A0A3Q0KMW9_SCHMA Loading...

Polypyrimidine tract binding protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KMW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	31.3	Very low	233 Å²	233	136.7 Å²	136.7	100%	1.148	81%	0.811	S	S	*	*				0	101.5	0	178.2	-174	-77.3	0	0	106.7
2	F	28.6	Very low	31.3	Very low	169 Å²	169	137.6 Å²	137.6	74%	0.741	81%	0.809	S	S	*	*			trans	-128.6	106.9	174.5	-78.4	-78.5	0	0	0	107.2
3	G	28.2	Very low	32.1	Very low	68 Å²	68	142.7 Å²	142.7	70%	0.701	82%	0.815	S	S	*	*			trans	-98.4	110.2	174.5	0	0	0	0	0	108.8	L5	G3-L5 PolarHBondContact O-N 3.13Å
4	V	31.7	Very low	32.5	Very low	117 Å²	117	149 Å²	149	71%	0.709	82%	0.819	S	S	*	*			trans	-74.1	114.3	157.7	180	0	0	0	0	105.9	C6	V4-C6 PolarHBondContact O-N 3.41Å
5	L	30.9	Very low	32.7	Very low	154 Å²	154	151.5 Å²	151.5	81%	0.806	82%	0.819	S	S	*	*			trans	-68.8	112.5	171.7	-84.8	159.4	0	0	0	108.5	G3 P7	G3-L5 PolarHBondContact O-N 3.13Å; L5-P7 WeakPolarHBondContact O-CD 3.5Å
6	C	26.1	Very low	33.1	Very low	109 Å²	109	156.6 Å²	156.6	74%	0.736	82%	0.823	S	S	*	*			trans	-70.9	123.2	160.5	-69.6	0	0	0	0	108.8	V4 S8	V4-C6 PolarHBondContact O-N 3.41Å; C6-S8 PolarHBondContact O-N 3.44Å
7	P	32.7	Very low	33.1	Very low	124 Å²	124	155.5 Å²	155.5	81%	0.805	82%	0.818	S	S	*	*			trans	-81	96.5	157.5	19.3	-4.8	0	0	0	107.9	L5 S9	L5-P7 WeakPolarHBondContact O-CD 3.5Å; P7-S9 PolarHBondContact O-N 3.48Å
8	S	32	Very low	33.6	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	82%	0.815	S	S	*	*			trans	-72.3	96.8	166.9	51.4	0	0	0	0	109.2	C6 M10	C6-S8 PolarHBondContact O-N 3.44Å; S8-M10 PolarHBondContact O-N 3.33Å
9	S	32.6	Very low	33.8	Very low	117 Å²	117	152.7 Å²	152.7	82%	0.818	81%	0.813	S	S	*	*			trans	-81.4	100.9	176.9	-168.7	0	0	0	0	111	P7	P7-S9 PolarHBondContact O-N 3.48Å
10	M	27.9	Very low	34	Very low	177 Å²	177	151.8 Å²	151.8	87%	0.872	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-101.6	128.1	163.5	-80.8	-166.2	173.2	0	0	110.3	S8	S8-M10 PolarHBondContact O-N 3.33Å
11	P	42.1	Very low	34.2	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-93.6	116.3	154.5	31.5	-25.5	0	0	0	110.2
12	N	31.9	Very low	34.4	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-86.7	121.8	-176	-176	-6.1	0	0	0	111.6
13	K	40.6	Very low	34.8	Very low	204 Å²	204	143.2 Å²	143.2	89%	0.887	79%	0.792	S	S	*	*			trans	-145.9	82.9	171	-113	-178.9	-176	179.7	0	115.2
14	R	38.2	Very low	35	Very low	231 Å²	231	146.2 Å²	146.2	87%	0.872	79%	0.792	S	S	*	*			trans	27.5	100.8	139.5	-61.4	179.1	179.1	167.7	-0.5	120.2
15	K	35	Very low	35.1	Very low	187 Å²	187	146.2 Å²	146.2	81%	0.813	79%	0.787	S	S	*	*				42.5	102.1	113.7	-163.1	-178	-172.3	-179.1	0	120.1
