18Å; L232-C240 HydrophobicContact CG-CB 4.46Å; L232-C240 PolarHBondContact N-O 3.36Å; L232-C240 PolarHBondContact O-N 2.87Å
241	Y	97.4	Very high	94.9	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.5	-179.7	-65.5	-77.3	0	0	0	111	T127 V128 H199 N200 I201 I203 F204 I229 K230 Q231 N239	T127-Y241 WeakPolarHBondContact CA-O 3.18Å; V128-Y241 PolarHBondContact N-O 2.89Å; V128-Y241 PolarHBondContact O-N 2.93Å; H199-Y241 PolarHBondContact O-OH 2.87Å; N200-Y241 VanDerWaalsContact C-OH 3.32Å; N200-Y241 VanDerWaalsContact CA-OH 3.28Å; N200-Y241 WeakPolarHBondContact CA-OH 3.14Å; I201-Y241 HydrophobicContact CB-CE1 4.03Å; I201-Y241 HydrophobicContact CD1-CD1 4.4Å; I201-Y241 HydrophobicContact CD1-CE1 4.45Å; I201-Y241 HydrophobicContact CG1-CD1 4.47Å; I201-Y241 HydrophobicContact CG1-CE1 4.43Å; I201-Y241 PolarHBondContact N-OH 3.09Å; I201-Y241 VanDerWaalsContact N-OH 3.13Å; I203-Y241 HydrophobicContact CD1-CD2 4.11Å; I203-Y241 HydrophobicContact CD1-CE2 4.03Å; F204-Y241 AromaticContact CE2-CD2 3.74Å; F204-Y241 HydrophobicContact CE2-CD2 3.74Å; F204-Y241 AromaticContact CE2-CG 3.8Å; F204-Y241 HydrophobicContact CE2-CG 3.8Å; F204-Y241 HydrophobicContact CZ-CD2 4.21Å; F204-Y241 HydrophobicContact CZ-CG 4.35Å; I229-Y241 HydrophobicContact CG2-CD1 3.87Å; I229-Y241 HydrophobicContact CG2-CG 4.31Å; K230-Y241 CarbonylContact O-C 3.57Å; K230-Y241 WeakPolarHBondContact O-CA 3.19Å; Q231-Y241 HydrophobicContact CB-CD1 4.24Å; Q231-Y241 HydrophobicContact CB-CE1 3.99Å; Q231-Y241 HydrophobicContact CG-CD1 4.49Å; Q231-Y241 HydrophobicContact CG-CE1 3.99Å; N239-Y241 HydrophobicContact CB-CE2 4.39Å
242	T	97.4	Very high	94.7	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.7	178.4	-52.1	0	0	0	0	110	L126 T127 I229 K230 E244	L126-T242 CarbonylContact O-C 3.52Å; L126-T242 WeakPolarHBondContact O-CA 3.31Å; T127-T242 WeakPolarHBondContact OG1-CB 3.24Å; T127-T242 WeakPolarHBondContact OG1-CG2 3.47Å; T127-T242 PolarHBondContact OG1-OG1 3.43Å; I229-T242 WeakPolarHBondContact CA-O 3.33Å; K230-T242 PolarHBondContact N-O 2.86Å; K230-T242 PolarHBondContact O-N 2.81Å; T242-E244 HydrophobicContact CG2-CB 4.46Å; T242-E244 PolarHBondContact O-N 2.69Å
243	F	97.3	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	107.4	167.6	-73.5	-102.8	0	0	0	108.5	S125 L126 F204 C221 Y227 I229 L257 L259	S125-F243 VanDerWaalsContact CA-O 3.28Å; S125-F243 WeakPolarHBondContact CA-O 3.46Å; L126-F243 PolarHBondContact N-O 2.87Å; L126-F243 PolarHBondContact O-N 2.9Å; F204-F243 AromaticContact CD1-CE2 4Å; F204-F243 HydrophobicContact CD1-CE2 4Å; F204-F243 AromaticContact CD1-CZ 3.94Å; F204-F243 HydrophobicContact CD1-CZ 3.94Å; F204-F243 HydrophobicContact CD2-CE2 4.23Å; F204-F243 HydrophobicContact CD2-CZ 4.06Å; F204-F243 AromaticContact CE1-CE2 3.68Å; F204-F243 HydrophobicContact CE1-CE2 3.68Å; F204-F243 HydrophobicContact CE1-CZ 4.12Å; F204-F243 AromaticContact CE2-CE2 3.93Å; F204-F243 HydrophobicContact CE2-CE2 3.93Å; F204-F243 HydrophobicContact CE2-CZ 4.22Å; F204-F243 HydrophobicContact CG-CE2 4.29Å; F204-F243 AromaticContact CG-CZ 3.94Å; F204-F243 HydrophobicContact CG-CZ 3.94Å; F204-F243 AromaticContact CZ-CE2 3.66Å; F204-F243 HydrophobicContact CZ-CE2 3.66Å; F204-F243 HydrophobicContact CZ-CZ 4.27Å; C221-F243 HydrophobicContact CB-CE1 4.05Å; C221-F243 HydrophobicContact CB-CZ 4.19Å; Y227-F243 HydrophobicContact CD1-CB 4.09Å; Y227-F243 HydrophobicContact CE1-CB 4.47Å; I229-F243 HydrophobicContact CD1-CD1 4.14Å; I229-F243 HydrophobicContact CD1-CE1 3.47Å; I229-F243 VanDerWaalsContact CD1-CE1 3.47Å; I229-F243 HydrophobicContact CD1-CE2 4.39Å; I229-F243 HydrophobicContact CD1-CZ 3.61Å; I229-F243 HydrophobicContact CG1-CD1 3.88Å; I229-F243 HydrophobicContact CG1-CE1 3.75Å; I229-F243 HydrophobicContact CG1-CG 4.34Å; I229-F243 HydrophobicContact CG1-CZ 4.08Å; F243-L257 HydrophobicContact CB-CD2 4.02Å; F243-L257 HydrophobicContact CG-CD2 4.46Å; F243-L259 HydrophobicContact CD1-CD2 4.18Å; F243-L259 HydrophobicContact CD2-CD1 3.96Å; F243-L259 HydrophobicContact CE1-CD2 3.67Å; F243-L259 HydrophobicContact CE2-CD1 3.77Å; F243-L259 HydrophobicContact CE2-CD2 4.08Å; F243-L259 HydrophobicContact CZ-CD1 4.18Å; F243-L259 HydrophobicContact CZ-CD2 3.62Å
244	E	95.4	Very high	94.4	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.1	-175.8	-176.7	-174.6	-175.8	0	0	110	S125 Y227 R228 K230 T242 I294 G295	S125-E244 WeakPolarHBondContact OG-CG 3.33Å; Y227-E244 CarbonylContact C-O 3.22Å; Y227-E244 WeakPolarHBondContact CA-O 3.43Å; R228-E244 HydrophobicContact CG-CB 4.14Å; R228-E244 IonicContact CZ-OE1 2.7Å; R228-E244 IonicContact CZ-OE2 2.64Å; R228-E244 VanDerWaalsContact CZ-OE2 3.28Å; R228-E244 PolarHBondContact N-O 2.7Å; R228-E244 IonicContact NE-OE1 3.43Å; R228-E244 IonicContact NE-OE2 3.59Å; R228-E244 PolarHBondContact NE-OE2 2.85Å; R228-E244 IonicContact NH2-OE1 2.71Å; R228-E244 PolarHBondContact NH2-OE1 2.8Å; R228-E244 IonicContact NH2-OE2 3.73Å; R228-E244 PolarHBondContact NH2-OE2 3.41Å; R228-E244 PolarHBondContact O-N 2.76Å; K230-E244 VanDerWaalsContact CD-OE2 3.23Å; K230-E244 WeakPolarHBondContact CD-OE2 3.48Å; K230-E244 WeakPolarHBondContact CE-OE2 3.32Å; K230-E244 IonicContact NZ-OE1 3.28Å; K230-E244 IonicContact NZ-OE2 2.78Å; K230-E244 PolarHBondContact NZ-OE2 3.42Å; T242-E244 HydrophobicContact CG2-CB 4.46Å; T242-E244 PolarHBondContact O-N 2.69Å; E244-I294 HydrophobicContact CG-CG2 3.66Å; E244-I294 VanDerWaalsContact OE1-CG2 3.24Å; E244-I294 WeakPolarHBondContact OE1-CG2 3.5Å; E244-G295 VanDerWaalsContact OE1-CA 3.31Å; E244-G295 WeakPolarHBondContact OE1-CA 3.47Å; E244-G295 PolarHBondContact OE1-N 3.11Å
245	P	95.4	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	137.8	170.2	-21	30.9	0	0	0	111.7	G226 Y227 N247 A251 I294	G226-P245 WeakPolarHBondContact O-CA 3.42Å; Y227-P245 HydrophobicContact CE1-CG 3.85Å; P245-N247 VanDerWaalsContact C-N 3.34Å; P245-N247 PolarHBondContact O-N 3.21Å; P245-A251 HydrophobicContact CB-CB 3.76Å; P245-A251 HydrophobicContact CG-CB 3.92Å; P245-I294 HydrophobicContact CB-CD1 4.01Å; P245-I294 HydrophobicContact CG-CD1 3.84Å; P245-I294 HydrophobicContact CG-CG1 4.27Å
246	I	93.8	Very high	94.1	Very high	96 Å²	96	34.3 Å²	34.3	49%	0.492	18%	0.175	S	C	.	.	S	Bend	trans	-66.8	-37.6	-177.1	-65.3	171.1	0	0	0	111.6	G226 R228	G226-I246 PolarHBondContact O-N 3.2Å; R228-I246 HydrophobicContact CB-CG1 4.24Å
247	N	92.8	Very high	94.2	Very high	80 Å²	80	33 Å²	33	43%	0.428	17%	0.169	S	C	.	.	S	Bend	trans	-146.5	170.7	-179.3	63.2	26.8	0	0	0	110.9	P245 I249 A250 A251	P245-N247 VanDerWaalsContact C-N 3.34Å; P245-N247 PolarHBondContact O-N 3.21Å; N247-I249 PolarHBondContact O-N 3.24Å; N247-I249 PolarHBondContact OD1-N 3.21Å; N247-A250 PolarHBondContact O-N 3.08Å; N247-A250 VanDerWaalsContact OD1-CB 3.32Å; N247-A250 WeakPolarHBondContact OD1-CB 3.04Å; N247-A250 PolarHBondContact OD1-N 2.75Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.08Å
248	M	91	Very high	94.3	Very high	107 Å²	107	31.7 Å²	31.7	53%	0.527	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-28.2	179.5	-71.2	-63.7	-68.8	0	0	113.2	P122 A251 N252 I294	P122-M248 HydrophobicContact CB-CE 3.81Å; P122-M248 HydrophobicContact CB-SD 4.29Å; P122-M248 HydrophobicContact CG-CE 3.97Å; M248-A251 PolarHBondContact O-N 3.49Å; M248-N252 VanDerWaalsContact O-CB 3.29Å; M248-N252 WeakPolarHBondContact O-CB 3.45Å; M248-N252 PolarHBondContact O-N 3.36Å; M248-N252 PolarHBondContact O-OD1 3.37Å; M248-I294 HydrophobicContact SD-CD1 4.4Å
249	I	92.2	Very high	94.3	Very high	107 Å²	107	31.6 Å²	31.6	55%	0.549	16%	0.164	S	C	.	.	H	α-helix	trans	-66	-52.6	178	-60.8	169.7	0	0	0	109.6	N247 A251 N252 E253	N247-I249 PolarHBondContact O-N 3.24Å; N247-I249 PolarHBondContact OD1-N 3.21Å; I249-A251 PolarHBondContact O-N 2.79Å; I249-N252 PolarHBondContact O-N 3.13Å; I249-N252 VanDerWaalsContact O-N 3.1Å; I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CG 3.43Å; I249-E253 PolarHBondContact O-N 3.06Å
250	A	92.5	Very high	94.1	Very high	8 Å²	8	32.1 Å²	32.1	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-37.7	176.2	0	0	0	0	0	111.6	R209 N247 T254	R209-A250 PolarHBondContact NH2-O 3.19Å; N247-A250 PolarHBondContact O-N 3.08Å; N247-A250 VanDerWaalsContact OD1-CB 3.32Å; N247-A250 WeakPolarHBondContact OD1-CB 3.04Å; N247-A250 PolarHBondContact OD1-N 2.75Å; A250-T254 WeakPolarHBondContact O-CB 2.96Å; A250-T254 PolarHBondContact O-N 2.71Å; A250-T254 PolarHBondContact O-OG1 2.94Å
251	A	92.9	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-45.9	174.3	0	0	0	0	0	112	P122 F123 P245 N247 M248 I249 T254 I294	P122-A251 HydrophobicContact CB-CB 3.78Å; F123-A251 WeakPolarHBondContact CB-O 3.45Å; F123-A251 PolarHBondContact N-O 2.75Å; P245-A251 HydrophobicContact CB-CB 3.76Å; P245-A251 HydrophobicContact CG-CB 3.92Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.08Å; M248-A251 PolarHBondContact O-N 3.49Å; I249-A251 PolarHBondContact O-N 2.79Å; A251-T254 PolarHBondContact O-N 2.83Å; A251-I294 HydrophobicContact CB-CD1 3.63Å
252	N	91.8	Very high	93.6	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-68.7	-36.3	-177	-77.1	-3.2	0	0	0	113	I120 P122 M248 I249 T254	I120-N252 HydrophobicContact CG2-CB 3.59Å; I120-N252 WeakPolarHBondContact CG2-O 3.38Å; P122-N252 WeakPolarHBondContact CA-OD1 3.26Å; M248-N252 VanDerWaalsContact O-CB 3.29Å; M248-N252 WeakPolarHBondContact O-CB 3.45Å; M248-N252 PolarHBondContact O-N 3.36Å; M248-N252 PolarHBondContact O-OD1 3.37Å; I249-N252 PolarHBondContact O-N 3.13Å; I249-N252 VanDerWaalsContact O-N 3.1Å; N252-T254 VanDerWaalsContact C-N 3.35Å
253	E	90.5	Very high	93.3	Very high	82 Å²	82	31.7 Å²	31.7	38%	0.383	17%	0.165	S	C	.	.	H	α-helix	trans	-76.4	-21.6	-179.7	-69	176	170	0	0	113.4	Y211 S212 I249	Y211-E253 WeakPolarHBondContact CA-O 3.32Å; S212-E253 PolarHBondContact N-O 3.47Å; S212-E253 VanDerWaalsContact N-O 3.13Å; I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CG 3.43Å; I249-E253 PolarHBondContact O-N 3.06Å
254	T	92.6	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.8	-175.5	-54.8	0	0	0	0	111.7	F123 R209 Y227 A250 A251 N252	F123-T254 HydrophobicContact CB-CG2 4.34Å; F123-T254 HydrophobicContact CD1-CG2 4.18Å; F123-T254 HydrophobicContact CD2-CG2 3.85Å; F123-T254 VanDerWaalsContact CD2-O 3.3Å; F123-T254 WeakPolarHBondContact CD2-O 3.07Å; F123-T254 HydrophobicContact CE1-CG2 4.42Å; F123-T254 HydrophobicContact CE2-CG2 4.13Å; F123-T254 HydrophobicContact CG-CG2 3.87Å; F123-T254 HydrophobicContact CZ-CG2 4.39Å; R209-T254 HydrophobicContact CG-CG2 3.92Å; R209-T254 PolarHBondContact NE-OG1 2.84Å; R209-T254 PolarHBondContact NH2-OG1 2.87Å; Y227-T254 HydrophobicContact CE2-CG2 4.18Å; Y227-T254 WeakPolarHBondContact OH-CG2 3.3Å; A250-T254 WeakPolarHBondContact O-CB 2.96Å; A250-T254 PolarHBondContact O-N 2.71Å; A250-T254 PolarHBondContact O-OG1 2.94Å; A251-T254 PolarHBondContact O-N 2.83Å; N252-T254 VanDerWaalsContact C-N 3.35Å
255	T	90.8	Very high	92.4	Very high	60 Å²	60	32.7 Å²	32.7	37%	0.368	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-20.7	177.5	57.9	0	0	0	0	113.1	I210	I210-T255 PolarHBondContact O-N 2.83Å; I210-T255 PolarHBondContact O-OG1 3.13Å
256	F	93.5	Very high	91.9	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.145	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	134.4	-172.8	-172.3	-91	0	0	0	110.6	M208 R209 I210 I536 K538	M208-F256 HydrophobicContact CE-CE1 4.45Å; M208-F256 HydrophobicContact SD-CD1 4.41Å; M208-F256 HydrophobicContact SD-CE1 3.89Å; R209-F256 WeakPolarHBondContact CA-O 3.03Å; I210-F256 HydrophobicContact CB-CB 3.7Å; I210-F256 HydrophobicContact CD1-CB 3.76Å; I210-F256 HydrophobicContact CD1-CD1 3.8Å; I210-F256 HydrophobicContact CD1-CD2 4.38Å; I210-F256 HydrophobicContact CD1-CE1 4.41Å; I210-F256 HydrophobicContact CD1-CG 3.77Å; I210-F256 HydrophobicContact CG1-CB 3.77Å; I210-F256 HydrophobicContact CG1-CD1 3.87Å; I210-F256 HydrophobicContact CG1-CG 4.08Å; I210-F256 PolarHBondContact N-O 3.39Å; I210-F256 PolarHBondContact O-N 2.94Å; F256-I536 HydrophobicContact CD2-CG2 4.05Å; F256-I536 HydrophobicContact CE1-CG2 4.42Å; F256-I536 HydrophobicContact CE2-CG2 3.26Å; F256-I536 HydrophobicContact CZ-CB 4.41Å; F256-I536 HydrophobicContact CZ-CD1 4.12Å; F256-I536 HydrophobicContact CZ-CG1 4.15Å; F256-I536 HydrophobicContact CZ-CG2 3.49Å; F256-I536 VanDerWaalsContact CZ-CG2 3.49Å; F256-K538 HydrophobicContact CD2-CB 3.75Å; F256-K538 HydrophobicContact CD2-CD 4.34Å; F256-K538 HydrophobicContact CE2-CB 4.36Å; F256-K538 HydrophobicContact CE2-CD 4.32Å
257	L	96.3	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.9	169.6	178.5	67.4	0	0	0	108.5	F123 L126 M208 L224 Y227 F243 L259 L537	F123-L257 HydrophobicContact CE1-CB 3.83Å; F123-L257 HydrophobicContact CE1-CD2 4.39Å; F123-L257 HydrophobicContact CZ-CB 3.72Å; L126-L257 HydrophobicContact CB-CD2 4.31Å; L126-L257 HydrophobicContact CD2-CD2 4.16Å; M208-L257 CarbonylContact O-C 3.6Å; M208-L257 WeakPolarHBondContact O-CA 3.41Å; L224-L257 HydrophobicContact CD2-CD1 3.86Å; Y227-L257 HydrophobicContact CE1-CD2 4.2Å; F243-L257 HydrophobicContact CB-CD2 4.02Å; F243-L257 HydrophobicContact CG-CD2 4.46Å; L257-L259 HydrophobicContact CD1-CD2 4.38Å; L257-L537 HydrophobicContact CB-CB 4.47Å; L257-L537 PolarHBondContact N-O 2.84Å; L257-L537 PolarHBondContact O-N 2.65Å
258	S	96.2	Very high	90.9	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	136.6	-175.4	148.7	0	0	0	0	109.8	C207 M208 Y534 V535	C207-S258 CarbonylContact C-O 3.53Å; C207-S258 WeakPolarHBondContact CA-O 3.39Å; C207-S258 WeakPolarHBondContact CB-O 3.38Å; M208-S258 PolarHBondContact N-O 2.75Å; M208-S258 PolarHBondContact O-N 2.99Å; S258-Y534 WeakPolarHBondContact OG-CE2 3.28Å; S258-Y534 PolarHBondContact OG-OH 3.09Å; S258-V535 CarbonylContact C-O 3.57Å; S258-V535 VanDerWaalsContact CA-O 3.31Å; S258-V535 WeakPolarHBondContact CA-O 3.33Å
259	L	96	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.8	-172.8	-54.7	176.7	0	0	0	109.7	L126 V128 F204 C207 F243 L257 V261 Y534 V535	L126-L259 HydrophobicContact CD2-CD1 3.83Å; V128-L259 HydrophobicContact CG2-CD1 3.97Å; F204-L259 HydrophobicContact CD1-CD1 4.48Å; F204-L259 HydrophobicContact CE1-CD1 4.25Å; C207-L259 HydrophobicContact CB-CD2 3.6Å; F243-L259 HydrophobicContact CD1-CD2 4.18Å; F243-L259 HydrophobicContact CD2-CD1 3.96Å; F243-L259 HydrophobicContact CE1-CD2 3.67Å; F243-L259 HydrophobicContact CE2-CD1 3.77Å; F243-L259 HydrophobicContact CE2-CD2 4.08Å; F243-L259 HydrophobicContact CZ-CD1 4.18Å; F243-L259 HydrophobicContact CZ-CD2 3.62Å; L257-L259 HydrophobicContact CD1-CD2 4.38Å; L259-V261 HydrophobicContact CB-CG2 3.97Å; L259-Y534 WeakPolarHBondContact O-CD2 3.49Å; L259-V535 PolarHBondContact N-O 3.32Å; L259-V535 PolarHBondContact O-N 3.15Å
260	I	93.4	Very high	90.3	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.2	165.9	-62.3	161.1	0	0	0	106.9	F205 N206 W442 L449 Y534	F205-I260 HydrophobicContact CB-CB 4.47Å; F205-I260 HydrophobicContact CB-CG2 4.13Å; F205-I260 HydrophobicContact CD2-CG2 4.23Å; F205-I260 PolarHBondContact N-O 2.93Å; N206-I260 HydrophobicContact CB-CB 4.33Å; N206-I260 HydrophobicContact CB-CD1 3.91Å; N206-I260 PolarHBondContact O-N 2.84Å; I260-W442 HydrophobicContact CD1-CH2 3.47Å; I260-W442 VanDerWaalsContact CD1-CH2 3.47Å; I260-W442 HydrophobicContact CD1-CZ2 3.68Å; I260-W442 HydrophobicContact CG1-CH2 3.77Å; I260-W442 HydrophobicContact CG1-CZ2 4.1Å; I260-W442 HydrophobicContact CG2-CH2 4.06Å; I260-W442 HydrophobicContact CG2-CZ3 4.3Å; I260-L449 HydrophobicContact CD1-CD1 3.83Å; I260-Y534 HydrophobicContact CG1-CD2 3.56Å; I260-Y534 HydrophobicContact CG1-CE2 3.97Å; I260-Y534 HydrophobicContact CG1-CG 4.38Å
261	V	93.9	Very high	90	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.8	-170.8	-168	0	0	0	0	109.5	I203 F204 L259 L287 F532 A533	I203-V261 HydrophobicContact CG1-CG1 4.35Å; I203-V261 WeakPolarHBondContact O-CA 3.29Å; F204-V261 HydrophobicContact CD1-CB 4.49Å; F204-V261 HydrophobicContact CD1-CG1 4.23Å; F204-V261 HydrophobicContact CD1-CG2 3.81Å; F204-V261 HydrophobicContact CE1-CG1 4.04Å; F204-V261 HydrophobicContact CE1-CG2 3.81Å; L259-V261 HydrophobicContact CB-CG2 3.97Å; V261-L287 HydrophobicContact CB-CD1 3.75Å; V261-L287 HydrophobicContact CG1-CD1 3.85Å; V261-L287 HydrophobicContact CG1-CD2 4.11Å; V261-L287 HydrophobicContact CG2-CD1 3.87Å; V261-F532 CarbonylContact O-C 3.59Å; V261-F532 WeakPolarHBondContact O-CA 3.45Å; V261-A533 PolarHBondContact N-O 3.22Å; V261-A533 PolarHBondContact O-N 2.84Å
262	G	91	Very high	89.7	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	137.4	169.3	0	0	0	0	0	111.4	H130 I203 D531	H130-G262 PolarHBondContact NE2-O 3.22Å; I203-G262 PolarHBondContact O-N 3.41Å; G262-D531 WeakPolarHBondContact CA-O 3.19Å
263	L	89.8	Confident	89.7	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	24%	0.243	C	C	.	.			trans	-88.9	-7.2	-172.4	-67.5	166.9	0	0	0	114.4	H130 L287 P309 E530 D531 F532 A533	H130-L263 PolarHBondContact CD2-O 2.74Å; L263-L287 HydrophobicContact CD2-CD2 3.72Å; L263-L287 HydrophobicContact CD2-CG 3.81Å; L263-P309 HydrophobicContact CD1-CB 3.2Å; L263-E530 WeakPolarHBondContact CD1-O 3.45Å; L263-D531 PolarHBondContact N-O 3.26Å; L263-F532 WeakPolarHBondContact CD1-O 3.48Å; L263-A533 HydrophobicContact CD2-CB 4.31Å
264	G	85.9	Confident	89.8	Confident	16 Å²	16	51.2 Å²	51.2	17%	0.165	26%	0.256	C	S	.	.			trans	81.2	-158.5	-178.8	0	0	0	0	0	112.8
265	P	87.7	Confident	89.9	Confident	10 Å²	10	51.9 Å²	51.9	7%	0.065	26%	0.261	C	S	.	.			trans	-58.9	139.3	-172.7	20.3	-28.9	0	0	0	113.6	Y136 Y139 I270 R285	Y136-P265 HydrophobicContact CD1-CB 3.92Å; Y136-P265 HydrophobicContact CD1-CG 4.41Å; Y136-P265 HydrophobicContact CE1-CB 3.56Å; Y136-P265 HydrophobicContact CE1-CG 4.44Å; Y136-P265 HydrophobicContact CE2-CB 4.3Å; Y136-P265 HydrophobicContact CG-CB 4.45Å; Y136-P265 VanDerWaalsContact CZ-CA 3.43Å; Y136-P265 WeakPolarHBondContact OH-CA 3.39Å; Y139-P265 HydrophobicContact CE2-CG 3.92Å; P265-I270 HydrophobicContact CB-CD1 4.45Å; P265-I270 HydrophobicContact CB-CG2 3.56Å; P265-I270 HydrophobicContact CG-CG2 4.38Å; P265-R285 PolarHBondContact O-NH1 3.06Å
266	K	85.1	Confident	90	Very high	63 Å²	63	50.1 Å²	50.1	27%	0.274	25%	0.248	S	C	.	.			trans	-75.9	147.3	160.8	-60.9	176.4	-175.9	169.6	0	108.8	K268 D269 I270 D531	K266-K268 PolarHBondContact O-N 3.38Å; K266-K268 VanDerWaalsContact O-N 3.07Å; K266-D269 HydrophobicContact CB-CB 4.49Å; K266-D269 WeakPolarHBondContact CB-OD2 3.18Å; K266-D269 PolarHBondContact O-N 3Å; K266-I270 WeakPolarHBondContact O-CG1 3.28Å; K266-D531 WeakPolarHBondContact CE-OD1 3.4Å; K266-D531 WeakPolarHBondContact CE-OD2 3.25Å; K266-D531 IonicContact NZ-OD1 2.76Å; K266-D531 PolarHBondContact NZ-OD1 2.89Å; K266-D531 IonicContact NZ-OD2 2.65Å; K266-D531 PolarHBondContact NZ-OD2 3.49Å
267	D	82.6	Confident	89.9	Confident	99 Å²	99	54.1 Å²	54.1	53%	0.529	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57.7	-27.1	175.7	-58.5	-33.5	0	0	0	112.5	D269	D267-D269 VanDerWaalsContact C-N 3.33Å
268	K	83.9	Confident	89.7	Confident	198 Å²	198	55.9 Å²	55.9	86%	0.861	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-71.4	-24	176	-61.7	-179.2	-178	176.3	0	113.8	K266	K266-K268 PolarHBondContact O-N 3.38Å; K266-K268 VanDerWaalsContact O-N 3.07Å
269	D	82.5	Confident	89.5	Confident	98 Å²	98	56.9 Å²	56.9	52%	0.524	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-93	-4.1	-172.6	-57.8	-23.6	0	0	0	112.7	K266 D267	K266-D269 HydrophobicContact CB-CB 4.49Å; K266-D269 WeakPolarHBondContact CB-OD2 3.18Å; K266-D269 PolarHBondContact O-N 3Å; D267-D269 VanDerWaalsContact C-N 3.33Å
270	I	87.1	Confident	89.3	Confident	26 Å²	26	61.9 Å²	61.9	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-129.6	154	-170.5	54.7	167.9	0	0	0	111.8	Y139 P265 K266 I272	Y139-I270 HydrophobicContact CD1-CB 3.99Å; Y139-I270 HydrophobicContact CD1-CD1 4.45Å; Y139-I270 HydrophobicContact CD1-CG2 4.21Å; Y139-I270 HydrophobicContact CD2-CG2 4.05Å; Y139-I270 HydrophobicContact CE1-CB 3.85Å; Y139-I270 HydrophobicContact CE1-CD1 3.49Å; Y139-I270 VanDerWaalsContact CE1-CD1 3.49Å; Y139-I270 HydrophobicContact CE1-CG1 4.16Å; Y139-I270 HydrophobicContact CE1-CG2 4.26Å; Y139-I270 HydrophobicContact CE2-CD1 3.96Å; Y139-I270 HydrophobicContact CE2-CG2 4.13Å; Y139-I270 HydrophobicContact CG-CB 4.41Å; Y139-I270 HydrophobicContact CG-CG2 4.12Å; Y139-I270 WeakPolarHBondContact OH-CD1 3.42Å; P265-I270 HydrophobicContact CB-CD1 4.45Å; P265-I270 HydrophobicContact CB-CG2 3.56Å; P265-I270 HydrophobicContact CG-CG2 4.38Å; K266-I270 WeakPolarHBondContact O-CG1 3.28Å; I270-I272 PolarHBondContact O-N 2.79Å
271	H	87.3	Confident	89.1	Confident	146 Å²	146	70.1 Å²	70.1	68%	0.676	35%	0.348	S	S	*	.			trans	-74.5	109.2	165.9	-65.9	-65.8	0	0	0	109.4	Q273	H271-Q273 PolarHBondContact O-N 3.15Å; H271-Q273 PolarHBondContact O-NE2 2.94Å
272	I	86.9	Confident	88.8	Confident	128 Å²	128	75.9 Å²	75.9	66%	0.656	38%	0.375	S	S	*	.			trans	-56.8	129.3	178.6	-59	173.5	0	0	0	109.4	I270	I270-I272 PolarHBondContact O-N 2.79Å
273	Q	91.3	Very high	88.6	Confident	34 Å²	34	81.4 Å²	81.4	16%	0.159	40%	0.4	C	S	.	.			trans	-81.9	131.2	175.1	-61.1	-60.9	-54.2	0	0	109.6	Y139 W142 P150 S151 H271 A275	Y139-Q273 HydrophobicContact CE1-CG 4.39Å; W142-Q273 HydrophobicContact CE3-CG 3.78Å; W142-Q273 HydrophobicContact CH2-CG 4.4Å; W142-Q273 HydrophobicContact CZ3-CG 3.61Å; P150-Q273 HydrophobicContact CB-CB 3.93Å; P150-Q273 HydrophobicContact CB-CG 4.39Å; P150-Q273 HydrophobicContact CG-CB 4.2Å; P150-Q273 HydrophobicContact CG-CG 4.14Å; S151-Q273 VanDerWaalsContact OG-CA 3.31Å; S151-Q273 WeakPolarHBondContact OG-CA 3.39Å; S151-Q273 PolarHBondContact OG-OE1 2.74Å; H271-Q273 PolarHBondContact O-N 3.15Å; H271-Q273 PolarHBondContact O-NE2 2.94Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; Q273-A275 PolarHBondContact O-N 2.78Å
274	Q	92.2	Very high	88.6	Confident	137 Å²	137	83.4 Å²	83.4	64%	0.64	42%	0.417	S	S	*	.	S	Bend	trans	-83.4	75.9	-179.8	-64.8	176.4	48.9	0	0	109.9	S151 N154	S151-Q274 PolarHBondContact OG-N 2.88Å; N154-Q274 WeakPolarHBondContact CB-O 3.37Å; N154-Q274 PolarHBondContact OD1-O 3.31Å
275	A	93.7	Very high	88.9	Confident	14 Å²	14	85.2 Å²	85.2	12%	0.116	42%	0.419	C	S	.	.			trans	-155.3	176.6	-177.2	0	0	0	0	0	111.4	P150 N154 Q273 L277	P150-A275 VanDerWaalsContact C-CB 3.49Å; P150-A275 HydrophobicContact CB-CB 3.46Å; P150-A275 VanDerWaalsContact CB-CB 3.46Å; P150-A275 WeakPolarHBondContact O-CB 3.32Å; N154-A275 HydrophobicContact CB-CB 3.87Å; Q273-A275 VanDerWaalsContact C-N 3.33Å; Q273-A275 PolarHBondContact O-N 2.78Å; A275-L277 PolarHBondContact O-N 3.15Å
276	F	93.8	Very high	89.2	Confident	22 Å²	22	84.8 Å²	84.8	10%	0.096	42%	0.416	C	S	.	.			trans	64.1	38.2	172.4	-46.4	-38.4	0	0	0	113.9	F134 P150 D180 L182 Y185 P278 D279	F134-F276 AromaticContact CE2-CE2 3.75Å; F134-F276 HydrophobicContact CE2-CE2 3.75Å; F134-F276 AromaticContact CZ-CE2 3.93Å; F134-F276 HydrophobicContact CZ-CE2 3.93Å; F134-F276 HydrophobicContact CZ-CZ 4.25Å; P150-F276 HydrophobicContact CB-CE1 4.3Å; P150-F276 HydrophobicContact CB-CE2 3.64Å; P150-F276 HydrophobicContact CB-CZ 3.52Å; P150-F276 HydrophobicContact CG-CE2 3.85Å; P150-F276 HydrophobicContact CG-CZ 3.82Å; D180-F276 VanDerWaalsContact CG-N 3.31Å; D180-F276 WeakPolarHBondContact O-CA 3.33Å; D180-F276 PolarHBondContact OD1-N 2.97Å; D180-F276 PolarHBondContact OD2-N 3.37Å; L182-F276 HydrophobicContact CB-CD1 4.26Å; L182-F276 HydrophobicContact CB-CD2 4.48Å; L182-F276 HydrophobicContact CB-CE1 4.37Å; L182-F276 HydrophobicContact CB-CG 4.32Å; L182-F276 HydrophobicContact CD1-CE2 3.95Å; L182-F276 HydrophobicContact CD1-CZ 3.91Å; L182-F276 VanDerWaalsContact N-CD1 3.3Å; Y185-F276 VanDerWaalsContact CB-CE1 3.47Å; Y185-F276 HydrophobicContact CD1-CE1 4.05Å; Y185-F276 AromaticContact CD1-CZ 3.49Å; Y185-F276 HydrophobicContact CD1-CZ 3.49Å; Y185-F276 VanDerWaalsContact CD1-CZ 3.49Å; Y185-F276 HydrophobicContact CD2-CZ 4.44Å; Y185-F276 HydrophobicContact CE1-CZ 4.07Å; Y185-F276 AromaticContact CG-CE1 3.8Å; Y185-F276 HydrophobicContact CG-CE1 3.8Å; Y185-F276 AromaticContact CG-CZ 3.69Å; Y185-F276 HydrophobicContact CG-CZ 3.69Å; F276-P278 VanDerWaalsContact C-CD 3.49Å; F276-D279 HydrophobicContact CB-CB 4.1Å; F276-D279 WeakPolarHBondContact O-CB 3.35Å; F276-D279 PolarHBondContact O-N 3.16Å
277	L	92.4	Very high	89.7	Confident	118 Å²	118	81.8 Å²	81.8	62%	0.618	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-54.9	-44.9	-178.1	-87.7	64.5	0	0	0	113.7	D180 A275 D279 I280	D180-L277 PolarHBondContact OD2-N 3.33Å; A275-L277 PolarHBondContact O-N 3.15Å; L277-D279 PolarHBondContact O-N 3.24Å; L277-I280 PolarHBondContact O-N 3.03Å
278	P	91	Very high	90.4	Very high	36 Å²	36	78.4 Å²	78.4	23%	0.234	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24.2	177.6	-20.2	34.7	0	0	0	113.5	D180 F276 I280 F281	D180-P278 WeakPolarHBondContact O-CD 3.4Å; F276-P278 VanDerWaalsContact C-CD 3.49Å; P278-I280 PolarHBondContact O-N 2.98Å; P278-F281 WeakPolarHBondContact O-CD2 3.12Å
279	D	92.4	Very high	91	Very high	25 Å²	25	69 Å²	69	13%	0.134	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-77.9	-1.1	-174.2	-59.6	-0.2	0	0	0	112.4	S181 L182 F276 L277 F281 E282 Q283	S181-D279 WeakPolarHBondContact CB-OD1 3.44Å; L182-D279 WeakPolarHBondContact CB-OD2 3.03Å; L182-D279 PolarHBondContact N-OD2 2.85Å; F276-D279 HydrophobicContact CB-CB 4.1Å; F276-D279 WeakPolarHBondContact O-CB 3.35Å; F276-D279 PolarHBondContact O-N 3.16Å; L277-D279 PolarHBondContact O-N 3.24Å; D279-F281 PolarHBondContact O-N 2.9Å; D279-E282 PolarHBondContact O-N 3.45Å; D279-Q283 WeakPolarHBondContact O-CG 3.47Å; D279-Q283 PolarHBondContact O-N 2.9Å
280	I	92.1	Very high	91.6	Very high	105 Å²	105	64.3 Å²	64.3	54%	0.538	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-49.8	-30.4	173.4	-166.8	93.7	0	0	0	112.4	L277 P278	L277-I280 PolarHBondContact O-N 3.03Å; P278-I280 PolarHBondContact O-N 2.98Å
281	F	89	Confident	92.1	Very high	189 Å²	189	63.7 Å²	63.7	83%	0.829	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-78.3	-17.6	178.9	-58.4	-72	0	0	0	113.9	P278 D279	P278-F281 WeakPolarHBondContact O-CD2 3.12Å; D279-F281 PolarHBondContact O-N 2.9Å
282	E	86.4	Confident	92.5	Very high	121 Å²	121	57.5 Å²	57.5	57%	0.565	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-10.5	179.5	-62.6	-173.7	175.4	0	0	112.8	Q236 D279 A284	Q236-E282 PolarHBondContact NE2-OE2 3.48Å; D279-E282 PolarHBondContact O-N 3.45Å; E282-A284 PolarHBondContact O-N 2.93Å
283	Q	87	Confident	92.9	Very high	119 Å²	119	52.7 Å²	52.7	56%	0.556	26%	0.26	S	S	*	.			trans	-62.7	124.4	-179.8	-81.3	172.3	19.6	0	0	111.7	D279	D279-Q283 WeakPolarHBondContact O-CG 3.47Å; D279-Q283 PolarHBondContact O-N 2.9Å
284	A	90.8	Very high	93	Very high	47 Å²	47	53 Å²	53	39%	0.388	26%	0.262	S	S	.	.			trans	-154	158.4	175.4	0	0	0	0	0	110.3	Q131 E282	Q131-A284 WeakPolarHBondContact CB-O 3.45Å; Q131-A284 VanDerWaalsContact CD-CB 3.46Å; Q131-A284 VanDerWaalsContact OE1-CB 3.22Å; E282-A284 PolarHBondContact O-N 2.93Å
285	R	91.4	Very high	93.1	Very high	54 Å²	54	46.7 Å²	46.7	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-111	131.4	176.6	-174.8	176.9	-179	84.4	2.8	109.4	Q131 P265 P309 E530 D531	Q131-R285 PolarHBondContact OE1-O 3.41Å; P265-R285 PolarHBondContact O-NH1 3.06Å; R285-P309 HydrophobicContact CG-CG 4.49Å; R285-P309 WeakPolarHBondContact O-CD 3.49Å; R285-E530 PolarHBondContact NH2-O 3.24Å; R285-D531 IonicContact NH2-OD1 3.74Å
286	G	94.1	Very high	93.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	138.5	-155.6	-175.8	0	0	0	0	0	110.9	Q131 V307	Q131-G286 PolarHBondContact N-O 3.27Å; Q131-G286 VanDerWaalsContact N-O 3.09Å; G286-V307 WeakPolarHBondContact CA-O 3.3Å
287	L	96.1	Very high	93.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.3	176	-50	169.1	0	0	0	110.4	V128 C129 H130 V261 L263 V289 V307 A533 V535	V128-L287 HydrophobicContact CG1-CB 4.39Å; V128-L287 HydrophobicContact CG1-CD1 3.94Å; V128-L287 HydrophobicContact CG1-CD2 4.36Å; V128-L287 HydrophobicContact CG1-CG 4.47Å; C129-L287 CarbonylContact O-C 3.49Å; C129-L287 VanDerWaalsContact O-CA 3.28Å; C129-L287 WeakPolarHBondContact O-CA 3.41Å; C129-L287 WeakPolarHBondContact O-CB 3.26Å; H130-L287 HydrophobicContact CB-CD2 4.42Å; V261-L287 HydrophobicContact CB-CD1 3.75Å; V261-L287 HydrophobicContact CG1-CD1 3.85Å; V261-L287 HydrophobicContact CG1-CD2 4.11Å; V261-L287 HydrophobicContact CG2-CD1 3.87Å; L263-L287 HydrophobicContact CD2-CD2 3.72Å; L263-L287 HydrophobicContact CD2-CG 3.81Å; L287-V289 HydrophobicContact CB-CG1 4.27Å; L287-V307 HydrophobicContact CB-CB 4Å; L287-V307 HydrophobicContact CB-CG1 4.35Å; L287-V307 HydrophobicContact CD1-CG1 4.3Å; L287-V307 PolarHBondContact N-O 3.17Å; L287-V307 PolarHBondContact O-N 3.19Å; L287-A533 HydrophobicContact CD1-CB 3.93Å; L287-A533 HydrophobicContact CG-CB 4.45Å; L287-V535 HydrophobicContact CD1-CG2 4.13Å
288	R	96.2	Very high	93.4	Very high	28 Å²	28	41.5 Å²	41.5	11%	0.106	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	166.1	-170.4	76.5	170.8	148.6	8.6	107.2	C129 Q131 Y237 L300 G304 I305 H306	C129-R288 HydrophobicContact CB-CB 4.33Å; C129-R288 PolarHBondContact N-O 3.21Å; C129-R288 PolarHBondContact O-N 2.89Å; Q131-R288 HydrophobicContact CG-CB 4.4Å; Y237-R288 HydrophobicContact CE1-CB 4.34Å; Y237-R288 HydrophobicContact CE2-CB 4.46Å; Y237-R288 HydrophobicContact CE2-CG 4.17Å; R288-L300 HydrophobicContact CG-CD2 4.06Å; R288-L300 PolarHBondContact NE-O 2.91Å; R288-L300 PolarHBondContact NH2-O 3.28Å; R288-G304 PolarHBondContact NH1-O 2.74Å; R288-G304 PolarHBondContact NH2-O 3.18Å; R288-I305 WeakPolarHBondContact CA-O 3.17Å; R288-H306 PolarHBondContact NH1-CD2 2.89Å; R288-H306 PolarHBondContact NH1-CE1 2.8Å; R288-H306 PolarHBondContact NH1-NE2 3.3Å