16	R	39.1	Very low	35.6	Very low	233 Å²	233	146.6 Å²	146.6	88%	0.879	79%	0.785	S	S	*	*				175.8	122.5	123.2	-97.3	168.8	-78.8	171.8	-7.1	108.3
17	D	34	Very low	36.2	Very low	138 Å²	138	151.4 Å²	151.4	74%	0.738	79%	0.787	S	S	*	*				102.5	145.4	55.3	-136.8	-26.5	0	0	0	112
18	L	41.3	Very low	36.4	Very low	147 Å²	147	152.5 Å²	152.5	77%	0.77	79%	0.786	S	S	*	*			trans	77	123.8	176.6	-75.3	83.9	0	0	0	122.9
19	S	38.1	Very low	36.8	Very low	110 Å²	110	151 Å²	151	77%	0.769	79%	0.788	S	S	*	*			trans	68.2	108.5	138.5	60.1	0	0	0	0	124
20	V	36.9	Very low	37	Very low	134 Å²	134	153.3 Å²	153.3	81%	0.812	79%	0.786	S	S	*	*			trans	-62.5	177.5	143	-122.2	0	0	0	0	110.9
21	P	39.6	Very low	37.5	Very low	106 Å²	106	151.5 Å²	151.5	69%	0.688	78%	0.779	S	S	*	*			cis	-143.5	168.6	-3.5	28.1	-2.8	0	0	0	119.9
22	S	34.6	Very low	37.2	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	77%	0.766	S	S	*	*			trans	75	159.3	139	-68.6	0	0	0	0	124.2
23	I	37.6	Very low	37.4	Very low	162 Å²	162	149.5 Å²	149.5	83%	0.831	77%	0.765	S	S	*	*			trans	81.7	135.2	160.4	-47.6	-172	0	0	0	116
24	N	32.3	Very low	37	Very low	131 Å²	131	146.6 Å²	146.6	70%	0.701	76%	0.759	S	S	*	*			cis	-173.8	171.4	-28.7	-151.8	-10.6	0	0	0	109.3
25	L	33.8	Very low	37	Very low	117 Å²	117	143.8 Å²	143.8	61%	0.613	76%	0.76	S	S	*	*			trans	75.4	134.3	144.6	-75.1	159.1	0	0	0	124.3
26	H	40.4	Very low	36.9	Very low	162 Å²	162	142.9 Å²	142.9	75%	0.75	76%	0.759	S	S	*	*			trans	77.8	144.8	155.9	-55	130.7	0	0	0	118.6
27	R	38.5	Very low	36.5	Very low	210 Å²	210	136.3 Å²	136.3	79%	0.792	75%	0.745	S	S	*	*			cis	-161.8	148.4	10.9	-141.9	-176.8	171	177.9	-2.8	112.2
28	N	38.5	Very low	36.8	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	75%	0.752	S	S	*	*			trans	49.8	132	158	-59	-6.1	0	0	0	118.9
29	G	38.7	Very low	36.3	Very low	79 Å²	79	135.8 Å²	135.8	81%	0.814	75%	0.748	S	S	*	*			cis	176.8	-155.9	7.8	0	0	0	0	0	107.9
30	H	37	Very low	36.2	Very low	165 Å²	165	137.5 Å²	137.5	76%	0.764	75%	0.753	S	S	*	*			cis	-174.3	137.2	-9.9	176.1	-106.8	0	0	0	108.3
31	L	38.4	Very low	36.1	Very low	138 Å²	138	140.5 Å²	140.5	72%	0.723	76%	0.756	S	S	*	*			trans	65	136.8	-177.6	-83.8	149.6	0	0	0	116.6
32	S	37.3	Very low	35.8	Very low	80 Å²	80	145 Å²	145	56%	0.559	77%	0.765	S	S	*	*			cis	-160.1	146.6	-8.2	-95	0	0	0	0	112.1
33	M	35.1	Very low	35.8	Very low	152 Å²	152	144.6 Å²	144.6	75%	0.749	76%	0.761	S	S	*	*			trans	19.2	145	139.7	-61	174.4	-78.7	0	0	120.7
34	D	32.9	Very low	35.6	Very low	142 Å²	142	148.9 Å²	148.9	76%	0.759	77%	0.767	S	S	*	*			cis	-167.7	143.5	-10.7	-92.8	-29.4	0	0	0	107.5
35	L	37.3	Very low	36	Very low	172 Å²	172	149.1 Å²	149.1	90%	0.901	77%	0.773	S	S	*	*				172.4	88.4	124.8	-165.4	62.8	0	0	0	111