289	V	97	Very high	93.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.9	-177	-56.4	0	0	0	0	111.7	L126 T127 V128 L287 G304 I305 V307 I315	L126-V289 HydrophobicContact CD1-CB 4.16Å; T127-V289 CarbonylContact O-C 3.6Å; T127-V289 WeakPolarHBondContact O-CA 3.35Å; V128-V289 HydrophobicContact CB-CG1 4.36Å; V128-V289 HydrophobicContact CG1-CG1 4.14Å; V128-V289 HydrophobicContact CG2-CG1 4.06Å; L287-V289 HydrophobicContact CB-CG1 4.27Å; V289-G304 CarbonylContact O-C 3.54Å; V289-G304 WeakPolarHBondContact O-CA 3.29Å; V289-I305 HydrophobicContact CG2-CB 4Å; V289-I305 HydrophobicContact CG2-CG2 4.48Å; V289-I305 PolarHBondContact N-O 2.76Å; V289-I305 PolarHBondContact O-N 2.78Å; V289-V307 HydrophobicContact CB-CG2 4.35Å; V289-V307 HydrophobicContact CG1-CG2 3.78Å; V289-V307 HydrophobicContact CG2-CG2 3.59Å; V289-I315 HydrophobicContact CG2-CD1 3.51Å
290	V	96.3	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.6	178.8	176.2	0	0	0	0	109.6	T127 H292 P298 L300 N303	T127-V290 PolarHBondContact N-O 3.13Å; T127-V290 PolarHBondContact O-N 3.1Å; V290-H292 HydrophobicContact CG1-CB 4.47Å; V290-P298 HydrophobicContact CB-CB 4.32Å; V290-P298 HydrophobicContact CG1-CB 4.17Å; V290-L300 HydrophobicContact CG2-CB 4.41Å; V290-L300 HydrophobicContact CG2-CD2 3.55Å; V290-L300 HydrophobicContact CG2-CG 4Å; V290-N303 HydrophobicContact CG1-CB 4.16Å
291	I	96.3	Very high	93.4	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.3	171.7	-56.8	164.6	0	0	0	108	P124 S125 L126 I315 Y433 L537	P124-I291 HydrophobicContact CB-CG2 3.37Å; P124-I291 HydrophobicContact CG-CG2 3.38Å; S125-I291 WeakPolarHBondContact O-CA 3.42Å; L126-I291 HydrophobicContact CD1-CG1 4.26Å; I291-I315 HydrophobicContact CD1-CG2 3.55Å; I291-Y433 HydrophobicContact CG2-CD2 4.02Å; I291-Y433 HydrophobicContact CG2-CG 3.85Å; I291-L537 HydrophobicContact CD1-CD1 3.46Å; I291-L537 VanDerWaalsContact CD1-CD1 3.46Å; I291-L537 HydrophobicContact CG1-CD1 3.95Å
292	H	96	Very high	93.4	Very high	16 Å²	16	39.8 Å²	39.8	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	167.9	-179.4	62.4	96	0	0	0	112.1	S125 T127 V290 T296	S125-H292 PolarHBondContact N-O 3.46Å; S125-H292 PolarHBondContact O-N 3.02Å; T127-H292 PolarHBondContact OG1-NE2 3.48Å; V290-H292 HydrophobicContact CG1-CB 4.47Å; H292-T296 PolarHBondContact CE1-O 3.49Å; H292-T296 PolarHBondContact ND1-O 3.4Å; H292-T296 VanDerWaalsContact ND1-O 3.17Å; H292-T296 PolarHBondContact ND1-OG1 3.15Å
293	E	94.9	Very high	93.6	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.126	19%	0.19	C	C	.	.			trans	-64.1	154.5	177.5	-72.9	-176.6	113.1	0	0	112.3	G295 T296 R427 Y431 Y433	E293-G295 PolarHBondContact O-N 2.99Å; E293-T296 HydrophobicContact CB-CG2 3.89Å; E293-T296 PolarHBondContact O-N 3.21Å; E293-T296 PolarHBondContact O-OG1 2.84Å; E293-R427 IonicContact OE1-NH1 3.87Å; E293-R427 IonicContact OE2-CZ 3Å; E293-R427 IonicContact OE2-NH1 2.81Å; E293-R427 PolarHBondContact OE2-NH1 2.04Å; E293-R427 IonicContact OE2-NH2 2.85Å; E293-R427 PolarHBondContact OE2-NH2 2.88Å; E293-Y431 WeakPolarHBondContact CG-O 3.24Å; E293-Y431 PolarHBondContact OE1-N 3.01Å; E293-Y433 HydrophobicContact CB-CE2 4.46Å; E293-Y433 HydrophobicContact CG-CE2 3.74Å
294	I	94	Very high	94	Very high	39 Å²	39	33.1 Å²	33.1	20%	0.2	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	128.5	179.2	-55.4	177.6	0	0	0	110.2	S125 E244 P245 M248 A251 T296 N349	S125-I294 WeakPolarHBondContact OG-CA 3.41Å; E244-I294 HydrophobicContact CG-CG2 3.66Å; E244-I294 VanDerWaalsContact OE1-CG2 3.24Å; E244-I294 WeakPolarHBondContact OE1-CG2 3.5Å; P245-I294 HydrophobicContact CB-CD1 4.01Å; P245-I294 HydrophobicContact CG-CD1 3.84Å; P245-I294 HydrophobicContact CG-CG1 4.27Å; M248-I294 HydrophobicContact SD-CD1 4.4Å; A251-I294 HydrophobicContact CB-CD1 3.63Å; I294-T296 VanDerWaalsContact C-N 3.25Å; I294-T296 PolarHBondContact O-N 2.7Å; I294-N349 PolarHBondContact O-ND2 2.91Å
295	G	93.5	Very high	94.2	Very high	6 Å²	6	32.2 Å²	32.2	6%	0.062	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-2	178.2	0	0	0	0	0	116.1	E244 E293 Y348 N349	E244-G295 VanDerWaalsContact OE1-CA 3.31Å; E244-G295 WeakPolarHBondContact OE1-CA 3.47Å; E244-G295 PolarHBondContact OE1-N 3.11Å; E293-G295 PolarHBondContact O-N 2.99Å; G295-Y348 WeakPolarHBondContact O-CA 2.92Å; G295-N349 PolarHBondContact O-N 3.34Å
296	T	95.3	Very high	94.3	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.055	17%	0.173	C	C	.	.	S	Bend	trans	-84.7	155.3	175.1	64.7	0	0	0	0	111.4	H292 E293 I294 N349 T351	H292-T296 PolarHBondContact CE1-O 3.49Å; H292-T296 PolarHBondContact ND1-O 3.4Å; H292-T296 VanDerWaalsContact ND1-O 3.17Å; H292-T296 PolarHBondContact ND1-OG1 3.15Å; E293-T296 HydrophobicContact CB-CG2 3.89Å; E293-T296 PolarHBondContact O-N 3.21Å; E293-T296 PolarHBondContact O-OG1 2.84Å; I294-T296 VanDerWaalsContact C-N 3.25Å; I294-T296 PolarHBondContact O-N 2.7Å; T296-N349 HydrophobicContact CG2-CB 4.2Å; T296-T351 HydrophobicContact CG2-CG2 3.74Å
297	M	95.5	Very high	94.4	Very high	28 Å²	28	35.3 Å²	35.3	14%	0.138	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-72.1	128.5	175.6	-177.5	74.7	169.7	0	0	110.1	L232 Y341 Y348	L232-M297 HydrophobicContact CD1-CE 3.51Å; L232-M297 HydrophobicContact CD1-SD 3.75Å; M297-Y341 WeakPolarHBondContact CB-OH 2.93Å; M297-Y348 HydrophobicContact CB-CD1 3.89Å; M297-Y348 HydrophobicContact CB-CE1 4.23Å; M297-Y348 HydrophobicContact CB-CG 4.13Å; M297-Y348 HydrophobicContact SD-CD1 4.19Å; M297-Y348 HydrophobicContact SD-CD2 4.16Å; M297-Y348 HydrophobicContact SD-CE1 3.72Å; M297-Y348 HydrophobicContact SD-CE2 3.71Å; M297-Y348 HydrophobicContact SD-CG 4.38Å
298	P	96.1	Very high	94.3	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.045	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-69.5	134.5	176	27.9	-33.8	0	0	0	111.1	T127 L232 V290	T127-P298 HydrophobicContact CG2-CB 4.13Å; T127-P298 HydrophobicContact CG2-CG 3.91Å; L232-P298 HydrophobicContact CD2-CG 3.49Å; L232-P298 VanDerWaalsContact CD2-CG 3.49Å; V290-P298 HydrophobicContact CB-CB 4.32Å; V290-P298 HydrophobicContact CG1-CB 4.17Å
299	D	93.6	Very high	94.1	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	19%	0.193	S	C	.	.			trans	-99.5	94.6	173.3	-171.6	-21.5	0	0	0	109.4	E301 K302 N303	D299-E301 PolarHBondContact OD1-N 3.04Å; D299-K302 HydrophobicContact CB-CB 4.46Å; D299-K302 VanDerWaalsContact CG-CB 3.44Å; D299-K302 WeakPolarHBondContact OD1-CB 3.09Å; D299-K302 PolarHBondContact OD1-N 2.84Å; D299-K302 WeakPolarHBondContact OD2-CB 3.48Å; D299-N303 WeakPolarHBondContact O-CB 3.34Å; D299-N303 PolarHBondContact O-N 3.37Å; D299-N303 VanDerWaalsContact O-N 3.08Å
300	L	92.7	Very high	93.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.4	-174.7	-74	153.6	0	0	0	113.4	C129 L232 H234 Y237 R288 V290 G304	C129-L300 HydrophobicContact CB-CD2 4.4Å; C129-L300 VanDerWaalsContact SG-CD1 3.51Å; C129-L300 WeakPolarHBondContact SG-CD2 3.46Å; L232-L300 HydrophobicContact CD2-CD1 4.28Å; H234-L300 HydrophobicContact CB-CD1 4.31Å; H234-L300 WeakPolarHBondContact CD2-CD1 3.37Å; Y237-L300 HydrophobicContact CD2-CD1 4.08Å; Y237-L300 HydrophobicContact CE2-CB 4.11Å; Y237-L300 HydrophobicContact CE2-CD1 4.46Å; R288-L300 HydrophobicContact CG-CD2 4.06Å; R288-L300 PolarHBondContact NE-O 2.91Å; R288-L300 PolarHBondContact NH2-O 3.28Å; V290-L300 HydrophobicContact CG2-CB 4.41Å; V290-L300 HydrophobicContact CG2-CD2 3.55Å; V290-L300 HydrophobicContact CG2-CG 4Å; L300-G304 WeakPolarHBondContact O-CA 3.44Å; L300-G304 PolarHBondContact O-N 3.17Å
301	E	88.2	Confident	93.6	Very high	114 Å²	114	42.7 Å²	42.7	53%	0.533	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-50.9	178.6	-64.1	-174.7	173.4	0	0	110.2	D299	D299-E301 PolarHBondContact OD1-N 3.04Å
302	K	89.3	Confident	93.5	Very high	155 Å²	155	43.5 Å²	43.5	67%	0.674	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-43.6	-174	-168.9	-177.4	175.2	-178.9	0	113.9	D299	D299-K302 HydrophobicContact CB-CB 4.46Å; D299-K302 VanDerWaalsContact CG-CB 3.44Å; D299-K302 WeakPolarHBondContact OD1-CB 3.09Å; D299-K302 PolarHBondContact OD1-N 2.84Å; D299-K302 WeakPolarHBondContact OD2-CB 3.48Å
303	N	92	Very high	93.5	Very high	87 Å²	87	43 Å²	43	47%	0.465	22%	0.216	S	C	.	.	S	Bend	trans	-113.2	4.7	-168.8	-62.1	-22.2	0	0	0	113.1	V290 D299	V290-N303 HydrophobicContact CG1-CB 4.16Å; D299-N303 WeakPolarHBondContact O-CB 3.34Å; D299-N303 PolarHBondContact O-N 3.37Å; D299-N303 VanDerWaalsContact O-N 3.08Å
304	G	93.7	Very high	93.6	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	22%	0.219	C	C	.	.			trans	-69.3	148.4	-179.8	0	0	0	0	0	112.6	R288 V289 L300	R288-G304 PolarHBondContact NH1-O 2.74Å; R288-G304 PolarHBondContact NH2-O 3.18Å; V289-G304 CarbonylContact O-C 3.54Å; V289-G304 WeakPolarHBondContact O-CA 3.29Å; L300-G304 WeakPolarHBondContact O-CA 3.44Å; L300-G304 PolarHBondContact O-N 3.17Å
305	I	95.4	Very high	93.7	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.138	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.4	178.1	-59.2	172.2	0	0	0	107.7	R288 V289 I315 S435 T437	R288-I305 WeakPolarHBondContact CA-O 3.17Å; V289-I305 HydrophobicContact CG2-CB 4Å; V289-I305 HydrophobicContact CG2-CG2 4.48Å; V289-I305 PolarHBondContact N-O 2.76Å; V289-I305 PolarHBondContact O-N 2.78Å; I305-I315 HydrophobicContact CD1-CG2 4.1Å; I305-S435 VanDerWaalsContact CD1-OG 3.31Å; I305-S435 WeakPolarHBondContact CD1-OG 3.11Å; I305-T437 HydrophobicContact CD1-CG2 4.42Å; I305-T437 HydrophobicContact CG2-CG2 3.36Å
306	H	94.9	Very high	93.8	Very high	116 Å²	116	42.6 Å²	42.6	54%	0.537	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.8	173.7	-62.4	-72.7	0	0	0	110.4	Q131 R288	Q131-H306 PolarHBondContact NE2-CE1 3.17Å; Q131-H306 VanDerWaalsContact NE2-CE1 3.29Å; Q131-H306 PolarHBondContact NE2-ND1 2.93Å; R288-H306 PolarHBondContact NH1-CD2 2.89Å; R288-H306 PolarHBondContact NH1-CE1 2.8Å; R288-H306 PolarHBondContact NH1-NE2 3.3Å
307	V	95.3	Very high	93.8	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.4	177.6	167.2	0	0	0	0	108	G286 L287 V289 N313 A533 V535	G286-V307 WeakPolarHBondContact CA-O 3.3Å; L287-V307 HydrophobicContact CB-CB 4Å; L287-V307 HydrophobicContact CB-CG1 4.35Å; L287-V307 HydrophobicContact CD1-CG1 4.3Å; L287-V307 PolarHBondContact N-O 3.17Å; L287-V307 PolarHBondContact O-N 3.19Å; V289-V307 HydrophobicContact CB-CG2 4.35Å; V289-V307 HydrophobicContact CG1-CG2 3.78Å; V289-V307 HydrophobicContact CG2-CG2 3.59Å; V307-N313 HydrophobicContact CG1-CB 3.86Å; V307-N313 WeakPolarHBondContact CG1-ND2 3.37Å; V307-A533 HydrophobicContact CG1-CB 3.84Å; V307-V535 HydrophobicContact CG1-CG2 3.63Å; V307-V535 HydrophobicContact CG2-CG2 4.34Å
308	E	93.5	Very high	93.7	Very high	83 Å²	83	42.9 Å²	42.9	39%	0.388	21%	0.213	S	C	.	.			trans	-75.6	134.9	-175.6	-162.5	177.9	170.4	0	0	111.2	K311 N313 V439	E308-K311 VanDerWaalsContact CD-CE 3.44Å; E308-K311 HydrophobicContact CG-CD 4.28Å; E308-K311 WeakPolarHBondContact OE1-CE 3.48Å; E308-K311 IonicContact OE1-NZ 3.78Å; E308-K311 PolarHBondContact OE1-NZ 2.74Å; E308-K311 VanDerWaalsContact OE2-CD 3.29Å; E308-K311 WeakPolarHBondContact OE2-CD 3.35Å; E308-K311 WeakPolarHBondContact OE2-CE 3.37Å; E308-K311 IonicContact OE2-NZ 2.84Å; E308-K311 PolarHBondContact OE2-NZ 2.91Å; E308-N313 PolarHBondContact N-OD1 3.26Å; E308-N313 PolarHBondContact O-ND2 3.39Å; E308-V439 HydrophobicContact CB-CG1 4.34Å
309	P	92.5	Very high	93.6	Very high	17 Å²	17	42.6 Å²	42.6	11%	0.11	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	153.1	174.5	32.7	-39.3	0	0	0	112.1	L263 R285 K311 E530	L263-P309 HydrophobicContact CD1-CB 3.2Å; R285-P309 HydrophobicContact CG-CG 4.49Å; R285-P309 WeakPolarHBondContact O-CD 3.49Å; P309-K311 PolarHBondContact O-N 3.39Å; P309-E530 HydrophobicContact CB-CB 4.11Å; P309-E530 HydrophobicContact CG-CB 4.43Å
310	G	89.2	Confident	93.7	Very high	14 Å²	14	40.6 Å²	40.6	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	5.1	178.4	0	0	0	0	0	115.8	S529 F532	G310-S529 VanDerWaalsContact CA-O 3.25Å; G310-S529 WeakPolarHBondContact CA-O 3.27Å; G310-F532 WeakPolarHBondContact CA-O 3.44Å; G310-F532 PolarHBondContact N-O 3.38Å
311	K	92.9	Very high	93.9	Very high	70 Å²	70	43.1 Å²	43.1	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	162	-171.7	-66.8	-166.5	-167.2	167.1	0	113.7	E308 P309 N313 V439 T440 Y534	E308-K311 VanDerWaalsContact CD-CE 3.44Å; E308-K311 HydrophobicContact CG-CD 4.28Å; E308-K311 WeakPolarHBondContact OE1-CE 3.48Å; E308-K311 IonicContact OE1-NZ 3.78Å; E308-K311 PolarHBondContact OE1-NZ 2.74Å; E308-K311 VanDerWaalsContact OE2-CD 3.29Å; E308-K311 WeakPolarHBondContact OE2-CD 3.35Å; E308-K311 WeakPolarHBondContact OE2-CE 3.37Å; E308-K311 IonicContact OE2-NZ 2.84Å; E308-K311 PolarHBondContact OE2-NZ 2.91Å; P309-K311 PolarHBondContact O-N 3.39Å; K311-N313 PolarHBondContact O-ND2 2.7Å; K311-V439 HydrophobicContact CB-CG1 3.81Å; K311-V439 HydrophobicContact CD-CG1 3.59Å; K311-V439 HydrophobicContact CG-CG1 4.36Å; K311-T440 WeakPolarHBondContact CB-O 3.46Å; K311-Y534 PolarHBondContact O-N 3.13Å
312	L	94.3	Very high	94.3	Very high	31 Å²	31	39.9 Å²	39.9	16%	0.162	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.4	165.8	-174.8	165	0	0	0	107.9	E314 V439 T440 W442 Y534 I536	L312-E314 HydrophobicContact CD2-CB 3.91Å; L312-V439 WeakPolarHBondContact O-CA 3.41Å; L312-T440 HydrophobicContact CB-CG2 4.03Å; L312-T440 HydrophobicContact CD1-CG2 4.45Å; L312-T440 HydrophobicContact CD2-CG2 4.2Å; L312-T440 HydrophobicContact CG-CG2 4.45Å; L312-T440 PolarHBondContact N-O 3.01Å; L312-T440 PolarHBondContact O-N 3.18Å; L312-W442 HydrophobicContact CB-CB 4.06Å; L312-Y534 CarbonylContact C-O 3.57Å; L312-Y534 WeakPolarHBondContact CA-O 3.29Å; L312-Y534 HydrophobicContact CB-CD1 3.91Å; L312-Y534 HydrophobicContact CD1-CD1 3.63Å; L312-Y534 HydrophobicContact CD1-CE1 3.64Å; L312-Y534 HydrophobicContact CG-CD1 3.5Å; L312-Y534 VanDerWaalsContact CG-CD1 3.5Å; L312-Y534 HydrophobicContact CG-CE1 3.9Å; L312-Y534 HydrophobicContact CG-CG 4.42Å; L312-I536 HydrophobicContact CD1-CD1 4.01Å; L312-I536 HydrophobicContact CD2-CD1 3.92Å; L312-I536 HydrophobicContact CG-CD1 4.01Å
313	N	96.8	Very high	94.7	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	105.6	178.5	-64.1	-95	0	0	0	108	V307 E308 K311 V439 Y534 V535 I536	V307-N313 HydrophobicContact CG1-CB 3.86Å; V307-N313 WeakPolarHBondContact CG1-ND2 3.37Å; E308-N313 PolarHBondContact N-OD1 3.26Å; E308-N313 PolarHBondContact O-ND2 3.39Å; K311-N313 PolarHBondContact O-ND2 2.7Å; N313-V439 WeakPolarHBondContact OD1-CG2 3.32Å; N313-Y534 PolarHBondContact N-O 3.25Å; N313-V535 CarbonylContact O-C 3.47Å; N313-V535 WeakPolarHBondContact O-CA 3.44Å; N313-I536 PolarHBondContact O-N 3.38Å
314	E	96.9	Very high	94.9	Very high	38 Å²	38	35.9 Å²	35.9	18%	0.178	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.6	177.5	176.9	-178.8	122	0	0	110	L312 N316 T437 S438 I536 K538	L312-E314 HydrophobicContact CD2-CB 3.91Å; E314-N316 PolarHBondContact OE1-ND2 3.24Å; E314-N316 PolarHBondContact OE1-OD1 3.05Å; E314-T437 CarbonylContact O-C 3.38Å; E314-T437 WeakPolarHBondContact O-CA 3.07Å; E314-S438 WeakPolarHBondContact CB-OG 3.42Å; E314-S438 PolarHBondContact N-O 2.72Å; E314-S438 PolarHBondContact O-N 2.88Å; E314-S438 PolarHBondContact O-OG 3.36Å; E314-I536 HydrophobicContact CB-CB 4.32Å; E314-I536 HydrophobicContact CG-CB 4.39Å; E314-I536 HydrophobicContact CG-CG2 4.23Å; E314-K538 HydrophobicContact CG-CD 4.46Å; E314-K538 WeakPolarHBondContact OE1-CE 3.44Å; E314-K538 IonicContact OE1-NZ 3.21Å; E314-K538 PolarHBondContact OE1-NZ 3.3Å; E314-K538 IonicContact OE2-NZ 3.47Å; E314-K538 PolarHBondContact OE2-NZ 3.19Å
315	I	97.1	Very high	95	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.1	179.4	-48	171.1	0	0	0	107.5	V289 I291 I305 T437 V535 I536 L537 K538	V289-I315 HydrophobicContact CG2-CD1 3.51Å; I291-I315 HydrophobicContact CD1-CG2 3.55Å; I305-I315 HydrophobicContact CD1-CG2 4.1Å; I315-T437 HydrophobicContact CG1-CG2 4.41Å; I315-V535 HydrophobicContact CD1-CG1 4.04Å; I315-I536 PolarHBondContact N-O 3.47Å; I315-L537 HydrophobicContact CB-CD1 4.26Å; I315-L537 HydrophobicContact CG2-CD1 4.33Å; I315-L537 WeakPolarHBondContact O-CA 3.08Å; I315-K538 PolarHBondContact O-N 3.03Å; I315-K538 VanDerWaalsContact O-N 3.08Å
316	N	95.3	Very high	95	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.9	-179.5	-75.7	-49	0	0	0	109.4	E314 S435 T436 K538 K540	E314-N316 PolarHBondContact OE1-ND2 3.24Å; E314-N316 PolarHBondContact OE1-OD1 3.05Å; N316-S435 CarbonylContact O-C 3.14Å; N316-S435 WeakPolarHBondContact O-CA 3.32Å; N316-T436 PolarHBondContact N-O 3.31Å; N316-T436 PolarHBondContact O-N 2.91Å; N316-T436 PolarHBondContact O-OG1 3.17Å; N316-K538 WeakPolarHBondContact CA-O 3.46Å; N316-K538 WeakPolarHBondContact OD1-CE 3.36Å; N316-K538 WeakPolarHBondContact OD1-CG 3.44Å; N316-K540 HydrophobicContact CB-CD 4.45Å; N316-K540 HydrophobicContact CB-CG 3.76Å; N316-K540 WeakPolarHBondContact O-CE 3.45Å
317	Y	94.7	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	150.2	179.5	77.7	-90.3	0	0	0	113.1	F123 P124 P319 Y433 E434 L537 K538 R539 K540	F123-Y317 HydrophobicContact CD2-CE1 4.21Å; F123-Y317 WeakPolarHBondContact CD2-OH 3.47Å; F123-Y317 AromaticContact CE2-CE1 3.88Å; F123-Y317 HydrophobicContact CE2-CE1 3.88Å; F123-Y317 HydrophobicContact CZ-CE1 4.34Å; P124-Y317 VanDerWaalsContact CD-CZ 3.42Å; P124-Y317 WeakPolarHBondContact CD-OH 3.37Å; P124-Y317 HydrophobicContact CG-CD1 4.39Å; P124-Y317 HydrophobicContact CG-CE1 4.05Å; P124-Y317 HydrophobicContact CG-CE2 4.28Å; Y317-P319 HydrophobicContact CE2-CB 4.39Å; Y317-P319 HydrophobicContact CE2-CG 4.44Å; Y317-Y433 AromaticContact CD2-CD1 3.8Å; Y317-Y433 HydrophobicContact CD2-CD1 3.8Å; Y317-Y433 HydrophobicContact CE2-CD1 4.05Å; Y317-Y433 HydrophobicContact CE2-CE1 4.42Å; Y317-E434 CarbonylContact C-O 3.51Å; Y317-E434 WeakPolarHBondContact CA-O 3.48Å; Y317-L537 HydrophobicContact CD1-CD1 3.63Å; Y317-L537 HydrophobicContact CD1-CG 4.23Å; Y317-L537 HydrophobicContact CE1-CD1 4.2Å; Y317-L537 HydrophobicContact CE1-CG 4.31Å; Y317-K538 VanDerWaalsContact CD1-O 3.24Å; Y317-K538 WeakPolarHBondContact CD1-O 3.48Å; Y317-K538 PolarHBondContact N-O 2.89Å; Y317-R539 HydrophobicContact CD2-CG 4.46Å; Y317-R539 HydrophobicContact CE1-CB 4.06Å; Y317-R539 HydrophobicContact CE2-CB 4.29Å; Y317-R539 HydrophobicContact CE2-CG 3.9Å; Y317-R539 PolarHBondContact OH-NE 3.34Å; Y317-R539 VanDerWaalsContact OH-NE 3.13Å; Y317-R539 PolarHBondContact OH-NH2 3.36Å; Y317-K540 PolarHBondContact O-N 3.23Å
318	E	92.8	Very high	94.7	Very high	44 Å²	44	40.8 Å²	40.8	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123	167.6	-171.5	161.3	-134.4	0	0	109.9	E434 K540 I545	E318-E434 PolarHBondContact N-O 3.21Å; E318-E434 PolarHBondContact O-N 2.97Å; E318-K540 HydrophobicContact CB-CD 4.36Å; E318-I545 HydrophobicContact CG-CD1 3.93Å; E318-I545 HydrophobicContact CG-CG1 4.3Å; E318-I545 WeakPolarHBondContact OE2-CD1 3.32Å
319	P	94.4	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.3	-179.3	29	-30	0	0	0	110.6	S121 Y317 I545	S121-P319 WeakPolarHBondContact OG-CG 3.35Å; Y317-P319 HydrophobicContact CE2-CB 4.39Å; Y317-P319 HydrophobicContact CE2-CG 4.44Å; P319-I545 PolarHBondContact O-N 3.48Å
320	I	95.8	Very high	94.6	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.5	175.3	-57	172.4	0	0	0	108.3	Y431 D432 E434 I545 K547	I320-Y431 CarbonylContact O-C 3.58Å; I320-Y431 WeakPolarHBondContact O-CA 3.11Å; I320-D432 HydrophobicContact CB-CB 4.26Å; I320-D432 PolarHBondContact N-O 3.34Å; I320-D432 PolarHBondContact O-N 3.29Å; I320-E434 HydrophobicContact CD1-CB 4.06Å; I320-I545 CarbonylContact C-O 3.54Å; I320-I545 VanDerWaalsContact CA-O 3.28Å; I320-I545 WeakPolarHBondContact CA-O 3.33Å; I320-I545 HydrophobicContact CG1-CB 4.23Å; I320-I545 HydrophobicContact CG2-CG2 4.46Å; I320-K547 HydrophobicContact CG2-CD 3.82Å; I320-K547 HydrophobicContact CG2-CG 4.1Å
321	R	96.7	Very high	94.9	Very high	55 Å²	55	51.7 Å²	51.7	21%	0.208	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	175.3	-172.9	179.4	-175.7	162.5	3.8	109.6	E429 Y431 T544 I545 E546 K547	R321-E429 IonicContact CZ-OE1 2.68Å; R321-E429 IonicContact NE-OE1 3.29Å; R321-E429 PolarHBondContact NE-OE1 3.48Å; R321-E429 IonicContact NH2-OE1 2.64Å; R321-E429 PolarHBondContact NH2-OE1 3.29Å; R321-E429 IonicContact NH2-OE2 3.03Å; R321-E429 PolarHBondContact NH2-OE2 3.28Å; R321-E429 VanDerWaalsContact NH2-OE2 3.13Å; R321-Y431 HydrophobicContact CB-CD1 4.1Å; R321-Y431 HydrophobicContact CB-CE1 3.77Å; R321-Y431 HydrophobicContact CG-CD1 4.49Å; R321-Y431 HydrophobicContact CG-CE1 3.98Å; R321-T544 HydrophobicContact CB-CG2 3.92Å; R321-I545 PolarHBondContact N-O 2.86Å; R321-E546 WeakPolarHBondContact O-CA 3.5Å; R321-K547 PolarHBondContact O-N 2.75Å
322	W	97.2	Very high	95	Very high	46 Å²	46	48.8 Å²	48.8	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.4	171.8	-77.3	96.8	0	0	0	110.8	V111 E429 F430 D432 K547	V111-W322 HydrophobicContact CG1-CZ3 4.04Å; V111-W322 HydrophobicContact CG2-CZ3 4.3Å; W322-E429 VanDerWaalsContact O-CA 3.29Å; W322-E429 WeakPolarHBondContact O-CA 3.5Å; W322-F430 HydrophobicContact CB-CD1 3.92Å; W322-F430 HydrophobicContact CB-CD2 4.25Å; W322-F430 HydrophobicContact CB-CE1 3.54Å; W322-F430 HydrophobicContact CB-CE2 3.91Å; W322-F430 HydrophobicContact CB-CG 4.25Å; W322-F430 HydrophobicContact CB-CZ 3.52Å; W322-F430 AromaticContact CD1-CE2 3.34Å; W322-F430 AromaticContact CD1-CZ 3.58Å; W322-F430 HydrophobicContact CD2-CZ 4.16Å; W322-F430 HydrophobicContact CG-CD2 4.43Å; W322-F430 HydrophobicContact CG-CE1 4.04Å; W322-F430 AromaticContact CG-CE2 3.73Å; W322-F430 HydrophobicContact CG-CE2 3.73Å; W322-F430 AromaticContact CG-CZ 3.48Å; W322-F430 HydrophobicContact CG-CZ 3.48Å; W322-F430 VanDerWaalsContact CG-CZ 3.48Å; W322-F430 PolarHBondContact N-O 2.78Å; W322-F430 PolarHBondContact O-N 3.4Å; W322-D432 VanDerWaalsContact CD1-OD2 3.25Å; W322-D432 PolarHBondContact NE1-OD2 3.42Å; W322-K547 HydrophobicContact CD2-CB 3.9Å; W322-K547 HydrophobicContact CD2-CD 4.15Å; W322-K547 HydrophobicContact CE3-CB 3.65Å; W322-K547 HydrophobicContact CE3-CD 4.29Å; W322-K547 HydrophobicContact CH2-CB 4.34Å; W322-K547 HydrophobicContact CH2-CD 3.6Å; W322-K547 HydrophobicContact CZ2-CD 3.42Å; W322-K547 VanDerWaalsContact CZ2-CD 3.42Å; W322-K547 HydrophobicContact CZ3-CB 3.88Å; W322-K547 HydrophobicContact CZ3-CD 4.04Å
323	K	97.2	Very high	95.1	Very high	69 Å²	69	48.8 Å²	48.8	30%	0.3	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	94.3	168.6	-70.3	177.9	175.4	166.3	0	108.6	C428 E429 E546 K547 T548 E549	K323-C428 CarbonylContact C-O 3.57Å; K323-C428 WeakPolarHBondContact CA-O 3.32Å; K323-E429 WeakPolarHBondContact CE-OE1 3.42Å; K323-E429 WeakPolarHBondContact CG-OE1 3.11Å; K323-E546 HydrophobicContact CD-CG 4.34Å; K323-E546 WeakPolarHBondContact CE-OE2 3.35Å; K323-E546 VanDerWaalsContact NZ-CD 3.27Å; K323-E546 IonicContact NZ-OE1 2.76Å; K323-E546 PolarHBondContact NZ-OE1 3.37Å; K323-E546 IonicContact NZ-OE2 2.93Å; K323-E546 PolarHBondContact NZ-OE2 2.96Å; K323-K547 PolarHBondContact N-O 3.02Å; K323-T548 HydrophobicContact CB-CG2 4.16Å; K323-T548 HydrophobicContact CD-CG2 4.05Å; K323-E549 PolarHBondContact O-N 2.81Å
324	R	96.4	Very high	95.1	Very high	88 Å²	88	54 Å²	54	33%	0.332	26%	0.262	S	S	.	.			trans	-77.1	146.1	175.1	-62.3	-169.8	177.9	-178.9	3.3	110.7	C428 F430 E549	R324-C428 PolarHBondContact N-O 2.91Å; R324-F430 HydrophobicContact CG-CE1 4.35Å; R324-E549 VanDerWaalsContact CA-OE2 3.23Å; R324-E549 WeakPolarHBondContact CA-OE2 3.39Å; R324-E549 WeakPolarHBondContact CB-OE2 3.4Å
325	L	95.6	Very high	94.8	Very high	56 Å²	56	54.4 Å²	54.4	29%	0.293	27%	0.268	S	S	.	.			trans	-90.8	125.6	-179.8	-178	67.2	0	0	0	109.5	V109 T327 E549 L551	V109-L325 HydrophobicContact CG1-CB 4.45Å; V109-L325 HydrophobicContact CG1-CD2 4.12Å; L325-T327 HydrophobicContact CB-CG2 4.38Å; L325-T327 HydrophobicContact CD2-CG2 3.82Å; L325-T327 HydrophobicContact CG-CG2 3.89Å; L325-T327 PolarHBondContact O-N 3.38Å; L325-T327 VanDerWaalsContact O-N 3.16Å; L325-E549 HydrophobicContact CB-CB 3.89Å; L325-E549 PolarHBondContact N-OE2 2.97Å; L325-L551 HydrophobicContact CD2-CD1 4.4Å; L325-L551 HydrophobicContact CD2-CD2 3.57Å; L325-L551 HydrophobicContact CD2-CG 3.5Å; L325-L551 VanDerWaalsContact CD2-CG 3.5Å
326	N	95.4	Very high	94.6	Very high	103 Å²	103	58.6 Å²	58.6	55%	0.551	29%	0.29	S	S	*	.			trans	-71.8	109.6	173.2	-168.5	16.8	0	0	0	109.8	P331 C332	N326-P331 VanDerWaalsContact OD1-CA 3.27Å; N326-P331 WeakPolarHBondContact OD1-CA 3.36Å; N326-C332 VanDerWaalsContact CA-SG 3.58Å; N326-C332 PolarHBondContact OD1-N 2.99Å; N326-C332 VanDerWaalsContact OD1-N 3.1Å
327	T	93.1	Very high	94.4	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.037	32%	0.321	C	S	.	.			trans	-120.2	153.7	179.2	66.7	0	0	0	0	111.2	V109 L325 K329 R330 P331 L551	V109-T327 HydrophobicContact CG1-CG2 4.09Å; L325-T327 HydrophobicContact CB-CG2 4.38Å; L325-T327 HydrophobicContact CD2-CG2 3.82Å; L325-T327 HydrophobicContact CG-CG2 3.89Å; L325-T327 PolarHBondContact O-N 3.38Å; L325-T327 VanDerWaalsContact O-N 3.16Å; T327-K329 PolarHBondContact O-N 2.86Å; T327-K329 VanDerWaalsContact O-N 3.17Å; T327-R330 PolarHBondContact N-O 3.29Å; T327-R330 CarbonylContact O-C 3.56Å; T327-R330 PolarHBondContact O-N 3.21Å; T327-R330 WeakPolarHBondContact OG1-CA 3.29Å; T327-R330 WeakPolarHBondContact OG1-CB 3.43Å; T327-R330 PolarHBondContact OG1-N 2.86Å; T327-R330 PolarHBondContact OG1-O 3.09Å; T327-R330 VanDerWaalsContact OG1-O 3.1Å; T327-P331 WeakPolarHBondContact O-CA 3.33Å; T327-P331 VanDerWaalsContact O-N 3.09Å; T327-L551 HydrophobicContact CG2-CD2 4.14Å
328	P	92.1	Very high	94.2	Very high	99 Å²	99	70 Å²	70	64%	0.643	35%	0.354	S	S	*	.	S	Bend	trans	-59.2	-27.6	176.8	-26.2	35.7	0	0	0	114.5	Y107	Y107-P328 HydrophobicContact CE1-CG 4.11Å; Y107-P328 HydrophobicContact CE2-CB 4.29Å; Y107-P328 HydrophobicContact CE2-CG 4.06Å
329	K	90.7	Very high	94.3	Very high	142 Å²	142	70.7 Å²	70.7	62%	0.617	36%	0.357	S	S	*	.	S	Bend	trans	-88.6	-30	178.7	-71.5	-71.8	-174.6	177	0	113.3	Y107 T327	Y107-K329 HydrophobicContact CD2-CG 3.93Å; T327-K329 PolarHBondContact O-N 2.86Å; T327-K329 VanDerWaalsContact O-N 3.17Å
330	R	91.7	Very high	94.3	Very high	160 Å²	160	74.2 Å²	74.2	60%	0.604	37%	0.373	S	S	*	.	S	Bend	trans	-135.1	77.8	179.7	-60.5	-178	-173	172.1	5.6	108.5	T327	T327-R330 PolarHBondContact N-O 3.29Å; T327-R330 CarbonylContact O-C 3.56Å; T327-R330 PolarHBondContact O-N 3.21Å; T327-R330 WeakPolarHBondContact OG1-CA 3.29Å; T327-R330 WeakPolarHBondContact OG1-CB 3.43Å; T327-R330 PolarHBondContact OG1-N 2.86Å; T327-R330 PolarHBondContact OG1-O 3.09Å; T327-R330 VanDerWaalsContact OG1-O 3.1Å
331	P	95.1	Very high	94.3	Very high	41 Å²	41	74.7 Å²	74.7	27%	0.266	38%	0.375	S	S	.	.			trans	-69.7	149.1	180	27	-34.6	0	0	0	111.2	N326 T327 F425 P426	N326-P331 VanDerWaalsContact OD1-CA 3.27Å; N326-P331 WeakPolarHBondContact OD1-CA 3.36Å; T327-P331 WeakPolarHBondContact O-CA 3.33Å; T327-P331 VanDerWaalsContact O-N 3.09Å; P331-F425 HydrophobicContact CB-CD1 4.14Å; P331-F425 HydrophobicContact CB-CE1 4.17Å; P331-F425 HydrophobicContact CG-CD1 3.57Å; P331-F425 HydrophobicContact CG-CE1 3.37Å; P331-F425 HydrophobicContact CG-CZ 4.4Å; P331-P426 WeakPolarHBondContact O-CD 3.27Å; P331-P426 WeakPolarHBondContact O-CG 3.34Å
332	C	96.4	Very high	94.3	Very high	8 Å²	8	75.1 Å²	75.1	5%	0.054	38%	0.381	C	S	.	.			trans	-129.5	159.4	170.6	68.5	0	0	0	0	109.7	N326 P426 C428	N326-C332 VanDerWaalsContact CA-SG 3.58Å; N326-C332 PolarHBondContact OD1-N 2.99Å; N326-C332 VanDerWaalsContact OD1-N 3.1Å; C332-P426 CarbonylContact C-O 3.52Å; C332-P426 WeakPolarHBondContact CA-O 3.48Å; C332-P426 HydrophobicContact CB-CG 4.32Å; C332-P426 WeakPolarHBondContact CB-O 3.42Å; C332-C428 HydrophobicContact CB-CB 4.01Å; C332-C428 WeakPolarHBondContact CB-SG 3.06Å; C332-C428 PolarHBondContact O-SG 3.26Å; C332-C428 WeakPolarHBondContact SG-CA 3.42Å; C332-C428 WeakPolarHBondContact SG-CB 3.46Å; C332-C428 CovalentContact SG-SG 2.05Å; C332-C428 PolarHBondContact SG-SG 2.93Å
333	I	96	Very high	94.2	Very high	31 Å²	31	73 Å²	73	16%	0.159	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-120.6	152.3	180	62	169.7	0	0	0	112.1	P335 Y350 F425 P426 R427 C428	I333-P335 WeakPolarHBondContact O-CD 3.28Å; I333-Y350 HydrophobicContact CD1-CD1 4.28Å; I333-Y350 HydrophobicContact CD1-CE1 3.76Å; I333-Y350 HydrophobicContact CD1-CE2 4.33Å; I333-Y350 HydrophobicContact CG1-CE1 4.26Å; I333-F425 HydrophobicContact CB-CB 4.41Å; I333-F425 HydrophobicContact CD1-CB 4.33Å; I333-F425 HydrophobicContact CG1-CB 4.02Å; I333-F425 HydrophobicContact CG2-CB 3.72Å; I333-F425 HydrophobicContact CG2-CD2 3.86Å; I333-F425 HydrophobicContact CG2-CG 4.04Å; I333-P426 PolarHBondContact N-O 2.89Å; I333-R427 CarbonylContact O-C 3.57Å; I333-R427 WeakPolarHBondContact O-CA 3.39Å; I333-C428 PolarHBondContact N-SG 3.05Å; I333-C428 VanDerWaalsContact N-SG 3.44Å; I333-C428 PolarHBondContact O-N 3.21Å
334	T	95.7	Very high	94.1	Very high	116 Å²	116	70 Å²	70	71%	0.712	36%	0.36	S	S	*	.			trans	-96.5	109.9	162	-56.9	0	0	0	0	107.1	N336	T334-N336 PolarHBondContact O-N 3.26Å
335	P	92.3	Very high	93.9	Very high	47 Å²	47	70.9 Å²	70.9	31%	0.305	37%	0.371	S	S	.	.			trans	-60	140.5	-176.2	-24.4	34.7	0	0	0	112.2	I333 H339 Y350 R427	I333-P335 WeakPolarHBondContact O-CD 3.28Å; P335-H339 HydrophobicContact CB-CB 4.48Å; P335-Y350 HydrophobicContact CB-CD1 4.31Å; P335-Y350 HydrophobicContact CB-CG 4.34Å; P335-Y350 HydrophobicContact CG-CD1 3.72Å; P335-Y350 HydrophobicContact CG-CG 4.23Å; P335-R427 HydrophobicContact CG-CG 3.68Å
336	N	92.4	Very high	93.8	Very high	89 Å²	89	70.3 Å²	70.3	48%	0.476	37%	0.368	S	S	.	.			trans	-115.9	-177.5	168.8	69.9	11.4	0	0	0	109.2	T334 S338 H339	T334-N336 PolarHBondContact O-N 3.26Å; N336-S338 PolarHBondContact ND2-OG 2.96Å; N336-S338 PolarHBondContact O-N 2.86Å; N336-S338 WeakPolarHBondContact OD1-CB 3.47Å; N336-S338 PolarHBondContact OD1-N 2.66Å; N336-S338 PolarHBondContact OD1-OG 3.21Å; N336-H339 PolarHBondContact N-ND1 3.43Å; N336-H339 PolarHBondContact O-N 3.49Å; N336-H339 VanDerWaalsContact O-N 3.13Å; N336-H339 PolarHBondContact OD1-CE1 3.3Å; N336-H339 VanDerWaalsContact OD1-CE1 3.31Å; N336-H339 PolarHBondContact OD1-N 2.93Å; N336-H339 PolarHBondContact OD1-ND1 3.49Å
337	E	90	Very high	93.8	Very high	164 Å²	164	72.1 Å²	72.1	77%	0.766	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-59.7	-29.2	179	-62.3	-175.3	171	0	0	113.8	H339 Q340	E337-H339 PolarHBondContact O-N 3.34Å; E337-Q340 WeakPolarHBondContact O-CB 3.49Å; E337-Q340 WeakPolarHBondContact O-CG 3.44Å; E337-Q340 PolarHBondContact O-N 3.04Å
338	S	91.5	Very high	94	Very high	98 Å²	98	72.2 Å²	72.2	69%	0.685	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-71.1	-13	179.6	74.7	0	0	0	0	113.7	N336	N336-S338 PolarHBondContact ND2-OG 2.96Å; N336-S338 PolarHBondContact O-N 2.86Å; N336-S338 WeakPolarHBondContact OD1-CB 3.47Å; N336-S338 PolarHBondContact OD1-N 2.66Å; N336-S338 PolarHBondContact OD1-OG 3.21Å
339	H	94.1	Very high	94.1	Very high	59 Å²	59	70.4 Å²	70.4	27%	0.273	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-91.5	-3.2	175.5	-60.6	88.8	0	0	0	112.9	P335 N336 E337 Y350	P335-H339 HydrophobicContact CB-CB 4.48Å; N336-H339 PolarHBondContact N-ND1 3.43Å; N336-H339 PolarHBondContact O-N 3.49Å; N336-H339 VanDerWaalsContact O-N 3.13Å; N336-H339 PolarHBondContact OD1-CE1 3.3Å; N336-H339 VanDerWaalsContact OD1-CE1 3.31Å; N336-H339 PolarHBondContact OD1-N 2.93Å; N336-H339 PolarHBondContact OD1-ND1 3.49Å; E337-H339 PolarHBondContact O-N 3.34Å; H339-Y350 HydrophobicContact CB-CD2 3.71Å; H339-Y350 HydrophobicContact CB-CG 3.93Å
340	Q	95.6	Very high	94.4	Very high	73 Å²	73	64.1 Å²	64.1	34%	0.341	33%	0.328	S	S	.	.			trans	-69.3	150	176.7	-67.7	-177.3	-22.7	0	0	111.1	E337 Y348 N349	E337-Q340 WeakPolarHBondContact O-CB 3.49Å; E337-Q340 WeakPolarHBondContact O-CG 3.44Å; E337-Q340 PolarHBondContact O-N 3.04Å; Q340-Y348 WeakPolarHBondContact CA-O 3.44Å; Q340-Y348 WeakPolarHBondContact CB-O 3.11Å; Q340-N349 PolarHBondContact NE2-OD1 2.85Å
341	Y	96	Very high	94.6	Very high	19 Å²	19	57.3 Å²	57.3	8%	0.075	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	167.7	177.3	67.3	-85.5	0	0	0	110.8	M297 K347 Y348 Q354 V358 P376	M297-Y341 WeakPolarHBondContact CB-OH 2.93Å; Y341-K347 WeakPolarHBondContact O-CA 3.32Å; Y341-Y348 HydrophobicContact CE2-CD2 4.42Å; Y341-Y348 PolarHBondContact N-O 3.17Å; Y341-Y348 PolarHBondContact O-N 3.4Å; Y341-Q354 HydrophobicContact CE1-CB 3.66Å; Y341-Q354 HydrophobicContact CE1-CG 4.44Å; Y341-Q354 HydrophobicContact CE2-CB 4.41Å; Y341-Q354 VanDerWaalsContact OH-CB 3.29Å; Y341-Q354 WeakPolarHBondContact OH-CB 3.34Å; Y341-Q354 WeakPolarHBondContact OH-CG 3.31Å; Y341-V358 HydrophobicContact CD1-CG2 4.46Å; Y341-V358 HydrophobicContact CD2-CG2 3.69Å; Y341-V358 HydrophobicContact CE2-CG2 4.33Å; Y341-V358 HydrophobicContact CG-CG2 3.77Å; Y341-P376 HydrophobicContact CD2-CB 3.89Å; Y341-P376 HydrophobicContact CD2-CG 4.26Å; Y341-P376 HydrophobicContact CE2-CB 3.73Å; Y341-P376 HydrophobicContact CE2-CG 3.75Å
342	L	96	Very high	94.6	Very high	63 Å²	63	57.6 Å²	57.6	33%	0.33	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.6	-178.9	-66.7	170.4	0	0	0	111.1	I346 K347 L378	L342-I346 CarbonylContact C-O 3.56Å; L342-I346 WeakPolarHBondContact CA-O 3.19Å; L342-K347 HydrophobicContact CD2-CB 4.31Å; L342-K347 HydrophobicContact CD2-CG 3.41Å; L342-K347 VanDerWaalsContact CD2-CG 3.41Å; L342-L378 WeakPolarHBondContact O-CD2 3.42Å
343	D	96	Very high	94.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.011	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.4	159.3	176.2	55.7	0	0	0	107.8	N345 I346 Y348 P376 R377	D343-N345 VanDerWaalsContact C-N 3.3Å; D343-N345 PolarHBondContact O-N 3.15Å; D343-I346 PolarHBondContact N-O 3.39Å; D343-I346 WeakPolarHBondContact O-CB 3.11Å; D343-I346 PolarHBondContact O-N 3.46Å; D343-Y348 HydrophobicContact CB-CD2 4.11Å; D343-Y348 HydrophobicContact CB-CE2 3.88Å; D343-P376 HydrophobicContact CB-CB 4.43Å; D343-R377 CarbonylContact C-O 3.53Å; D343-R377 WeakPolarHBondContact CA-O 3.45Å; D343-R377 WeakPolarHBondContact OD1-CA 3.31Å; D343-R377 WeakPolarHBondContact OD1-CB 3.49Å; D343-R377 IonicContact OD1-CZ 2.7Å; D343-R377 PolarHBondContact OD1-N 3.39Å; D343-R377 IonicContact OD1-NE 3.13Å; D343-R377 PolarHBondContact OD1-NE 3.44Å; D343-R377 IonicContact OD1-NH2 3.94Å; D343-R377 PolarHBondContact OD1-NH2 3.1Å; D343-R377 IonicContact OD2-CZ 2.66Å; D343-R377 IonicContact OD2-NE 2.68Å; D343-R377 IonicContact OD2-NH2 3.12Å; D343-R377 PolarHBondContact OD2-NH2 2.96Å
344	L	94.6	Very high	94.5	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.031	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	46.8	-178	-60.7	170	0	0	0	113.6	Y191 I346 R377 I380	Y191-L344 HydrophobicContact CD2-CD1 4.05Å; Y191-L344 HydrophobicContact CD2-CD2 4.34Å; Y191-L344 HydrophobicContact CE2-CB 4.48Å; Y191-L344 HydrophobicContact CE2-CD1 3.46Å; Y191-L344 VanDerWaalsContact CE2-CD1 3.46Å; Y191-L344 HydrophobicContact CE2-CD2 4.35Å; Y191-L344 HydrophobicContact CE2-CG 4.32Å; L344-I346 PolarHBondContact O-N 2.72Å; L344-R377 HydrophobicContact CD2-CB 4.03Å; L344-R377 HydrophobicContact CG-CB 4.13Å; L344-R377 PolarHBondContact N-O 3.45Å; L344-I380 HydrophobicContact CD2-CG1 4.46Å
345	N	92.1	Very high	94.6	Very high	106 Å²	106	55.2 Å²	55.2	57%	0.567	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	7.7	-175.8	-58.7	-16.9	0	0	0	115.9	D343 I380	D343-N345 VanDerWaalsContact C-N 3.3Å; D343-N345 PolarHBondContact O-N 3.15Å; N345-I380 VanDerWaalsContact ND2-CD1 3.3Å; N345-I380 WeakPolarHBondContact ND2-CD1 3.04Å
346	I	93.6	Very high	94.8	Very high	45 Å²	45	54 Å²	54	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.7	173.3	-56.8	173.2	0	0	0	109	Q231 L342 D343 L344 Y348	Q231-I346 VanDerWaalsContact O-CD1 3.22Å; Q231-I346 WeakPolarHBondContact O-CD1 3.39Å; L342-I346 CarbonylContact C-O 3.56Å; L342-I346 WeakPolarHBondContact CA-O 3.19Å; D343-I346 PolarHBondContact N-O 3.39Å; D343-I346 WeakPolarHBondContact O-CB 3.11Å; D343-I346 PolarHBondContact O-N 3.46Å; L344-I346 PolarHBondContact O-N 2.72Å; I346-Y348 HydrophobicContact CB-CE2 3.84Å; I346-Y348 HydrophobicContact CG2-CD2 4.32Å; I346-Y348 HydrophobicContact CG2-CE2 3.62Å; I346-Y348 WeakPolarHBondContact O-CD2 3.04Å
347	K	95.2	Very high	95	Very high	141 Å²	141	51.4 Å²	51.4	61%	0.613	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	132.5	177.5	-69.2	-178.6	179.4	-172.9	0	111.3	Y341 L342	Y341-K347 WeakPolarHBondContact O-CA 3.32Å; L342-K347 HydrophobicContact CD2-CB 4.31Å; L342-K347 HydrophobicContact CD2-CG 3.41Å; L342-K347 VanDerWaalsContact CD2-CG 3.41Å
348	Y	96.5	Very high	95.3	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.6	174.8	-69.6	-81.9	0	0	0	111.7	L232 G295 M297 Q340 Y341 D343 I346	L232-Y348 VanDerWaalsContact CD1-OH 3.31Å; L232-Y348 WeakPolarHBondContact CD1-OH 3.47Å; G295-Y348 WeakPolarHBondContact O-CA 2.92Å; M297-Y348 HydrophobicContact CB-CD1 3.89Å; M297-Y348 HydrophobicContact CB-CE1 4.23Å; M297-Y348 HydrophobicContact CB-CG 4.13Å; M297-Y348 HydrophobicContact SD-CD1 4.19Å; M297-Y348 HydrophobicContact SD-CD2 4.16Å; M297-Y348 HydrophobicContact SD-CE1 3.72Å; M297-Y348 HydrophobicContact SD-CE2 3.71Å; M297-Y348 HydrophobicContact SD-CG 4.38Å; Q340-Y348 WeakPolarHBondContact CA-O 3.44Å; Q340-Y348 WeakPolarHBondContact CB-O 3.11Å; Y341-Y348 HydrophobicContact CE2-CD2 4.42Å; Y341-Y348 PolarHBondContact N-O 3.17Å; Y341-Y348 PolarHBondContact O-N 3.4Å; D343-Y348 HydrophobicContact CB-CD2 4.11Å; D343-Y348 HydrophobicContact CB-CE2 3.88Å; I346-Y348 HydrophobicContact CB-CE2 3.84Å; I346-Y348 HydrophobicContact CG2-CD2 4.32Å; I346-Y348 HydrophobicContact CG2-CE2 3.62Å; I346-Y348 WeakPolarHBondContact O-CD2 3.04Å
349	N	95.7	Very high	95.6	Very high	61 Å²	61	41.9 Å²	41.9	33%	0.326	21%	0.21	S	C	.	.			trans	-71.6	148.2	174.9	-74.7	-19	0	0	0	111.2	I294 G295 T296 Q340 T351	I294-N349 PolarHBondContact O-ND2 2.91Å; G295-N349 PolarHBondContact O-N 3.34Å; T296-N349 HydrophobicContact CG2-CB 4.2Å; Q340-N349 PolarHBondContact NE2-OD1 2.85Å; N349-T351 PolarHBondContact O-N 2.71Å
350	Y	96.9	Very high	95.7	Very high	10 Å²	10	39.1 Å²	39.1	4%	0.039	20%	0.198	C	C	.	.			trans	-57.6	132.9	179.8	-179.1	-92.8	0	0	0	112.4	I333 P335 H339 C355 F425 R427	I333-Y350 HydrophobicContact CD1-CD1 4.28Å; I333-Y350 HydrophobicContact CD1-CE1 3.76Å; I333-Y350 HydrophobicContact CD1-CE2 4.33Å; I333-Y350 HydrophobicContact CG1-CE1 4.26Å; P335-Y350 HydrophobicContact CB-CD1 4.31Å; P335-Y350 HydrophobicContact CB-CG 4.34Å; P335-Y350 HydrophobicContact CG-CD1 3.72Å; P335-Y350 HydrophobicContact CG-CG 4.23Å; H339-Y350 HydrophobicContact CB-CD2 3.71Å; H339-Y350 HydrophobicContact CB-CG 3.93Å; Y350-C355 HydrophobicContact CD2-CB 4.2Å; Y350-C355 HydrophobicContact CE2-CB 3.41Å; Y350-C355 VanDerWaalsContact CE2-CB 3.41Å; Y350-F425 VanDerWaalsContact CE1-O 3.3Å; Y350-F425 WeakPolarHBondContact CE1-O 3.46Å; Y350-F425 PolarHBondContact OH-N 3.19Å; Y350-F425 PolarHBondContact OH-O 3.24Å; Y350-R427 HydrophobicContact CD1-CG 3.76Å; Y350-R427 HydrophobicContact CE1-CG 3.95Å; Y350-R427 WeakPolarHBondContact O-CD 3.44Å
351	T	95.5	Very high	95.8	Very high	17 Å²	17	35.7 Å²	35.7	10%	0.104	18%	0.182	C	C	.	.			trans	-133.8	152	158.9	68.5	0	0	0	0	108.3	T296 N349 T353 Q354 C355	T296-T351 HydrophobicContact CG2-CG2 3.74Å; N349-T351 PolarHBondContact O-N 2.71Å; T351-T353 VanDerWaalsContact C-N 3.33Å; T351-T353 PolarHBondContact O-N 2.91Å; T351-T353 PolarHBondContact OG1-OG1 3.43Å; T351-Q354 PolarHBondContact O-N 2.66Å; T351-Q354 VanDerWaalsContact OG1-CB 3.25Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.41Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.16Å; T351-Q354 PolarHBondContact OG1-N 3.39Å; T351-C355 PolarHBondContact O-N 3.13Å
352	H	95.2	Very high	95.9	Very high	47 Å²	47	37.5 Å²	37.5	22%	0.218	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-42.8	-176.3	177.9	-140.4	0	0	0	112	C355 L356 D420	H352-C355 PolarHBondContact O-N 2.94Å; H352-L356 WeakPolarHBondContact O-CG 3.42Å; H352-L356 PolarHBondContact O-N 3.03Å; H352-D420 IonicContact CE1-OD1 3.51Å; H352-D420 PolarHBondContact CE1-OD1 2.95Å; H352-D420 VanDerWaalsContact CE1-OD1 3.27Å; H352-D420 IonicContact NE2-OD1 2.7Å; H352-D420 PolarHBondContact NE2-OD1 3.36Å
353	T	94.6	Very high	95.9	Very high	76 Å²	76	36 Å²	36	47%	0.466	18%	0.183	S	C	.	.	H	α-helix	trans	-62.6	-45.5	177.6	50.7	0	0	0	0	111.7	T351 C355 L356 L357	T351-T353 VanDerWaalsContact C-N 3.33Å; T351-T353 PolarHBondContact O-N 2.91Å; T351-T353 PolarHBondContact OG1-OG1 3.43Å; T353-C355 PolarHBondContact O-N 3.22Å; T353-L356 PolarHBondContact O-N 3.5Å; T353-L357 WeakPolarHBondContact O-CG 2.92Å; T353-L357 PolarHBondContact O-N 3.5Å; T353-L357 VanDerWaalsContact O-N 3.16Å
354	Q	96	Very high	95.9	Very high	17 Å²	17	35.9 Å²	35.9	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-70.5	-33.9	-177.4	-62.5	-66.7	-16.7	0	0	112.2	Y341 T351 L356 L357 V358	Y341-Q354 HydrophobicContact CE1-CB 3.66Å; Y341-Q354 HydrophobicContact CE1-CG 4.44Å; Y341-Q354 HydrophobicContact CE2-CB 4.41Å; Y341-Q354 VanDerWaalsContact OH-CB 3.29Å; Y341-Q354 WeakPolarHBondContact OH-CB 3.34Å; Y341-Q354 WeakPolarHBondContact OH-CG 3.31Å; T351-Q354 PolarHBondContact O-N 2.66Å; T351-Q354 VanDerWaalsContact OG1-CB 3.25Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.41Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.16Å; T351-Q354 PolarHBondContact OG1-N 3.39Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-L356 PolarHBondContact O-N 3.22Å; Q354-L357 PolarHBondContact O-N 3.31Å; Q354-V358 WeakPolarHBondContact O-CB 3.36Å; Q354-V358 VanDerWaalsContact O-CG2 3.24Å; Q354-V358 WeakPolarHBondContact O-CG2 3.42Å; Q354-V358 PolarHBondContact O-N 3.42Å
355	C	97.1	Very high	96.1	Very high	12 Å²	12	36.7 Å²	36.7	8%	0.081	19%	0.187	C	C	.	.	H	α-helix	trans	-55.6	-47.8	170.9	-177.9	0	0	0	0	111.9	Y350 T351 H352 T353 L357 V358 H359 C424	Y350-C355 HydrophobicContact CD2-CB 4.2Å; Y350-C355 HydrophobicContact CE2-CB 3.41Å; Y350-C355 VanDerWaalsContact CE2-CB 3.41Å; T351-C355 PolarHBondContact O-N 3.13Å; H352-C355 PolarHBondContact O-N 2.94Å; T353-C355 PolarHBondContact O-N 3.22Å; C355-L357 VanDerWaalsContact C-N 3.34Å; C355-L357 PolarHBondContact O-N 3.31Å; C355-V358 PolarHBondContact O-N 3.27Å; C355-H359 PolarHBondContact O-CD2 3.43Å; C355-H359 PolarHBondContact O-N 3.26Å; C355-C424 HydrophobicContact CB-CB 3.81Å; C355-C424 WeakPolarHBondContact CB-SG 2.84Å; C355-C424 WeakPolarHBondContact SG-CA 3.06Å; C355-C424 WeakPolarHBondContact SG-CB 3.32Å; C355-C424 CovalentContact SG-SG 2.05Å; C355-C424 PolarHBondContact SG-SG 3.38Å
356	L	96.8	Very high	96.3	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-42	179.1	-63.9	171.3	0	0	0	111.6	H352 T353 Q354 Q360 K416 D420 C424	H352-L356 WeakPolarHBondContact O-CG 3.42Å; H352-L356 PolarHBondContact O-N 3.03Å; T353-L356 PolarHBondContact O-N 3.5Å; Q354-L356 VanDerWaalsContact C-N 3.33Å; Q354-L356 PolarHBondContact O-N 3.22Å; L356-Q360 WeakPolarHBondContact O-CB 3.29Å; L356-Q360 PolarHBondContact O-N 3.37Å; L356-K416 HydrophobicContact CB-CB 4.42Å; L356-K416 HydrophobicContact CB-CD 4.42Å; L356-K416 HydrophobicContact CB-CG 4.3Å; L356-K416 WeakPolarHBondContact CD2-O 3.45Å; L356-D420 HydrophobicContact CD2-CB 3.9Å; L356-C424 HydrophobicContact CD2-CB 3.68Å; L356-C424 HydrophobicContact CG-CB 4.14Å
357	L	96.4	Very high	96.4	Very high	35 Å²	35	37.7 Å²	37.7	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-38.4	177.3	-61.1	179.3	0	0	0	112.3	T353 Q354 C355 Q360 Q361 K416	T353-L357 WeakPolarHBondContact O-CG 2.92Å; T353-L357 PolarHBondContact O-N 3.5Å; T353-L357 VanDerWaalsContact O-N 3.16Å; Q354-L357 PolarHBondContact O-N 3.31Å; C355-L357 VanDerWaalsContact C-N 3.34Å; C355-L357 PolarHBondContact O-N 3.31Å; L357-Q360 PolarHBondContact O-N 3.5Å; L357-Q361 VanDerWaalsContact O-CB 3.28Å; L357-Q361 WeakPolarHBondContact O-CB 3.28Å; L357-Q361 PolarHBondContact O-N 2.68Å; L357-K416 HydrophobicContact CD2-CD 4.23Å
358	V	96.8	Very high	96.4	Very high	16 Å²	16	31.4 Å²	31.4	10%	0.097	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-48.7	175.3	164.3	0	0	0	0	110.9	Y341 Q354 C355 Q360 Q361 I362 P376 L378	Y341-V358 HydrophobicContact CD1-CG2 4.46Å; Y341-V358 HydrophobicContact CD2-CG2 3.69Å; Y341-V358 HydrophobicContact CE2-CG2 4.33Å; Y341-V358 HydrophobicContact CG-CG2 3.77Å; Q354-V358 WeakPolarHBondContact O-CB 3.36Å; Q354-V358 VanDerWaalsContact O-CG2 3.24Å; Q354-V358 WeakPolarHBondContact O-CG2 3.42Å; Q354-V358 PolarHBondContact O-N 3.42Å; C355-V358 PolarHBondContact O-N 3.27Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 3.16Å; V358-Q361 WeakPolarHBondContact O-CB 3.28Å; V358-Q361 PolarHBondContact O-N 2.7Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; V358-I362 HydrophobicContact CG1-CD1 4.03Å; V358-I362 WeakPolarHBondContact O-CG1 3.32Å; V358-I362 PolarHBondContact O-N 2.82Å; V358-P376 HydrophobicContact CG2-CB 3.95Å; V358-P376 HydrophobicContact CG2-CG 3.96Å; V358-L378 HydrophobicContact CG1-CD1 4.33Å; V358-L378 HydrophobicContact CG1-CD2 4.02Å; V358-L378 HydrophobicContact CG2-CD2 4.16Å
359	H	96.9	Very high	96.4	Very high	45 Å²	45	36.8 Å²	36.8	21%	0.208	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-38.5	178	-82.4	-77.9	0	0	0	112.4	C355 Q361 I362 E363 Y419 C424	C355-H359 PolarHBondContact O-CD2 3.43Å; C355-H359 PolarHBondContact O-N 3.26Å; H359-Q361 VanDerWaalsContact C-N 3.31Å; H359-Q361 PolarHBondContact O-N 2.95Å; H359-I362 PolarHBondContact O-N 3.32Å; H359-E363 WeakPolarHBondContact O-CG 3.3Å; H359-E363 PolarHBondContact O-N 2.67Å; H359-E363 VanDerWaalsContact O-N 3.14Å; H359-Y419 HydrophobicContact CB-CD1 3.95Å; H359-Y419 HydrophobicContact CB-CD2 3.67Å; H359-Y419 HydrophobicContact CB-CE1 4.13Å; H359-Y419 HydrophobicContact CB-CE2 3.88Å; H359-Y419 HydrophobicContact CB-CG 3.72Å; H359-Y419 AromaticContact CG-CD1 3.73Å; H359-Y419 AromaticContact CG-CE1 3.99Å; H359-Y419 AromaticContact CG-CG 3.94Å; H359-Y419 AromaticContact ND1-CD1 3.65Å; H359-Y419 AromaticContact ND1-CE1 3.56Å; H359-C424 VanDerWaalsContact CD2-SG 3.51Å
360	Q	97	Very high	96.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-39.1	172.7	-167.8	172.5	25.3	0	0	111.5	L356 L357 V358 E363 I364 H375 Y410 L411 I415 K416	L356-Q360 WeakPolarHBondContact O-CB 3.29Å; L356-Q360 PolarHBondContact O-N 3.37Å; L357-Q360 PolarHBondContact O-N 3.5Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 3.16Å; Q360-E363 PolarHBondContact O-N 2.64Å; Q360-I364 HydrophobicContact CG-CD1 4.28Å; Q360-I364 VanDerWaalsContact O-CG1 3.27Å; Q360-I364 WeakPolarHBondContact O-CG1 3.34Å; Q360-I364 PolarHBondContact O-N 3.01Å; Q360-H375 PolarHBondContact OE1-CE1 3.32Å; Q360-H375 VanDerWaalsContact OE1-CE1 3.26Å; Q360-Y410 PolarHBondContact NE2-O 3.43Å; Q360-L411 PolarHBondContact NE2-O 3.16Å; Q360-I415 HydrophobicContact CG-CG2 4.06Å; Q360-K416 HydrophobicContact CB-CG 4.29Å; Q360-K416 HydrophobicContact CG-CG 4.49Å; Q360-K416 VanDerWaalsContact OE1-CD 3.28Å; Q360-K416 VanDerWaalsContact OE1-CG 3.28Å
361	Q	97.4	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-39	176.3	-176.4	54	40.1	0	0	112.7	L357 V358 H359 I364 M365 Y372 H375 P376	L357-Q361 VanDerWaalsContact O-CB 3.28Å; L357-Q361 WeakPolarHBondContact O-CB 3.28Å; L357-Q361 PolarHBondContact O-N 2.68Å; V358-Q361 WeakPolarHBondContact O-CB 3.28Å; V358-Q361 PolarHBondContact O-N 2.7Å; V358-Q361 VanDerWaalsContact O-N 3.14Å; H359-Q361 VanDerWaalsContact C-N 3.31Å; H359-Q361 PolarHBondContact O-N 2.95Å; Q361-I364 PolarHBondContact O-N 2.92Å; Q361-M365 HydrophobicContact CG-SD 3.92Å; Q361-M365 VanDerWaalsContact NE2-CG 3.26Å; Q361-M365 VanDerWaalsContact O-CG 3.28Å; Q361-M365 WeakPolarHBondContact O-CG 3.44Å; Q361-M365 PolarHBondContact O-N 2.86Å; Q361-Y372 PolarHBondContact OE1-O 3.43Å; Q361-H375 HydrophobicContact CB-CB 4Å; Q361-H375 HydrophobicContact CG-CB 4.27Å; Q361-P376 WeakPolarHBondContact CG-O 3.06Å
362	I	96.8	Very high	96.5	Very high	58 Å²	58	35.2 Å²	35.2	30%	0.297	18%	0.179	S	C	.	.	H	α-helix	trans	-61.6	-45	174.6	-68.2	167	0	0	0	110.5	V358 H359 I364 M365 N366 L378	V358-I362 HydrophobicContact CG1-CD1 4.03Å; V358-I362 WeakPolarHBondContact O-CG1 3.32Å; V358-I362 PolarHBondContact O-N 2.82Å; H359-I362 PolarHBondContact O-N 3.32Å; I362-I364 VanDerWaalsContact C-N 3.33Å; I362-I364 PolarHBondContact O-N 3.2Å; I362-M365 PolarHBondContact O-N 3.48Å; I362-N366 WeakPolarHBondContact CG2-ND2 3.44Å; I362-N366 WeakPolarHBondContact O-CB 3.41Å; I362-N366 PolarHBondContact O-N 3.13Å; I362-N366 PolarHBondContact O-ND2 3.44Å; I362-L378 HydrophobicContact CD1-CD1 4.06Å; I362-L378 HydrophobicContact CG1-CD1 3.47Å; I362-L378 VanDerWaalsContact CG1-CD1 3.47Å
363	E	96.6	Very high	96.5	Very high	30 Å²	30	33.3 Å²	33.3	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-40.1	176.3	-68.5	-85.7	-156.7	0	0	111.6	H359 Q360 N367 Y410 I415 K418 Y419	H359-E363 WeakPolarHBondContact O-CG 3.3Å; H359-E363 PolarHBondContact O-N 2.67Å; H359-E363 VanDerWaalsContact O-N 3.14Å; Q360-E363 PolarHBondContact O-N 2.64Å; E363-N367 VanDerWaalsContact O-CB 3.29Å; E363-N367 WeakPolarHBondContact O-CB 3.4Å; E363-N367 PolarHBondContact O-N 2.89Å; E363-N367 PolarHBondContact O-ND2 2.83Å; E363-N367 PolarHBondContact OE2-ND2 3.08Å; E363-Y410 HydrophobicContact CB-CD1 3.91Å; E363-Y410 HydrophobicContact CB-CE1 4.12Å; E363-I415 HydrophobicContact CG-CG2 4.39Å; E363-K418 IonicContact OE1-NZ 3.27Å; E363-K418 PolarHBondContact OE1-NZ 2.77Å; E363-Y419 HydrophobicContact CG-CE2 4.23Å; E363-Y419 PolarHBondContact OE1-OH 3.42Å
364	I	97.3	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-45	175.6	-66.3	163.4	0	0	0	110.8	Q360 Q361 I362 N366 C368 H369 L407 L411	Q360-I364 HydrophobicContact CG-CD1 4.28Å; Q360-I364 VanDerWaalsContact O-CG1 3.27Å; Q360-I364 WeakPolarHBondContact O-CG1 3.34Å; Q360-I364 PolarHBondContact O-N 3.01Å; Q361-I364 PolarHBondContact O-N 2.92Å; I362-I364 VanDerWaalsContact C-N 3.33Å; I362-I364 PolarHBondContact O-N 3.2Å; I364-N366 PolarHBondContact O-N 3.06Å; I364-C368 HydrophobicContact CG2-CB 4.29Å; I364-C368 WeakPolarHBondContact O-CA 3.34Å; I364-C368 VanDerWaalsContact O-CB 3.26Å; I364-C368 WeakPolarHBondContact O-CB 3.49Å; I364-C368 PolarHBondContact O-N 2.8Å; I364-H369 PolarHBondContact O-N 2.85Å; I364-L407 HydrophobicContact CD1-CD1 3.9Å; I364-L407 HydrophobicContact CG1-CD1 4.25Å; I364-L407 HydrophobicContact CG2-CD1 3.95Å; I364-L411 HydrophobicContact CD1-CD2 4.07Å
365	M	96.9	Very high	96.5	Very high	24 Å²	24	33.1 Å²	33.1	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-41.4	179.9	-72.2	166.6	59.3	0	0	112.2	Q361 I362 H369 I371 L378 I379 L385	Q361-M365 HydrophobicContact CG-SD 3.92Å; Q361-M365 VanDerWaalsContact NE2-CG 3.26Å; Q361-M365 VanDerWaalsContact O-CG 3.28Å; Q361-M365 WeakPolarHBondContact O-CG 3.44Å; Q361-M365 PolarHBondContact O-N 2.86Å; I362-M365 PolarHBondContact O-N 3.48Å; M365-H369 WeakPolarHBondContact O-CA 3.24Å; M365-H369 PolarHBondContact O-N 3.22Å; M365-H369 PolarHBondContact O-ND1 2.94Å; M365-I371 HydrophobicContact CG-CG1 4.43Å; M365-L378 HydrophobicContact SD-CD1 4.39Å; M365-I379 HydrophobicContact CE-CD1 4.08Å; M365-I379 HydrophobicContact CE-CG1 4.06Å; M365-L385 HydrophobicContact CB-CD2 4.31Å; M365-L385 HydrophobicContact CE-CD2 3.48Å; M365-L385 VanDerWaalsContact CE-CD2 3.48Å; M365-L385 HydrophobicContact CG-CD2 3.98Å; M365-L385 HydrophobicContact SD-CD2 4.39Å
366	N	96.8	Very high	96.4	Very high	103 Å²	103	32.8 Å²	32.8	55%	0.551	16%	0.163	S	C	*	.	H	α-helix	trans	-73.2	-37.8	-177.5	-70.1	-12.9	0	0	0	112.5	I362 I364 H369	I362-N366 WeakPolarHBondContact CG2-ND2 3.44Å; I362-N366 WeakPolarHBondContact O-CB 3.41Å; I362-N366 PolarHBondContact O-N 3.13Å; I362-N366 PolarHBondContact O-ND2 3.44Å; I364-N366 PolarHBondContact O-N 3.06Å; N366-H369 PolarHBondContact O-CE1 3.19Å; N366-H369 VanDerWaalsContact O-CE1 3.22Å
367	N	96.3	Very high	96.4	Very high	69 Å²	69	32 Å²	32	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-100.9	-32.9	-172.4	-58.8	-55.9	0	0	0	113.8	E363 Y410	E363-N367 VanDerWaalsContact O-CB 3.29Å; E363-N367 WeakPolarHBondContact O-CB 3.4Å; E363-N367 PolarHBondContact O-N 2.89Å; E363-N367 PolarHBondContact O-ND2 2.83Å; E363-N367 PolarHBondContact OE2-ND2 3.08Å; N367-Y410 HydrophobicContact CB-CE1 4.25Å; N367-Y410 HydrophobicContact CB-CE2 3.68Å; N367-Y410 WeakPolarHBondContact CB-OH 3.27Å; N367-Y410 WeakPolarHBondContact ND2-CE1 3.36Å; N367-Y410 PolarHBondContact ND2-OH 3.25Å
368	C	95.9	Very high	96.4	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.054	16%	0.158	C	C	.	.	H	α-helix	trans	-105.9	-5.4	-178.9	-52.4	0	0	0	0	113.5	I364 C370 C406	I364-C368 HydrophobicContact CG2-CB 4.29Å; I364-C368 WeakPolarHBondContact O-CA 3.34Å; I364-C368 VanDerWaalsContact O-CB 3.26Å; I364-C368 WeakPolarHBondContact O-CB 3.49Å; I364-C368 PolarHBondContact O-N 2.8Å; C368-C370 PolarHBondContact O-N 2.88Å; C368-C406 WeakPolarHBondContact CA-SG 3.37Å; C368-C406 HydrophobicContact CB-CB 3.8Å; C368-C406 WeakPolarHBondContact CB-SG 3.45Å; C368-C406 WeakPolarHBondContact SG-CB 3.36Å; C368-C406 CovalentContact SG-SG 2.04Å; C368-C406 PolarHBondContact SG-SG 3.47Å
369	H	95.4	Very high	96.3	Very high	120 Å²	120	34.3 Å²	34.3	56%	0.556	17%	0.169	S	C	*	.			trans	51.5	38.5	179.3	-56.4	-50.3	0	0	0	114	I364 M365 N366 L385	I364-H369 PolarHBondContact O-N 2.85Å; M365-H369 WeakPolarHBondContact O-CA 3.24Å; M365-H369 PolarHBondContact O-N 3.22Å; M365-H369 PolarHBondContact O-ND1 2.94Å; N366-H369 PolarHBondContact O-CE1 3.19Å; N366-H369 VanDerWaalsContact O-CE1 3.22Å; H369-L385 HydrophobicContact CB-CD1 4.39Å
370	C	96.2	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-146.4	162.5	175.7	70.4	0	0	0	0	111.9	C368 P386 C388	C368-C370 PolarHBondContact O-N 2.88Å; C370-P386 CarbonylContact C-O 3.59Å; C370-P386 VanDerWaalsContact CA-O 3.28Å; C370-P386 WeakPolarHBondContact CA-O 3.29Å; C370-C388 VanDerWaalsContact C-SG 3.58Å; C370-C388 HydrophobicContact CB-CB 3.84Å; C370-C388 WeakPolarHBondContact CB-SG 3.42Å; C370-C388 WeakPolarHBondContact SG-CB 3.26Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.83Å
371	I	97.2	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-101.5	126.1	178	-55.6	176.5	0	0	0	109.4	M365 R377 I379 P381 L385 P386 Y387 C388	M365-I371 HydrophobicContact CG-CG1 4.43Å; I371-R377 HydrophobicContact CG2-CB 4.15Å; I371-R377 HydrophobicContact CG2-CG 3.77Å; I371-I379 HydrophobicContact CD1-CD1 4.49Å; I371-I379 HydrophobicContact CD1-CG1 3.86Å; I371-P381 HydrophobicContact CD1-CB 4.24Å; I371-P381 HydrophobicContact CD1-CG 4.21Å; I371-L385 HydrophobicContact CD1-CD2 4.1Å; I371-L385 HydrophobicContact CD1-CG 4.4Å; I371-L385 HydrophobicContact CG1-CD2 3.83Å; I371-L385 HydrophobicContact CG1-CG 4Å; I371-P386 PolarHBondContact N-O 2.04Å; I371-Y387 HydrophobicContact CB-CD1 3.91Å; I371-Y387 HydrophobicContact CB-CE1 4.32Å; I371-Y387 HydrophobicContact CG2-CD1 3.99Å; I371-Y387 HydrophobicContact CG2-CE1 3.97Å; I371-Y387 WeakPolarHBondContact O-CA 3.44Å; I371-C388 PolarHBondContact O-N 3.3Å; I371-C388 PolarHBondContact O-SG 2.98Å; I371-C388 VanDerWaalsContact O-SG 3.34Å
372	Y	96.8	Very high	95.9	Very high	56 Å²	56	39 Å²	39	22%	0.22	20%	0.201	C	C	.	.			trans	-88.4	121.3	175	-175.8	-123.6	0	0	0	109.4	Q361 M374 H375 L407 L411	Q361-Y372 PolarHBondContact OE1-O 3.43Å; Y372-M374 VanDerWaalsContact C-N 3.28Å; Y372-M374 HydrophobicContact CD1-CB 4.1Å; Y372-M374 HydrophobicContact CE1-CB 3.57Å; Y372-M374 HydrophobicContact CE1-CG 3.85Å; Y372-M374 HydrophobicContact CE2-CG 4.3Å; Y372-M374 PolarHBondContact O-N 3.22Å; Y372-H375 AromaticContact CD1-CD2 3.76Å; Y372-H375 AromaticContact CD1-CE1 3.76Å; Y372-H375 AromaticContact CD1-CG 3.8Å; Y372-H375 AromaticContact CD1-ND1 3.8Å; Y372-H375 AromaticContact CD1-NE2 3.75Å; Y372-H375 AromaticContact CE1-NE2 3.85Å; Y372-H375 PolarHBondContact O-N 2.94Å; Y372-L407 HydrophobicContact CD2-CD1 3.95Å; Y372-L407 HydrophobicContact CD2-CD2 3.78Å; Y372-L407 HydrophobicContact CD2-CG 4.44Å; Y372-L407 HydrophobicContact CE2-CD2 4.06Å; Y372-L407 HydrophobicContact CG-CD1 4.06Å; Y372-L411 HydrophobicContact CD1-CD2 3.72Å; Y372-L411 HydrophobicContact CE1-CD1 4.36Å; Y372-L411 HydrophobicContact CE1-CD2 3.54Å; Y372-L411 HydrophobicContact CE2-CD1 4.22Å; Y372-L411 HydrophobicContact CG-CD2 4.3Å
373	V	95.4	Very high	95.5	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.4	-165.6	76.8	0	0	0	0	114.2	Y186 Q187 H235 H375 Y387	Y186-V373 HydrophobicContact CD1-CG2 4.06Å; Y186-V373 HydrophobicContact CE1-CG2 4.16Å; Q187-V373 HydrophobicContact CG-CB 3.93Å; Q187-V373 HydrophobicContact CG-CG1 4.28Å; Q187-V373 HydrophobicContact CG-CG2 3.9Å; H235-V373 HydrophobicContact CB-CG1 4.35Å; H235-V373 HydrophobicContact CB-CG2 3.61Å; V373-H375 VanDerWaalsContact C-N 3.31Å; V373-Y387 HydrophobicContact CB-CD1 4.26Å; V373-Y387 HydrophobicContact CB-CE1 4.34Å; V373-Y387 HydrophobicContact CG2-CD1 4.3Å; V373-Y387 HydrophobicContact CG2-CE1 3.98Å
374	M	94.1	Very high	95.2	Very high	71 Å²	71	48.2 Å²	48.2	35%	0.35	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.5	-178.6	-54	-59.6	-165	0	0	113.2	H235 Y372	H235-M374 VanDerWaalsContact CE1-CE 3.44Å; H235-M374 WeakPolarHBondContact CE1-CE 3.33Å; H235-M374 PolarHBondContact CE1-SD 3.47Å; H235-M374 PolarHBondContact NE2-SD 2.02Å; Y372-M374 VanDerWaalsContact C-N 3.28Å; Y372-M374 HydrophobicContact CD1-CB 4.1Å; Y372-M374 HydrophobicContact CE1-CB 3.57Å; Y372-M374 HydrophobicContact CE1-CG 3.85Å; Y372-M374 HydrophobicContact CE2-CG 4.3Å; Y372-M374 PolarHBondContact O-N 3.22Å
375	H	95.6	Very high	95	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.088	26%	0.262	C	S	.	.	S	Bend	trans	-101.1	162.9	176.1	-66.1	173.8	0	0	0	110.5	Q360 Q361 Y372 V373 R377	Q360-H375 PolarHBondContact OE1-CE1 3.32Å; Q360-H375 VanDerWaalsContact OE1-CE1 3.26Å; Q361-H375 HydrophobicContact CB-CB 4Å; Q361-H375 HydrophobicContact CG-CB 4.27Å; Y372-H375 AromaticContact CD1-CD2 3.76Å; Y372-H375 AromaticContact CD1-CE1 3.76Å; Y372-H375 AromaticContact CD1-CG 3.8Å; Y372-H375 AromaticContact CD1-ND1 3.8Å; Y372-H375 AromaticContact CD1-NE2 3.75Å; Y372-H375 AromaticContact CE1-NE2 3.85Å; Y372-H375 PolarHBondContact O-N 2.94Å; V373-H375 VanDerWaalsContact C-N 3.31Å; H375-R377 PolarHBondContact O-N 3.44Å
376	P	96.7	Very high	94.9	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	26%	0.26	C	S	.	.			trans	-54.8	121.3	172.9	-28.6	37.9	0	0	0	112.5	Y341 D343 V358 Q361 L378	Y341-P376 HydrophobicContact CD2-CB 3.89Å; Y341-P376 HydrophobicContact CD2-CG 4.26Å; Y341-P376 HydrophobicContact CE2-CB 3.73Å; Y341-P376 HydrophobicContact CE2-CG 3.75Å; D343-P376 HydrophobicContact CB-CB 4.43Å; V358-P376 HydrophobicContact CG2-CB 3.95Å; V358-P376 HydrophobicContact CG2-CG 3.96Å; Q361-P376 WeakPolarHBondContact CG-O 3.06Å; P376-L378 PolarHBondContact O-N 3.04Å; P376-L378 VanDerWaalsContact O-N 3.15Å