36	E	33.1	Very low	35.9	Very low	168 Å²	168	150.5 Å²	150.5	79%	0.785	78%	0.781	S	S	*	*			trans	-60.2	169	160.6	-70.4	-170.5	141.6	0	0	112.3
37	T	32.2	Very low	35.9	Very low	95 Å²	95	151.9 Å²	151.9	58%	0.583	78%	0.779	S	S	*	*			cis	-176.1	137.6	-20.9	-85.6	0	0	0	0	105.8
38	V	38.3	Very low	36.2	Very low	146 Å²	146	149.9 Å²	149.9	89%	0.885	78%	0.784	S	S	*	*			trans	-143.3	103.7	153.5	-173.1	0	0	0	0	110.3
39	D	31.6	Very low	37.1	Very low	129 Å²	129	149.7 Å²	149.7	69%	0.69	78%	0.778	S	S	*	*			trans	-67.8	139.2	172.1	-90.8	-82.3	0	0	0	113.5
40	T	37.2	Very low	38.5	Very low	145 Å²	145	147.3 Å²	147.3	89%	0.89	75%	0.751	S	S	*	*				-161.7	121.8	129.2	1	0	0	0	0	114.4
41	K	34.1	Very low	40.7	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.857	75%	0.745	S	S	*	*			trans	-46.2	126	179.7	-65.2	160.3	175.9	164.7	0	116.1
42	K	32.9	Very low	43.2	Very low	202 Å²	202	141.1 Å²	141.1	88%	0.878	74%	0.736	S	S	*	*			trans	-162.8	126.2	144	-114.7	164.6	-176	174.9	0	115.6
43	S	35.8	Very low	45.7	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	71%	0.713	S	S	*	*			trans	54.5	77.4	154.9	58.5	0	0	0	0	121.8	V45	S43-V45 PolarHBondContact O-N 3.33Å
44	R	32.3	Very low	48.5	Very low	253 Å²	253	136 Å²	136	96%	0.955	70%	0.697	S	S	*	*				30.9	49.8	115.5	-147.1	-178.9	-163.6	175.8	5.2	119.8
45	V	41.1	Very low	51.4	Low	135 Å²	135	129.2 Å²	129.2	82%	0.818	66%	0.661	S	S	*	*			trans	-124.5	46	170.1	-167.3	0	0	0	0	111	S43 R47	S43-V45 PolarHBondContact O-N 3.33Å; V45-R47 PolarHBondContact O-N 3.45Å
46	D	32.4	Very low	54.2	Low	147 Å²	147	121 Å²	121	79%	0.786	62%	0.618	S	S	*	*			trans	-81.5	103.6	171.8	-77.9	-60.6	0	0	0	111.8	L48	D46-L48 PolarHBondContact O-N 3Å
47	R	38.5	Very low	57.1	Low	190 Å²	190	114.8 Å²	114.8	72%	0.717	59%	0.589	S	S	*	*				49.1	67.8	122.3	-153.3	173.3	-170.2	173.3	0.5	117.6	V45 E49	V45-R47 PolarHBondContact O-N 3.45Å; R47-E49 HydrophobicContact CG-CG 4.12Å; R47-E49 IonicContact CZ-OE1 3.24Å; R47-E49 IonicContact NE-OE1 2.86Å; R47-E49 PolarHBondContact NE-OE1 3.47Å; R47-E49 IonicContact NH2-OE1 3.48Å; R47-E49 PolarHBondContact NH2-OE1 3.21Å; R47-E49 PolarHBondContact O-N 3.4Å
48	L	46.1	Very low	60.1	Low	168 Å²	168	110.2 Å²	110.2	88%	0.88	56%	0.561	S	S	*	*			trans	-87.1	88.1	148.5	-111.7	75.3	0	0	0	108.9	D46 A50	D46-L48 PolarHBondContact O-N 3Å; L48-A50 PolarHBondContact O-N 2.9Å
49	E	56.9	Low	62.7	Low	143 Å²	143	108.4 Å²	108.4	67%	0.668	54%	0.538	S	S	*	.			trans	-72	101.6	162.5	-76.5	174.6	-160.4	0	0	107.8	R47	R47-E49 HydrophobicContact CG-CG 4.12Å; R47-E49 IonicContact CZ-OE1 3.24Å; R47-E49 IonicContact NE-OE1 2.86Å; R47-E49 PolarHBondContact NE-OE1 3.47Å; R47-E49 IonicContact NH2-OE1 3.48Å; R47-E49 PolarHBondContact NH2-OE1 3.21Å; R47-E49 PolarHBondContact O-N 3.4Å