377	R	96.7	Very high	94.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.026	24%	0.235	C	C	.	.			trans	-85.8	90.3	-177	-59.7	152.5	-68.8	-162.9	-5.3	108.9	Y186 S233 D343 L344 I371 H375 I379 Y387	Y186-R377 PolarHBondContact OH-NH1 2.96Å; S233-R377 PolarHBondContact O-NH1 2.93Å; S233-R377 VanDerWaalsContact O-NH1 3.11Å; S233-R377 PolarHBondContact O-NH2 3.3Å; D343-R377 CarbonylContact C-O 3.53Å; D343-R377 WeakPolarHBondContact CA-O 3.45Å; D343-R377 WeakPolarHBondContact OD1-CA 3.31Å; D343-R377 WeakPolarHBondContact OD1-CB 3.49Å; D343-R377 IonicContact OD1-CZ 2.7Å; D343-R377 PolarHBondContact OD1-N 3.39Å; D343-R377 IonicContact OD1-NE 3.13Å; D343-R377 PolarHBondContact OD1-NE 3.44Å; D343-R377 IonicContact OD1-NH2 3.94Å; D343-R377 PolarHBondContact OD1-NH2 3.1Å; D343-R377 IonicContact OD2-CZ 2.66Å; D343-R377 IonicContact OD2-NE 2.68Å; D343-R377 IonicContact OD2-NH2 3.12Å; D343-R377 PolarHBondContact OD2-NH2 2.96Å; L344-R377 HydrophobicContact CD2-CB 4.03Å; L344-R377 HydrophobicContact CG-CB 4.13Å; L344-R377 PolarHBondContact N-O 3.45Å; I371-R377 HydrophobicContact CG2-CB 4.15Å; I371-R377 HydrophobicContact CG2-CG 3.77Å; H375-R377 PolarHBondContact O-N 3.44Å; R377-I379 PolarHBondContact O-N 3.49Å; R377-Y387 VanDerWaalsContact CD-OH 3.29Å; R377-Y387 WeakPolarHBondContact CD-OH 3.5Å; R377-Y387 HydrophobicContact CG-CE1 4.06Å
378	L	96.1	Very high	94.8	Very high	31 Å²	31	41 Å²	41	16%	0.162	22%	0.218	C	C	.	.	S	Bend	trans	-55.9	-25.3	-174.1	-55.9	-177.5	0	0	0	114.2	L342 V358 I362 M365 P376	L342-L378 WeakPolarHBondContact O-CD2 3.42Å; V358-L378 HydrophobicContact CG1-CD1 4.33Å; V358-L378 HydrophobicContact CG1-CD2 4.02Å; V358-L378 HydrophobicContact CG2-CD2 4.16Å; I362-L378 HydrophobicContact CD1-CD1 4.06Å; I362-L378 HydrophobicContact CG1-CD1 3.47Å; I362-L378 VanDerWaalsContact CG1-CD1 3.47Å; M365-L378 HydrophobicContact SD-CD1 4.39Å; P376-L378 PolarHBondContact O-N 3.04Å; P376-L378 VanDerWaalsContact O-N 3.15Å
379	I	94.5	Very high	94.6	Very high	67 Å²	67	40.9 Å²	40.9	34%	0.344	22%	0.218	S	C	.	.	S	Bend	trans	-133.9	159.9	177.2	68.1	172.3	0	0	0	110.7	M365 I371 R377 L385	M365-I379 HydrophobicContact CE-CD1 4.08Å; M365-I379 HydrophobicContact CE-CG1 4.06Å; I371-I379 HydrophobicContact CD1-CD1 4.49Å; I371-I379 HydrophobicContact CD1-CG1 3.86Å; R377-I379 PolarHBondContact O-N 3.49Å; I379-L385 HydrophobicContact CD1-CB 4.34Å; I379-L385 HydrophobicContact CD1-CD2 3.4Å; I379-L385 HydrophobicContact CD1-CG 4.47Å; I379-L385 HydrophobicContact CG1-CD2 4.14Å
380	I	94.8	Very high	94.4	Very high	68 Å²	68	38.6 Å²	38.6	35%	0.349	21%	0.208	S	C	.	.			trans	-69.5	129.4	169.4	-60.9	176.9	0	0	0	108.6	Y191 L344 N345	Y191-I380 HydrophobicContact CD1-CD1 4.32Å; Y191-I380 HydrophobicContact CD1-CG1 4.48Å; Y191-I380 HydrophobicContact CD1-CG2 4.07Å; Y191-I380 HydrophobicContact CE1-CD1 4.37Å; Y191-I380 HydrophobicContact CG-CG2 4.43Å; L344-I380 HydrophobicContact CD2-CG1 4.46Å; N345-I380 VanDerWaalsContact ND2-CD1 3.3Å; N345-I380 WeakPolarHBondContact ND2-CD1 3.04Å
381	P	94.5	Very high	94.2	Very high	30 Å²	30	38.7 Å²	38.7	20%	0.195	21%	0.208	C	C	.	.			trans	-56	139.6	177.9	-18.2	23.8	0	0	0	112.3	I371 Y387	I371-P381 HydrophobicContact CD1-CB 4.24Å; I371-P381 HydrophobicContact CD1-CG 4.21Å; P381-Y387 HydrophobicContact CB-CD2 4.08Å; P381-Y387 HydrophobicContact CB-CE2 3.95Å; P381-Y387 HydrophobicContact CG-CD1 4.26Å; P381-Y387 HydrophobicContact CG-CD2 3.82Å; P381-Y387 HydrophobicContact CG-CE1 3.69Å; P381-Y387 HydrophobicContact CG-CE2 3.24Å; P381-Y387 HydrophobicContact CG-CG 4.31Å; P381-Y387 WeakPolarHBondContact CG-OH 3.2Å
382	S	92.9	Very high	93.9	Very high	48 Å²	48	43.1 Å²	43.1	34%	0.336	23%	0.225	S	C	.	.			trans	-135.8	171	-179.2	63	0	0	0	0	110.2	T384 L385 P386	S382-T384 PolarHBondContact O-N 3.39Å; S382-T384 PolarHBondContact OG-OG1 2.82Å; S382-T384 VanDerWaalsContact OG-OG1 3.09Å; S382-L385 PolarHBondContact N-O 3.26Å; S382-L385 VanDerWaalsContact N-O 3.13Å; S382-L385 CarbonylContact O-C 3.53Å; S382-L385 PolarHBondContact O-N 2.84Å; S382-L385 VanDerWaalsContact O-N 3.15Å; S382-L385 PolarHBondContact OG-N 2.88Å; S382-P386 WeakPolarHBondContact O-CA 3.25Å
383	N	87.8	Confident	93.5	Very high	157 Å²	157	44.6 Å²	44.6	84%	0.84	24%	0.242	S	C	*	.	S	Bend	trans	-61.5	-28.8	178	-66.6	-15.5	0	0	0	112.9
384	T	91.4	Very high	93	Very high	124 Å²	124	53 Å²	53	76%	0.761	28%	0.278	S	S	*	.	S	Bend	trans	-82.4	-25.9	177.6	51.2	0	0	0	0	112.9	S382	S382-T384 PolarHBondContact O-N 3.39Å; S382-T384 PolarHBondContact OG-OG1 2.82Å; S382-T384 VanDerWaalsContact OG-OG1 3.09Å
385	L	93.9	Very high	92.6	Very high	22 Å²	22	51.5 Å²	51.5	12%	0.115	27%	0.271	C	S	.	.	S	Bend	trans	-135.7	77.6	175.5	-159.1	77.6	0	0	0	109.5	M365 H369 I371 I379 S382	M365-L385 HydrophobicContact CB-CD2 4.31Å; M365-L385 HydrophobicContact CE-CD2 3.48Å; M365-L385 VanDerWaalsContact CE-CD2 3.48Å; M365-L385 HydrophobicContact CG-CD2 3.98Å; M365-L385 HydrophobicContact SD-CD2 4.39Å; H369-L385 HydrophobicContact CB-CD1 4.39Å; I371-L385 HydrophobicContact CD1-CD2 4.1Å; I371-L385 HydrophobicContact CD1-CG 4.4Å; I371-L385 HydrophobicContact CG1-CD2 3.83Å; I371-L385 HydrophobicContact CG1-CG 4Å; I379-L385 HydrophobicContact CD1-CB 4.34Å; I379-L385 HydrophobicContact CD1-CD2 3.4Å; I379-L385 HydrophobicContact CD1-CG 4.47Å; I379-L385 HydrophobicContact CG1-CD2 4.14Å; S382-L385 PolarHBondContact N-O 3.26Å; S382-L385 VanDerWaalsContact N-O 3.13Å; S382-L385 CarbonylContact O-C 3.53Å; S382-L385 PolarHBondContact O-N 2.84Å; S382-L385 VanDerWaalsContact O-N 3.15Å; S382-L385 PolarHBondContact OG-N 2.88Å
386	P	94.4	Very high	92.2	Very high	12 Å²	12	54.5 Å²	54.5	8%	0.078	29%	0.287	C	S	.	.			trans	-76.6	171.7	-178.8	31.8	-36	0	0	0	111.2	C370 I371 S382 Q390	C370-P386 CarbonylContact C-O 3.59Å; C370-P386 VanDerWaalsContact CA-O 3.28Å; C370-P386 WeakPolarHBondContact CA-O 3.29Å; I371-P386 PolarHBondContact N-O 2.04Å; S382-P386 WeakPolarHBondContact O-CA 3.25Å; P386-Q390 HydrophobicContact CB-CB 4.23Å
387	Y	95.7	Very high	91.6	Very high	8 Å²	8	57.3 Å²	57.3	3%	0.031	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-63.9	148.5	163.4	-72	-63.8	0	0	0	111	Y186 Q187 I371 V373 R377 P381 G389 Q390	Y186-Y387 HydrophobicContact CE1-CE2 4.17Å; Y186-Y387 AromaticContact CE1-CZ 3.98Å; Q187-Y387 HydrophobicContact CB-CD2 3.85Å; Q187-Y387 HydrophobicContact CB-CG 3.93Å; Q187-Y387 HydrophobicContact CG-CD1 4.23Å; Q187-Y387 HydrophobicContact CG-CD2 3.97Å; Q187-Y387 HydrophobicContact CG-CG 3.75Å; I371-Y387 HydrophobicContact CB-CD1 3.91Å; I371-Y387 HydrophobicContact CB-CE1 4.32Å; I371-Y387 HydrophobicContact CG2-CD1 3.99Å; I371-Y387 HydrophobicContact CG2-CE1 3.97Å; I371-Y387 WeakPolarHBondContact O-CA 3.44Å; V373-Y387 HydrophobicContact CB-CD1 4.26Å; V373-Y387 HydrophobicContact CB-CE1 4.34Å; V373-Y387 HydrophobicContact CG2-CD1 4.3Å; V373-Y387 HydrophobicContact CG2-CE1 3.98Å; R377-Y387 VanDerWaalsContact CD-OH 3.29Å; R377-Y387 WeakPolarHBondContact CD-OH 3.5Å; R377-Y387 HydrophobicContact CG-CE1 4.06Å; P381-Y387 HydrophobicContact CB-CD2 4.08Å; P381-Y387 HydrophobicContact CB-CE2 3.95Å; P381-Y387 HydrophobicContact CG-CD1 4.26Å; P381-Y387 HydrophobicContact CG-CD2 3.82Å; P381-Y387 HydrophobicContact CG-CE1 3.69Å; P381-Y387 HydrophobicContact CG-CE2 3.24Å; P381-Y387 HydrophobicContact CG-CG 4.31Å; P381-Y387 WeakPolarHBondContact CG-OH 3.2Å; Y387-G389 PolarHBondContact O-N 3.4Å; Y387-Q390 WeakPolarHBondContact O-CB 3.33Å; Y387-Q390 PolarHBondContact O-N 2.99Å
388	C	94.3	Very high	91.1	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.02	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.2	178.7	-56.2	0	0	0	0	112.5	C370 I371 L407	C370-C388 VanDerWaalsContact C-SG 3.58Å; C370-C388 HydrophobicContact CB-CB 3.84Å; C370-C388 WeakPolarHBondContact CB-SG 3.42Å; C370-C388 WeakPolarHBondContact SG-CB 3.26Å; C370-C388 CovalentContact SG-SG 2.04Å; C370-C388 PolarHBondContact SG-SG 2.83Å; I371-C388 PolarHBondContact O-N 3.3Å; I371-C388 PolarHBondContact O-SG 2.98Å; I371-C388 VanDerWaalsContact O-SG 3.34Å; C388-L407 HydrophobicContact CB-CD2 4Å
389	G	92	Very high	90.7	Very high	5 Å²	5	63.7 Å²	63.7	5%	0.052	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	22.7	176.4	0	0	0	0	0	115.2	Q187 N188 Y387 L391	Q187-G389 VanDerWaalsContact OE1-CA 3.27Å; N188-G389 PolarHBondContact ND2-O 2.81Å; Y387-G389 PolarHBondContact O-N 3.4Å; G389-L391 WeakPolarHBondContact O-CD1 3.17Å
390	Q	92.5	Very high	90.4	Very high	72 Å²	72	61 Å²	61	34%	0.336	32%	0.321	S	S	.	.			trans	-80.9	119.4	176.2	-174.5	173.6	-19.3	0	0	111.5	P386 Y387 W392	P386-Q390 HydrophobicContact CB-CB 4.23Å; Y387-Q390 WeakPolarHBondContact O-CB 3.33Å; Y387-Q390 PolarHBondContact O-N 2.99Å; Q390-W392 PolarHBondContact NE2-O 3.45Å
391	L	91.6	Very high	90	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.32	C	S	.	.			trans	-121.6	-21.2	177.7	-54	96.7	0	0	0	113.4	Y156 M157 I176 Y179 V184 N188 G389 K394 L395 F400	Y156-L391 HydrophobicContact CE1-CB 4.4Å; Y156-L391 PolarHBondContact OH-O 3.27Å; M157-L391 HydrophobicContact CE-CD2 4.14Å; M157-L391 HydrophobicContact SD-CD2 4.37Å; I176-L391 HydrophobicContact CG2-CD2 4.42Å; Y179-L391 HydrophobicContact CD1-CD1 3.71Å; Y179-L391 HydrophobicContact CD1-CD2 4.34Å; Y179-L391 HydrophobicContact CE1-CD1 4.41Å; V184-L391 HydrophobicContact CG1-CD1 3.93Å; N188-L391 PolarHBondContact OD1-N 3.43Å; G389-L391 WeakPolarHBondContact O-CD1 3.17Å; L391-K394 CarbonylContact O-C 3.57Å; L391-L395 HydrophobicContact CB-CD1 4.25Å; L391-L395 HydrophobicContact CD2-CD1 3.93Å; L391-L395 HydrophobicContact CD2-CD2 4.35Å; L391-L395 HydrophobicContact CG-CD1 4.19Å; L391-L395 PolarHBondContact O-N 3.02Å; L391-F400 HydrophobicContact CD1-CE2 4.47Å; L391-F400 HydrophobicContact CD2-CD2 4.48Å; L391-F400 HydrophobicContact CD2-CE2 4.05Å; L391-F400 HydrophobicContact CD2-CZ 4.08Å; L391-F400 HydrophobicContact CG-CD2 4.4Å; L391-F400 HydrophobicContact CG-CE2 4.09Å
392	W	90.7	Very high	89.8	Confident	93 Å²	93	65.6 Å²	65.6	35%	0.352	34%	0.34	S	S	.	.			trans	-93.9	143.4	-179.9	179.9	-91.5	0	0	0	111.1	L148 Y153 Y156 N188 Q390	L148-W392 HydrophobicContact CD1-CD2 4.32Å; L148-W392 HydrophobicContact CD1-CE3 4.49Å; L148-W392 HydrophobicContact CD1-CH2 4.06Å; L148-W392 HydrophobicContact CD1-CZ2 3.87Å; L148-W392 HydrophobicContact CD1-CZ3 4.37Å; L148-W392 HydrophobicContact CD2-CD2 3.95Å; L148-W392 HydrophobicContact CD2-CG 3.93Å; Y153-W392 HydrophobicContact CE2-CB 4.42Å; Y156-W392 AromaticContact CD1-CE3 3.66Å; Y156-W392 HydrophobicContact CD1-CE3 3.66Å; Y156-W392 HydrophobicContact CD1-CZ3 4.23Å; Y156-W392 AromaticContact CD2-CE3 3.74Å; Y156-W392 HydrophobicContact CD2-CE3 3.74Å; Y156-W392 AromaticContact CD2-CZ3 3.58Å; Y156-W392 HydrophobicContact CD2-CZ3 3.58Å; Y156-W392 HydrophobicContact CE1-CB 4.48Å; Y156-W392 AromaticContact CE1-CE3 3.96Å; Y156-W392 HydrophobicContact CE1-CE3 3.96Å; Y156-W392 HydrophobicContact CE2-CE3 4.06Å; Y156-W392 HydrophobicContact CE2-CZ3 4.2Å; Y156-W392 AromaticContact CG-CE3 3.51Å; Y156-W392 HydrophobicContact CG-CE3 3.51Å; Y156-W392 AromaticContact CG-CZ3 3.59Å; Y156-W392 HydrophobicContact CG-CZ3 3.59Å; N188-W392 HydrophobicContact CB-CB 4.13Å; N188-W392 WeakPolarHBondContact OD1-CB 3.33Å; N188-W392 PolarHBondContact OD1-N 3.46Å; Q390-W392 PolarHBondContact NE2-O 3.45Å
393	P	87.3	Confident	89.8	Confident	87 Å²	87	65 Å²	65	57%	0.565	33%	0.332	S	S	*	.	S	Bend	cis	-87.4	-9.4	3.2	34.4	-35.9	0	0	0	115.3
394	K	86.2	Confident	89.9	Confident	184 Å²	184	59.9 Å²	59.9	80%	0.8	30%	0.304	S	S	*	.			trans	-140.1	124.2	-179.6	-66.4	-177.4	-179.1	178.5	0	109.7	L391 N396	L391-K394 CarbonylContact O-C 3.57Å; K394-N396 PolarHBondContact O-N 3.22Å
395	L	85.5	Confident	89.9	Confident	38 Å²	38	59.3 Å²	59.3	20%	0.199	30%	0.295	C	S	.	.			trans	-81	115.2	173.6	179.2	61.7	0	0	0	110	Y156 L160 L391 F400	Y156-L395 PolarHBondContact OH-N 2.64Å; L160-L395 HydrophobicContact CD1-CB 4.09Å; L160-L395 HydrophobicContact CD1-CD2 3.91Å; L160-L395 HydrophobicContact CD2-CB 4.15Å; L160-L395 HydrophobicContact CD2-CD2 4.33Å; L391-L395 HydrophobicContact CB-CD1 4.25Å; L391-L395 HydrophobicContact CD2-CD1 3.93Å; L391-L395 HydrophobicContact CD2-CD2 4.35Å; L391-L395 HydrophobicContact CG-CD1 4.19Å; L391-L395 PolarHBondContact O-N 3.02Å; L395-F400 HydrophobicContact CD1-CB 3.6Å; L395-F400 HydrophobicContact CD1-CD1 4.19Å; L395-F400 HydrophobicContact CD1-CD2 4.15Å; L395-F400 HydrophobicContact CD1-CG 3.71Å
396	N	87.6	Confident	90	Very high	82 Å²	82	59.7 Å²	59.7	44%	0.439	30%	0.3	S	S	.	.			trans	-87.9	105.2	162.8	-175.1	3.5	0	0	0	108.6	K394 T398 E399 F400	K394-N396 PolarHBondContact O-N 3.22Å; N396-T398 PolarHBondContact O-N 2.99Å; N396-T398 PolarHBondContact OD1-OG1 3.36Å; N396-E399 HydrophobicContact CB-CB 4Å; N396-E399 WeakPolarHBondContact ND2-CB 3.32Å; N396-E399 PolarHBondContact ND2-OE2 3.37Å; N396-E399 PolarHBondContact O-N 3.45Å; N396-F400 VanDerWaalsContact O-CB 3.3Å; N396-F400 WeakPolarHBondContact O-CB 3.38Å; N396-F400 PolarHBondContact O-N 3.18Å
397	Q	83.7	Confident	90	Very high	63 Å²	63	59.8 Å²	59.8	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-45.7	-170.7	174.6	176	-12.4	0	0	112.9	D169 L172 F400 I401	D169-Q397 PolarHBondContact OD2-NE2 2.89Å; L172-Q397 HydrophobicContact CD1-CG 4.33Å; L172-Q397 VanDerWaalsContact CD2-CD 3.49Å; L172-Q397 HydrophobicContact CD2-CG 3.84Å; Q397-F400 PolarHBondContact O-N 2.91Å; Q397-I401 HydrophobicContact CG-CD1 3.79Å; Q397-I401 VanDerWaalsContact O-CG1 3.3Å; Q397-I401 WeakPolarHBondContact O-CG1 3.37Å; Q397-I401 PolarHBondContact O-N 3.14Å
398	T	86.2	Confident	90	Very high	89 Å²	89	63 Å²	63	55%	0.546	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-49.4	-177.4	49.7	0	0	0	0	110.7	N396 F400 I401 E402	N396-T398 PolarHBondContact O-N 2.99Å; N396-T398 PolarHBondContact OD1-OG1 3.36Å; T398-F400 VanDerWaalsContact C-N 3.33Å; T398-F400 PolarHBondContact O-N 3.48Å; T398-I401 PolarHBondContact O-N 3.32Å; T398-E402 WeakPolarHBondContact O-CB 3.19Å; T398-E402 VanDerWaalsContact O-CG 3.31Å; T398-E402 WeakPolarHBondContact O-CG 3.44Å; T398-E402 PolarHBondContact O-N 3.14Å
399	E	87.9	Confident	90	Very high	83 Å²	83	69.8 Å²	69.8	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-39.4	178.5	-176.6	-174.6	166.2	0	0	112.3	N396 K403	N396-E399 HydrophobicContact CB-CB 4Å; N396-E399 WeakPolarHBondContact ND2-CB 3.32Å; N396-E399 PolarHBondContact ND2-OE2 3.37Å; N396-E399 PolarHBondContact O-N 3.45Å; E399-K403 HydrophobicContact CG-CD 4.36Å; E399-K403 WeakPolarHBondContact O-CB 3.43Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.36Å; E399-K403 PolarHBondContact O-N 3.45Å; E399-K403 WeakPolarHBondContact OE1-CE 3.49Å; E399-K403 IonicContact OE1-NZ 2.67Å; E399-K403 PolarHBondContact OE1-NZ 3.37Å
400	F	88.4	Confident	90.2	Very high	10 Å²	10	71.3 Å²	71.3	4%	0.044	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-47.9	177.3	177.1	-104	0	0	0	111.8	I176 Y179 L391 L395 N396 Q397 T398 E402 K403 I404	I176-F400 HydrophobicContact CG2-CE1 3.9Å; I176-F400 HydrophobicContact CG2-CZ 4.47Å; Y179-F400 HydrophobicContact CD1-CZ 4.19Å; Y179-F400 AromaticContact CE1-CE2 3.9Å; Y179-F400 HydrophobicContact CE1-CE2 3.9Å; Y179-F400 AromaticContact CE1-CZ 3.5Å; Y179-F400 HydrophobicContact CE1-CZ 3.5Å; Y179-F400 VanDerWaalsContact CE1-CZ 3.5Å; Y179-F400 AromaticContact CZ-CZ 3.73Å; L391-F400 HydrophobicContact CD1-CE2 4.47Å; L391-F400 HydrophobicContact CD2-CD2 4.48Å; L391-F400 HydrophobicContact CD2-CE2 4.05Å; L391-F400 HydrophobicContact CD2-CZ 4.08Å; L391-F400 HydrophobicContact CG-CD2 4.4Å; L391-F400 HydrophobicContact CG-CE2 4.09Å; L395-F400 HydrophobicContact CD1-CB 3.6Å; L395-F400 HydrophobicContact CD1-CD1 4.19Å; L395-F400 HydrophobicContact CD1-CD2 4.15Å; L395-F400 HydrophobicContact CD1-CG 3.71Å; N396-F400 VanDerWaalsContact O-CB 3.3Å; N396-F400 WeakPolarHBondContact O-CB 3.38Å; N396-F400 PolarHBondContact O-N 3.18Å; Q397-F400 PolarHBondContact O-N 2.91Å; T398-F400 VanDerWaalsContact C-N 3.33Å; T398-F400 PolarHBondContact O-N 3.48Å; F400-E402 VanDerWaalsContact C-N 3.34Å; F400-E402 PolarHBondContact O-N 3.49Å; F400-K403 PolarHBondContact O-N 3.39Å; F400-I404 HydrophobicContact CD1-CG1 4.45Å; F400-I404 HydrophobicContact CD2-CG1 4.31Å; F400-I404 HydrophobicContact CE1-CG1 4.03Å; F400-I404 HydrophobicContact CE2-CD1 4.03Å; F400-I404 HydrophobicContact CE2-CG1 3.87Å; F400-I404 HydrophobicContact CZ-CD1 4.1Å; F400-I404 HydrophobicContact CZ-CG1 3.72Å; F400-I404 WeakPolarHBondContact O-CG1 3.28Å; F400-I404 PolarHBondContact O-N 2.72Å
401	I	86.2	Confident	90.3	Very high	63 Å²	63	70.5 Å²	70.5	32%	0.323	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-45	178.2	-68.4	169.6	0	0	0	110.3	L172 Q397 T398 K403 I404 L405	L172-I401 HydrophobicContact CD1-CD1 4.46Å; Q397-I401 HydrophobicContact CG-CD1 3.79Å; Q397-I401 VanDerWaalsContact O-CG1 3.3Å; Q397-I401 WeakPolarHBondContact O-CG1 3.37Å; Q397-I401 PolarHBondContact O-N 3.14Å; T398-I401 PolarHBondContact O-N 3.32Å; I401-K403 VanDerWaalsContact C-N 3.35Å; I401-K403 PolarHBondContact O-N 3.05Å; I401-I404 PolarHBondContact O-N 3.34Å; I401-L405 HydrophobicContact CG2-CD1 3.78Å; I401-L405 HydrophobicContact CG2-CG 4.21Å; I401-L405 WeakPolarHBondContact O-CB 3.43Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 2.82Å
402	E	90.6	Very high	90.4	Very high	132 Å²	132	74.5 Å²	74.5	62%	0.617	38%	0.376	S	S	*	.	H	α-helix	trans	-58.5	-44.3	176.4	-75.2	173.6	-175.9	0	0	112.1	T398 F400 C406	T398-E402 WeakPolarHBondContact O-CB 3.19Å; T398-E402 VanDerWaalsContact O-CG 3.31Å; T398-E402 WeakPolarHBondContact O-CG 3.44Å; T398-E402 PolarHBondContact O-N 3.14Å; F400-E402 VanDerWaalsContact C-N 3.34Å; F400-E402 PolarHBondContact O-N 3.49Å; E402-C406 VanDerWaalsContact O-CB 3.26Å; E402-C406 WeakPolarHBondContact O-CB 3.26Å; E402-C406 PolarHBondContact O-N 3.33Å
403	K	91.3	Very high	90.5	Very high	36 Å²	36	74.6 Å²	74.6	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-45.2	176.3	-77.7	175.1	-173.3	171.8	0	112.5	E399 F400 I401 C406 L407	E399-K403 HydrophobicContact CG-CD 4.36Å; E399-K403 WeakPolarHBondContact O-CB 3.43Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.36Å; E399-K403 PolarHBondContact O-N 3.45Å; E399-K403 WeakPolarHBondContact OE1-CE 3.49Å; E399-K403 IonicContact OE1-NZ 2.67Å; E399-K403 PolarHBondContact OE1-NZ 3.37Å; F400-K403 PolarHBondContact O-N 3.39Å; I401-K403 VanDerWaalsContact C-N 3.35Å; I401-K403 PolarHBondContact O-N 3.05Å; K403-C406 PolarHBondContact O-N 3.28Å; K403-L407 VanDerWaalsContact O-CB 3.27Å; K403-L407 WeakPolarHBondContact O-CB 3.48Å; K403-L407 PolarHBondContact O-N 3.03Å
404	I	90	Very high	90.8	Very high	50 Å²	50	73.9 Å²	73.9	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-43.2	-179.6	-65.2	-58.3	0	0	0	111.3	Y179 F400 I401 L407 S408	Y179-I404 WeakPolarHBondContact OH-CD1 3.31Å; F400-I404 HydrophobicContact CD1-CG1 4.45Å; F400-I404 HydrophobicContact CD2-CG1 4.31Å; F400-I404 HydrophobicContact CE1-CG1 4.03Å; F400-I404 HydrophobicContact CE2-CD1 4.03Å; F400-I404 HydrophobicContact CE2-CG1 3.87Å; F400-I404 HydrophobicContact CZ-CD1 4.1Å; F400-I404 HydrophobicContact CZ-CG1 3.72Å; F400-I404 WeakPolarHBondContact O-CG1 3.28Å; F400-I404 PolarHBondContact O-N 2.72Å; I401-I404 PolarHBondContact O-N 3.34Å; I404-L407 PolarHBondContact O-N 3.49Å; I404-S408 PolarHBondContact O-N 3.42Å
405	L	92.6	Very high	91.1	Very high	111 Å²	111	66.7 Å²	66.7	58%	0.581	35%	0.347	S	S	*	.	H	α-helix	trans	-61.3	-44.7	174.5	-70.1	176.4	0	0	0	111	I401 S408 K409	I401-L405 HydrophobicContact CG2-CD1 3.78Å; I401-L405 HydrophobicContact CG2-CG 4.21Å; I401-L405 WeakPolarHBondContact O-CB 3.43Å; I401-L405 VanDerWaalsContact O-CG 3.29Å; I401-L405 WeakPolarHBondContact O-CG 3.48Å; I401-L405 PolarHBondContact O-N 2.82Å; L405-S408 PolarHBondContact O-N 3.32Å; L405-S408 PolarHBondContact O-OG 3.05Å; L405-K409 PolarHBondContact O-N 3.01Å
406	C	95.5	Very high	91.5	Very high	31 Å²	31	67.5 Å²	67.5	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-49.5	173.9	-173.3	0	0	0	0	111.6	C368 E402 K403 S408 K409 Y410	C368-C406 WeakPolarHBondContact CA-SG 3.37Å; C368-C406 HydrophobicContact CB-CB 3.8Å; C368-C406 WeakPolarHBondContact CB-SG 3.45Å; C368-C406 WeakPolarHBondContact SG-CB 3.36Å; C368-C406 CovalentContact SG-SG 2.04Å; C368-C406 PolarHBondContact SG-SG 3.47Å; E402-C406 VanDerWaalsContact O-CB 3.26Å; E402-C406 WeakPolarHBondContact O-CB 3.26Å; E402-C406 PolarHBondContact O-N 3.33Å; K403-C406 PolarHBondContact O-N 3.28Å; C406-S408 VanDerWaalsContact C-N 3.33Å; C406-S408 PolarHBondContact O-N 3.27Å; C406-K409 WeakPolarHBondContact O-CB 3.34Å; C406-K409 PolarHBondContact O-N 3.14Å; C406-K409 VanDerWaalsContact O-N 3.12Å; C406-Y410 WeakPolarHBondContact O-CD2 3.05Å; C406-Y410 PolarHBondContact O-N 3.01Å
407	L	95.6	Very high	91.7	Very high	14 Å²	14	69.6 Å²	69.6	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-56.6	-46.6	179.7	178.7	63.7	0	0	0	111.3	I364 Y372 C388 K403 I404 K409 Y410 L411	I364-L407 HydrophobicContact CD1-CD1 3.9Å; I364-L407 HydrophobicContact CG1-CD1 4.25Å; I364-L407 HydrophobicContact CG2-CD1 3.95Å; Y372-L407 HydrophobicContact CD2-CD1 3.95Å; Y372-L407 HydrophobicContact CD2-CD2 3.78Å; Y372-L407 HydrophobicContact CD2-CG 4.44Å; Y372-L407 HydrophobicContact CE2-CD2 4.06Å; Y372-L407 HydrophobicContact CG-CD1 4.06Å; C388-L407 HydrophobicContact CB-CD2 4Å; K403-L407 VanDerWaalsContact O-CB 3.27Å; K403-L407 WeakPolarHBondContact O-CB 3.48Å; K403-L407 PolarHBondContact O-N 3.03Å; I404-L407 PolarHBondContact O-N 3.49Å; L407-K409 PolarHBondContact O-N 3.45Å; L407-Y410 PolarHBondContact O-N 3.28Å; L407-L411 HydrophobicContact CD1-CD1 4Å; L407-L411 HydrophobicContact CD1-CD2 4.05Å; L407-L411 HydrophobicContact CD1-CG 3.81Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.74Å; L407-L411 HydrophobicContact CG-CG 3.99Å; L407-L411 WeakPolarHBondContact O-CG 3.29Å; L407-L411 PolarHBondContact O-N 2.05Å
408	S	94.2	Very high	92.3	Very high	76 Å²	76	72.5 Å²	72.5	53%	0.531	37%	0.368	S	S	.	.	H	α-helix	trans	-56.2	-36.5	179.2	76.5	0	0	0	0	113.2	I404 L405 C406	I404-S408 PolarHBondContact O-N 3.42Å; L405-S408 PolarHBondContact O-N 3.32Å; L405-S408 PolarHBondContact O-OG 3.05Å; C406-S408 VanDerWaalsContact C-N 3.33Å; C406-S408 PolarHBondContact O-N 3.27Å
409	K	95.4	Very high	92.7	Very high	145 Å²	145	69.3 Å²	69.3	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-39.8	176.9	-178.7	-175.5	175.8	-174.1	0	111.5	L405 C406 L407	L405-K409 PolarHBondContact O-N 3.01Å; C406-K409 WeakPolarHBondContact O-CB 3.34Å; C406-K409 PolarHBondContact O-N 3.14Å; C406-K409 VanDerWaalsContact O-N 3.12Å; L407-K409 PolarHBondContact O-N 3.45Å
410	Y	95.6	Very high	93	Very high	36 Å²	36	68.8 Å²	68.8	14%	0.141	35%	0.346	C	S	.	.	H	α-helix	trans	-88.1	-15.8	-176.1	-77.2	-85	0	0	0	114.6	Q360 E363 N367 C406 L407 N412 I415	Q360-Y410 PolarHBondContact NE2-O 3.43Å; E363-Y410 HydrophobicContact CB-CD1 3.91Å; E363-Y410 HydrophobicContact CB-CE1 4.12Å; N367-Y410 HydrophobicContact CB-CE1 4.25Å; N367-Y410 HydrophobicContact CB-CE2 3.68Å; N367-Y410 WeakPolarHBondContact CB-OH 3.27Å; N367-Y410 WeakPolarHBondContact ND2-CE1 3.36Å; N367-Y410 PolarHBondContact ND2-OH 3.25Å; C406-Y410 WeakPolarHBondContact O-CD2 3.05Å; C406-Y410 PolarHBondContact O-N 3.01Å; L407-Y410 PolarHBondContact O-N 3.28Å; Y410-N412 PolarHBondContact O-N 2.83Å; Y410-I415 HydrophobicContact CD1-CD1 4.33Å; Y410-I415 HydrophobicContact CD1-CG1 4.39Å; Y410-I415 WeakPolarHBondContact O-CG1 3.1Å
411	L	94.5	Very high	93.1	Very high	55 Å²	55	70 Å²	70	29%	0.288	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.6	172.8	-71.5	-179.5	0	0	0	113.7	Q360 I364 Y372 L407 N413	Q360-L411 PolarHBondContact NE2-O 3.16Å; I364-L411 HydrophobicContact CD1-CD2 4.07Å; Y372-L411 HydrophobicContact CD1-CD2 3.72Å; Y372-L411 HydrophobicContact CE1-CD1 4.36Å; Y372-L411 HydrophobicContact CE1-CD2 3.54Å; Y372-L411 HydrophobicContact CE2-CD1 4.22Å; Y372-L411 HydrophobicContact CG-CD2 4.3Å; L407-L411 HydrophobicContact CD1-CD1 4Å; L407-L411 HydrophobicContact CD1-CD2 4.05Å; L407-L411 HydrophobicContact CD1-CG 3.81Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.74Å; L407-L411 HydrophobicContact CG-CG 3.99Å; L407-L411 WeakPolarHBondContact O-CG 3.29Å; L407-L411 PolarHBondContact O-N 2.05Å; L411-N413 PolarHBondContact O-N 3.26Å
412	N	93.5	Very high	93.3	Very high	86 Å²	86	74 Å²	74	46%	0.46	38%	0.378	S	S	.	.	S	Bend	trans	-58.8	137.3	176.5	-167.3	-17	0	0	0	111.8	Y410 T414 I415	Y410-N412 PolarHBondContact O-N 2.83Å; N412-T414 VanDerWaalsContact CG-OG1 3.25Å; N412-T414 PolarHBondContact ND2-OG1 2.86Å; N412-T414 PolarHBondContact O-N 3.23Å; N412-T414 VanDerWaalsContact O-N 3.11Å; N412-T414 PolarHBondContact OD1-N 3.49Å; N412-T414 PolarHBondContact OD1-OG1 2.58Å; N412-I415 WeakPolarHBondContact O-CB 3.42Å; N412-I415 PolarHBondContact O-N 3.03Å
413	N	92.1	Very high	93.4	Very high	96 Å²	96	73.2 Å²	73.2	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-24.4	179.1	-75.7	-30.3	0	0	0	113.4	L411 I415 K416 Q417	L411-N413 PolarHBondContact O-N 3.26Å; N413-I415 PolarHBondContact O-N 3.47Å; N413-K416 PolarHBondContact O-N 2.97Å; N413-K416 VanDerWaalsContact O-N 3.12Å; N413-K416 WeakPolarHBondContact OD1-CE 3.3Å; N413-K416 PolarHBondContact OD1-NZ 3.5Å; N413-Q417 WeakPolarHBondContact O-CG 3.27Å; N413-Q417 PolarHBondContact O-N 3.29Å; N413-Q417 VanDerWaalsContact O-N 3.08Å
414	T	94.5	Very high	93.7	Very high	72 Å²	72	71.5 Å²	71.5	44%	0.442	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-31.5	174.2	54.8	0	0	0	0	112.7	N412 Q417 K418	N412-T414 VanDerWaalsContact CG-OG1 3.25Å; N412-T414 PolarHBondContact ND2-OG1 2.86Å; N412-T414 PolarHBondContact O-N 3.23Å; N412-T414 VanDerWaalsContact O-N 3.11Å; N412-T414 PolarHBondContact OD1-N 3.49Å; N412-T414 PolarHBondContact OD1-OG1 2.58Å; T414-Q417 PolarHBondContact O-N 3.4Å; T414-K418 PolarHBondContact O-N 3.26Å
415	I	92.9	Very high	94	Very high	32 Å²	32	71.2 Å²	71.2	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-42.1	176.7	-57.2	-54.8	0	0	0	110.9	Q360 E363 Y410 N412 N413 K418 Y419	Q360-I415 HydrophobicContact CG-CG2 4.06Å; E363-I415 HydrophobicContact CG-CG2 4.39Å; Y410-I415 HydrophobicContact CD1-CD1 4.33Å; Y410-I415 HydrophobicContact CD1-CG1 4.39Å; Y410-I415 WeakPolarHBondContact O-CG1 3.1Å; N412-I415 WeakPolarHBondContact O-CB 3.42Å; N412-I415 PolarHBondContact O-N 3.03Å; N413-I415 PolarHBondContact O-N 3.47Å; I415-K418 WeakPolarHBondContact O-CB 3.38Å; I415-K418 PolarHBondContact O-N 2.74Å; I415-Y419 VanDerWaalsContact O-CD2 3.25Å; I415-Y419 WeakPolarHBondContact O-CD2 3.32Å
416	K	92.2	Very high	94.2	Very high	55 Å²	55	67 Å²	67	24%	0.239	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-41.8	175.4	-71.2	179.9	-69.7	-168.3	0	111.7	L356 L357 Q360 N413 K418 Y419 D420	L356-K416 HydrophobicContact CB-CB 4.42Å; L356-K416 HydrophobicContact CB-CD 4.42Å; L356-K416 HydrophobicContact CB-CG 4.3Å; L356-K416 WeakPolarHBondContact CD2-O 3.45Å; L357-K416 HydrophobicContact CD2-CD 4.23Å; Q360-K416 HydrophobicContact CB-CG 4.29Å; Q360-K416 HydrophobicContact CG-CG 4.49Å; Q360-K416 VanDerWaalsContact OE1-CD 3.28Å; Q360-K416 VanDerWaalsContact OE1-CG 3.28Å; N413-K416 PolarHBondContact O-N 2.97Å; N413-K416 VanDerWaalsContact O-N 3.12Å; N413-K416 WeakPolarHBondContact OD1-CE 3.3Å; N413-K416 PolarHBondContact OD1-NZ 3.5Å; K416-K418 PolarHBondContact O-N 2.85Å; K416-Y419 PolarHBondContact O-N 2.68Å; K416-D420 PolarHBondContact O-N 2.85Å
417	Q	93.5	Very high	94.3	Very high	127 Å²	127	67.4 Å²	67.4	59%	0.593	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-29.3	-179.7	-72.4	174.5	-16.2	0	0	113.4	N413 T414 Y419 D420	N413-Q417 WeakPolarHBondContact O-CG 3.27Å; N413-Q417 PolarHBondContact O-N 3.29Å; N413-Q417 VanDerWaalsContact O-N 3.08Å; T414-Q417 PolarHBondContact O-N 3.4Å; Q417-Y419 PolarHBondContact O-N 3.29Å; Q417-D420 PolarHBondContact O-N 2.79Å
418	K	95.1	Very high	94.3	Very high	123 Å²	123	67.8 Å²	67.8	54%	0.535	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-30.7	173.2	-178	-176	168.6	-168.6	0	112.8	E363 T414 I415 K416	E363-K418 IonicContact OE1-NZ 3.27Å; E363-K418 PolarHBondContact OE1-NZ 2.77Å; T414-K418 PolarHBondContact O-N 3.26Å; I415-K418 WeakPolarHBondContact O-CB 3.38Å; I415-K418 PolarHBondContact O-N 2.74Å; K416-K418 PolarHBondContact O-N 2.85Å
419	Y	95.2	Very high	94.4	Very high	23 Å²	23	68 Å²	68	9%	0.09	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-21.3	-175.2	-63.3	-75.5	0	0	0	113.5	H359 E363 I415 K416 Q417 G421 H422 M423 C424	H359-Y419 HydrophobicContact CB-CD1 3.95Å; H359-Y419 HydrophobicContact CB-CD2 3.67Å; H359-Y419 HydrophobicContact CB-CE1 4.13Å; H359-Y419 HydrophobicContact CB-CE2 3.88Å; H359-Y419 HydrophobicContact CB-CG 3.72Å; H359-Y419 AromaticContact CG-CD1 3.73Å; H359-Y419 AromaticContact CG-CE1 3.99Å; H359-Y419 AromaticContact CG-CG 3.94Å; H359-Y419 AromaticContact ND1-CD1 3.65Å; H359-Y419 AromaticContact ND1-CE1 3.56Å; E363-Y419 HydrophobicContact CG-CE2 4.23Å; E363-Y419 PolarHBondContact OE1-OH 3.42Å; I415-Y419 VanDerWaalsContact O-CD2 3.25Å; I415-Y419 WeakPolarHBondContact O-CD2 3.32Å; K416-Y419 PolarHBondContact O-N 2.68Å; Q417-Y419 PolarHBondContact O-N 3.29Å; Y419-G421 PolarHBondContact O-N 2.83Å; Y419-H422 PolarHBondContact O-N 2.81Å; Y419-M423 HydrophobicContact CD1-CB 4.29Å; Y419-M423 HydrophobicContact CD1-CG 4.32Å; Y419-M423 HydrophobicContact CD1-SD 3.65Å; Y419-M423 HydrophobicContact CE1-SD 3.8Å; Y419-M423 PolarHBondContact O-N 2.93Å; Y419-C424 PolarHBondContact O-N 2.6Å
420	D	94.6	Very high	94.4	Very high	72 Å²	72	61.9 Å²	61.9	39%	0.385	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-69.1	124.5	-178.6	-166.7	20.1	0	0	0	111.5	H352 L356 K416 Q417 H422	H352-D420 IonicContact CE1-OD1 3.51Å; H352-D420 PolarHBondContact CE1-OD1 2.95Å; H352-D420 VanDerWaalsContact CE1-OD1 3.27Å; H352-D420 IonicContact NE2-OD1 2.7Å; H352-D420 PolarHBondContact NE2-OD1 3.36Å; L356-D420 HydrophobicContact CD2-CB 3.9Å; K416-D420 PolarHBondContact O-N 2.85Å; Q417-D420 PolarHBondContact O-N 2.79Å; D420-H422 VanDerWaalsContact C-N 3.25Å; D420-H422 PolarHBondContact O-N 3.06Å
421	G	90.7	Very high	94.4	Very high	35 Å²	35	61.7 Å²	61.7	36%	0.361	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	5.2	-178.7	0	0	0	0	0	115.5	Y419 C424 F425	Y419-G421 PolarHBondContact O-N 2.83Å; G421-C424 PolarHBondContact N-O 3.05Å; G421-F425 WeakPolarHBondContact O-CE1 3.41Å
422	H	89.9	Confident	94.3	Very high	146 Å²	146	62.4 Å²	62.4	68%	0.676	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-54.8	174	-66.9	-56.8	0	0	0	112.4	Y419 D420 F425	Y419-H422 PolarHBondContact O-N 2.81Å; D420-H422 VanDerWaalsContact C-N 3.25Å; D420-H422 PolarHBondContact O-N 3.06Å; H422-F425 WeakPolarHBondContact O-CE2 3.28Å; H422-F425 WeakPolarHBondContact O-CZ 3.35Å
423	M	93.3	Very high	94.3	Very high	117 Å²	117	59.7 Å²	59.7	58%	0.576	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-41.2	176.9	-69.1	-172.7	173.1	0	0	111.3	Y419	Y419-M423 HydrophobicContact CD1-CB 4.29Å; Y419-M423 HydrophobicContact CD1-CG 4.32Å; Y419-M423 HydrophobicContact CD1-SD 3.65Å; Y419-M423 HydrophobicContact CE1-SD 3.8Å; Y419-M423 PolarHBondContact O-N 2.93Å
424	C	96.6	Very high	94.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-99	110.6	177.8	-63.3	0	0	0	0	109.8	C355 L356 H359 Y419 G421	C355-C424 HydrophobicContact CB-CB 3.81Å; C355-C424 WeakPolarHBondContact CB-SG 2.84Å; C355-C424 WeakPolarHBondContact SG-CA 3.06Å; C355-C424 WeakPolarHBondContact SG-CB 3.32Å; C355-C424 CovalentContact SG-SG 2.05Å; C355-C424 PolarHBondContact SG-SG 3.38Å; L356-C424 HydrophobicContact CD2-CB 3.68Å; L356-C424 HydrophobicContact CG-CB 4.14Å; H359-C424 VanDerWaalsContact CD2-SG 3.51Å; Y419-C424 PolarHBondContact O-N 2.6Å; G421-C424 PolarHBondContact N-O 3.05Å
425	F	96.5	Very high	94.3	Very high	44 Å²	44	59.4 Å²	59.4	19%	0.193	29%	0.294	C	S	.	.			trans	-106.7	148.8	175.8	-64.4	-72	0	0	0	111.7	P331 I333 Y350 G421 H422	P331-F425 HydrophobicContact CB-CD1 4.14Å; P331-F425 HydrophobicContact CB-CE1 4.17Å; P331-F425 HydrophobicContact CG-CD1 3.57Å; P331-F425 HydrophobicContact CG-CE1 3.37Å; P331-F425 HydrophobicContact CG-CZ 4.4Å; I333-F425 HydrophobicContact CB-CB 4.41Å; I333-F425 HydrophobicContact CD1-CB 4.33Å; I333-F425 HydrophobicContact CG1-CB 4.02Å; I333-F425 HydrophobicContact CG2-CB 3.72Å; I333-F425 HydrophobicContact CG2-CD2 3.86Å; I333-F425 HydrophobicContact CG2-CG 4.04Å; Y350-F425 VanDerWaalsContact CE1-O 3.3Å; Y350-F425 WeakPolarHBondContact CE1-O 3.46Å; Y350-F425 PolarHBondContact OH-N 3.19Å; Y350-F425 PolarHBondContact OH-O 3.24Å; G421-F425 WeakPolarHBondContact O-CE1 3.41Å; H422-F425 WeakPolarHBondContact O-CE2 3.28Å; H422-F425 WeakPolarHBondContact O-CZ 3.35Å
426	P	96.5	Very high	94.4	Very high	23 Å²	23	60.9 Å²	60.9	15%	0.149	31%	0.305	C	S	.	.			trans	-60.1	151.9	168.8	26.2	-33.8	0	0	0	111.6	P331 C332 I333	P331-P426 WeakPolarHBondContact O-CD 3.27Å; P331-P426 WeakPolarHBondContact O-CG 3.34Å; C332-P426 CarbonylContact C-O 3.52Å; C332-P426 WeakPolarHBondContact CA-O 3.48Å; C332-P426 HydrophobicContact CB-CG 4.32Å; C332-P426 WeakPolarHBondContact CB-O 3.42Å; I333-P426 PolarHBondContact N-O 2.89Å
427	R	97	Very high	94.4	Very high	39 Å²	39	62 Å²	62	15%	0.147	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-72.6	139.1	172.8	-64.7	-175.4	-70.7	167.4	2	110.3	E293 I333 P335 Y350 E429 F430	E293-R427 IonicContact OE1-NH1 3.87Å; E293-R427 IonicContact OE2-CZ 3Å; E293-R427 IonicContact OE2-NH1 2.81Å; E293-R427 PolarHBondContact OE2-NH1 2.04Å; E293-R427 IonicContact OE2-NH2 2.85Å; E293-R427 PolarHBondContact OE2-NH2 2.88Å; I333-R427 CarbonylContact O-C 3.57Å; I333-R427 WeakPolarHBondContact O-CA 3.39Å; P335-R427 HydrophobicContact CG-CG 3.68Å; Y350-R427 HydrophobicContact CD1-CG 3.76Å; Y350-R427 HydrophobicContact CE1-CG 3.95Å; Y350-R427 WeakPolarHBondContact O-CD 3.44Å; R427-E429 VanDerWaalsContact C-N 3.3Å; R427-F430 HydrophobicContact CB-CD1 4.21Å; R427-F430 VanDerWaalsContact CZ-CB 3.44Å; R427-F430 VanDerWaalsContact NH2-CB 3.26Å
428	C	97	Very high	94.5	Very high	22 Å²	22	58.4 Å²	58.4	15%	0.149	31%	0.305	C	S	.	.	S	Bend	trans	-69.3	-32.2	173.9	-64.9	0	0	0	0	111.8	K323 R324 C332 I333	K323-C428 CarbonylContact C-O 3.57Å; K323-C428 WeakPolarHBondContact CA-O 3.32Å; R324-C428 PolarHBondContact N-O 2.91Å; C332-C428 HydrophobicContact CB-CB 4.01Å; C332-C428 WeakPolarHBondContact CB-SG 3.06Å; C332-C428 PolarHBondContact O-SG 3.26Å; C332-C428 WeakPolarHBondContact SG-CA 3.42Å; C332-C428 WeakPolarHBondContact SG-CB 3.46Å; C332-C428 CovalentContact SG-SG 2.05Å; C332-C428 PolarHBondContact SG-SG 2.93Å; I333-C428 PolarHBondContact N-SG 3.05Å; I333-C428 VanDerWaalsContact N-SG 3.44Å; I333-C428 PolarHBondContact O-N 3.21Å
429	E	96.1	Very high	94.6	Very high	79 Å²	79	55.8 Å²	55.8	37%	0.369	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.7	-179.9	-178.4	157.4	-116.3	0	0	111	R321 W322 K323 R427	R321-E429 IonicContact CZ-OE1 2.68Å; R321-E429 IonicContact NE-OE1 3.29Å; R321-E429 PolarHBondContact NE-OE1 3.48Å; R321-E429 IonicContact NH2-OE1 2.64Å; R321-E429 PolarHBondContact NH2-OE1 3.29Å; R321-E429 IonicContact NH2-OE2 3.03Å; R321-E429 PolarHBondContact NH2-OE2 3.28Å; R321-E429 VanDerWaalsContact NH2-OE2 3.13Å; W322-E429 VanDerWaalsContact O-CA 3.29Å; W322-E429 WeakPolarHBondContact O-CA 3.5Å; K323-E429 WeakPolarHBondContact CE-OE1 3.42Å; K323-E429 WeakPolarHBondContact CG-OE1 3.11Å; R427-E429 VanDerWaalsContact C-N 3.3Å
430	F	95.4	Very high	94.5	Very high	18 Å²	18	58.7 Å²	58.7	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	162.2	175.5	61.7	-82.1	0	0	0	111.2	W322 R324 R427	W322-F430 HydrophobicContact CB-CD1 3.92Å; W322-F430 HydrophobicContact CB-CD2 4.25Å; W322-F430 HydrophobicContact CB-CE1 3.54Å; W322-F430 HydrophobicContact CB-CE2 3.91Å; W322-F430 HydrophobicContact CB-CG 4.25Å; W322-F430 HydrophobicContact CB-CZ 3.52Å; W322-F430 AromaticContact CD1-CE2 3.34Å; W322-F430 AromaticContact CD1-CZ 3.58Å; W322-F430 HydrophobicContact CD2-CZ 4.16Å; W322-F430 HydrophobicContact CG-CD2 4.43Å; W322-F430 HydrophobicContact CG-CE1 4.04Å; W322-F430 AromaticContact CG-CE2 3.73Å; W322-F430 HydrophobicContact CG-CE2 3.73Å; W322-F430 AromaticContact CG-CZ 3.48Å; W322-F430 HydrophobicContact CG-CZ 3.48Å; W322-F430 VanDerWaalsContact CG-CZ 3.48Å; W322-F430 PolarHBondContact N-O 2.78Å; W322-F430 PolarHBondContact O-N 3.4Å; R324-F430 HydrophobicContact CG-CE1 4.35Å; R427-F430 HydrophobicContact CB-CD1 4.21Å; R427-F430 VanDerWaalsContact CZ-CB 3.44Å; R427-F430 VanDerWaalsContact NH2-CB 3.26Å
431	Y	94.7	Very high	94.4	Very high	32 Å²	32	61.1 Å²	61.1	13%	0.125	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.2	172.8	-69.2	-91.4	0	0	0	111.6	P122 E293 I320 R321 T544	P122-Y431 HydrophobicContact CG-CD2 4.29Å; P122-Y431 HydrophobicContact CG-CE2 3.96Å; E293-Y431 WeakPolarHBondContact CG-O 3.24Å; E293-Y431 PolarHBondContact OE1-N 3.01Å; I320-Y431 CarbonylContact O-C 3.58Å; I320-Y431 WeakPolarHBondContact O-CA 3.11Å; R321-Y431 HydrophobicContact CB-CD1 4.1Å; R321-Y431 HydrophobicContact CB-CE1 3.77Å; R321-Y431 HydrophobicContact CG-CD1 4.49Å; R321-Y431 HydrophobicContact CG-CE1 3.98Å; Y431-T544 HydrophobicContact CE1-CG2 4.44Å
432	D	93.8	Very high	94.2	Very high	70 Å²	70	61.1 Å²	61.1	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.5	161.7	-72.9	-25.9	0	0	0	109.2	I320 W322	I320-D432 HydrophobicContact CB-CB 4.26Å; I320-D432 PolarHBondContact N-O 3.34Å; I320-D432 PolarHBondContact O-N 3.29Å; W322-D432 VanDerWaalsContact CD1-OD2 3.25Å; W322-D432 PolarHBondContact NE1-OD2 3.42Å
433	Y	93.7	Very high	93.9	Very high	29 Å²	29	63.5 Å²	63.5	11%	0.114	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	89.4	-178.2	-56.2	-77.2	0	0	0	109.7	P124 I291 E293 Y317 S435	P124-Y433 HydrophobicContact CB-CD1 4Å; P124-Y433 HydrophobicContact CB-CD2 4.08Å; P124-Y433 HydrophobicContact CB-CE1 3.71Å; P124-Y433 HydrophobicContact CB-CE2 3.8Å; P124-Y433 HydrophobicContact CB-CG 4.17Å; P124-Y433 HydrophobicContact CG-CD1 4.11Å; P124-Y433 HydrophobicContact CG-CE1 4.08Å; I291-Y433 HydrophobicContact CG2-CD2 4.02Å; I291-Y433 HydrophobicContact CG2-CG 3.85Å; E293-Y433 HydrophobicContact CB-CE2 4.46Å; E293-Y433 HydrophobicContact CG-CE2 3.74Å; Y317-Y433 AromaticContact CD2-CD1 3.8Å; Y317-Y433 HydrophobicContact CD2-CD1 3.8Å; Y317-Y433 HydrophobicContact CE2-CD1 4.05Å; Y317-Y433 HydrophobicContact CE2-CE1 4.42Å; Y433-S435 PolarHBondContact O-N 2.93Å
434	E	92.6	Very high	93.5	Very high	118 Å²	118	58.9 Å²	58.9	55%	0.551	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.2	176.4	-170.7	173.9	164.4	0	0	109.2	Y317 E318 I320	Y317-E434 CarbonylContact C-O 3.51Å; Y317-E434 WeakPolarHBondContact CA-O 3.48Å; E318-E434 PolarHBondContact N-O 3.21Å; E318-E434 PolarHBondContact O-N 2.97Å; I320-E434 HydrophobicContact CD1-CB 4.06Å
435	S	93.1	Very high	93	Very high	44 Å²	44	64.7 Å²	64.7	31%	0.308	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.7	-170.4	59.7	0	0	0	0	112.5	I305 N316 Y433	I305-S435 VanDerWaalsContact CD1-OG 3.31Å; I305-S435 WeakPolarHBondContact CD1-OG 3.11Å; N316-S435 CarbonylContact O-C 3.14Å; N316-S435 WeakPolarHBondContact O-CA 3.32Å; Y433-S435 PolarHBondContact O-N 2.93Å
436	T	94.2	Very high	92.4	Very high	62 Å²	62	64.7 Å²	64.7	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.2	170.2	53.2	0	0	0	0	109.9	N316 K540	N316-T436 PolarHBondContact N-O 3.31Å; N316-T436 PolarHBondContact O-N 2.91Å; N316-T436 PolarHBondContact O-OG1 3.17Å; T436-K540 WeakPolarHBondContact OG1-CE 3.3Å; T436-K540 PolarHBondContact OG1-NZ 3.12Å
437	T	94.1	Very high	91.9	Very high	80 Å²	80	67 Å²	67	49%	0.491	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139.5	-179.4	53.9	0	0	0	0	111.8	I305 E314 I315	I305-T437 HydrophobicContact CD1-CG2 4.42Å; I305-T437 HydrophobicContact CG2-CG2 3.36Å; E314-T437 CarbonylContact O-C 3.38Å; E314-T437 WeakPolarHBondContact O-CA 3.07Å; I315-T437 HydrophobicContact CG1-CG2 4.41Å
438	S	95.6	Very high	91.6	Very high	51 Å²	51	69.3 Å²	69.3	36%	0.357	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.3	168.1	52.9	0	0	0	0	109.5	E314	E314-S438 WeakPolarHBondContact CB-OG 3.42Å; E314-S438 PolarHBondContact N-O 2.72Å; E314-S438 PolarHBondContact O-N 2.88Å; E314-S438 PolarHBondContact O-OG 3.36Å
439	V	95.6	Very high	91.1	Very high	67 Å²	67	68.9 Å²	68.9	41%	0.406	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137	-174.2	-174.3	0	0	0	0	109.8	E308 K311 L312 N313	E308-V439 HydrophobicContact CB-CG1 4.34Å; K311-V439 HydrophobicContact CB-CG1 3.81Å; K311-V439 HydrophobicContact CD-CG1 3.59Å; K311-V439 HydrophobicContact CG-CG1 4.36Å; L312-V439 WeakPolarHBondContact O-CA 3.41Å; N313-V439 WeakPolarHBondContact OD1-CG2 3.32Å
440	T	94.4	Very high	90.7	Very high	84 Å²	84	65.1 Å²	65.1	52%	0.515	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.2	175.7	-169.4	0	0	0	0	111.4	K311 L312 W442	K311-T440 WeakPolarHBondContact CB-O 3.46Å; L312-T440 HydrophobicContact CB-CG2 4.03Å; L312-T440 HydrophobicContact CD1-CG2 4.45Å; L312-T440 HydrophobicContact CD2-CG2 4.2Å; L312-T440 HydrophobicContact CG-CG2 4.45Å; L312-T440 PolarHBondContact N-O 3.01Å; L312-T440 PolarHBondContact O-N 3.18Å; T440-W442 PolarHBondContact O-N 2.94Å
441	K	91.1	Very high	90.5	Very high	124 Å²	124	64.5 Å²	64.5	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.6	175.2	-175.7	172.9	-179	178.1	0	109.7	D528	K441-D528 VanDerWaalsContact CE-OD1 3.27Å; K441-D528 WeakPolarHBondContact CE-OD1 3.48Å; K441-D528 IonicContact NZ-OD1 3.87Å; K441-D528 PolarHBondContact NZ-OD1 3.33Å
442	W	87.1	Confident	90.3	Very high	34 Å²	34	65.7 Å²	65.7	13%	0.129	33%	0.328	C	S	.	.			trans	-81.1	127.9	169.2	-169.1	41.1	0	0	0	109.3	I260 L312 T440 A444 L527 F532 Y534	I260-W442 HydrophobicContact CD1-CH2 3.47Å; I260-W442 VanDerWaalsContact CD1-CH2 3.47Å; I260-W442 HydrophobicContact CD1-CZ2 3.68Å; I260-W442 HydrophobicContact CG1-CH2 3.77Å; I260-W442 HydrophobicContact CG1-CZ2 4.1Å; I260-W442 HydrophobicContact CG2-CH2 4.06Å; I260-W442 HydrophobicContact CG2-CZ3 4.3Å; L312-W442 HydrophobicContact CB-CB 4.06Å; T440-W442 PolarHBondContact O-N 2.94Å; W442-A444 HydrophobicContact CD2-CB 3.7Å; W442-A444 HydrophobicContact CE3-CB 3.99Å; W442-A444 HydrophobicContact CG-CB 4.36Å; W442-A444 HydrophobicContact CH2-CB 3.85Å; W442-A444 HydrophobicContact CZ2-CB 3.44Å; W442-A444 VanDerWaalsContact CZ2-CB 3.44Å; W442-A444 HydrophobicContact CZ3-CB 4.12Å; W442-L527 HydrophobicContact CH2-CD2 4.41Å; W442-L527 HydrophobicContact CZ3-CD2 3.81Å; W442-F532 HydrophobicContact CD2-CE2 4.24Å; W442-F532 AromaticContact CE3-CD2 3.69Å; W442-F532 HydrophobicContact CE3-CD2 3.69Å; W442-F532 AromaticContact CE3-CE2 3.13Å; W442-F532 HydrophobicContact CE3-CE2 3.13Å; W442-F532 AromaticContact CE3-CZ 3.67Å; W442-F532 HydrophobicContact CE3-CZ 3.67Å; W442-F532 AromaticContact CZ3-CD2 3.6Å; W442-F532 HydrophobicContact CZ3-CD2 3.6Å; W442-F532 AromaticContact CZ3-CE2 3.55Å; W442-F532 HydrophobicContact CZ3-CE2 3.55Å; W442-F532 HydrophobicContact CZ3-CG 4.3Å; W442-F532 HydrophobicContact CZ3-CZ 4.14Å; W442-Y534 AromaticContact CD1-CD1 3.51Å; W442-Y534 HydrophobicContact CD2-CD1 4.01Å; W442-Y534 HydrophobicContact CD2-CG 4.21Å; W442-Y534 AromaticContact CE2-CD1 3.7Å; W442-Y534 AromaticContact CG-CD1 3.88Å; W442-Y534 HydrophobicContact CG-CD1 3.88Å; W442-Y534 HydrophobicContact CG-CG 4.43Å; W442-Y534 HydrophobicContact CZ2-CD1 4.39Å; W442-Y534 HydrophobicContact CZ2-CG 4.37Å; W442-Y534 AromaticContact NE1-CD1 3.41Å; W442-Y534 AromaticContact NE1-CE1 3.67Å
443	R	84.8	Confident	90.1	Very high	197 Å²	197	63.3 Å²	63.3	74%	0.743	31%	0.314	S	S	*	.			trans	-111.8	56.1	-178	-65	-176.9	68	159.2	1.4	110.8
444	A	83.5	Confident	89.9	Confident	19 Å²	19	61.9 Å²	61.9	16%	0.157	31%	0.309	C	S	.	.			trans	-93.6	148.6	177.2	0	0	0	0	0	111.4	W442 L527	W442-A444 HydrophobicContact CD2-CB 3.7Å; W442-A444 HydrophobicContact CE3-CB 3.99Å; W442-A444 HydrophobicContact CG-CB 4.36Å; W442-A444 HydrophobicContact CH2-CB 3.85Å; W442-A444 HydrophobicContact CZ2-CB 3.44Å; W442-A444 VanDerWaalsContact CZ2-CB 3.44Å; W442-A444 HydrophobicContact CZ3-CB 4.12Å; A444-L527 HydrophobicContact CB-CD1 3.88Å
445	Y	85.7	Confident	89.9	Confident	122 Å²	122	59 Å²	59	48%	0.478	30%	0.295	S	S	.	.			trans	-104.3	141.3	174.3	-63.2	-80.2	0	0	0	111.2	W447 Q448 L449	Y445-W447 VanDerWaalsContact CB-CD1 3.44Å; Y445-W447 AromaticContact CG-NE1 3.61Å; Y445-W447 PolarHBondContact O-N 3.05Å; Y445-W447 VanDerWaalsContact O-N 3.13Å; Y445-Q448 VanDerWaalsContact N-OE1 3.15Å; Y445-Q448 WeakPolarHBondContact O-CB 3.4Å; Y445-Q448 PolarHBondContact O-N 2.74Å; Y445-L449 PolarHBondContact O-N 2.93Å
446	P	83.9	Confident	89.7	Confident	44 Å²	44	57.7 Å²	57.7	29%	0.286	29%	0.285	S	S	.	.	H	α-helix	trans	-54.6	-35.5	-179.8	-28.8	35.2	0	0	0	113.7	Q448 L449 Y450 L495 L527	P446-Q448 PolarHBondContact O-N 2.88Å; P446-L449 PolarHBondContact O-N 3.06Å; P446-Y450 PolarHBondContact O-N 3.46Å; P446-L495 HydrophobicContact CB-CD1 4.25Å; P446-L527 HydrophobicContact CG-CD1 4.22Å; P446-L527 HydrophobicContact CG-CG 4.23Å
447	W	87.1	Confident	89.5	Confident	73 Å²	73	56.7 Å²	56.7	28%	0.277	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-36.8	178.6	68.4	-100.4	0	0	0	113.2	Y445 Y450 W451 L492 T493 L495	Y445-W447 VanDerWaalsContact CB-CD1 3.44Å; Y445-W447 AromaticContact CG-NE1 3.61Å; Y445-W447 PolarHBondContact O-N 3.05Å; Y445-W447 VanDerWaalsContact O-N 3.13Å; W447-Y450 PolarHBondContact O-N 3.34Å; W447-W451 PolarHBondContact O-N 2.91Å; W447-L492 WeakPolarHBondContact CB-O 3.08Å; W447-L492 HydrophobicContact CE3-CB 4.29Å; W447-L492 HydrophobicContact CZ3-CB 4.46Å; W447-T493 HydrophobicContact CZ2-CG2 4.47Å; W447-L495 HydrophobicContact CB-CD2 4.07Å; W447-L495 HydrophobicContact CB-CG 4.15Å
448	Q	89.7	Confident	89.4	Confident	87 Å²	87	52.9 Å²	52.9	41%	0.407	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-45.2	177.6	-67.1	175.9	-52.4	0	0	110.5	Y445 P446 L452	Y445-Q448 VanDerWaalsContact N-OE1 3.15Å; Y445-Q448 WeakPolarHBondContact O-CB 3.4Å; Y445-Q448 PolarHBondContact O-N 2.74Å; P446-Q448 PolarHBondContact O-N 2.88Å; Q448-L452 VanDerWaalsContact O-CB 3.26Å; Q448-L452 WeakPolarHBondContact O-CB 3.2Å; Q448-L452 PolarHBondContact O-N 3.1Å
449	L	87.8	Confident	89.1	Confident	13 Å²	13	52.8 Å²	52.8	7%	0.068	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-42.1	-179.9	-167.5	66	0	0	0	111.5	N206 I260 Y445 P446 L452 R453 L525	N206-L449 HydrophobicContact CB-CD1 4.25Å; N206-L449 VanDerWaalsContact OD1-CD1 3.3Å; N206-L449 WeakPolarHBondContact OD1-CD1 3.29Å; I260-L449 HydrophobicContact CD1-CD1 3.83Å; Y445-L449 PolarHBondContact O-N 2.93Å; P446-L449 PolarHBondContact O-N 3.06Å; L449-L452 PolarHBondContact O-N 3.38Å; L449-R453 WeakPolarHBondContact O-CG 3.22Å; L449-R453 PolarHBondContact O-N 3.01Å; L449-R453 VanDerWaalsContact O-N 3.16Å; L449-L525 HydrophobicContact CD2-CD2 3.81Å
450	Y	87.7	Confident	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-54.2	177.4	176.6	-110	0	0	0	112.5	P446 W447 L452 R453 V454 L495 P496 P518 P521	P446-Y450 PolarHBondContact O-N 3.46Å; W447-Y450 PolarHBondContact O-N 3.34Å; Y450-L452 VanDerWaalsContact C-N 3.27Å; Y450-L452 PolarHBondContact O-N 3.49Å; Y450-R453 WeakPolarHBondContact O-CB 3.4Å; Y450-R453 PolarHBondContact O-N 3.3Å; Y450-V454 HydrophobicContact CD1-CG2 4.36Å; Y450-V454 HydrophobicContact CE1-CG2 3.97Å; Y450-V454 HydrophobicContact CE2-CG2 4.3Å; Y450-V454 PolarHBondContact O-N 2.05Å; Y450-L495 HydrophobicContact CD1-CD2 3.32Å; Y450-L495 HydrophobicContact CE1-CD2 4.12Å; Y450-L495 HydrophobicContact CG-CD2 3.58Å; Y450-P496 HydrophobicContact CE1-CG 3.97Å; Y450-P518 HydrophobicContact CD2-CG 4.37Å; Y450-P518 HydrophobicContact CE2-CB 4.35Å; Y450-P518 HydrophobicContact CE2-CG 4.1Å; Y450-P521 VanDerWaalsContact CD2-CD 3.44Å; Y450-P521 HydrophobicContact CD2-CG 3.95Å; Y450-P521 HydrophobicContact CG-CG 4.33Å
451	W	90.5	Very high	88.4	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-27.7	-177.2	-68.9	118.8	0	0	0	112.5	W447 R453 V454 Q455 Y485 Y486 Y489 L492	W447-W451 PolarHBondContact O-N 2.91Å; W451-R453 VanDerWaalsContact C-N 3.34Å; W451-V454 HydrophobicContact CE3-CB 4.04Å; W451-V454 HydrophobicContact CE3-CG1 4.18Å; W451-V454 HydrophobicContact CE3-CG2 3.91Å; W451-V454 HydrophobicContact CZ3-CG1 4.33Å; W451-V454 HydrophobicContact CZ3-CG2 4.28Å; W451-V454 PolarHBondContact O-N 2.91Å; W451-Q455 WeakPolarHBondContact O-CG 3.43Å; W451-Q455 PolarHBondContact O-N 2.86Å; W451-Q455 PolarHBondContact O-NE2 2.89Å; W451-Y485 AromaticContact CH2-CE1 3.83Å; W451-Y485 HydrophobicContact CH2-CE1 3.83Å; W451-Y485 HydrophobicContact CZ3-CD1 4.26Å; W451-Y485 AromaticContact CZ3-CE1 3.89Å; W451-Y485 HydrophobicContact CZ3-CE1 3.89Å; W451-Y486 HydrophobicContact CB-CD2 4.34Å; W451-Y486 HydrophobicContact CB-CE2 3.9Å; W451-Y486 AromaticContact CD2-CD2 3.92Å; W451-Y486 HydrophobicContact CD2-CD2 3.92Å; W451-Y486 HydrophobicContact CD2-CE2 4.17Å; W451-Y486 AromaticContact CE3-CD2 3.38Å; W451-Y486 HydrophobicContact CE3-CD2 3.38Å; W451-Y486 HydrophobicContact CE3-CE2 4.07Å; W451-Y486 HydrophobicContact CE3-CG 4.32Å; W451-Y486 HydrophobicContact CG-CD2 4.35Å; W451-Y486 HydrophobicContact CG-CE2 4.14Å; W451-Y486 AromaticContact CZ3-CD2 3.89Å; W451-Y486 HydrophobicContact CZ3-CD2 3.89Å; W451-Y489 AromaticContact CH2-CD1 3.92Å; W451-Y489 HydrophobicContact CH2-CD1 3.92Å; W451-Y489 AromaticContact CH2-CD2 3.68Å; W451-Y489 HydrophobicContact CH2-CD2 3.68Å; W451-Y489 HydrophobicContact CH2-CE1 4.28Å; W451-Y489 HydrophobicContact CH2-CE2 4.07Å; W451-Y489 AromaticContact CH2-CG 3.59Å; W451-Y489 HydrophobicContact CH2-CG 3.59Å; W451-Y489 AromaticContact CZ2-CD1 3.51Å; W451-Y489 HydrophobicContact CZ2-CD1 3.51Å; W451-Y489 HydrophobicContact CZ2-CD2 4.08Å; W451-Y489 AromaticContact CZ2-CE1 3.68Å; W451-Y489 HydrophobicContact CZ2-CE1 3.68Å; W451-Y489 HydrophobicContact CZ2-CE2 4.24Å; W451-Y489 AromaticContact CZ2-CG 3.7Å; W451-Y489 HydrophobicContact CZ2-CG 3.7Å; W451-L492 HydrophobicContact CD2-CD2 3.87Å; W451-L492 HydrophobicContact CE3-CD2 4.45Å; W451-L492 HydrophobicContact CG-CD2 4.13Å; W451-L492 HydrophobicContact CZ2-CD2 3.98Å; W451-L492 PolarHBondContact NE1-O 3.44Å
452	L	90.6	Very high	88.4	Confident	57 Å²	57	46.5 Å²	46.5	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-41.2	169.6	-178.6	63.5	0	0	0	111.6	F217 Q448 L449 Y450 Q455 N456	F217-L452 HydrophobicContact CD1-CD2 4.36Å; Q448-L452 VanDerWaalsContact O-CB 3.26Å; Q448-L452 WeakPolarHBondContact O-CB 3.2Å; Q448-L452 PolarHBondContact O-N 3.1Å; L449-L452 PolarHBondContact O-N 3.38Å; Y450-L452 VanDerWaalsContact C-N 3.27Å; Y450-L452 PolarHBondContact O-N 3.49Å; L452-Q455 PolarHBondContact O-N 3.17Å; L452-N456 PolarHBondContact O-N 3.1Å
453	R	89.8	Confident	88.5	Confident	20 Å²	20	49.2 Å²	49.2	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-43.5	175.3	-65.9	174.8	171.4	-166.9	-7.4	111.8	F205 N206 D219 L449 Y450 W451 Q455 N456 Q457 P518	F205-R453 VanDerWaalsContact CB-NH2 3.29Å; F205-R453 PolarHBondContact O-NH2 3.27Å; N206-R453 PolarHBondContact OD1-NE 2.76Å; N206-R453 PolarHBondContact OD1-NH2 2.87Å; D219-R453 HydrophobicContact CB-CB 4.24Å; D219-R453 HydrophobicContact CB-CG 3.77Å; L449-R453 WeakPolarHBondContact O-CG 3.22Å; L449-R453 PolarHBondContact O-N 3.01Å; L449-R453 VanDerWaalsContact O-N 3.16Å; Y450-R453 WeakPolarHBondContact O-CB 3.4Å; Y450-R453 PolarHBondContact O-N 3.3Å; W451-R453 VanDerWaalsContact C-N 3.34Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 2.82Å; R453-N456 PolarHBondContact O-N 3.35Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 WeakPolarHBondContact O-CG 3.26Å; R453-Q457 PolarHBondContact O-N 3.46Å; R453-P518 HydrophobicContact CB-CB 4.19Å; R453-P518 HydrophobicContact CB-CG 3.69Å
454	V	90.1	Very high	88.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-47.7	175.9	174.6	0	0	0	0	110.5	Y450 W451 Q457 A458 L482 L517 P518	Y450-V454 HydrophobicContact CD1-CG2 4.36Å; Y450-V454 HydrophobicContact CE1-CG2 3.97Å; Y450-V454 HydrophobicContact CE2-CG2 4.3Å; Y450-V454 PolarHBondContact O-N 2.05Å; W451-V454 HydrophobicContact CE3-CB 4.04Å; W451-V454 HydrophobicContact CE3-CG1 4.18Å; W451-V454 HydrophobicContact CE3-CG2 3.91Å; W451-V454 HydrophobicContact CZ3-CG1 4.33Å; W451-V454 HydrophobicContact CZ3-CG2 4.28Å; W451-V454 PolarHBondContact O-N 2.91Å; V454-Q457 PolarHBondContact O-N 3.28Å; V454-A458 VanDerWaalsContact O-CB 3.26Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.08Å; V454-L482 HydrophobicContact CG1-CD1 3.89Å; V454-L482 HydrophobicContact CG1-CG 4.08Å; V454-L517 HydrophobicContact CG2-CD2 4.32Å; V454-P518 HydrophobicContact CG2-CG 3.76Å
455	Q	91.4	Very high	89	Confident	56 Å²	56	45.5 Å²	45.5	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-43.4	176.6	-74.1	177.2	69.7	0	0	112.3	W451 L452 R453 A458 T459 W483 Y486	W451-Q455 WeakPolarHBondContact O-CG 3.43Å; W451-Q455 PolarHBondContact O-N 2.86Å; W451-Q455 PolarHBondContact O-NE2 2.89Å; L452-Q455 PolarHBondContact O-N 3.17Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 2.82Å; Q455-A458 PolarHBondContact O-N 3.12Å; Q455-T459 WeakPolarHBondContact O-CB 3.29Å; Q455-T459 PolarHBondContact O-N 3.03Å; Q455-T459 PolarHBondContact O-OG1 3.46Å; Q455-W483 HydrophobicContact CB-CH2 4.02Å; Q455-W483 HydrophobicContact CG-CH2 3.83Å; Q455-W483 HydrophobicContact CG-CZ3 3.88Å; Q455-Y486 VanDerWaalsContact CD-CE1 3.49Å; Q455-Y486 HydrophobicContact CG-CD1 3.77Å; Q455-Y486 HydrophobicContact CG-CE1 3.54Å; Q455-Y486 HydrophobicContact CG-CE2 4.47Å; Q455-Y486 HydrophobicContact CG-CG 4.33Å; Q455-Y486 VanDerWaalsContact NE2-CZ 3.28Å; Q455-Y486 PolarHBondContact NE2-OH 3.34Å; Q455-Y486 VanDerWaalsContact NE2-OH 3.08Å
456	N	90.2	Very high	89.2	Confident	18 Å²	18	45.7 Å²	45.7	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-51.7	178.1	-173.4	37.8	0	0	0	111.6	F217 E218 D219 L452 R453 A458 T459 Q460	F217-N456 VanDerWaalsContact O-CG 3.31Å; F217-N456 PolarHBondContact O-ND2 3.38Å; F217-N456 PolarHBondContact O-OD1 3.23Å; F217-N456 VanDerWaalsContact O-OD1 3.07Å; E218-N456 WeakPolarHBondContact CA-ND2 3.21Å; E218-N456 PolarHBondContact OE2-ND2 3.25Å; D219-N456 PolarHBondContact N-ND2 3.19Å; D219-N456 PolarHBondContact OD1-ND2 3.01Å; L452-N456 PolarHBondContact O-N 3.1Å; R453-N456 PolarHBondContact O-N 3.35Å; N456-A458 VanDerWaalsContact C-N 3.32Å; N456-A458 PolarHBondContact O-N 3.25Å; N456-T459 WeakPolarHBondContact O-CB 3.39Å; N456-T459 PolarHBondContact O-N 3.45Å; N456-T459 VanDerWaalsContact O-N 3.12Å; N456-Q460 WeakPolarHBondContact O-CB 3.44Å; N456-Q460 WeakPolarHBondContact O-CG 3.39Å; N456-Q460 PolarHBondContact O-N 3.31Å
457	Q	89.2	Confident	89.4	Confident	40 Å²	40	50.9 Å²	50.9	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-40	-179.6	-70.4	173.3	-19.4	0	0	112.1	D219 R453 V454 S461 L482 L516	D219-Q457 WeakPolarHBondContact OD2-CG 3.09Å; D219-Q457 PolarHBondContact OD2-NE2 3.42Å; R453-Q457 WeakPolarHBondContact O-CB 3.39Å; R453-Q457 WeakPolarHBondContact O-CG 3.26Å; R453-Q457 PolarHBondContact O-N 3.46Å; V454-Q457 PolarHBondContact O-N 3.28Å; Q457-S461 WeakPolarHBondContact O-CB 3.45Å; Q457-S461 PolarHBondContact O-N 3.24Å; Q457-L482 HydrophobicContact CB-CD2 4.48Å; Q457-L516 PolarHBondContact OE1-O 3.12Å
458	A	90.9	Very high	89.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.4	0	0	0	0	0	111.5	V454 Q455 N456 L462 L482 W483	V454-A458 VanDerWaalsContact O-CB 3.26Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.08Å; Q455-A458 PolarHBondContact O-N 3.12Å; N456-A458 VanDerWaalsContact C-N 3.32Å; N456-A458 PolarHBondContact O-N 3.25Å; A458-L462 VanDerWaalsContact O-CB 3.23Å; A458-L462 WeakPolarHBondContact O-CB 3.25Å; A458-L462 PolarHBondContact O-N 3.1Å; A458-L482 HydrophobicContact CB-CB 4.18Å; A458-L482 HydrophobicContact CB-CD2 3.76Å; A458-L482 HydrophobicContact CB-CG 3.89Å; A458-W483 HydrophobicContact CB-CD2 4.1Å; A458-W483 HydrophobicContact CB-CG 3.92Å
459	T	90.1	Very high	89.6	Confident	49 Å²	49	55.1 Å²	55.1	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-51.9	177.3	-55.3	0	0	0	0	111.7	Q455 N456 S461 L462 L463 W483	Q455-T459 WeakPolarHBondContact O-CB 3.29Å; Q455-T459 PolarHBondContact O-N 3.03Å; Q455-T459 PolarHBondContact O-OG1 3.46Å; N456-T459 WeakPolarHBondContact O-CB 3.39Å; N456-T459 PolarHBondContact O-N 3.45Å; N456-T459 VanDerWaalsContact O-N 3.12Å; T459-S461 VanDerWaalsContact C-N 3.34Å; T459-S461 PolarHBondContact O-N 2.96Å; T459-L462 PolarHBondContact O-N 3.16Å; T459-L463 HydrophobicContact CG2-CD1 3.88Å; T459-L463 HydrophobicContact CG2-CG 4.32Å; T459-L463 WeakPolarHBondContact O-CG 3.48Å; T459-L463 PolarHBondContact O-N 3.29Å; T459-W483 VanDerWaalsContact OG1-CZ2 3.31Å; T459-W483 WeakPolarHBondContact OG1-CZ2 3.48Å
460	Q	88	Confident	89.6	Confident	74 Å²	74	57.9 Å²	57.9	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-44.1	-179.2	-72.8	-64.6	-10.5	0	0	111.8	E218 N456 L462 N464	E218-Q460 PolarHBondContact OE1-NE2 3.17Å; N456-Q460 WeakPolarHBondContact O-CB 3.44Å; N456-Q460 WeakPolarHBondContact O-CG 3.39Å; N456-Q460 PolarHBondContact O-N 3.31Å; Q460-L462 VanDerWaalsContact C-N 3.35Å; Q460-L462 PolarHBondContact O-N 3.11Å; Q460-N464 VanDerWaalsContact O-CB 3.25Å; Q460-N464 WeakPolarHBondContact O-CB 3.38Å; Q460-N464 PolarHBondContact O-N 3.4Å
461	S	88.1	Confident	89.5	Confident	30 Å²	30	65.4 Å²	65.4	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-40.4	176.9	-168.6	0	0	0	0	111.8	Q457 T459 Y465	Q457-S461 WeakPolarHBondContact O-CB 3.45Å; Q457-S461 PolarHBondContact O-N 3.24Å; T459-S461 VanDerWaalsContact C-N 3.34Å; T459-S461 PolarHBondContact O-N 2.96Å; S461-Y465 WeakPolarHBondContact O-CB 3.36Å; S461-Y465 PolarHBondContact O-N 2.83Å
462	L	90.6	Very high	89.3	Confident	39 Å²	39	70.3 Å²	70.3	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-44.6	179.1	-168.1	68.5	0	0	0	112.3	A458 T459 Q460 Y465 Y466 L474 A479	A458-L462 VanDerWaalsContact O-CB 3.23Å; A458-L462 WeakPolarHBondContact O-CB 3.25Å; A458-L462 PolarHBondContact O-N 3.1Å; T459-L462 PolarHBondContact O-N 3.16Å; Q460-L462 VanDerWaalsContact C-N 3.35Å; Q460-L462 PolarHBondContact O-N 3.11Å; L462-Y465 PolarHBondContact O-N 2.88Å; L462-Y466 WeakPolarHBondContact O-CB 3.47Å; L462-Y466 PolarHBondContact O-N 3.49Å; L462-L474 HydrophobicContact CD1-CB 4.42Å; L462-L474 HydrophobicContact CD1-CD2 3.86Å; L462-A479 HydrophobicContact CB-CB 3.88Å; L462-A479 HydrophobicContact CD1-CB 3.99Å
463	L	89	Confident	89.1	Confident	90 Å²	90	72.5 Å²	72.5	47%	0.471	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-47.5	177.6	-72.1	174.3	0	0	0	111.3	T459 Y465 Y466 E467	T459-L463 HydrophobicContact CG2-CD1 3.88Å; T459-L463 HydrophobicContact CG2-CG 4.32Å; T459-L463 WeakPolarHBondContact O-CG 3.48Å; T459-L463 PolarHBondContact O-N 3.29Å; L463-Y465 VanDerWaalsContact C-N 3.27Å; L463-Y465 PolarHBondContact O-N 2.89Å; L463-Y466 PolarHBondContact O-N 3.19Å; L463-E467 WeakPolarHBondContact O-CG 3.25Å; L463-E467 PolarHBondContact O-N 3.31Å
464	N	89	Confident	89	Confident	76 Å²	76	74.3 Å²	74.3	41%	0.406	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-36.1	176.1	-174.9	3	0	0	0	112.1	Q460 K468	Q460-N464 VanDerWaalsContact O-CB 3.25Å; Q460-N464 WeakPolarHBondContact O-CB 3.38Å; Q460-N464 PolarHBondContact O-N 3.4Å; N464-K468 WeakPolarHBondContact O-CG 3.18Å; N464-K468 PolarHBondContact O-N 3.25Å; N464-K468 WeakPolarHBondContact OD1-CE 3.16Å; N464-K468 PolarHBondContact OD1-NZ 3.47Å
465	Y	89.1	Confident	88.8	Confident	62 Å²	62	77.6 Å²	77.6	24%	0.243	38%	0.384	C	S	.	.	H	α-helix	trans	-67.7	-47.1	173.8	-176	-90.5	0	0	0	111.8	S461 L462 L463 E467 K468 Y469 H472 L474 T477	S461-Y465 WeakPolarHBondContact O-CB 3.36Å; S461-Y465 PolarHBondContact O-N 2.83Å; L462-Y465 PolarHBondContact O-N 2.88Å; L463-Y465 VanDerWaalsContact C-N 3.27Å; L463-Y465 PolarHBondContact O-N 2.89Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; Y465-E467 PolarHBondContact O-N 3.2Å; Y465-K468 PolarHBondContact O-N 3.21Å; Y465-Y469 HydrophobicContact CD2-CD2 4.03Å; Y465-Y469 AromaticContact CE2-CD2 3.76Å; Y465-Y469 HydrophobicContact CE2-CD2 3.76Å; Y465-Y469 HydrophobicContact CE2-CE2 4.36Å; Y465-Y469 PolarHBondContact O-N 2.96Å; Y465-H472 HydrophobicContact CE1-CB 3.91Å; Y465-H472 WeakPolarHBondContact OH-CB 3.2Å; Y465-L474 HydrophobicContact CD1-CD2 4.25Å; Y465-T477 HydrophobicContact CD1-CG2 3.52Å; Y465-T477 HydrophobicContact CD2-CG2 3.99Å; Y465-T477 HydrophobicContact CE1-CG2 3.32Å; Y465-T477 HydrophobicContact CE2-CG2 3.83Å; Y465-T477 HydrophobicContact CG-CG2 3.84Å; Y465-T477 VanDerWaalsContact CZ-CG2 3.49Å
466	Y	89.9	Confident	88.2	Confident	127 Å²	127	82.2 Å²	82.2	50%	0.498	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-39.9	-180	-177.9	-100.8	0	0	0	112.2	L462 L463 K468 Y469 P470 L474	L462-Y466 WeakPolarHBondContact O-CB 3.47Å; L462-Y466 PolarHBondContact O-N 3.49Å; L463-Y466 PolarHBondContact O-N 3.19Å; Y466-K468 VanDerWaalsContact C-N 3.3Å; Y466-K468 PolarHBondContact O-N 3.2Å; Y466-Y469 CarbonylContact O-C 3.53Å; Y466-Y469 PolarHBondContact O-N 3.43Å; Y466-P470 VanDerWaalsContact O-CA 3.29Å; Y466-P470 WeakPolarHBondContact O-CA 3.49Å; Y466-P470 VanDerWaalsContact O-N 3.15Å; Y466-L474 HydrophobicContact CD2-CD2 4.4Å
467	E	89.6	Confident	88	Confident	153 Å²	153	81.8 Å²	81.8	72%	0.715	40%	0.403	S	S	*	.	H	α-helix	trans	-61.9	-37.1	174.7	-75.5	-178.9	174	0	0	112.7	L463 Y465	L463-E467 WeakPolarHBondContact O-CG 3.25Å; L463-E467 PolarHBondContact O-N 3.31Å; Y465-E467 VanDerWaalsContact C-N 3.34Å; Y465-E467 PolarHBondContact O-N 3.2Å
468	K	90.5	Very high	87.8	Confident	130 Å²	130	82 Å²	82	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-80.2	-34.5	178.5	-72.8	173.5	178.8	158.4	0	113.2	N464 Y465 Y466	N464-K468 WeakPolarHBondContact O-CG 3.18Å; N464-K468 PolarHBondContact O-N 3.25Å; N464-K468 WeakPolarHBondContact OD1-CE 3.16Å; N464-K468 PolarHBondContact OD1-NZ 3.47Å; Y465-K468 PolarHBondContact O-N 3.21Å; Y466-K468 VanDerWaalsContact C-N 3.3Å; Y466-K468 PolarHBondContact O-N 3.2Å
469	Y	90	Very high	87.5	Confident	118 Å²	118	82 Å²	82	46%	0.463	41%	0.41	S	S	.	.			trans	-138.4	71.1	-172.4	-56.2	-74.2	0	0	0	111.5	Y465 Y466 N471 H472	Y465-Y469 HydrophobicContact CD2-CD2 4.03Å; Y465-Y469 AromaticContact CE2-CD2 3.76Å; Y465-Y469 HydrophobicContact CE2-CD2 3.76Å; Y465-Y469 HydrophobicContact CE2-CE2 4.36Å; Y465-Y469 PolarHBondContact O-N 2.96Å; Y466-Y469 CarbonylContact O-C 3.53Å; Y466-Y469 PolarHBondContact O-N 3.43Å; Y469-N471 PolarHBondContact O-N 3.33Å; Y469-N471 VanDerWaalsContact O-N 3.16Å; Y469-H472 PolarHBondContact O-N 2.98Å
470	P	87.2	Confident	87.5	Confident	71 Å²	71	83.2 Å²	83.2	46%	0.461	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.8	-172.2	23.4	-34.2	0	0	0	114	Y466	Y466-P470 VanDerWaalsContact O-CA 3.29Å; Y466-P470 WeakPolarHBondContact O-CA 3.49Å; Y466-P470 VanDerWaalsContact O-N 3.15Å
471	N	86.5	Confident	87.5	Confident	158 Å²	158	82.2 Å²	82.2	85%	0.845	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2.2	-176.5	-62.3	-22	0	0	0	113.8	Y469	Y469-N471 PolarHBondContact O-N 3.33Å; Y469-N471 VanDerWaalsContact O-N 3.16Å
472	H	86	Confident	87.5	Confident	108 Å²	108	80.8 Å²	80.8	50%	0.5	40%	0.395	S	S	.	.	S	Bend	trans	-82.8	148	-178.8	-83.6	-118.8	0	0	0	111.8	Y465 Y469 L474	Y465-H472 HydrophobicContact CE1-CB 3.91Å; Y465-H472 WeakPolarHBondContact OH-CB 3.2Å; Y469-H472 PolarHBondContact O-N 2.98Å; H472-L474 PolarHBondContact O-N 3.44Å
473	N	86.7	Confident	87.5	Confident	102 Å²	102	81.6 Å²	81.6	55%	0.545	40%	0.396	S	S	.	.			trans	-70.7	120.1	178.3	-165.8	-7.2	0	0	0	110.9	T475	N473-T475 VanDerWaalsContact C-N 3.25Å; N473-T475 PolarHBondContact ND2-OG1 3.16Å; N473-T475 PolarHBondContact O-N 2.89Å; N473-T475 PolarHBondContact OD1-N 2.84Å; N473-T475 PolarHBondContact OD1-OG1 3.05Å
474	L	86.5	Confident	87.5	Confident	58 Å²	58	81.7 Å²	81.7	30%	0.304	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-63.9	-29.3	-175.6	-63.3	172.3	0	0	0	112.8	L462 Y465 Y466 H472 Q476 T477 F480	L462-L474 HydrophobicContact CD1-CB 4.42Å; L462-L474 HydrophobicContact CD1-CD2 3.86Å; Y465-L474 HydrophobicContact CD1-CD2 4.25Å; Y466-L474 HydrophobicContact CD2-CD2 4.4Å; H472-L474 PolarHBondContact O-N 3.44Å; L474-Q476 PolarHBondContact O-N 2.9Å; L474-Q476 VanDerWaalsContact O-N 3.12Å; L474-T477 WeakPolarHBondContact O-CB 3.09Å; L474-T477 WeakPolarHBondContact O-CG2 3.07Å; L474-T477 PolarHBondContact O-N 3.45Å; L474-T477 PolarHBondContact O-OG1 3.5Å; L474-F480 WeakPolarHBondContact O-CB 3.43Å
475	T	85.9	Confident	87.4	Confident	69 Å²	69	80.1 Å²	80.1	42%	0.423	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.9	-172.7	58.6	0	0	0	0	114.1	N473 T477 F480	N473-T475 VanDerWaalsContact C-N 3.25Å; N473-T475 PolarHBondContact ND2-OG1 3.16Å; N473-T475 PolarHBondContact O-N 2.89Å; N473-T475 PolarHBondContact OD1-N 2.84Å; N473-T475 PolarHBondContact OD1-OG1 3.05Å; T475-T477 VanDerWaalsContact C-N 3.35Å; T475-F480 HydrophobicContact CG2-CE1 4.22Å; T475-F480 HydrophobicContact CG2-CE2 4.28Å; T475-F480 HydrophobicContact CG2-CZ 4.05Å
476	Q	80.2	Confident	87.5	Confident	153 Å²	153	79 Å²	79	72%	0.715	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-86	-9.2	-179.9	-64.4	-177.1	-5.1	0	0	113.2	L474	L474-Q476 PolarHBondContact O-N 2.9Å; L474-Q476 VanDerWaalsContact O-N 3.12Å
477	T	85.1	Confident	87.6	Confident	9 Å²	9	78.5 Å²	78.5	6%	0.055	38%	0.383	C	S	.	.	S	Bend	trans	-77.8	149.2	-174.4	67.2	0	0	0	0	112	Y465 L474 T475 A479 F480 K481	Y465-T477 HydrophobicContact CD1-CG2 3.52Å; Y465-T477 HydrophobicContact CD2-CG2 3.99Å; Y465-T477 HydrophobicContact CE1-CG2 3.32Å; Y465-T477 HydrophobicContact CE2-CG2 3.83Å; Y465-T477 HydrophobicContact CG-CG2 3.84Å; Y465-T477 VanDerWaalsContact CZ-CG2 3.49Å; L474-T477 WeakPolarHBondContact O-CB 3.09Å; L474-T477 WeakPolarHBondContact O-CG2 3.07Å; L474-T477 PolarHBondContact O-N 3.45Å; L474-T477 PolarHBondContact O-OG1 3.5Å; T475-T477 VanDerWaalsContact C-N 3.35Å; T477-A479 PolarHBondContact O-N 3.06Å; T477-F480 PolarHBondContact O-N 3.14Å; T477-F480 WeakPolarHBondContact OG1-CB 3.33Å; T477-F480 PolarHBondContact OG1-N 2.92Å; T477-K481 PolarHBondContact O-N 3.28Å; T477-K481 VanDerWaalsContact O-N 3.09Å
478	S	84.2	Confident	87.8	Confident	46 Å²	46	76.8 Å²	76.8	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-30.2	171	52.1	0	0	0	0	112.1	K481 L482 I513	S478-K481 PolarHBondContact O-N 3.47Å; S478-L482 PolarHBondContact O-N 2.95Å; S478-I513 VanDerWaalsContact O-CG2 3.31Å; S478-I513 WeakPolarHBondContact O-CG2 3.35Å
479	A	85.2	Confident	87.7	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-45.1	174.7	0	0	0	0	0	112.5	L462 T477 L482 W483	L462-A479 HydrophobicContact CB-CB 3.88Å; L462-A479 HydrophobicContact CD1-CB 3.99Å; T477-A479 PolarHBondContact O-N 3.06Å; A479-L482 WeakPolarHBondContact O-CB 3.11Å; A479-L482 PolarHBondContact O-N 2.92Å; A479-W483 PolarHBondContact O-N 2.89Å; A479-W483 VanDerWaalsContact O-N 3.11Å
480	F	89.4	Confident	87.6	Confident	73 Å²	73	73 Å²	73	32%	0.32	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-41.8	175.1	-177.4	-88.4	0	0	0	111.8	L474 T475 T477 L482 W483 E484	L474-F480 WeakPolarHBondContact O-CB 3.43Å; T475-F480 HydrophobicContact CG2-CE1 4.22Å; T475-F480 HydrophobicContact CG2-CE2 4.28Å; T475-F480 HydrophobicContact CG2-CZ 4.05Å; T477-F480 PolarHBondContact O-N 3.14Å; T477-F480 WeakPolarHBondContact OG1-CB 3.33Å; T477-F480 PolarHBondContact OG1-N 2.92Å; F480-L482 PolarHBondContact O-N 3.48Å; F480-W483 WeakPolarHBondContact O-CB 3.23Å; F480-W483 PolarHBondContact O-N 3.38Å; F480-W483 VanDerWaalsContact O-N 3.13Å; F480-E484 WeakPolarHBondContact O-CB 3.39Å; F480-E484 PolarHBondContact O-N 3.21Å
481	K	88	Confident	87.8	Confident	54 Å²	54	73.2 Å²	73.2	24%	0.235	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-34.4	174	-71.7	174	175.7	170.6	0	112.5	T477 S478 Y485 D512 I513	T477-K481 PolarHBondContact O-N 3.28Å; T477-K481 VanDerWaalsContact O-N 3.09Å; S478-K481 PolarHBondContact O-N 3.47Å; K481-Y485 WeakPolarHBondContact O-CB 3.45Å; K481-Y485 PolarHBondContact O-N 3.41Å; K481-D512 HydrophobicContact CD-CB 4.25Å; K481-D512 IonicContact NZ-OD2 2.79Å; K481-D512 PolarHBondContact NZ-OD2 2.73Å; K481-I513 HydrophobicContact CB-CG2 3.63Å
482	L	88.1	Confident	88	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-70	-39.7	175.6	-175.8	61.2	0	0	0	111.8	V454 Q457 A458 S478 A479 F480 Y485 Y486 I513 L516 L517	V454-L482 HydrophobicContact CG1-CD1 3.89Å; V454-L482 HydrophobicContact CG1-CG 4.08Å; Q457-L482 HydrophobicContact CB-CD2 4.48Å; A458-L482 HydrophobicContact CB-CB 4.18Å; A458-L482 HydrophobicContact CB-CD2 3.76Å; A458-L482 HydrophobicContact CB-CG 3.89Å; S478-L482 PolarHBondContact O-N 2.95Å; A479-L482 WeakPolarHBondContact O-CB 3.11Å; A479-L482 PolarHBondContact O-N 2.92Å; F480-L482 PolarHBondContact O-N 3.48Å; L482-Y485 WeakPolarHBondContact O-CB 3.27Å; L482-Y485 PolarHBondContact O-N 3.19Å; L482-Y486 PolarHBondContact O-N 2.91Å; L482-I513 HydrophobicContact CB-CB 4.42Å; L482-I513 HydrophobicContact CB-CG2 4.22Å; L482-I513 HydrophobicContact CD1-CB 4.33Å; L482-I513 HydrophobicContact CD1-CD1 4.01Å; L482-L516 HydrophobicContact CD2-CB 3.86Å; L482-L517 HydrophobicContact CD1-CD2 3.62Å; L482-L517 HydrophobicContact CD1-CG 4.12Å
483	W	90.8	Very high	88.1	Confident	56 Å²	56	67 Å²	67	21%	0.212	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-47.6	170.9	-91.6	115.1	0	0	0	112.1	Q455 A458 T459 A479 F480 Y485 Y486 L487	Q455-W483 HydrophobicContact CB-CH2 4.02Å; Q455-W483 HydrophobicContact CG-CH2 3.83Å; Q455-W483 HydrophobicContact CG-CZ3 3.88Å; A458-W483 HydrophobicContact CB-CD2 4.1Å; A458-W483 HydrophobicContact CB-CG 3.92Å; T459-W483 VanDerWaalsContact OG1-CZ2 3.31Å; T459-W483 WeakPolarHBondContact OG1-CZ2 3.48Å; A479-W483 PolarHBondContact O-N 2.89Å; A479-W483 VanDerWaalsContact O-N 3.11Å; F480-W483 WeakPolarHBondContact O-CB 3.23Å; F480-W483 PolarHBondContact O-N 3.38Å; F480-W483 VanDerWaalsContact O-N 3.13Å; W483-Y485 VanDerWaalsContact C-N 3.29Å; W483-Y485 PolarHBondContact O-N 3.31Å; W483-Y486 AromaticContact CE3-CD1 3.87Å; W483-Y486 HydrophobicContact CE3-CD1 3.87Å; W483-Y486 AromaticContact CZ3-CD1 3.69Å; W483-Y486 HydrophobicContact CZ3-CD1 3.69Å; W483-Y486 AromaticContact CZ3-CE1 3.94Å; W483-Y486 HydrophobicContact CZ3-CE1 3.94Å; W483-Y486 PolarHBondContact O-N 2.9Å; W483-L487 HydrophobicContact CE3-CD1 4.22Å; W483-L487 HydrophobicContact CE3-CD2 4.45Å; W483-L487 HydrophobicContact CE3-CG 4.16Å; W483-L487 WeakPolarHBondContact O-CB 3.46Å; W483-L487 VanDerWaalsContact O-CG 3.26Å; W483-L487 WeakPolarHBondContact O-CG 3.44Å; W483-L487 PolarHBondContact O-N 3.32Å
484	E	90.2	Very high	88.1	Confident	91 Å²	91	69 Å²	69	43%	0.425	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-42.9	175.9	-175	179.6	-135.5	0	0	111.2	F480 Y486 L487 N488	F480-E484 WeakPolarHBondContact O-CB 3.39Å; F480-E484 PolarHBondContact O-N 3.21Å; E484-Y486 PolarHBondContact O-N 3.41Å; E484-L487 PolarHBondContact O-N 2.89Å; E484-N488 VanDerWaalsContact CG-ND2 3.27Å; E484-N488 WeakPolarHBondContact CG-ND2 3.42Å; E484-N488 VanDerWaalsContact O-CB 3.29Å; E484-N488 WeakPolarHBondContact O-CB 3.37Å; E484-N488 PolarHBondContact O-N 3.41Å; E484-N488 PolarHBondContact O-ND2 2.93Å
485	Y	87.2	Confident	88	Confident	44 Å²	44	67.8 Å²	67.8	17%	0.173	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-45.6	175.2	175.2	-100.1	0	0	0	112.4	W451 K481 L482 W483 Y489 I513 L517	W451-Y485 AromaticContact CH2-CE1 3.83Å; W451-Y485 HydrophobicContact CH2-CE1 3.83Å; W451-Y485 HydrophobicContact CZ3-CD1 4.26Å; W451-Y485 AromaticContact CZ3-CE1 3.89Å; W451-Y485 HydrophobicContact CZ3-CE1 3.89Å; K481-Y485 WeakPolarHBondContact O-CB 3.45Å; K481-Y485 PolarHBondContact O-N 3.41Å; L482-Y485 WeakPolarHBondContact O-CB 3.27Å; L482-Y485 PolarHBondContact O-N 3.19Å; W483-Y485 VanDerWaalsContact C-N 3.29Å; W483-Y485 PolarHBondContact O-N 3.31Å; Y485-Y489 HydrophobicContact CE1-CD2 4.44Å; Y485-Y489 HydrophobicContact CE2-CD2 4.26Å; Y485-Y489 AromaticContact CZ-CD2 3.96Å; Y485-Y489 WeakPolarHBondContact O-CB 3.2Å; Y485-Y489 PolarHBondContact O-N 2.95Å; Y485-Y489 WeakPolarHBondContact OH-CE2 3.42Å; Y485-I513 HydrophobicContact CD1-CD1 4.33Å; Y485-I513 HydrophobicContact CD2-CD1 4.32Å; Y485-I513 HydrophobicContact CG-CD1 3.88Å; Y485-L517 HydrophobicContact CD1-CD2 4.42Å; Y485-L517 HydrophobicContact CE1-CD2 4.22Å
486	Y	90.5	Very high	87.7	Confident	39 Å²	39	64.6 Å²	64.6	15%	0.153	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-49.9	176.7	166.3	-116.2	0	0	0	112.3	W451 Q455 L482 W483 E484 N488 Y489 L492	W451-Y486 HydrophobicContact CB-CD2 4.34Å; W451-Y486 HydrophobicContact CB-CE2 3.9Å; W451-Y486 AromaticContact CD2-CD2 3.92Å; W451-Y486 HydrophobicContact CD2-CD2 3.92Å; W451-Y486 HydrophobicContact CD2-CE2 4.17Å; W451-Y486 AromaticContact CE3-CD2 3.38Å; W451-Y486 HydrophobicContact CE3-CD2 3.38Å; W451-Y486 HydrophobicContact CE3-CE2 4.07Å; W451-Y486 HydrophobicContact CE3-CG 4.32Å; W451-Y486 HydrophobicContact CG-CD2 4.35Å; W451-Y486 HydrophobicContact CG-CE2 4.14Å; W451-Y486 AromaticContact CZ3-CD2 3.89Å; W451-Y486 HydrophobicContact CZ3-CD2 3.89Å; Q455-Y486 VanDerWaalsContact CD-CE1 3.49Å; Q455-Y486 HydrophobicContact CG-CD1 3.77Å; Q455-Y486 HydrophobicContact CG-CE1 3.54Å; Q455-Y486 HydrophobicContact CG-CE2 4.47Å; Q455-Y486 HydrophobicContact CG-CG 4.33Å; Q455-Y486 VanDerWaalsContact NE2-CZ 3.28Å; Q455-Y486 PolarHBondContact NE2-OH 3.34Å; Q455-Y486 VanDerWaalsContact NE2-OH 3.08Å; L482-Y486 PolarHBondContact O-N 2.91Å; W483-Y486 AromaticContact CE3-CD1 3.87Å; W483-Y486 HydrophobicContact CE3-CD1 3.87Å; W483-Y486 AromaticContact CZ3-CD1 3.69Å; W483-Y486 HydrophobicContact CZ3-CD1 3.69Å; W483-Y486 AromaticContact CZ3-CE1 3.94Å; W483-Y486 HydrophobicContact CZ3-CE1 3.94Å; W483-Y486 PolarHBondContact O-N 2.9Å; E484-Y486 PolarHBondContact O-N 3.41Å; Y486-N488 VanDerWaalsContact C-N 3.32Å; Y486-N488 PolarHBondContact O-N 3.48Å; Y486-Y489 WeakPolarHBondContact O-CB 3.45Å; Y486-Y489 PolarHBondContact O-N 3.3Å; Y486-L492 HydrophobicContact CD2-CD2 3.96Å; Y486-L492 HydrophobicContact CE2-CD1 3.85Å; Y486-L492 HydrophobicContact CE2-CD2 3.69Å; Y486-L492 HydrophobicContact CE2-CG 4.46Å
487	L	92.8	Very high	87.6	Confident	115 Å²	115	61.1 Å²	61.1	60%	0.602	31%	0.308	S	S	*	.	H	α-helix	trans	-67.6	-31.1	-173.5	-68.1	171.9	0	0	0	112.9	W483 E484	W483-L487 HydrophobicContact CE3-CD1 4.22Å; W483-L487 HydrophobicContact CE3-CD2 4.45Å; W483-L487 HydrophobicContact CE3-CG 4.16Å; W483-L487 WeakPolarHBondContact O-CB 3.46Å; W483-L487 VanDerWaalsContact O-CG 3.26Å; W483-L487 WeakPolarHBondContact O-CG 3.44Å; W483-L487 PolarHBondContact O-N 3.32Å; E484-L487 PolarHBondContact O-N 2.89Å
488	N	91.9	Very high	86.9	Confident	117 Å²	117	66.6 Å²	66.6	63%	0.626	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2	177.8	-66.8	-35.1	0	0	0	113.4	E484 Y486	E484-N488 VanDerWaalsContact CG-ND2 3.27Å; E484-N488 WeakPolarHBondContact CG-ND2 3.42Å; E484-N488 VanDerWaalsContact O-CB 3.29Å; E484-N488 WeakPolarHBondContact O-CB 3.37Å; E484-N488 PolarHBondContact O-N 3.41Å; E484-N488 PolarHBondContact O-ND2 2.93Å; Y486-N488 VanDerWaalsContact C-N 3.32Å; Y486-N488 PolarHBondContact O-N 3.48Å
489	Y	89.2	Confident	86.2	Confident	40 Å²	40	68.5 Å²	68.5	16%	0.157	34%	0.341	C	S	.	.			trans	-71.8	121.6	179.4	-158.7	-92	0	0	0	110.1	W451 Y485 Y486 D491 L492 R494 P496	W451-Y489 AromaticContact CH2-CD1 3.92Å; W451-Y489 HydrophobicContact CH2-CD1 3.92Å; W451-Y489 AromaticContact CH2-CD2 3.68Å; W451-Y489 HydrophobicContact CH2-CD2 3.68Å; W451-Y489 HydrophobicContact CH2-CE1 4.28Å; W451-Y489 HydrophobicContact CH2-CE2 4.07Å; W451-Y489 AromaticContact CH2-CG 3.59Å; W451-Y489 HydrophobicContact CH2-CG 3.59Å; W451-Y489 AromaticContact CZ2-CD1 3.51Å; W451-Y489 HydrophobicContact CZ2-CD1 3.51Å; W451-Y489 HydrophobicContact CZ2-CD2 4.08Å; W451-Y489 AromaticContact CZ2-CE1 3.68Å; W451-Y489 HydrophobicContact CZ2-CE1 3.68Å; W451-Y489 HydrophobicContact CZ2-CE2 4.24Å; W451-Y489 AromaticContact CZ2-CG 3.7Å; W451-Y489 HydrophobicContact CZ2-CG 3.7Å; Y485-Y489 HydrophobicContact CE1-CD2 4.44Å; Y485-Y489 HydrophobicContact CE2-CD2 4.26Å; Y485-Y489 AromaticContact CZ-CD2 3.96Å; Y485-Y489 WeakPolarHBondContact O-CB 3.2Å; Y485-Y489 PolarHBondContact O-N 2.95Å; Y485-Y489 WeakPolarHBondContact OH-CE2 3.42Å; Y486-Y489 WeakPolarHBondContact O-CB 3.45Å; Y486-Y489 PolarHBondContact O-N 3.3Å; Y489-D491 WeakPolarHBondContact CD1-O 3.29Å; Y489-D491 WeakPolarHBondContact CE1-O 3.19Å; Y489-D491 PolarHBondContact O-N 3.47Å; Y489-L492 HydrophobicContact CD1-CD2 4.22Å; Y489-R494 WeakPolarHBondContact CE1-O 2.85Å; Y489-R494 PolarHBondContact OH-O 3.31Å; Y489-R494 VanDerWaalsContact OH-O 3.07Å; Y489-P496 HydrophobicContact CE2-CB 4.31Å; Y489-P496 WeakPolarHBondContact OH-CA 2.99Å; Y489-P496 WeakPolarHBondContact OH-CB 3.3Å
490	P	89	Confident	85.6	Confident	128 Å²	128	70.9 Å²	70.9	83%	0.831	35%	0.352	S	S	*	.	S	Bend	trans	-71.5	-33.5	-163.9	25.8	-35	0	0	0	114.3
491	D	90.8	Very high	84.6	Confident	76 Å²	76	68.7 Å²	68.7	41%	0.406	34%	0.343	S	S	.	.			trans	-138.9	100.2	-179.4	177.8	4.1	0	0	0	110.4	Y489 T493 R494	Y489-D491 WeakPolarHBondContact CD1-O 3.29Å; Y489-D491 WeakPolarHBondContact CE1-O 3.19Å; Y489-D491 PolarHBondContact O-N 3.47Å; D491-T493 PolarHBondContact O-N 3Å; D491-T493 WeakPolarHBondContact OD1-CB 3.32Å; D491-T493 PolarHBondContact OD1-N 2.99Å; D491-T493 PolarHBondContact OD1-OG1 3.4Å; D491-T493 PolarHBondContact OD2-OG1 3.08Å; D491-R494 PolarHBondContact O-N 3.47Å
492	L	90.4	Very high	83.6	Confident	50 Å²	50	71.2 Å²	71.2	26%	0.262	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.1	-178.3	-62	179.6	0	0	0	113.4	W447 W451 Y486 Y489 R494	W447-L492 WeakPolarHBondContact CB-O 3.08Å; W447-L492 HydrophobicContact CE3-CB 4.29Å; W447-L492 HydrophobicContact CZ3-CB 4.46Å; W451-L492 HydrophobicContact CD2-CD2 3.87Å; W451-L492 HydrophobicContact CE3-CD2 4.45Å; W451-L492 HydrophobicContact CG-CD2 4.13Å; W451-L492 HydrophobicContact CZ2-CD2 3.98Å; W451-L492 PolarHBondContact NE1-O 3.44Å; Y486-L492 HydrophobicContact CD2-CD2 3.96Å; Y486-L492 HydrophobicContact CE2-CD1 3.85Å; Y486-L492 HydrophobicContact CE2-CD2 3.69Å; Y486-L492 HydrophobicContact CE2-CG 4.46Å; Y489-L492 HydrophobicContact CD1-CD2 4.22Å; L492-R494 VanDerWaalsContact C-N 3.33Å
493	T	88.8	Confident	82.3	Confident	85 Å²	85	80.5 Å²	80.5	52%	0.521	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.4	179.7	70.9	0	0	0	0	112.2	W447 D491 L495	W447-T493 HydrophobicContact CZ2-CG2 4.47Å; D491-T493 PolarHBondContact O-N 3Å; D491-T493 WeakPolarHBondContact OD1-CB 3.32Å; D491-T493 PolarHBondContact OD1-N 2.99Å; D491-T493 PolarHBondContact OD1-OG1 3.4Å; D491-T493 PolarHBondContact OD2-OG1 3.08Å; T493-L495 PolarHBondContact O-N 3.02Å
494	R	86.6	Confident	80.8	Confident	145 Å²	145	81.5 Å²	81.5	55%	0.547	40%	0.403	S	S	.	.	S	Bend	trans	-87	97.8	174.4	-176.3	-175.9	167.7	-175.6	-2.5	110.3	Y489 D491 L492 E500	Y489-R494 WeakPolarHBondContact CE1-O 2.85Å; Y489-R494 PolarHBondContact OH-O 3.31Å; Y489-R494 VanDerWaalsContact OH-O 3.07Å; D491-R494 PolarHBondContact O-N 3.47Å; L492-R494 VanDerWaalsContact C-N 3.33Å; R494-E500 IonicContact CZ-OE1 2.84Å; R494-E500 IonicContact NH2-OE1 2.71Å; R494-E500 PolarHBondContact NH2-OE1 2.93Å
495	L	83.9	Confident	79.2	Confident	33 Å²	33	80.4 Å²	80.4	17%	0.173	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-58	134.8	172.4	-72.7	177.4	0	0	0	111	P446 W447 Y450 T493 N497 P521	P446-L495 HydrophobicContact CB-CD1 4.25Å; W447-L495 HydrophobicContact CB-CD2 4.07Å; W447-L495 HydrophobicContact CB-CG 4.15Å; Y450-L495 HydrophobicContact CD1-CD2 3.32Å; Y450-L495 HydrophobicContact CE1-CD2 4.12Å; Y450-L495 HydrophobicContact CG-CD2 3.58Å; T493-L495 PolarHBondContact O-N 3.02Å; L495-N497 PolarHBondContact O-N 3.44Å; L495-P521 HydrophobicContact CD1-CG 4.2Å
496	P	80.4	Confident	77.6	Confident	2 Å²	2	83 Å²	83	1%	0.013	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-66.7	128	179.1	26.6	-33.3	0	0	0	109.4	Y450 Y489 L501 W520	Y450-P496 HydrophobicContact CE1-CG 3.97Å; Y489-P496 HydrophobicContact CE2-CB 4.31Å; Y489-P496 WeakPolarHBondContact OH-CA 2.99Å; Y489-P496 WeakPolarHBondContact OH-CB 3.3Å; P496-L501 HydrophobicContact CB-CD2 3.93Å; P496-L501 HydrophobicContact CB-CG 4.05Å; P496-L501 HydrophobicContact CG-CD1 4.35Å; P496-L501 HydrophobicContact CG-CD2 4.09Å; P496-L501 HydrophobicContact CG-CG 4.34Å; P496-W520 VanDerWaalsContact O-CE2 3.29Å; P496-W520 VanDerWaalsContact O-CZ2 3.31Å; P496-W520 WeakPolarHBondContact O-CZ2 3.47Å; P496-W520 PolarHBondContact O-NE1 3.35Å
497	N	76.2	Confident	76.2	Confident	80 Å²	80	85.6 Å²	85.6	43%	0.428	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-67.5	151	178.4	-76.7	-14.5	0	0	0	110.8	L495 T499 E500 L501	L495-N497 PolarHBondContact O-N 3.44Å; N497-T499 PolarHBondContact O-N 3.5Å; N497-T499 VanDerWaalsContact O-N 3.1Å; N497-E500 HydrophobicContact CB-CB 4.43Å; N497-E500 HydrophobicContact CB-CG 4.09Å; N497-E500 PolarHBondContact N-OE2 2.88Å; N497-E500 WeakPolarHBondContact O-CA 3.37Å; N497-E500 WeakPolarHBondContact O-CB 3.45Å; N497-E500 PolarHBondContact O-N 3.17Å; N497-L501 PolarHBondContact O-N 3.38Å
498	K	71.3	Confident	74.7	Confident	124 Å²	124	86.6 Å²	86.6	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-52.7	-36.3	175.4	-171	177.2	-176.8	177.2	0	112.4	L502	K498-L502 HydrophobicContact CG-CD1 4.26Å; K498-L502 WeakPolarHBondContact O-CB 3.41Å; K498-L502 VanDerWaalsContact O-CG 3.23Å; K498-L502 WeakPolarHBondContact O-CG 3.36Å; K498-L502 PolarHBondContact O-N 3.36Å
499	T	69.9	Low	73.4	Confident	85 Å²	85	84.9 Å²	84.9	52%	0.521	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-34.1	175.5	51.7	0	0	0	0	113.3	N497 L502 R503	N497-T499 PolarHBondContact O-N 3.5Å; N497-T499 VanDerWaalsContact O-N 3.1Å; T499-L502 PolarHBondContact O-N 2.97Å; T499-R503 WeakPolarHBondContact O-CB 3.44Å; T499-R503 VanDerWaalsContact O-CG 3.31Å; T499-R503 WeakPolarHBondContact O-CG 3.22Å; T499-R503 PolarHBondContact O-N 3.22Å
500	E	71.4	Confident	72.3	Confident	52 Å²	52	83.2 Å²	83.2	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-69.3	-42.3	175.2	-68.9	172.1	169.8	0	0	110.5	R494 N497 L502 R503 N504	R494-E500 IonicContact CZ-OE1 2.84Å; R494-E500 IonicContact NH2-OE1 2.71Å; R494-E500 PolarHBondContact NH2-OE1 2.93Å; N497-E500 HydrophobicContact CB-CB 4.43Å; N497-E500 HydrophobicContact CB-CG 4.09Å; N497-E500 PolarHBondContact N-OE2 2.88Å; N497-E500 WeakPolarHBondContact O-CA 3.37Å; N497-E500 WeakPolarHBondContact O-CB 3.45Å; N497-E500 PolarHBondContact O-N 3.17Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.31Å; E500-R503 PolarHBondContact O-N 2.73Å; E500-N504 WeakPolarHBondContact O-CB 3.31Å; E500-N504 PolarHBondContact O-N 3.27Å
501	L	70.2	Confident	71.4	Confident	26 Å²	26	79.6 Å²	79.6	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-62.3	-37.8	173.3	-65.7	175.1	0	0	0	111.8	P496 N497 H505 L510 L517	P496-L501 HydrophobicContact CB-CD2 3.93Å; P496-L501 HydrophobicContact CB-CG 4.05Å; P496-L501 HydrophobicContact CG-CD1 4.35Å; P496-L501 HydrophobicContact CG-CD2 4.09Å; P496-L501 HydrophobicContact CG-CG 4.34Å; N497-L501 PolarHBondContact O-N 3.38Å; L501-H505 PolarHBondContact O-N 3.47Å; L501-L510 HydrophobicContact CD2-CD2 4.47Å; L501-L510 WeakPolarHBondContact O-CD2 3.34Å; L501-L517 HydrophobicContact CD2-CD1 3.98Å
502	L	66	Low	70.4	Confident	107 Å²	107	79.5 Å²	79.5	56%	0.56	41%	0.41	S	S	*	.	H	α-helix	trans	-76.1	-33.3	176.4	-71	169.6	0	0	0	113.4	K498 T499 E500 H505	K498-L502 HydrophobicContact CG-CD1 4.26Å; K498-L502 WeakPolarHBondContact O-CB 3.41Å; K498-L502 VanDerWaalsContact O-CG 3.23Å; K498-L502 WeakPolarHBondContact O-CG 3.36Å; K498-L502 PolarHBondContact O-N 3.36Å; T499-L502 PolarHBondContact O-N 2.97Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.31Å; L502-H505 WeakPolarHBondContact O-CB 3.28Å; L502-H505 PolarHBondContact O-N 2.85Å
503	R	61.8	Low	69.8	Low	195 Å²	195	77.3 Å²	77.3	74%	0.736	40%	0.398	S	S	*	.	H	α-helix	trans	-72.2	-44.6	178.1	-81.9	-179.9	178.7	177.8	0.5	111.8	T499 E500 H505 S506	T499-R503 WeakPolarHBondContact O-CB 3.44Å; T499-R503 VanDerWaalsContact O-CG 3.31Å; T499-R503 WeakPolarHBondContact O-CG 3.22Å; T499-R503 PolarHBondContact O-N 3.22Å; E500-R503 PolarHBondContact O-N 2.73Å; R503-H505 PolarHBondContact O-N 3.48Å; R503-S506 PolarHBondContact O-N 3.37Å; R503-S506 PolarHBondContact O-OG 3.46Å
504	N	57.9	Low	69.1	Low	78 Å²	78	75.3 Å²	75.3	42%	0.417	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-68.7	-10.8	175.7	-77	-8.1	0	0	0	112.4	E500 S506 N507 L510	E500-N504 WeakPolarHBondContact O-CB 3.31Å; E500-N504 PolarHBondContact O-N 3.27Å; N504-S506 PolarHBondContact O-N 3Å; N504-S506 VanDerWaalsContact O-N 3.14Å; N504-N507 WeakPolarHBondContact O-CB 3.43Å; N504-N507 PolarHBondContact O-N 2.87Å; N504-L510 HydrophobicContact CB-CB 4.48Å; N504-L510 HydrophobicContact CB-CD2 3.33Å; N504-L510 WeakPolarHBondContact O-CB 3.43Å
505	H	56.8	Low	68.6	Low	67 Å²	67	77.9 Å²	77.9	31%	0.31	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.8	174	-134.5	-8.1	0	0	0	112.5	L501 L502 R503 N507 S511 S514	L501-H505 PolarHBondContact O-N 3.47Å; L502-H505 WeakPolarHBondContact O-CB 3.28Å; L502-H505 PolarHBondContact O-N 2.85Å; R503-H505 PolarHBondContact O-N 3.48Å; H505-N507 VanDerWaalsContact C-N 3.31Å; H505-S511 VanDerWaalsContact CE1-CA 3.46Å; H505-S511 WeakPolarHBondContact CE1-CA 3.41Å; H505-S511 VanDerWaalsContact ND1-CA 3.32Å; H505-S511 WeakPolarHBondContact ND1-CA 3.5Å; H505-S511 PolarHBondContact ND1-N 3.45Å; H505-S514 WeakPolarHBondContact CE1-CB 3.24Å; H505-S514 PolarHBondContact CE1-OG 3.24Å; H505-S514 VanDerWaalsContact NE2-CB 3.3Å; H505-S514 WeakPolarHBondContact NE2-CB 3.21Å; H505-S514 PolarHBondContact NE2-OG 3.39Å; H505-S514 VanDerWaalsContact NE2-OG 3.17Å
506	S	54.2	Low	68.4	Low	99 Å²	99	78.3 Å²	78.3	69%	0.692	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-70.9	-21.5	170.6	60.3	0	0	0	0	113.9	R503 N504	R503-S506 PolarHBondContact O-N 3.37Å; R503-S506 PolarHBondContact O-OG 3.46Å; N504-S506 PolarHBondContact O-N 3Å; N504-S506 VanDerWaalsContact O-N 3.14Å
507	N	59.8	Low	68.3	Low	94 Å²	94	79.2 Å²	79.2	50%	0.503	41%	0.41	S	S	.	.	S	Bend	trans	-81.9	123.9	167.7	-70.1	-18.3	0	0	0	108.3	N504 H505 T509 L510	N504-N507 WeakPolarHBondContact O-CB 3.43Å; N504-N507 PolarHBondContact O-N 2.87Å; H505-N507 VanDerWaalsContact C-N 3.31Å; N507-T509 PolarHBondContact O-N 3.33Å; N507-L510 PolarHBondContact O-N 2.99Å
508	N	61.8	Low	68.4	Low	136 Å²	136	75.8 Å²	75.8	73%	0.727	39%	0.392	S	S	*	.	H	α-helix	trans	-45.9	-32.3	-176.8	-73.6	-14.3	0	0	0	113.7	S511	N508-S511 PolarHBondContact O-N 2.99Å; N508-S511 PolarHBondContact O-OG 3.25Å
509	T	64.5	Low	68.2	Low	81 Å²	81	75 Å²	75	50%	0.497	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-42.6	-179.8	53	0	0	0	0	114.1	N507 S511 D512	N507-T509 PolarHBondContact O-N 3.33Å; T509-S511 VanDerWaalsContact C-N 3.35Å; T509-D512 PolarHBondContact O-N 2.99Å
510	L	67.7	Low	67.6	Low	5 Å²	5	73.9 Å²	73.9	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-78.7	-25.1	-178.4	-168.6	59.2	0	0	0	111.8	L501 N504 N507 D512 I513 S514 L517	L501-L510 HydrophobicContact CD2-CD2 4.47Å; L501-L510 WeakPolarHBondContact O-CD2 3.34Å; N504-L510 HydrophobicContact CB-CB 4.48Å; N504-L510 HydrophobicContact CB-CD2 3.33Å; N504-L510 WeakPolarHBondContact O-CB 3.43Å; N507-L510 PolarHBondContact O-N 2.99Å; L510-D512 PolarHBondContact O-N 2.97Å; L510-I513 HydrophobicContact CD1-CD1 3.67Å; L510-I513 HydrophobicContact CD1-CG1 3.57Å; L510-I513 PolarHBondContact O-N 3.47Å; L510-S514 PolarHBondContact O-N 2.9Å; L510-L517 HydrophobicContact CD1-CD1 3.81Å
511	S	68.3	Low	67.1	Low	51 Å²	51	71.6 Å²	71.6	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-57.2	-37.3	172.2	84.3	0	0	0	0	113.2	H505 N508 T509	H505-S511 VanDerWaalsContact CE1-CA 3.46Å; H505-S511 WeakPolarHBondContact CE1-CA 3.41Å; H505-S511 VanDerWaalsContact ND1-CA 3.32Å; H505-S511 WeakPolarHBondContact ND1-CA 3.5Å; H505-S511 PolarHBondContact ND1-N 3.45Å; N508-S511 PolarHBondContact O-N 2.99Å; N508-S511 PolarHBondContact O-OG 3.25Å; T509-S511 VanDerWaalsContact C-N 3.35Å
512	D	71	Confident	66.4	Low	74 Å²	74	73.4 Å²	73.4	40%	0.396	39%	0.391	S	S	.	.	H	α-helix	trans	-75.7	-30.6	-178.7	-66.2	-30.9	0	0	0	113.3	K481 T509 L510	K481-D512 HydrophobicContact CD-CB 4.25Å; K481-D512 IonicContact NZ-OD2 2.79Å; K481-D512 PolarHBondContact NZ-OD2 2.73Å; T509-D512 PolarHBondContact O-N 2.99Å; L510-D512 PolarHBondContact O-N 2.97Å
513	I	76.7	Confident	65.7	Low	4 Å²	4	74.3 Å²	74.3	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-103.6	-9.3	-173.2	72.2	177.6	0	0	0	113.9	S478 K481 L482 Y485 L510 K515 L516 L517	S478-I513 VanDerWaalsContact O-CG2 3.31Å; S478-I513 WeakPolarHBondContact O-CG2 3.35Å; K481-I513 HydrophobicContact CB-CG2 3.63Å; L482-I513 HydrophobicContact CB-CB 4.42Å; L482-I513 HydrophobicContact CB-CG2 4.22Å; L482-I513 HydrophobicContact CD1-CB 4.33Å; L482-I513 HydrophobicContact CD1-CD1 4.01Å; Y485-I513 HydrophobicContact CD1-CD1 4.33Å; Y485-I513 HydrophobicContact CD2-CD1 4.32Å; Y485-I513 HydrophobicContact CG-CD1 3.88Å; L510-I513 HydrophobicContact CD1-CD1 3.67Å; L510-I513 HydrophobicContact CD1-CG1 3.57Å; L510-I513 PolarHBondContact O-N 3.47Å; I513-K515 PolarHBondContact O-N 2.92Å; I513-K515 VanDerWaalsContact O-N 3.15Å; I513-L516 CarbonylContact O-C 3.43Å; I513-L516 WeakPolarHBondContact O-CA 3.34Å; I513-L516 WeakPolarHBondContact O-CB 3.41Å; I513-L516 PolarHBondContact O-N 2.67Å; I513-L517 HydrophobicContact CG1-CD1 4.46Å; I513-L517 PolarHBondContact O-N 2.93Å
514	S	75.1	Confident	65.5	Low	44 Å²	44	71.6 Å²	71.6	31%	0.308	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.3	-175.6	71.6	0	0	0	0	114.3	H505 L510 L516	H505-S514 WeakPolarHBondContact CE1-CB 3.24Å; H505-S514 PolarHBondContact CE1-OG 3.24Å; H505-S514 VanDerWaalsContact NE2-CB 3.3Å; H505-S514 WeakPolarHBondContact NE2-CB 3.21Å; H505-S514 PolarHBondContact NE2-OG 3.39Å; H505-S514 VanDerWaalsContact NE2-OG 3.17Å; L510-S514 PolarHBondContact O-N 2.9Å; S514-L516 VanDerWaalsContact C-N 3.29Å
515	K	76.9	Confident	65.8	Low	198 Å²	198	68.8 Å²	68.8	86%	0.861	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.2	174.5	-65.4	179.3	-178.2	174.2	0	112.9	I513	I513-K515 PolarHBondContact O-N 2.92Å; I513-K515 VanDerWaalsContact O-N 3.15Å
516	L	78.3	Confident	66.6	Low	43 Å²	43	69.4 Å²	69.4	23%	0.225	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-19.2	179.2	-66	174.7	0	0	0	112.5	Q457 L482 I513 S514	Q457-L516 PolarHBondContact OE1-O 3.12Å; L482-L516 HydrophobicContact CD2-CB 3.86Å; I513-L516 CarbonylContact O-C 3.43Å; I513-L516 WeakPolarHBondContact O-CA 3.34Å; I513-L516 WeakPolarHBondContact O-CB 3.41Å; I513-L516 PolarHBondContact O-N 2.67Å; S514-L516 VanDerWaalsContact C-N 3.29Å
517	L	79.4	Confident	67.6	Low	20 Å²	20	65 Å²	65	11%	0.105	35%	0.352	C	S	.	.	S	Bend	trans	-65.1	142.1	176.5	-79.2	169	0	0	0	109.8	V454 L482 Y485 L501 L510 I513 S519	V454-L517 HydrophobicContact CG2-CD2 4.32Å; L482-L517 HydrophobicContact CD1-CD2 3.62Å; L482-L517 HydrophobicContact CD1-CG 4.12Å; Y485-L517 HydrophobicContact CD1-CD2 4.42Å; Y485-L517 HydrophobicContact CE1-CD2 4.22Å; L501-L517 HydrophobicContact CD2-CD1 3.98Å; L510-L517 HydrophobicContact CD1-CD1 3.81Å; I513-L517 HydrophobicContact CG1-CD1 4.46Å; I513-L517 PolarHBondContact O-N 2.93Å; L517-S519 PolarHBondContact O-N 3.42Å
518	P	76.7	Confident	68.3	Low	9 Å²	9	65.9 Å²	65.9	6%	0.058	36%	0.357	C	S	.	.			trans	-55.8	138	175.1	-17.2	25.8	0	0	0	108.4	Y450 R453 V454 W520	Y450-P518 HydrophobicContact CD2-CG 4.37Å; Y450-P518 HydrophobicContact CE2-CB 4.35Å; Y450-P518 HydrophobicContact CE2-CG 4.1Å; R453-P518 HydrophobicContact CB-CB 4.19Å; R453-P518 HydrophobicContact CB-CG 3.69Å; V454-P518 HydrophobicContact CG2-CG 3.76Å; P518-W520 VanDerWaalsContact C-N 3.33Å; P518-W520 PolarHBondContact O-N 3Å
519	S	67.3	Low	69.2	Low	108 Å²	108	60 Å²	60	76%	0.755	33%	0.326	S	S	*	.	S	Bend	trans	-52.5	110.7	160.7	58.4	0	0	0	0	105.2	L517	L517-S519 PolarHBondContact O-N 3.42Å
520	W	58	Low	70.1	Confident	61 Å²	61	61.8 Å²	61.8	23%	0.231	33%	0.329	C	S	.	.			trans	-26.3	134.5	-171.5	-142.5	73.4	0	0	0	110.7	P496 P518 E523	P496-W520 VanDerWaalsContact O-CE2 3.29Å; P496-W520 VanDerWaalsContact O-CZ2 3.31Å; P496-W520 WeakPolarHBondContact O-CZ2 3.47Å; P496-W520 PolarHBondContact O-NE1 3.35Å; P518-W520 VanDerWaalsContact C-N 3.33Å; P518-W520 PolarHBondContact O-N 3Å; W520-E523 HydrophobicContact CD2-CG 4.2Å; W520-E523 HydrophobicContact CE3-CB 4.11Å; W520-E523 HydrophobicContact CE3-CG 3.21Å; W520-E523 HydrophobicContact CH2-CG 4.19Å; W520-E523 HydrophobicContact CZ3-CB 3.93Å; W520-E523 HydrophobicContact CZ3-CG 3.25Å
521	P	60.9	Low	70.9	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.026	34%	0.336	C	S	.	.	S	Bend	trans	-51.4	130.6	177	28.9	-29.1	0	0	0	104.9	Y450 L495 E523	Y450-P521 VanDerWaalsContact CD2-CD 3.44Å; Y450-P521 HydrophobicContact CD2-CG 3.95Å; Y450-P521 HydrophobicContact CG-CG 4.33Å; L495-P521 HydrophobicContact CD1-CG 4.2Å; P521-E523 PolarHBondContact O-N 2.9Å; P521-E523 VanDerWaalsContact O-N 3.11Å
522	P	56.1	Low	71.9	Confident	63 Å²	63	60.7 Å²	60.7	41%	0.409	32%	0.319	S	S	.	.			trans	-47.8	132	-164.7	5	-15.4	0	0	0	107.9	N524 L525	P522-N524 CarbonylContact O-C 3.53Å; P522-N524 PolarHBondContact O-N 2.69Å; P522-L525 HydrophobicContact CG-CB 4.01Å; P522-L525 HydrophobicContact CG-CD1 4.37Å; P522-L525 WeakPolarHBondContact O-CB 3.4Å; P522-L525 PolarHBondContact O-N 2.98Å
523	E	51.4	Low	73	Confident	127 Å²	127	57.1 Å²	57.1	59%	0.593	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-16.3	-169.6	-80.3	167.5	-176.5	0	0	113.2	W520 P521	W520-E523 HydrophobicContact CD2-CG 4.2Å; W520-E523 HydrophobicContact CE3-CB 4.11Å; W520-E523 HydrophobicContact CE3-CG 3.21Å; W520-E523 HydrophobicContact CH2-CG 4.19Å; W520-E523 HydrophobicContact CZ3-CB 3.93Å; W520-E523 HydrophobicContact CZ3-CG 3.25Å; P521-E523 PolarHBondContact O-N 2.9Å; P521-E523 VanDerWaalsContact O-N 3.11Å
524	N	56.1	Low	73.8	Confident	137 Å²	137	58.4 Å²	58.4	73%	0.733	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	18.4	179.7	-52.7	-20.8	0	0	0	114	P522 D526	P522-N524 CarbonylContact O-C 3.53Å; P522-N524 PolarHBondContact O-N 2.69Å; N524-D526 PolarHBondContact O-N 3.43Å
525	L	64.9	Low	74.8	Confident	19 Å²	19	56.3 Å²	56.3	10%	0.099	29%	0.291	C	S	.	.			trans	-74.5	81.6	178.5	-168.4	68	0	0	0	109.6	F205 L449 P522 L527	F205-L525 HydrophobicContact CD2-CD1 4.27Å; F205-L525 HydrophobicContact CE2-CD1 3.71Å; L449-L525 HydrophobicContact CD2-CD2 3.81Å; P522-L525 HydrophobicContact CG-CB 4.01Å; P522-L525 HydrophobicContact CG-CD1 4.37Å; P522-L525 WeakPolarHBondContact O-CB 3.4Å; P522-L525 PolarHBondContact O-N 2.98Å; L525-L527 HydrophobicContact CD1-CD2 4.27Å; L525-L527 HydrophobicContact CD2-CD2 3.88Å; L525-L527 HydrophobicContact CD2-CG 4.44Å; L525-L527 HydrophobicContact CG-CD2 3.83Å; L525-L527 HydrophobicContact CG-CG 4.34Å; L525-L527 PolarHBondContact O-N 3.34Å
526	D	72.9	Confident	75.8	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	25%	0.252	S	S	.	.			trans	-79.8	100.2	171.2	-177.3	1.2	0	0	0	108.8	N524 D528 S529	N524-D526 PolarHBondContact O-N 3.43Å; D526-D528 PolarHBondContact O-N 2.73Å; D526-D528 WeakPolarHBondContact OD1-CA 3.34Å; D526-D528 WeakPolarHBondContact OD1-CB 3.49Å; D526-D528 PolarHBondContact OD1-N 3.17Å; D526-S529 WeakPolarHBondContact O-CB 3.42Å; D526-S529 PolarHBondContact O-N 2.94Å; D526-S529 PolarHBondContact O-OG 3.44Å; D526-S529 PolarHBondContact OD1-N 3Å; D526-S529 WeakPolarHBondContact OD2-CB 3.4Å
527	L	75.3	Confident	76.7	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-5.3	176.8	-66.3	-174.8	0	0	0	113.4	W442 A444 P446 L525 F532	W442-L527 HydrophobicContact CH2-CD2 4.41Å; W442-L527 HydrophobicContact CZ3-CD2 3.81Å; A444-L527 HydrophobicContact CB-CD1 3.88Å; P446-L527 HydrophobicContact CG-CD1 4.22Å; P446-L527 HydrophobicContact CG-CG 4.23Å; L525-L527 HydrophobicContact CD1-CD2 4.27Å; L525-L527 HydrophobicContact CD2-CD2 3.88Å; L525-L527 HydrophobicContact CD2-CG 4.44Å; L525-L527 HydrophobicContact CG-CD2 3.83Å; L525-L527 HydrophobicContact CG-CG 4.34Å; L525-L527 PolarHBondContact O-N 3.34Å; L527-F532 HydrophobicContact CB-CE1 4.3Å; L527-F532 HydrophobicContact CD2-CD1 4Å; L527-F532 HydrophobicContact CD2-CE1 4.16Å; L527-F532 HydrophobicContact CD2-CG 4.41Å; L527-F532 WeakPolarHBondContact O-CE1 3.29Å; L527-F532 WeakPolarHBondContact O-CZ 3.34Å
528	D	74.7	Confident	77.4	Confident	111 Å²	111	47.4 Å²	47.4	59%	0.594	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.1	168.2	-80.9	-55.2	0	0	0	112.2	K441 D526	K441-D528 VanDerWaalsContact CE-OD1 3.27Å; K441-D528 WeakPolarHBondContact CE-OD1 3.48Å; K441-D528 IonicContact NZ-OD1 3.87Å; K441-D528 PolarHBondContact NZ-OD1 3.33Å; D526-D528 PolarHBondContact O-N 2.73Å; D526-D528 WeakPolarHBondContact OD1-CA 3.34Å; D526-D528 WeakPolarHBondContact OD1-CB 3.49Å; D526-D528 PolarHBondContact OD1-N 3.17Å
529	S	80.1	Confident	78.1	Confident	13 Å²	13	48.7 Å²	48.7	9%	0.091	25%	0.253	C	S	.	.	S	Bend	trans	-90.7	171.4	-180	77.8	0	0	0	0	114.4	G310 D526 D531 F532	G310-S529 VanDerWaalsContact CA-O 3.25Å; G310-S529 WeakPolarHBondContact CA-O 3.27Å; D526-S529 WeakPolarHBondContact O-CB 3.42Å; D526-S529 PolarHBondContact O-N 2.94Å; D526-S529 PolarHBondContact O-OG 3.44Å; D526-S529 PolarHBondContact OD1-N 3Å; D526-S529 WeakPolarHBondContact OD2-CB 3.4Å; S529-D531 PolarHBondContact O-N 3.22Å; S529-D531 VanDerWaalsContact OG-CB 3.28Å; S529-D531 WeakPolarHBondContact OG-CB 3.48Å; S529-D531 PolarHBondContact OG-N 3.46Å; S529-D531 PolarHBondContact OG-OD2 3.41Å; S529-D531 VanDerWaalsContact OG-OD2 3.13Å; S529-F532 WeakPolarHBondContact O-CE1 3.5Å
530	E	83.5	Confident	79.2	Confident	119 Å²	119	47.8 Å²	47.8	56%	0.556	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	31.2	172.2	-62.2	177.9	-173.5	0	0	113.3	L263 R285 P309	L263-E530 WeakPolarHBondContact CD1-O 3.45Å; R285-E530 PolarHBondContact NH2-O 3.24Å; P309-E530 HydrophobicContact CB-CB 4.11Å; P309-E530 HydrophobicContact CG-CB 4.43Å
531	D	85.7	Confident	80.6	Confident	32 Å²	32	46.9 Å²	46.9	17%	0.171	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9	-176.1	-71.6	-27.6	0	0	0	115.3	G262 L263 K266 R285 S529	G262-D531 WeakPolarHBondContact CA-O 3.19Å; L263-D531 PolarHBondContact N-O 3.26Å; K266-D531 WeakPolarHBondContact CE-OD1 3.4Å; K266-D531 WeakPolarHBondContact CE-OD2 3.25Å; K266-D531 IonicContact NZ-OD1 2.76Å; K266-D531 PolarHBondContact NZ-OD1 2.89Å; K266-D531 IonicContact NZ-OD2 2.65Å; K266-D531 PolarHBondContact NZ-OD2 3.49Å; R285-D531 IonicContact NH2-OD1 3.74Å; S529-D531 PolarHBondContact O-N 3.22Å; S529-D531 VanDerWaalsContact OG-CB 3.28Å; S529-D531 WeakPolarHBondContact OG-CB 3.48Å; S529-D531 PolarHBondContact OG-N 3.46Å; S529-D531 PolarHBondContact OG-OD2 3.41Å; S529-D531 VanDerWaalsContact OG-OD2 3.13Å
532	F	89.1	Confident	81.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	166.3	176.1	66.6	-84.1	0	0	0	109.9	V261 L263 G310 W442 L527 S529	V261-F532 CarbonylContact O-C 3.59Å; V261-F532 WeakPolarHBondContact O-CA 3.45Å; L263-F532 WeakPolarHBondContact CD1-O 3.48Å; G310-F532 WeakPolarHBondContact CA-O 3.44Å; G310-F532 PolarHBondContact N-O 3.38Å; W442-F532 HydrophobicContact CD2-CE2 4.24Å; W442-F532 AromaticContact CE3-CD2 3.69Å; W442-F532 HydrophobicContact CE3-CD2 3.69Å; W442-F532 AromaticContact CE3-CE2 3.13Å; W442-F532 HydrophobicContact CE3-CE2 3.13Å; W442-F532 AromaticContact CE3-CZ 3.67Å; W442-F532 HydrophobicContact CE3-CZ 3.67Å; W442-F532 AromaticContact CZ3-CD2 3.6Å; W442-F532 HydrophobicContact CZ3-CD2 3.6Å; W442-F532 AromaticContact CZ3-CE2 3.55Å; W442-F532 HydrophobicContact CZ3-CE2 3.55Å; W442-F532 HydrophobicContact CZ3-CG 4.3Å; W442-F532 HydrophobicContact CZ3-CZ 4.14Å; L527-F532 HydrophobicContact CB-CE1 4.3Å; L527-F532 HydrophobicContact CD2-CD1 4Å; L527-F532 HydrophobicContact CD2-CE1 4.16Å; L527-F532 HydrophobicContact CD2-CG 4.41Å; L527-F532 WeakPolarHBondContact O-CE1 3.29Å; L527-F532 WeakPolarHBondContact O-CZ 3.34Å; S529-F532 WeakPolarHBondContact O-CE1 3.5Å
533	A	93	Very high	83.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.6	163.2	0	0	0	0	0	108.3	V261 L263 L287 V307	V261-A533 PolarHBondContact N-O 3.22Å; V261-A533 PolarHBondContact O-N 2.84Å; L263-A533 HydrophobicContact CD2-CB 4.31Å; L287-A533 HydrophobicContact CD1-CB 3.93Å; L287-A533 HydrophobicContact CG-CB 4.45Å; V307-A533 HydrophobicContact CG1-CB 3.84Å
534	Y	94.3	Very high	85.5	Confident	30 Å²	30	43.7 Å²	43.7	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	109	174.7	-179	-144.6	0	0	0	109.4	S258 L259 I260 K311 L312 N313 W442 I536	S258-Y534 WeakPolarHBondContact OG-CE2 3.28Å; S258-Y534 PolarHBondContact OG-OH 3.09Å; L259-Y534 WeakPolarHBondContact O-CD2 3.49Å; I260-Y534 HydrophobicContact CG1-CD2 3.56Å; I260-Y534 HydrophobicContact CG1-CE2 3.97Å; I260-Y534 HydrophobicContact CG1-CG 4.38Å; K311-Y534 PolarHBondContact O-N 3.13Å; L312-Y534 CarbonylContact C-O 3.57Å; L312-Y534 WeakPolarHBondContact CA-O 3.29Å; L312-Y534 HydrophobicContact CB-CD1 3.91Å; L312-Y534 HydrophobicContact CD1-CD1 3.63Å; L312-Y534 HydrophobicContact CD1-CE1 3.64Å; L312-Y534 HydrophobicContact CG-CD1 3.5Å; L312-Y534 VanDerWaalsContact CG-CD1 3.5Å; L312-Y534 HydrophobicContact CG-CE1 3.9Å; L312-Y534 HydrophobicContact CG-CG 4.42Å; N313-Y534 PolarHBondContact N-O 3.25Å; W442-Y534 AromaticContact CD1-CD1 3.51Å; W442-Y534 HydrophobicContact CD2-CD1 4.01Å; W442-Y534 HydrophobicContact CD2-CG 4.21Å; W442-Y534 AromaticContact CE2-CD1 3.7Å; W442-Y534 AromaticContact CG-CD1 3.88Å; W442-Y534 HydrophobicContact CG-CD1 3.88Å; W442-Y534 HydrophobicContact CG-CG 4.43Å; W442-Y534 HydrophobicContact CZ2-CD1 4.39Å; W442-Y534 HydrophobicContact CZ2-CG 4.37Å; W442-Y534 AromaticContact NE1-CD1 3.41Å; W442-Y534 AromaticContact NE1-CE1 3.67Å; Y534-I536 HydrophobicContact CD1-CD1 4.45Å; Y534-I536 HydrophobicContact CE1-CD1 3.67Å; Y534-I536 HydrophobicContact CE1-CG1 3.98Å; Y534-I536 HydrophobicContact CE2-CG1 4.14Å
535	V	97	Very high	87.3	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	-174.6	-174.7	0	0	0	0	109.7	S258 L259 L287 V307 N313 I315	S258-V535 CarbonylContact C-O 3.57Å; S258-V535 VanDerWaalsContact CA-O 3.31Å; S258-V535 WeakPolarHBondContact CA-O 3.33Å; L259-V535 PolarHBondContact N-O 3.32Å; L259-V535 PolarHBondContact O-N 3.15Å; L287-V535 HydrophobicContact CD1-CG2 4.13Å; V307-V535 HydrophobicContact CG1-CG2 3.63Å; V307-V535 HydrophobicContact CG2-CG2 4.34Å; N313-V535 CarbonylContact O-C 3.47Å; N313-V535 WeakPolarHBondContact O-CA 3.44Å; I315-V535 HydrophobicContact CD1-CG1 4.04Å
536	I	97	Very high	88.9	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	175	-62.3	176.3	0	0	0	108.4	F256 L312 N313 E314 I315 Y534 K538	F256-I536 HydrophobicContact CD2-CG2 4.05Å; F256-I536 HydrophobicContact CE1-CG2 4.42Å; F256-I536 HydrophobicContact CE2-CG2 3.26Å; F256-I536 HydrophobicContact CZ-CB 4.41Å; F256-I536 HydrophobicContact CZ-CD1 4.12Å; F256-I536 HydrophobicContact CZ-CG1 4.15Å; F256-I536 HydrophobicContact CZ-CG2 3.49Å; F256-I536 VanDerWaalsContact CZ-CG2 3.49Å; L312-I536 HydrophobicContact CD1-CD1 4.01Å; L312-I536 HydrophobicContact CD2-CD1 3.92Å; L312-I536 HydrophobicContact CG-CD1 4.01Å; N313-I536 PolarHBondContact O-N 3.38Å; E314-I536 HydrophobicContact CB-CB 4.32Å; E314-I536 HydrophobicContact CG-CB 4.39Å; E314-I536 HydrophobicContact CG-CG2 4.23Å; I315-I536 PolarHBondContact N-O 3.47Å; Y534-I536 HydrophobicContact CD1-CD1 4.45Å; Y534-I536 HydrophobicContact CE1-CD1 3.67Å; Y534-I536 HydrophobicContact CE1-CG1 3.98Å; Y534-I536 HydrophobicContact CE2-CG1 4.14Å; I536-K538 HydrophobicContact CG2-CB 4.49Å
537	L	97.1	Very high	90	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.7	169.8	177.9	63.5	0	0	0	108.7	F123 P124 L126 L257 I291 I315 Y317	F123-L537 HydrophobicContact CE1-CD2 3.59Å; F123-L537 HydrophobicContact CE1-CG 4.1Å; F123-L537 HydrophobicContact CZ-CB 4.24Å; F123-L537 HydrophobicContact CZ-CD2 3.73Å; F123-L537 HydrophobicContact CZ-CG 3.68Å; P124-L537 HydrophobicContact CG-CD2 4.25Å; L126-L537 HydrophobicContact CB-CD2 3.96Å; L126-L537 HydrophobicContact CD1-CD2 4.33Å; L126-L537 HydrophobicContact CD2-CB 4.37Å; L126-L537 HydrophobicContact CD2-CD2 4.23Å; L126-L537 HydrophobicContact CG-CD2 4.4Å; L257-L537 HydrophobicContact CB-CB 4.47Å; L257-L537 PolarHBondContact N-O 2.84Å; L257-L537 PolarHBondContact O-N 2.65Å; I291-L537 HydrophobicContact CD1-CD1 3.46Å; I291-L537 VanDerWaalsContact CD1-CD1 3.46Å; I291-L537 HydrophobicContact CG1-CD1 3.95Å; I315-L537 HydrophobicContact CB-CD1 4.26Å; I315-L537 HydrophobicContact CG2-CD1 4.33Å; I315-L537 WeakPolarHBondContact O-CA 3.08Å; Y317-L537 HydrophobicContact CD1-CD1 3.63Å; Y317-L537 HydrophobicContact CD1-CG 4.23Å; Y317-L537 HydrophobicContact CE1-CD1 4.2Å; Y317-L537 HydrophobicContact CE1-CG 4.31Å
538	K	94	Very high	91.1	Very high	63 Å²	63	37.6 Å²	37.6	27%	0.274	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	155.6	177.7	76	-176.6	-170.9	-162.3	0	111.8	F256 E314 I315 N316 Y317 I536	F256-K538 HydrophobicContact CD2-CB 3.75Å; F256-K538 HydrophobicContact CD2-CD 4.34Å; F256-K538 HydrophobicContact CE2-CB 4.36Å; F256-K538 HydrophobicContact CE2-CD 4.32Å; E314-K538 HydrophobicContact CG-CD 4.46Å; E314-K538 WeakPolarHBondContact OE1-CE 3.44Å; E314-K538 IonicContact OE1-NZ 3.21Å; E314-K538 PolarHBondContact OE1-NZ 3.3Å; E314-K538 IonicContact OE2-NZ 3.47Å; E314-K538 PolarHBondContact OE2-NZ 3.19Å; I315-K538 PolarHBondContact O-N 3.03Å; I315-K538 VanDerWaalsContact O-N 3.08Å; N316-K538 WeakPolarHBondContact CA-O 3.46Å; N316-K538 WeakPolarHBondContact OD1-CE 3.36Å; N316-K538 WeakPolarHBondContact OD1-CG 3.44Å; Y317-K538 VanDerWaalsContact CD1-O 3.24Å; Y317-K538 WeakPolarHBondContact CD1-O 3.48Å; Y317-K538 PolarHBondContact N-O 2.89Å; I536-K538 HydrophobicContact CG2-CB 4.49Å
539	R	91.6	Very high	92.2	Very high	36 Å²	36	34.3 Å²	34.3	14%	0.136	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140	176.7	-161.9	179.9	-70.4	170.2	-0.3	110.2	S121 Y317 S541	S121-R539 PolarHBondContact O-NH1 3.01Å; S121-R539 PolarHBondContact O-NH2 3.36Å; S121-R539 PolarHBondContact OG-NH1 3.13Å; S121-R539 PolarHBondContact OG-NH2 2.92Å; Y317-R539 HydrophobicContact CD2-CG 4.46Å; Y317-R539 HydrophobicContact CE1-CB 4.06Å; Y317-R539 HydrophobicContact CE2-CB 4.29Å; Y317-R539 HydrophobicContact CE2-CG 3.9Å; Y317-R539 PolarHBondContact OH-NE 3.34Å; Y317-R539 VanDerWaalsContact OH-NE 3.13Å; Y317-R539 PolarHBondContact OH-NH2 3.36Å; R539-S541 WeakPolarHBondContact CD-O 3.46Å; R539-S541 WeakPolarHBondContact CG-O 3.23Å
540	K	89.9	Confident	92.9	Very high	90 Å²	90	38.7 Å²	38.7	39%	0.391	18%	0.183	S	C	.	.	S	Bend	trans	-65.9	-41	176.2	-76.3	-177	-179.8	174.6	0	113.5	N316 Y317 E318 T436	N316-K540 HydrophobicContact CB-CD 4.45Å; N316-K540 HydrophobicContact CB-CG 3.76Å; N316-K540 WeakPolarHBondContact O-CE 3.45Å; Y317-K540 PolarHBondContact O-N 3.23Å; E318-K540 HydrophobicContact CB-CD 4.36Å; T436-K540 WeakPolarHBondContact OG1-CE 3.3Å; T436-K540 PolarHBondContact OG1-NZ 3.12Å
541	S	87.6	Confident	93.4	Very high	42 Å²	42	36 Å²	36	29%	0.294	17%	0.172	S	C	.	.			trans	-149.2	161.9	-178	73.2	0	0	0	0	109.8	R539 S543	R539-S541 WeakPolarHBondContact CD-O 3.46Å; R539-S541 WeakPolarHBondContact CG-O 3.23Å; S541-S543 PolarHBondContact O-N 3.28Å; S541-S543 PolarHBondContact OG-N 2.9Å
542	Q	86.1	Confident	93.7	Very high	114 Å²	114	38.2 Å²	38.2	53%	0.533	19%	0.186	S	C	.	.	S	Bend	trans	-76.2	2.1	172.7	-68.7	-176.4	-23.6	0	0	113.1	N119	N119-Q542 PolarHBondContact N-O 3.27Å
543	S	90.9	Very high	93.9	Very high	12 Å²	12	39 Å²	39	8%	0.084	19%	0.19	C	C	.	.			trans	-87.2	155.2	-178.8	-55.3	0	0	0	0	111.5	I116 L117 S541	I116-S543 VanDerWaalsContact O-CA 3.29Å; I116-S543 WeakPolarHBondContact O-CA 3.49Å; I116-S543 WeakPolarHBondContact O-CB 3.31Å; L117-S543 WeakPolarHBondContact CD2-OG 3.46Å; S541-S543 PolarHBondContact O-N 3.28Å; S541-S543 PolarHBondContact OG-N 2.9Å
544	T	93.8	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	173.2	-62.1	0	0	0	0	108.9	I116 N119 S121 R321 Y431 E546	I116-T544 PolarHBondContact N-O 2.9Å; I116-T544 PolarHBondContact O-N 3.35Å; N119-T544 PolarHBondContact O-OG1 2.71Å; N119-T544 VanDerWaalsContact O-OG1 3.09Å; S121-T544 WeakPolarHBondContact CB-OG1 3.38Å; S121-T544 PolarHBondContact OG-OG1 3.44Å; R321-T544 HydrophobicContact CB-CG2 3.92Å; Y431-T544 HydrophobicContact CE1-CG2 4.44Å; T544-E546 PolarHBondContact O-N 3.44Å
545	I	95.7	Very high	93.8	Very high	30 Å²	30	43.3 Å²	43.3	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	113.9	172.5	-62.3	176.3	0	0	0	107.6	T113 L115 E318 P319 I320 R321 K547	T113-I545 HydrophobicContact CG2-CG2 3.6Å; L115-I545 HydrophobicContact CD1-CG1 3.91Å; E318-I545 HydrophobicContact CG-CD1 3.93Å; E318-I545 HydrophobicContact CG-CG1 4.3Å; E318-I545 WeakPolarHBondContact OE2-CD1 3.32Å; P319-I545 PolarHBondContact O-N 3.48Å; I320-I545 CarbonylContact C-O 3.54Å; I320-I545 VanDerWaalsContact CA-O 3.28Å; I320-I545 WeakPolarHBondContact CA-O 3.33Å; I320-I545 HydrophobicContact CG1-CB 4.23Å; I320-I545 HydrophobicContact CG2-CG2 4.46Å; R321-I545 PolarHBondContact N-O 2.86Å; I545-K547 HydrophobicContact CG2-CG 4.43Å
546	E	96.6	Very high	93.7	Very high	19 Å²	19	51.7 Å²	51.7	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.4	176.2	-168.5	172.8	98.9	0	0	110.6	T113 Q114 I116 R321 K323 T544 T548	T113-E546 CarbonylContact C-O 3.59Å; T113-E546 WeakPolarHBondContact CA-O 3.4Å; Q114-E546 PolarHBondContact N-O 2.82Å; Q114-E546 PolarHBondContact O-N 3.3Å; I116-E546 HydrophobicContact CD1-CB 3.61Å; I116-E546 HydrophobicContact CD1-CG 4.22Å; I116-E546 HydrophobicContact CG1-CB 4.04Å; R321-E546 WeakPolarHBondContact O-CA 3.5Å; K323-E546 HydrophobicContact CD-CG 4.34Å; K323-E546 WeakPolarHBondContact CE-OE2 3.35Å; K323-E546 VanDerWaalsContact NZ-CD 3.27Å; K323-E546 IonicContact NZ-OE1 2.76Å; K323-E546 PolarHBondContact NZ-OE1 3.37Å; K323-E546 IonicContact NZ-OE2 2.93Å; K323-E546 PolarHBondContact NZ-OE2 2.96Å; T544-E546 PolarHBondContact O-N 3.44Å; E546-T548 HydrophobicContact CG-CG2 3.71Å; E546-T548 WeakPolarHBondContact OE1-CG2 3.36Å
547	K	97.6	Very high	93.5	Very high	52 Å²	52	53.1 Å²	53.1	23%	0.226	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	104.9	173.9	-69.3	-176.9	-179.4	173.5	0	108.7	V111 T113 I320 R321 W322 K323 I545	V111-K547 HydrophobicContact CG1-CB 3.96Å; V111-K547 HydrophobicContact CG1-CG 4.37Å; T113-K547 HydrophobicContact CG2-CG 4.14Å; I320-K547 HydrophobicContact CG2-CD 3.82Å; I320-K547 HydrophobicContact CG2-CG 4.1Å; R321-K547 PolarHBondContact O-N 2.75Å; W322-K547 HydrophobicContact CD2-CB 3.9Å; W322-K547 HydrophobicContact CD2-CD 4.15Å; W322-K547 HydrophobicContact CE3-CB 3.65Å; W322-K547 HydrophobicContact CE3-CD 4.29Å; W322-K547 HydrophobicContact CH2-CB 4.34Å; W322-K547 HydrophobicContact CH2-CD 3.6Å; W322-K547 HydrophobicContact CZ2-CD 3.42Å; W322-K547 VanDerWaalsContact CZ2-CD 3.42Å; W322-K547 HydrophobicContact CZ3-CB 3.88Å; W322-K547 HydrophobicContact CZ3-CD 4.04Å; K323-K547 PolarHBondContact N-O 3.02Å; I545-K547 HydrophobicContact CG2-CG 4.43Å
548	T	97.6	Very high	93.3	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.3	-178.4	58.2	0	0	0	0	110.9	N112 K323 E546	N112-T548 PolarHBondContact N-O 3.47Å; N112-T548 PolarHBondContact O-N 2.91Å; N112-T548 PolarHBondContact O-OG1 3.3Å; K323-T548 HydrophobicContact CB-CG2 4.16Å; K323-T548 HydrophobicContact CD-CG2 4.05Å; E546-T548 HydrophobicContact CG-CG2 3.71Å; E546-T548 WeakPolarHBondContact OE1-CG2 3.36Å
549	E	97.1	Very high	93.3	Very high	42 Å²	42	54.5 Å²	54.5	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.1	168.8	-72.7	178.7	176	0	0	110.1	V109 T110 V111 K323 R324 L325	V109-E549 HydrophobicContact CB-CB 4.44Å; T110-E549 WeakPolarHBondContact O-CA 3.28Å; V111-E549 HydrophobicContact CG2-CG 4.17Å; K323-E549 PolarHBondContact O-N 2.81Å; R324-E549 VanDerWaalsContact CA-OE2 3.23Å; R324-E549 WeakPolarHBondContact CA-OE2 3.39Å; R324-E549 WeakPolarHBondContact CB-OE2 3.4Å; L325-E549 HydrophobicContact CB-CB 3.89Å; L325-E549 PolarHBondContact N-OE2 2.97Å
550	K	94.8	Very high	93.4	Very high	105 Å²	105	56.9 Å²	56.9	46%	0.457	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.5	176.1	-65.6	-176.5	178.1	176.4	0	109.6	V109 T110 N112 V552	V109-K550 CarbonylContact C-O 3.57Å; V109-K550 VanDerWaalsContact CA-O 3.29Å; V109-K550 WeakPolarHBondContact CA-O 3.35Å; T110-K550 HydrophobicContact CG2-CB 4.47Å; T110-K550 PolarHBondContact N-O 2.9Å; T110-K550 PolarHBondContact O-N 3.41Å; N112-K550 HydrophobicContact CB-CD 4.38Å; N112-K550 PolarHBondContact ND2-NZ 2.81Å; K550-V552 PolarHBondContact O-N 3.43Å
551	L	94.5	Very high	93.6	Very high	63 Å²	63	58.6 Å²	58.6	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.4	173	-66.6	172.3	0	0	0	110	Y107 V109 L325 T327 L553	Y107-L551 HydrophobicContact CD1-CD2 4.25Å; V109-L551 HydrophobicContact CG1-CD2 4.36Å; L325-L551 HydrophobicContact CD2-CD1 4.4Å; L325-L551 HydrophobicContact CD2-CD2 3.57Å; L325-L551 HydrophobicContact CD2-CG 3.5Å; L325-L551 VanDerWaalsContact CD2-CG 3.5Å; T327-L551 HydrophobicContact CG2-CD2 4.14Å; L551-L553 VanDerWaalsContact C-N 3.32Å
552	V	92.9	Very high	93.9	Very high	78 Å²	78	58.6 Å²	58.6	47%	0.473	29%	0.293	S	S	.	.	S	Bend	trans	-65.3	-41.5	170.9	175.4	0	0	0	0	110	D108 T110 K550	D108-V552 HydrophobicContact CB-CB 4.46Å; D108-V552 HydrophobicContact CB-CG2 4.26Å; D108-V552 WeakPolarHBondContact O-CG2 3.49Å; D108-V552 PolarHBondContact O-N 3.02Å; T110-V552 HydrophobicContact CG2-CG2 4.09Å; K550-V552 PolarHBondContact O-N 3.43Å
553	L	92	Very high	94.2	Very high	15 Å²	15	55 Å²	55	8%	0.079	29%	0.286	C	S	.	.	S	Bend	trans	-124.5	100.9	179	-168.3	65.1	0	0	0	109.9	F104 L551 V557 L558	F104-L553 HydrophobicContact CB-CD2 3.74Å; F104-L553 HydrophobicContact CB-CG 4.44Å; F104-L553 HydrophobicContact CD2-CD2 4.37Å; F104-L553 HydrophobicContact CD2-CG 4.18Å; F104-L553 WeakPolarHBondContact CD2-O 3.48Å; L551-L553 VanDerWaalsContact C-N 3.32Å; L553-V557 HydrophobicContact CD1-CB 3.86Å; L553-V557 HydrophobicContact CD1-CG1 3.46Å; L553-V557 VanDerWaalsContact CD1-CG1 3.46Å; L553-L558 HydrophobicContact CD2-CD1 4.13Å; L553-L558 HydrophobicContact CG-CB 4.36Å
554	S	93.3	Very high	94.3	Very high	10 Å²	10	56.1 Å²	56.1	7%	0.07	30%	0.3	C	S	.	.			trans	-83.1	168.8	171.9	68.8	0	0	0	0	111.4	Y556 V557 L558	S554-Y556 VanDerWaalsContact C-N 3.28Å; S554-Y556 PolarHBondContact O-N 3.26Å; S554-Y556 WeakPolarHBondContact OG-CD1 3.43Å; S554-Y556 VanDerWaalsContact OG-CD2 3.32Å; S554-Y556 WeakPolarHBondContact OG-CD2 3.16Å; S554-Y556 WeakPolarHBondContact OG-CE1 3.44Å; S554-Y556 WeakPolarHBondContact OG-CE2 3.09Å; S554-V557 PolarHBondContact O-N 2.88Å; S554-V557 VanDerWaalsContact O-N 3.16Å; S554-V557 VanDerWaalsContact OG-CG2 3.3Å; S554-V557 WeakPolarHBondContact OG-CG2 3.34Å; S554-V557 PolarHBondContact OG-N 3.23Å; S554-L558 WeakPolarHBondContact O-CB 3.49Å; S554-L558 PolarHBondContact O-N 3.12Å
555	L	92.9	Very high	94.3	Very high	112 Å²	112	58.2 Å²	58.2	59%	0.586	31%	0.311	S	S	*	.	H	α-helix	trans	-59.3	-38.2	176.7	-176.4	63.5	0	0	0	112.7	F104 L558 T559	F104-L555 HydrophobicContact CZ-CB 4.49Å; F104-L555 HydrophobicContact CZ-CD1 4.29Å; L555-L558 PolarHBondContact O-N 2.91Å; L555-T559 HydrophobicContact CD1-CG2 4.49Å; L555-T559 WeakPolarHBondContact O-CG2 3.27Å; L555-T559 PolarHBondContact O-N 3.29Å; L555-T559 PolarHBondContact O-OG1 3.47Å
556	Y	94.2	Very high	94.1	Very high	177 Å²	177	57.6 Å²	57.6	69%	0.694	31%	0.309	S	S	*	.	H	α-helix	trans	-69.6	-36.6	177	61.3	-95.2	0	0	0	112.1	S554 T559 S560	S554-Y556 VanDerWaalsContact C-N 3.28Å; S554-Y556 PolarHBondContact O-N 3.26Å; S554-Y556 WeakPolarHBondContact OG-CD1 3.43Å; S554-Y556 VanDerWaalsContact OG-CD2 3.32Å; S554-Y556 WeakPolarHBondContact OG-CD2 3.16Å; S554-Y556 WeakPolarHBondContact OG-CE1 3.44Å; S554-Y556 WeakPolarHBondContact OG-CE2 3.09Å; Y556-T559 WeakPolarHBondContact CA-OG1 3.33Å; Y556-T559 PolarHBondContact O-OG1 2.83Å; Y556-T559 VanDerWaalsContact O-OG1 3.05Å; Y556-S560 VanDerWaalsContact O-CB 3.22Å; Y556-S560 WeakPolarHBondContact O-CB 3.41Å; Y556-S560 PolarHBondContact O-N 3.49Å
557	V	93.2	Very high	93.8	Very high	38 Å²	38	59.3 Å²	59.3	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-70.6	-39.5	174.3	-178.7	0	0	0	0	110.4	L553 S554 S560 R561	L553-V557 HydrophobicContact CD1-CB 3.86Å; L553-V557 HydrophobicContact CD1-CG1 3.46Å; L553-V557 VanDerWaalsContact CD1-CG1 3.46Å; S554-V557 PolarHBondContact O-N 2.88Å; S554-V557 VanDerWaalsContact O-N 3.16Å; S554-V557 VanDerWaalsContact OG-CG2 3.3Å; S554-V557 WeakPolarHBondContact OG-CG2 3.34Å; S554-V557 PolarHBondContact OG-N 3.23Å; V557-S560 PolarHBondContact O-N 3.39Å; V557-R561 HydrophobicContact CG1-CG 4.25Å; V557-R561 WeakPolarHBondContact O-CB 3.21Å; V557-R561 VanDerWaalsContact O-CG 3.31Å; V557-R561 WeakPolarHBondContact O-CG 3.49Å; V557-R561 PolarHBondContact O-N 3.4Å
558	L	94.3	Very high	93.5	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-54	176.5	177.5	68.5	0	0	0	111.1	L100 F104 L553 S554 L555 S560 R561 I562	L100-L558 HydrophobicContact CB-CD1 4.17Å; F104-L558 HydrophobicContact CB-CD1 4.15Å; F104-L558 HydrophobicContact CB-CD2 4.13Å; F104-L558 HydrophobicContact CD1-CD2 3.79Å; F104-L558 HydrophobicContact CD2-CB 4.21Å; F104-L558 HydrophobicContact CD2-CD2 3.93Å; F104-L558 HydrophobicContact CE1-CD2 4.14Å; F104-L558 HydrophobicContact CE2-CD2 4.27Å; F104-L558 HydrophobicContact CG-CD2 3.67Å; F104-L558 HydrophobicContact CG-CG 4.49Å; F104-L558 HydrophobicContact CZ-CD2 4.37Å; L553-L558 HydrophobicContact CD2-CD1 4.13Å; L553-L558 HydrophobicContact CG-CB 4.36Å; S554-L558 WeakPolarHBondContact O-CB 3.49Å; S554-L558 PolarHBondContact O-N 3.12Å; L555-L558 PolarHBondContact O-N 2.91Å; L558-S560 VanDerWaalsContact C-N 3.32Å; L558-S560 PolarHBondContact O-N 2.85Å; L558-R561 PolarHBondContact O-N 2.95Å; L558-I562 HydrophobicContact CD1-CD1 3.83Å; L558-I562 HydrophobicContact CD1-CG1 4.26Å; L558-I562 HydrophobicContact CD2-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 3.83Å; L558-I562 WeakPolarHBondContact O-CG1 3.48Å; L558-I562 PolarHBondContact O-N 3.27Å
559	T	92.7	Very high	93.1	Very high	81 Å²	81	61.9 Å²	61.9	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-40.6	179.8	48.8	0	0	0	0	111.9	L555 Y556 G563	L555-T559 HydrophobicContact CD1-CG2 4.49Å; L555-T559 WeakPolarHBondContact O-CG2 3.27Å; L555-T559 PolarHBondContact O-N 3.29Å; L555-T559 PolarHBondContact O-OG1 3.47Å; Y556-T559 WeakPolarHBondContact CA-OG1 3.33Å; Y556-T559 PolarHBondContact O-OG1 2.83Å; Y556-T559 VanDerWaalsContact O-OG1 3.05Å; T559-G563 PolarHBondContact O-N 3.17Å
560	S	94	Very high	92.6	Very high	85 Å²	85	60.3 Å²	60.3	59%	0.594	34%	0.336	S	S	*	.	H	α-helix	trans	-61.4	-45.5	174	178.6	0	0	0	0	112.6	Y556 V557 L558 G563 G564	Y556-S560 VanDerWaalsContact O-CB 3.22Å; Y556-S560 WeakPolarHBondContact O-CB 3.41Å; Y556-S560 PolarHBondContact O-N 3.49Å; V557-S560 PolarHBondContact O-N 3.39Å; L558-S560 VanDerWaalsContact C-N 3.32Å; L558-S560 PolarHBondContact O-N 2.85Å; S560-G563 PolarHBondContact O-N 3.49Å; S560-G564 PolarHBondContact O-N 2.93Å
561	R	94.8	Very high	92.2	Very high	126 Å²	126	55.7 Å²	55.7	48%	0.475	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-41.4	178.6	-73.5	-177.1	-175.9	-166.5	3.3	112.4	L100 V557 L558 G564 L565	L100-R561 HydrophobicContact CD1-CB 4.02Å; V557-R561 HydrophobicContact CG1-CG 4.25Å; V557-R561 WeakPolarHBondContact O-CB 3.21Å; V557-R561 VanDerWaalsContact O-CG 3.31Å; V557-R561 WeakPolarHBondContact O-CG 3.49Å; V557-R561 PolarHBondContact O-N 3.4Å; L558-R561 PolarHBondContact O-N 2.95Å; R561-G564 PolarHBondContact O-N 2.76Å; R561-L565 WeakPolarHBondContact O-CG 3.24Å; R561-L565 PolarHBondContact O-N 3.45Å
562	I	94	Very high	91.7	Very high	43 Å²	43	54.4 Å²	54.4	22%	0.221	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-47.6	174.4	-67.7	173	0	0	0	110	T97 L558 G564 L565 C566	T97-I562 HydrophobicContact CG2-CG1 4.31Å; T97-I562 HydrophobicContact CG2-CG2 4.19Å; L558-I562 HydrophobicContact CD1-CD1 3.83Å; L558-I562 HydrophobicContact CD1-CG1 4.26Å; L558-I562 HydrophobicContact CD2-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 3.83Å; L558-I562 WeakPolarHBondContact O-CG1 3.48Å; L558-I562 PolarHBondContact O-N 3.27Å; I562-G564 VanDerWaalsContact C-N 3.31Å; I562-G564 PolarHBondContact O-N 3.43Å; I562-L565 PolarHBondContact O-N 3.22Å; I562-C566 WeakPolarHBondContact O-CB 3.17Å; I562-C566 PolarHBondContact O-N 3.37Å; I562-C566 PolarHBondContact O-SG 2.94Å
563	G	92.2	Very high	91.4	Very high	38 Å²	38	54.1 Å²	54.1	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-40.8	176.3	0	0	0	0	0	112.9	T559 S560 C566 S567	T559-G563 PolarHBondContact O-N 3.17Å; S560-G563 PolarHBondContact O-N 3.49Å; G563-C566 PolarHBondContact O-N 2.81Å; G563-S567 WeakPolarHBondContact O-CB 3.46Å; G563-S567 PolarHBondContact O-N 2.84Å
564	G	92.9	Very high	91	Very high	36 Å²	36	57.3 Å²	57.3	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-47.5	172.9	0	0	0	0	0	112.7	S560 R561 I562 C566 S567 V568	S560-G564 PolarHBondContact O-N 2.93Å; R561-G564 PolarHBondContact O-N 2.76Å; I562-G564 VanDerWaalsContact C-N 3.31Å; I562-G564 PolarHBondContact O-N 3.43Å; G564-C566 PolarHBondContact O-N 3.01Å; G564-S567 PolarHBondContact O-N 3.46Å; G564-V568 WeakPolarHBondContact O-CB 3.3Å; G564-V568 VanDerWaalsContact O-CG2 3.27Å; G564-V568 WeakPolarHBondContact O-CG2 3.43Å; G564-V568 PolarHBondContact O-N 3.28Å
565	L	93.1	Very high	90.5	Very high	43 Å²	43	59.2 Å²	59.2	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-44.9	176.2	-74.9	170.1	0	0	0	112	L93 T97 L100 R561 I562 S567 V568 T569	L93-L565 HydrophobicContact CD1-CB 3.74Å; T97-L565 HydrophobicContact CG2-CD1 4.21Å; L100-L565 HydrophobicContact CD1-CD1 3.37Å; R561-L565 WeakPolarHBondContact O-CG 3.24Å; R561-L565 PolarHBondContact O-N 3.45Å; I562-L565 PolarHBondContact O-N 3.22Å; L565-S567 VanDerWaalsContact C-N 3.33Å; L565-S567 PolarHBondContact O-N 3.22Å; L565-V568 PolarHBondContact O-N 3.48Å; L565-T569 WeakPolarHBondContact O-CB 3.1Å; L565-T569 WeakPolarHBondContact O-CG2 3.43Å; L565-T569 PolarHBondContact O-N 3.22Å; L565-T569 PolarHBondContact O-OG1 3.28Å
566	C	92	Very high	90.2	Very high	18 Å²	18	55.4 Å²	55.4	12%	0.122	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-44.2	176.5	-72.8	0	0	0	0	111.9	I562 G563 G564 I570 G571 L572	I562-C566 WeakPolarHBondContact O-CB 3.17Å; I562-C566 PolarHBondContact O-N 3.37Å; I562-C566 PolarHBondContact O-SG 2.94Å; G563-C566 PolarHBondContact O-N 2.81Å; G564-C566 PolarHBondContact O-N 3.01Å; C566-I570 PolarHBondContact O-N 3.25Å; C566-G571 WeakPolarHBondContact O-CA 3.38Å; C566-G571 PolarHBondContact O-N 3.4Å; C566-L572 HydrophobicContact CB-CB 4.1Å; C566-L572 WeakPolarHBondContact CB-O 3.33Å; C566-L572 PolarHBondContact O-N 3.1Å
567	S	90.5	Very high	89.7	Confident	54 Å²	54	53.1 Å²	53.1	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-39.3	178.4	-175.3	0	0	0	0	113.5	R66 G563 G564 L565 G571	R66-S567 PolarHBondContact NH1-O 3.35Å; G563-S567 WeakPolarHBondContact O-CB 3.46Å; G563-S567 PolarHBondContact O-N 2.84Å; G564-S567 PolarHBondContact O-N 3.46Å; L565-S567 VanDerWaalsContact C-N 3.33Å; L565-S567 PolarHBondContact O-N 3.22Å; S567-G571 WeakPolarHBondContact O-CA 3.48Å; S567-G571 PolarHBondContact O-N 2.91Å
568	V	89.9	Confident	89.3	Confident	114 Å²	114	56.1 Å²	56.1	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-73.4	-43.3	-178	170.4	0	0	0	0	112.1	G564 L565	G564-V568 WeakPolarHBondContact O-CB 3.3Å; G564-V568 VanDerWaalsContact O-CG2 3.27Å; G564-V568 WeakPolarHBondContact O-CG2 3.43Å; G564-V568 PolarHBondContact O-N 3.28Å; L565-V568 PolarHBondContact O-N 3.48Å
569	T	90.4	Very high	88.9	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-76.8	-66.1	-174.5	51.7	0	0	0	0	112.4	M89 L93 L565	M89-T569 HydrophobicContact SD-CG2 4.43Å; L93-T569 HydrophobicContact CB-CG2 4.23Å; L565-T569 WeakPolarHBondContact O-CB 3.1Å; L565-T569 WeakPolarHBondContact O-CG2 3.43Å; L565-T569 PolarHBondContact O-N 3.22Å; L565-T569 PolarHBondContact O-OG1 3.28Å
570	I	86.9	Confident	88.5	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.046	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-8.5	-170.4	-68	161.2	0	0	0	111.9	V65 R66 M89 T90 L93 C566 L572	V65-I570 HydrophobicContact CB-CG2 4.05Å; V65-I570 HydrophobicContact CG1-CG2 3.43Å; V65-I570 VanDerWaalsContact CG1-CG2 3.43Å; V65-I570 HydrophobicContact CG2-CG2 4.12Å; R66-I570 VanDerWaalsContact CB-O 3.27Å; R66-I570 WeakPolarHBondContact CB-O 3.48Å; R66-I570 WeakPolarHBondContact CG-O 3.3Å; R66-I570 PolarHBondContact N-O 2.99Å; M89-I570 HydrophobicContact CB-CG1 4.1Å; T90-I570 HydrophobicContact CG2-CD1 3.25Å; T90-I570 HydrophobicContact CG2-CG1 4.34Å; L93-I570 HydrophobicContact CD2-CD1 4.03Å; C566-I570 PolarHBondContact O-N 3.25Å; I570-L572 VanDerWaalsContact C-N 3.29Å
571	G	85.3	Confident	88.2	Confident	8 Å²	8	58.2 Å²	58.2	8%	0.082	35%	0.345	C	S	.	.			trans	72.6	24.9	-173.9	0	0	0	0	0	112.7	C566 S567 T573	C566-G571 WeakPolarHBondContact O-CA 3.38Å; C566-G571 PolarHBondContact O-N 3.4Å; S567-G571 WeakPolarHBondContact O-CA 3.48Å; S567-G571 PolarHBondContact O-N 2.91Å; G571-T573 PolarHBondContact O-N 3.39Å
572	L	84.4	Confident	87.7	Confident	36 Å²	36	57.8 Å²	57.8	19%	0.188	35%	0.348	C	S	.	.			trans	-72.7	123.9	-179.7	-165.9	155.9	0	0	0	109.1	C566 I570 F576	C566-L572 HydrophobicContact CB-CB 4.1Å; C566-L572 WeakPolarHBondContact CB-O 3.33Å; C566-L572 PolarHBondContact O-N 3.1Å; I570-L572 VanDerWaalsContact C-N 3.29Å; L572-F576 HydrophobicContact CD1-CD1 3.62Å; L572-F576 HydrophobicContact CD1-CE1 3.9Å; L572-F576 HydrophobicContact CD1-CG 3.99Å; L572-F576 HydrophobicContact CD1-CZ 4.49Å; L572-F576 HydrophobicContact CD2-CB 4.08Å; L572-F576 HydrophobicContact CD2-CD1 4.08Å; L572-F576 HydrophobicContact CD2-CG 4.33Å; L572-F576 HydrophobicContact CG-CB 3.81Å; L572-F576 HydrophobicContact CG-CD1 3.8Å; L572-F576 HydrophobicContact CG-CG 3.8Å
573	T	86.3	Confident	87.2	Confident	72 Å²	72	57.9 Å²	57.9	44%	0.442	35%	0.347	S	S	.	.			trans	-118.6	173.7	175	66.3	0	0	0	0	109.7	G571 A575 F576	G571-T573 PolarHBondContact O-N 3.39Å; T573-A575 PolarHBondContact O-N 3.27Å; T573-A575 VanDerWaalsContact O-N 3.08Å; T573-A575 WeakPolarHBondContact OG1-CB 3.41Å; T573-A575 PolarHBondContact OG1-N 2.82Å; T573-F576 VanDerWaalsContact O-CB 3.28Å; T573-F576 WeakPolarHBondContact O-CB 3.17Å; T573-F576 PolarHBondContact O-N 2.67Å
574	A	82.8	Confident	86.8	Confident	82 Å²	82	58.6 Å²	58.6	68%	0.678	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.8	174.7	0	0	0	0	0	113.1	F576 F577	A574-F576 PolarHBondContact O-N 2.87Å; A574-F577 PolarHBondContact O-N 3.24Å
575	A	84	Confident	86.4	Confident	49 Å²	49	63.7 Å²	63.7	41%	0.405	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-29.4	175.4	0	0	0	0	0	113	T573 F577 V578 E579	T573-A575 PolarHBondContact O-N 3.27Å; T573-A575 VanDerWaalsContact O-N 3.08Å; T573-A575 WeakPolarHBondContact OG1-CB 3.41Å; T573-A575 PolarHBondContact OG1-N 2.82Å; A575-F577 PolarHBondContact O-N 3.23Å; A575-V578 WeakPolarHBondContact O-CA 3.49Å; A575-V578 WeakPolarHBondContact O-CB 3.27Å; A575-V578 PolarHBondContact O-N 3.5Å; A575-E579 PolarHBondContact O-N 3.35Å
576	F	85.4	Confident	85.8	Confident	32 Å²	32	64.4 Å²	64.4	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-34.1	176.2	174.2	-100.1	0	0	0	112.5	F59 V65 L572 T573 A574 V578 E579 L580	F59-F576 AromaticContact CZ-CE2 3.91Å; F59-F576 HydrophobicContact CZ-CE2 3.91Å; V65-F576 HydrophobicContact CG2-CD2 3.55Å; V65-F576 HydrophobicContact CG2-CE2 3.42Å; V65-F576 VanDerWaalsContact CG2-CE2 3.42Å; V65-F576 HydrophobicContact CG2-CZ 4.41Å; L572-F576 HydrophobicContact CD1-CD1 3.62Å; L572-F576 HydrophobicContact CD1-CE1 3.9Å; L572-F576 HydrophobicContact CD1-CG 3.99Å; L572-F576 HydrophobicContact CD1-CZ 4.49Å; L572-F576 HydrophobicContact CD2-CB 4.08Å; L572-F576 HydrophobicContact CD2-CD1 4.08Å; L572-F576 HydrophobicContact CD2-CG 4.33Å; L572-F576 HydrophobicContact CG-CB 3.81Å; L572-F576 HydrophobicContact CG-CD1 3.8Å; L572-F576 HydrophobicContact CG-CG 3.8Å; T573-F576 VanDerWaalsContact O-CB 3.28Å; T573-F576 WeakPolarHBondContact O-CB 3.17Å; T573-F576 PolarHBondContact O-N 2.67Å; A574-F576 PolarHBondContact O-N 2.87Å; F576-V578 VanDerWaalsContact C-N 3.29Å; F576-V578 PolarHBondContact O-N 3.3Å; F576-E579 PolarHBondContact O-N 3.27Å; F576-L580 HydrophobicContact CE1-CD1 3.87Å; F576-L580 HydrophobicContact CZ-CD1 3.86Å; F576-L580 WeakPolarHBondContact O-CB 3.46Å; F576-L580 PolarHBondContact O-N 3.41Å
577	F	83.6	Confident	85.2	Confident	130 Å²	130	66.3 Å²	66.3	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-65.3	-35.9	176	-71.2	-76	0	0	0	111.7	A574 A575 L580 L581	A574-F577 PolarHBondContact O-N 3.24Å; A575-F577 PolarHBondContact O-N 3.23Å; F577-L580 PolarHBondContact O-N 2.84Å; F577-L581 WeakPolarHBondContact O-CB 3.45Å; F577-L581 VanDerWaalsContact O-CG 3.29Å; F577-L581 WeakPolarHBondContact O-CG 3.31Å; F577-L581 PolarHBondContact O-N 3.49Å
578	V	86.2	Confident	84.7	Confident	100 Å²	100	72.1 Å²	72.1	61%	0.606	38%	0.382	S	S	*	.	H	α-helix	trans	-68.9	-43.9	174.9	-176.2	0	0	0	0	110.3	A575 F576 L580 L581 E582	A575-V578 WeakPolarHBondContact O-CA 3.49Å; A575-V578 WeakPolarHBondContact O-CB 3.27Å; A575-V578 PolarHBondContact O-N 3.5Å; F576-V578 VanDerWaalsContact C-N 3.29Å; F576-V578 PolarHBondContact O-N 3.3Å; V578-L580 VanDerWaalsContact C-N 3.29Å; V578-L580 PolarHBondContact O-N 3.43Å; V578-L581 PolarHBondContact O-N 3.18Å; V578-E582 WeakPolarHBondContact O-CB 3.29Å; V578-E582 PolarHBondContact O-N 2.9Å
579	E	85.6	Confident	84.1	Confident	34 Å²	34	71.8 Å²	71.8	16%	0.159	37%	0.371	C	S	.	.	H	α-helix	trans	-58.9	-39.4	174.5	-65.8	168.3	-158.2	0	0	112.1	F59 T63 S64 A575 F576 E582 F583	F59-E579 HydrophobicContact CE2-CB 4.37Å; T63-E579 WeakPolarHBondContact CA-OE2 3.32Å; T63-E579 WeakPolarHBondContact CB-OE2 3.38Å; T63-E579 PolarHBondContact OG1-OE2 3.41Å; S64-E579 WeakPolarHBondContact CB-OE1 3.32Å; S64-E579 PolarHBondContact N-OE1 3.5Å; S64-E579 VanDerWaalsContact N-OE1 3.12Å; S64-E579 PolarHBondContact N-OE2 2.93Å; S64-E579 VanDerWaalsContact OG-CD 3.25Å; S64-E579 PolarHBondContact OG-OE1 3.4Å; S64-E579 PolarHBondContact OG-OE2 3.49Å; S64-E579 VanDerWaalsContact OG-OE2 3.12Å; A575-E579 PolarHBondContact O-N 3.35Å; F576-E579 PolarHBondContact O-N 3.27Å; E579-E582 PolarHBondContact O-N 3.38Å; E579-F583 WeakPolarHBondContact O-CB 3.39Å; E579-F583 PolarHBondContact O-N 2.9Å
580	L	84.8	Confident	82.7	Confident	70 Å²	70	74.1 Å²	74.1	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-71.4	-36.8	178.9	-173.2	137.6	0	0	0	112.1	F576 F577 V578 S584	F576-L580 HydrophobicContact CE1-CD1 3.87Å; F576-L580 HydrophobicContact CZ-CD1 3.86Å; F576-L580 WeakPolarHBondContact O-CB 3.46Å; F576-L580 PolarHBondContact O-N 3.41Å; F577-L580 PolarHBondContact O-N 2.84Å; V578-L580 VanDerWaalsContact C-N 3.29Å; V578-L580 PolarHBondContact O-N 3.43Å; L580-S584 WeakPolarHBondContact O-CB 3.3Å; L580-S584 PolarHBondContact O-N 3.44Å; L580-S584 PolarHBondContact O-OG 2.99Å
581	L	86.8	Confident	81.3	Confident	120 Å²	120	75.8 Å²	75.8	63%	0.628	40%	0.403	S	S	*	.	H	α-helix	trans	-67.3	-42.3	172.2	-73.4	173.5	0	0	0	111.4	F577 V578 S584 Y585	F577-L581 WeakPolarHBondContact O-CB 3.45Å; F577-L581 VanDerWaalsContact O-CG 3.29Å; F577-L581 WeakPolarHBondContact O-CG 3.31Å; F577-L581 PolarHBondContact O-N 3.49Å; V578-L581 PolarHBondContact O-N 3.18Å; L581-S584 PolarHBondContact O-N 2.9Å; L581-Y585 VanDerWaalsContact O-CB 3.25Å; L581-Y585 WeakPolarHBondContact O-CB 3.46Å; L581-Y585 PolarHBondContact O-N 3.03Å
582	E	85.3	Confident	79.9	Confident	116 Å²	116	77.8 Å²	77.8	54%	0.542	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-47.1	173.7	-176.7	-178.3	-175.6	0	0	110.8	V578 E579 S584 Y585 L586	V578-E582 WeakPolarHBondContact O-CB 3.29Å; V578-E582 PolarHBondContact O-N 2.9Å; E579-E582 PolarHBondContact O-N 3.38Å; E582-S584 PolarHBondContact O-N 3.42Å; E582-Y585 PolarHBondContact O-N 2.98Å; E582-L586 HydrophobicContact CG-CD1 4.22Å; E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 VanDerWaalsContact O-CG 3.28Å; E582-L586 WeakPolarHBondContact O-CG 3.26Å; E582-L586 PolarHBondContact O-N 2.83Å
583	F	83	Confident	78.3	Confident	46 Å²	46	81.4 Å²	81.4	20%	0.202	44%	0.435	C	S	.	.	H	α-helix	trans	-60	-45.8	175.7	178.9	-110	0	0	0	112.4	A55 F59 E579 Y585 L586 L587	A55-F583 HydrophobicContact CB-CE2 4.22Å; F59-F583 HydrophobicContact CB-CD2 3.67Å; F59-F583 HydrophobicContact CB-CE2 3.92Å; F59-F583 HydrophobicContact CB-CG 4.41Å; F59-F583 HydrophobicContact CD2-CB 3.73Å; F59-F583 AromaticContact CD2-CD2 3.97Å; F59-F583 HydrophobicContact CD2-CD2 3.97Å; F59-F583 AromaticContact CD2-CG 3.86Å; F59-F583 HydrophobicContact CD2-CG 3.86Å; F59-F583 HydrophobicContact CE2-CB 4.1Å; F59-F583 HydrophobicContact CE2-CG 4.39Å; F59-F583 AromaticContact CG-CD2 3.95Å; F59-F583 HydrophobicContact CG-CD2 3.95Å; F59-F583 HydrophobicContact CG-CE2 4.34Å; F59-F583 HydrophobicContact CG-CG 4.2Å; E579-F583 WeakPolarHBondContact O-CB 3.39Å; E579-F583 PolarHBondContact O-N 2.9Å; F583-Y585 VanDerWaalsContact C-N 3.34Å; F583-Y585 PolarHBondContact O-N 3.35Å; F583-L586 PolarHBondContact O-N 3.45Å; F583-L587 HydrophobicContact CD1-CD1 3.87Å; F583-L587 HydrophobicContact CE1-CD1 3.37Å; F583-L587 HydrophobicContact CE1-CG 4.24Å; F583-L587 HydrophobicContact CE2-CD1 4.31Å; F583-L587 HydrophobicContact CE2-CG 4.36Å; F583-L587 HydrophobicContact CZ-CD1 3.63Å; F583-L587 HydrophobicContact CZ-CD2 4.38Å; F583-L587 HydrophobicContact CZ-CG 4.13Å; F583-L587 WeakPolarHBondContact O-CG 3.46Å; F583-L587 PolarHBondContact O-N 3.01Å
584	S	84.1	Confident	76.6	Confident	53 Å²	53	84.6 Å²	84.6	37%	0.371	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-38.8	178.4	-57.8	0	0	0	0	111.8	L580 L581 E582 L587 Y588	L580-S584 WeakPolarHBondContact O-CB 3.3Å; L580-S584 PolarHBondContact O-N 3.44Å; L580-S584 PolarHBondContact O-OG 2.99Å; L581-S584 PolarHBondContact O-N 2.9Å; E582-S584 PolarHBondContact O-N 3.42Å; S584-L587 PolarHBondContact O-N 3.22Å; S584-Y588 WeakPolarHBondContact O-CB 3.44Å; S584-Y588 PolarHBondContact O-N 3.05Å
585	Y	84.3	Confident	75	Confident	143 Å²	143	87.6 Å²	87.6	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-64.6	-45.1	175.4	173.8	-103	0	0	0	111.8	L581 E582 F583 L587 Y588 K589	L581-Y585 VanDerWaalsContact O-CB 3.25Å; L581-Y585 WeakPolarHBondContact O-CB 3.46Å; L581-Y585 PolarHBondContact O-N 3.03Å; E582-Y585 PolarHBondContact O-N 2.98Å; F583-Y585 VanDerWaalsContact C-N 3.34Å; F583-Y585 PolarHBondContact O-N 3.35Å; Y585-L587 VanDerWaalsContact C-N 3.31Å; Y585-L587 PolarHBondContact O-N 3.13Å; Y585-Y588 PolarHBondContact O-N 3.04Å; Y585-K589 WeakPolarHBondContact O-CB 3.5Å; Y585-K589 PolarHBondContact O-N 3.45Å
586	L	80.3	Confident	73	Confident	58 Å²	58	90.7 Å²	90.7	30%	0.304	46%	0.464	S	S	.	.	H	α-helix	trans	-62.8	-37.3	175.4	-70.2	172.9	0	0	0	111.9	L58 E582 F583 N590	L58-L586 HydrophobicContact CD2-CD1 4.18Å; E582-L586 HydrophobicContact CG-CD1 4.22Å; E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 VanDerWaalsContact O-CG 3.28Å; E582-L586 WeakPolarHBondContact O-CG 3.26Å; E582-L586 PolarHBondContact O-N 2.83Å; F583-L586 PolarHBondContact O-N 3.45Å; L586-N590 PolarHBondContact O-N 3.48Å
587	L	79.4	Confident	70.7	Confident	58 Å²	58	93.1 Å²	93.1	30%	0.304	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-45.5	173.4	-74.7	176.4	0	0	0	112.2	L52 A55 F583 S584 Y585 N590 G591	L52-L587 HydrophobicContact CD1-CD2 3.71Å; A55-L587 HydrophobicContact CB-CD2 4.39Å; F583-L587 HydrophobicContact CD1-CD1 3.87Å; F583-L587 HydrophobicContact CE1-CD1 3.37Å; F583-L587 HydrophobicContact CE1-CG 4.24Å; F583-L587 HydrophobicContact CE2-CD1 4.31Å; F583-L587 HydrophobicContact CE2-CG 4.36Å; F583-L587 HydrophobicContact CZ-CD1 3.63Å; F583-L587 HydrophobicContact CZ-CD2 4.38Å; F583-L587 HydrophobicContact CZ-CG 4.13Å; F583-L587 WeakPolarHBondContact O-CG 3.46Å; F583-L587 PolarHBondContact O-N 3.01Å; S584-L587 PolarHBondContact O-N 3.22Å; Y585-L587 VanDerWaalsContact C-N 3.31Å; Y585-L587 PolarHBondContact O-N 3.13Å; L587-N590 PolarHBondContact O-N 3.27Å; L587-G591 PolarHBondContact O-N 3.19Å
588	Y	80.5	Confident	68.2	Low	175 Å²	175	94.9 Å²	94.9	69%	0.686	50%	0.501	S	S	*	.	H	α-helix	trans	-66.3	-42.6	-179.9	-176	-97.8	0	0	0	112.2	S584 Y585 N590 G591 S592	S584-Y588 WeakPolarHBondContact O-CB 3.44Å; S584-Y588 PolarHBondContact O-N 3.05Å; Y585-Y588 PolarHBondContact O-N 3.04Å; Y588-N590 VanDerWaalsContact C-N 3.27Å; Y588-N590 PolarHBondContact O-N 3.15Å; Y588-G591 PolarHBondContact O-N 3.47Å; Y588-G591 VanDerWaalsContact O-N 3.13Å; Y588-S592 WeakPolarHBondContact O-CB 3.38Å; Y588-S592 PolarHBondContact O-N 3.26Å
589	K	76.1	Confident	65.9	Low	107 Å²	107	96.6 Å²	96.6	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-37.5	176.8	-172.4	172.9	179.3	177	0	111.8	Y585 N593	Y585-K589 WeakPolarHBondContact O-CB 3.5Å; Y585-K589 PolarHBondContact O-N 3.45Å; K589-N593 PolarHBondContact O-N 3.03Å
590	N	61.9	Low	63.2	Low	58 Å²	58	105 Å²	105	31%	0.31	54%	0.541	S	S	.	.	H	α-helix	trans	-69.2	-38.5	173.4	-88	5.1	0	0	0	112.8	L586 L587 Y588 S592	L586-N590 PolarHBondContact O-N 3.48Å; L587-N590 PolarHBondContact O-N 3.27Å; Y588-N590 VanDerWaalsContact C-N 3.27Å; Y588-N590 PolarHBondContact O-N 3.15Å; N590-S592 VanDerWaalsContact C-N 3.33Å; N590-S592 PolarHBondContact O-N 3.3Å
591	G	58.1	Low	60.8	Low	44 Å²	44	106.1 Å²	106.1	45%	0.454	56%	0.555	S	S	.	*	H	α-helix	trans	-69.6	-26.6	176.2	0	0	0	0	0	114.4	L587 Y588	L587-G591 PolarHBondContact O-N 3.19Å; Y588-G591 PolarHBondContact O-N 3.47Å; Y588-G591 VanDerWaalsContact O-N 3.13Å
592	S	54.1	Low	58.1	Low	51 Å²	51	106.4 Å²	106.4	36%	0.357	56%	0.562	S	S	.	*	H	α-helix	trans	-82.1	-33.3	178.9	-163.9	0	0	0	0	112.8	Y588 N590 D594 N595 N596	Y588-S592 WeakPolarHBondContact O-CB 3.38Å; Y588-S592 PolarHBondContact O-N 3.26Å; N590-S592 VanDerWaalsContact C-N 3.33Å; N590-S592 PolarHBondContact O-N 3.3Å; S592-D594 VanDerWaalsContact C-N 3.32Å; S592-D594 PolarHBondContact O-N 3.26Å; S592-N595 PolarHBondContact O-N 2.87Å; S592-N596 PolarHBondContact O-N 3.28Å
593	N	51.6	Low	55.6	Low	111 Å²	111	107.8 Å²	107.8	59%	0.594	57%	0.571	S	S	*	*	H	α-helix	trans	-73.4	-18.6	177.1	-85.9	0.9	0	0	0	114.2	K589 N595	K589-N593 PolarHBondContact O-N 3.03Å; N593-N595 VanDerWaalsContact C-N 3.29Å
594	D	51.1	Low	53.1	Low	139 Å²	139	112 Å²	112	74%	0.743	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-16.1	172.5	-83.7	-16.6	0	0	0	112.8	S592	S592-D594 VanDerWaalsContact C-N 3.32Å; S592-D594 PolarHBondContact O-N 3.26Å
595	N	48	Very low	50.6	Low	145 Å²	145	115.2 Å²	115.2	78%	0.775	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-7.6	-178	-78.5	-23.3	0	0	0	114.9	S592 N593	S592-N595 PolarHBondContact O-N 2.87Å; N593-N595 VanDerWaalsContact C-N 3.29Å
596	N	43.7	Very low	48.1	Very low	115 Å²	115	116.2 Å²	116.2	62%	0.615	62%	0.621	S	S	*	*	S	Bend	trans	-135.2	107	180	-101	-18.9	0	0	0	111.9	S592	S592-N596 PolarHBondContact O-N 3.28Å
597	S	35.4	Very low	45.8	Very low	83 Å²	83	119.6 Å²	119.6	58%	0.58	65%	0.645	S	S	*	*			trans	52.8	113.7	144.5	60.3	0	0	0	0	118.6	I599	S597-I599 VanDerWaalsContact C-N 3.34Å; S597-I599 PolarHBondContact O-N 3.39Å
598	N	32.6	Very low	43.7	Very low	167 Å²	167	123.5 Å²	123.5	89%	0.893	66%	0.661	S	S	*	*				0.9	82.1	115.1	-70.9	-32.9	0	0	0	114.7
599	I	36.9	Very low	41.7	Very low	135 Å²	135	124.1 Å²	124.1	69%	0.692	67%	0.667	S	S	*	*			trans	-155.9	114.5	153	-89.4	129.5	0	0	0	107	S597 S601	S597-I599 VanDerWaalsContact C-N 3.34Å; S597-I599 PolarHBondContact O-N 3.39Å; I599-S601 PolarHBondContact O-N 3.46Å
600	K	29.4	Very low	39.9	Very low	212 Å²	212	123.8 Å²	123.8	92%	0.922	68%	0.678	S	S	*	*			trans	-61.9	110.1	165.5	-73.6	171.3	173.8	175.1	0	108.2
601	S	35	Very low	38.8	Very low	93 Å²	93	125.4 Å²	125.4	65%	0.65	69%	0.685	S	S	*	*			trans	-140.1	96.5	155.8	57.4	0	0	0	0	109.4	I599 I603	I599-S601 PolarHBondContact O-N 3.46Å; S601-I603 PolarHBondContact O-N 2.96Å
602	T	29.7	Very low	37.8	Very low	126 Å²	126	130 Å²	130	77%	0.773	70%	0.695	S	S	*	*			trans	-45.6	108.9	160.3	8.9	0	0	0	0	110.9
603	I	32.6	Very low	37.2	Very low	144 Å²	144	134 Å²	134	74%	0.738	71%	0.711	S	S	*	*			trans	-127.3	98.2	152.8	-59.9	-179.8	0	0	0	105.9	S601 V605	S601-I603 PolarHBondContact O-N 2.96Å; I603-V605 HydrophobicContact CG2-CG2 4.17Å; I603-V605 PolarHBondContact O-N 2.94Å
604	I	31.3	Very low	36.6	Very low	135 Å²	135	133.9 Å²	133.9	69%	0.692	71%	0.711	S	S	*	*			trans	-80.3	105.1	172.9	-64.2	169.8	0	0	0	106.2	Q606	I604-Q606 HydrophobicContact CG2-CB 4.01Å
605	V	31.5	Very low	36.5	Very low	121 Å²	121	132.3 Å²	132.3	73%	0.733	70%	0.699	S	S	*	*			trans	-97.7	99	159.7	-179.7	0	0	0	0	106.3	I603 T607	I603-V605 HydrophobicContact CG2-CG2 4.17Å; I603-V605 PolarHBondContact O-N 2.94Å; V605-T607 PolarHBondContact O-N 3.36Å
606	Q	30	Very low	36.4	Very low	163 Å²	163	129 Å²	129	76%	0.762	68%	0.681	S	S	*	*			trans	-88.8	94.6	-179.4	-170.8	172.5	1.6	0	0	109.1	I604	I604-Q606 HydrophobicContact CG2-CB 4.01Å
607	T	33.9	Very low	36.5	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	68%	0.679	S	S	*	*			trans	-138.3	71.8	159.4	49.5	0	0	0	0	109.4	V605 K609	V605-T607 PolarHBondContact O-N 3.36Å; T607-K609 PolarHBondContact O-N 2.85Å
608	E	34	Very low	37.1	Very low	140 Å²	140	132.1 Å²	132.1	65%	0.654	68%	0.682	S	S	*	*			trans	-88	93	171.8	-76.7	-176.3	158.8	0	0	110.1	Y49	Y49-E608 PolarHBondContact OH-OE1 2.94Å; Y49-E608 VanDerWaalsContact OH-OE1 3.13Å
609	K	38	Very low	37.7	Very low	187 Å²	187	128 Å²	128	81%	0.813	66%	0.663	S	S	*	*			trans	159	127.8	146.7	-90.5	164.7	-177.2	179.5	0	109.5	T607 I611	T607-K609 PolarHBondContact O-N 2.85Å; K609-I611 VanDerWaalsContact C-N 3.31Å; K609-I611 HydrophobicContact CB-CG1 4.35Å; K609-I611 PolarHBondContact O-N 2.8Å
610	C	40	Very low	38.3	Very low	101 Å²	101	128 Å²	128	68%	0.682	66%	0.66	S	S	*	*			trans	-69.6	93.4	162.4	-68.2	0	0	0	0	108.4	C62	C62-C610 PolarHBondContact SG-SG 3.18Å
611	I	38	Very low	39.1	Very low	91 Å²	91	124.9 Å²	124.9	47%	0.467	65%	0.649	S	S	.	*			trans	-71.3	129.7	172.9	-63.6	171.2	0	0	0	107	K609 E615 I616	K609-I611 VanDerWaalsContact C-N 3.31Å; K609-I611 HydrophobicContact CB-CG1 4.35Å; K609-I611 PolarHBondContact O-N 2.8Å; I611-E615 HydrophobicContact CG2-CB 3.38Å; I611-E615 HydrophobicContact CG2-CG 4.46Å; I611-I616 HydrophobicContact CB-CG1 4.48Å; I611-I616 HydrophobicContact CG2-CG1 3.79Å
612	Q	37.9	Very low	39.6	Very low	142 Å²	142	127.8 Å²	127.8	66%	0.664	65%	0.65	S	S	*	*			trans	-64.5	144.1	173.2	-74.2	-151.1	-25.3	0	0	109.3	N614 E615	Q612-N614 PolarHBondContact O-N 3.49Å; Q612-E615 PolarHBondContact O-N 3.46Å
613	L	40.2	Very low	40.2	Very low	133 Å²	133	126.6 Å²	126.6	70%	0.696	64%	0.639	S	S	*	*	H	α-helix	trans	-50.7	-28	-178.4	-153.3	79.3	0	0	0	113.2	E615 I616	L613-E615 PolarHBondContact O-N 2.87Å; L613-I616 PolarHBondContact O-N 3.06Å
614	N	40	Very low	40.8	Very low	109 Å²	109	123 Å²	123	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-68.9	-26.3	176.6	-65.8	-6.7	0	0	0	114.3	Q612	Q612-N614 PolarHBondContact O-N 3.49Å
615	E	47.6	Very low	41.4	Very low	107 Å²	107	120.6 Å²	120.6	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-83.1	-24.9	177.9	-75.6	177.3	158.6	0	0	112	I611 Q612 L613 Q618 T619	I611-E615 HydrophobicContact CG2-CB 3.38Å; I611-E615 HydrophobicContact CG2-CG 4.46Å; Q612-E615 PolarHBondContact O-N 3.46Å; L613-E615 PolarHBondContact O-N 2.87Å; E615-Q618 PolarHBondContact O-N 3.44Å; E615-T619 PolarHBondContact O-N 2.95Å; E615-T619 PolarHBondContact O-OG1 3.44Å
616	I	47.4	Very low	41.8	Very low	75 Å²	75	121.8 Å²	121.8	39%	0.385	62%	0.623	S	S	.	*	H	α-helix	trans	-67.6	-42.6	175.6	-60.3	178.2	0	0	0	110.3	I611 L613 Q618 T619 E620	I611-I616 HydrophobicContact CB-CG1 4.48Å; I611-I616 HydrophobicContact CG2-CG1 3.79Å; L613-I616 PolarHBondContact O-N 3.06Å; I616-Q618 VanDerWaalsContact C-N 3.29Å; I616-Q618 PolarHBondContact O-N 3.29Å; I616-T619 PolarHBondContact O-N 3.46Å; I616-T619 VanDerWaalsContact O-N 3.17Å; I616-E620 PolarHBondContact O-N 3.5Å
617	Q	44.7	Very low	42.3	Very low	126 Å²	126	122 Å²	122	59%	0.589	62%	0.624	S	S	*	*	H	α-helix	trans	-65.2	-30.4	178.3	-68.6	-174.8	-25.9	0	0	113.3
618	Q	47.7	Very low	42.5	Very low	138 Å²	138	125.7 Å²	125.7	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-76.6	-26.9	176.5	-70.6	-175.1	-4.2	0	0	113	E615 I616 K622	E615-Q618 PolarHBondContact O-N 3.44Å; I616-Q618 VanDerWaalsContact C-N 3.29Å; I616-Q618 PolarHBondContact O-N 3.29Å; Q618-K622 PolarHBondContact O-N 3.36Å
619	T	46.2	Very low	42.6	Very low	80 Å²	80	126.5 Å²	126.5	49%	0.491	63%	0.634	S	S	.	*	H	α-helix	trans	-81.5	-32.7	-178.1	-42.6	0	0	0	0	111.3	E615 I616 K622 N623	E615-T619 PolarHBondContact O-N 2.95Å; E615-T619 PolarHBondContact O-OG1 3.44Å; I616-T619 PolarHBondContact O-N 3.46Å; I616-T619 VanDerWaalsContact O-N 3.17Å; T619-K622 PolarHBondContact O-N 3.11Å; T619-N623 PolarHBondContact O-N 2.88Å
620	E	48.5	Very low	42.5	Very low	134 Å²	134	125.4 Å²	125.4	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-70.2	-34.9	174.4	-71.8	-178.9	159.2	0	0	113.1	I616 K622 S624	I616-E620 PolarHBondContact O-N 3.5Å; E620-K622 VanDerWaalsContact C-N 3.32Å; E620-K622 PolarHBondContact O-N 3.19Å; E620-S624 PolarHBondContact O-N 2.82Å; E620-S624 PolarHBondContact O-OG 2.77Å
621	Q	47.4	Very low	42.3	Very low	148 Å²	148	126.2 Å²	126.2	69%	0.692	64%	0.637	S	S	*	*	H	α-helix	trans	-69.8	-26	173.5	-87.5	-178.2	-24.5	0	0	113.8	S624 S625	Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-OG 3.27Å; Q621-S625 PolarHBondContact O-OG 3.11Å
622	K	44.5	Very low	42.1	Very low	154 Å²	154	127.3 Å²	127.3	67%	0.67	65%	0.648	S	S	*	*	H	α-helix	trans	-85.3	-24.9	-179.6	-143.8	175	-175.6	-178.7	0	113.2	Q618 T619 E620 S625	Q618-K622 PolarHBondContact O-N 3.36Å; T619-K622 PolarHBondContact O-N 3.11Å; E620-K622 VanDerWaalsContact C-N 3.32Å; E620-K622 PolarHBondContact O-N 3.19Å; K622-S625 PolarHBondContact O-OG 3.06Å; K622-S625 VanDerWaalsContact O-OG 3.13Å
623	N	43.5	Very low	41.8	Very low	101 Å²	101	127.3 Å²	127.3	54%	0.54	65%	0.653	S	S	.	*	H	α-helix	trans	-87.5	-28.4	175.8	-73.8	-11.7	0	0	0	112.8	T619 S625 L626	T619-N623 PolarHBondContact O-N 2.88Å; N623-S625 VanDerWaalsContact C-N 3.26Å; N623-S625 PolarHBondContact O-N 2.76Å; N623-L626 PolarHBondContact O-N 2.96Å
624	S	45.6	Very low	41.6	Very low	67 Å²	67	126.4 Å²	126.4	47%	0.469	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.3	-16.5	173.5	44.5	0	0	0	0	114.1	E620 Q621	E620-S624 PolarHBondContact O-N 2.82Å; E620-S624 PolarHBondContact O-OG 2.77Å; Q621-S624 WeakPolarHBondContact CA-OG 3.45Å; Q621-S624 PolarHBondContact O-OG 3.27Å
625	S	42.4	Very low	41.3	Very low	85 Å²	85	127 Å²	127	59%	0.594	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-6.6	176.5	39.3	0	0	0	0	114.4	Q621 K622 N623	Q621-S625 PolarHBondContact O-OG 3.11Å; K622-S625 PolarHBondContact O-OG 3.06Å; K622-S625 VanDerWaalsContact O-OG 3.13Å; N623-S625 VanDerWaalsContact C-N 3.26Å; N623-S625 PolarHBondContact O-N 2.76Å
626	L	41.1	Very low	40.7	Very low	146 Å²	146	126.4 Å²	126.4	76%	0.764	67%	0.668	S	S	*	*	S	Bend	trans	-102.4	-3.9	176.9	-97.8	140.9	0	0	0	113.9	N623	N623-L626 PolarHBondContact O-N 2.96Å
627	Q	40.3	Very low	40.3	Very low	168 Å²	168	129.5 Å²	129.5	79%	0.785	69%	0.686	S	S	*	*	S	Bend	trans	-108.3	7.2	-176.8	-111	169	-33.8	0	0	114.8
628	Y	37.8	Very low	40.1	Very low	207 Å²	207	129.6 Å²	129.6	81%	0.812	70%	0.695	S	S	*	*			trans	-104.5	18.3	-173.2	-111.1	-82.2	0	0	0	116
629	N	36.8	Very low	39.6	Very low	158 Å²	158	127.6 Å²	127.6	85%	0.845	70%	0.696	S	S	*	*			trans	-118.1	23.7	-178.2	-93.7	-4.7	0	0	0	115.6
630	I	35.3	Very low	39.3	Very low	164 Å²	164	130.1 Å²	130.1	84%	0.841	71%	0.711	S	S	*	*			trans	-134.1	80.2	168.9	-52.4	178.8	0	0	0	110
631	T	35.9	Very low	38.6	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.724	72%	0.718	S	S	*	*			trans	-42.8	140.4	138.2	18.4	0	0	0	0	109.9
632	T	32.6	Very low	38.2	Very low	114 Å²	114	136.3 Å²	136.3	70%	0.699	74%	0.74	S	S	*	*			cis	-171.7	161.4	38.7	9.9	0	0	0	0	109.8
633	N	33.1	Very low	37.9	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	74%	0.743	S	S	*	*			trans	87.9	125.5	166.6	-56.6	-13.1	0	0	0	114.5
634	T	34.5	Very low	37.6	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	75%	0.754	S	S	*	*			cis	-169.7	132.5	18.6	4.7	0	0	0	0	108.8
635	T	35.4	Very low	37.2	Very low	120 Å²	120	141.2 Å²	141.2	74%	0.736	77%	0.77	S	S	*	*			trans	55.3	118.6	138	53.9	0	0	0	0	123.6
636	S	35	Very low	36.9	Very low	95 Å²	95	144.5 Å²	144.5	66%	0.664	78%	0.78	S	S	*	*				70.7	112.4	124.4	71.5	0	0	0	0	120
637	N	38	Very low	36.6	Very low	141 Å²	141	144.4 Å²	144.4	75%	0.754	78%	0.781	S	S	*	*				159.2	142.2	90.3	-99.4	-16.9	0	0	0	112.3
638	T	39.7	Very low	36.4	Very low	127 Å²	127	142.8 Å²	142.8	78%	0.779	78%	0.781	S	S	*	*			trans	63	138.9	149.3	55.4	0	0	0	0	118.2
639	S	38.6	Very low	36.2	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	78%	0.779	S	S	*	*			cis	176.9	140	1.9	42.4	0	0	0	0	107.1
640	V	39.6	Very low	36.2	Very low	133 Å²	133	136.7 Å²	136.7	81%	0.806	77%	0.774	S	S	*	*			trans	65.2	106.4	142.5	-178.1	0	0	0	0	117.3
641	E	33.5	Very low	36.3	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	77%	0.768	S	S	*	*				58	128.3	77.2	-91.5	-173.4	-179.1	0	0	116.7
642	H	39.5	Very low	36.3	Very low	250 Å²	250	135.9 Å²	135.9	100%	1.157	77%	0.772	S	S	*	*			trans	78.9	0	163.8	-74.8	-62.3	0	0	0	120.6

Retrieved 642 of 642 residues in 214.7 ms (Link to these results)

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