50	A	68.6	Low	65.5	Low	30 Å²	30	105.6 Å²	105.6	25%	0.248	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-66.3	143.7	172.3	0	0	0	0	0	110	L48 F125	L48-A50 PolarHBondContact O-N 2.9Å; A50-F125 HydrophobicContact CB-CB 4.12Å
51	S	83	Confident	68.1	Low	92 Å²	92	98.7 Å²	98.7	64%	0.643	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-54.2	143.5	174.6	52.2	0	0	0	0	111.1	S53	S51-S53 PolarHBondContact O-N 3.21Å
52	P	89.8	Confident	70.7	Confident	80 Å²	80	89.4 Å²	89.4	52%	0.519	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-47.9	129.3	177.8	-30.8	36.6	0	0	0	112.8	L99 V103 F125	P52-L99 HydrophobicContact CB-CD1 4.25Å; P52-V103 HydrophobicContact CB-CG2 3.99Å; P52-F125 HydrophobicContact CB-CE1 4.42Å; P52-F125 HydrophobicContact CB-CE2 4.41Å; P52-F125 HydrophobicContact CB-CZ 4.24Å; P52-F125 HydrophobicContact CG-CE2 4.36Å
53	S	91.5	Very high	73.2	Confident	11 Å²	11	81.6 Å²	81.6	8%	0.077	42%	0.418	C	S	.	.			trans	-136.5	153.6	-179.8	-179.4	0	0	0	0	110.6	S51 V55 A102 F125 H128	S51-S53 PolarHBondContact O-N 3.21Å; S53-V55 PolarHBondContact O-N 2.97Å; S53-V55 PolarHBondContact OG-N 3.41Å; S53-V55 VanDerWaalsContact OG-N 3.09Å; S53-A102 WeakPolarHBondContact O-CB 3.22Å; S53-F125 WeakPolarHBondContact O-CD1 3.35Å; S53-H128 PolarHBondContact OG-O 3.4Å
54	R	93.3	Very high	75.7	Confident	114 Å²	114	81.9 Å²	81.9	43%	0.43	41%	0.412	S	S	.	.	S	Bend	trans	-66.1	-21.7	168.4	-60.4	-172.2	-163.9	-164.3	9.3	111.9	E95 M96 H97 L99	R54-E95 HydrophobicContact CB-CG 4.38Å; R54-E95 WeakPolarHBondContact O-CA 3.35Å; R54-M96 PolarHBondContact O-N 2.9Å; R54-H97 PolarHBondContact NH1-O 3.03Å; R54-L99 HydrophobicContact CG-CB 4.11Å; R54-L99 HydrophobicContact CG-CD1 4.28Å
55	V	94.3	Very high	78.3	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.5	177.9	-172.9	0	0	0	0	110.3	S53 L93 I94 E95 S126 H128 L131	S53-V55 PolarHBondContact O-N 2.97Å; S53-V55 PolarHBondContact OG-N 3.41Å; S53-V55 VanDerWaalsContact OG-N 3.09Å; V55-L93 HydrophobicContact CG1-CB 4.26Å; V55-L93 HydrophobicContact CG1-CD2 4.06Å; V55-I94 CarbonylContact C-O 3.4Å; V55-I94 VanDerWaalsContact CA-O 3.22Å; V55-I94 WeakPolarHBondContact CA-O 3.44Å; V55-E95 HydrophobicContact CG2-CB 4.2Å; V55-E95 HydrophobicContact CG2-CG 4.03Å; V55-S126 VanDerWaalsContact O-CB 3.31Å; V55-S126 WeakPolarHBondContact O-CB 3.18Å; V55-S126 PolarHBondContact O-N 2.91Å; V55-H128 WeakPolarHBondContact CB-O 3.48Å; V55-L131 HydrophobicContact CG1-CD1 4.36Å; V55-L131 HydrophobicContact CG1-CD2 3.65Å; V55-L131 HydrophobicContact CG1-CG 3.93Å; V55-L131 HydrophobicContact CG2-CD2 4.4Å; V55-L131 HydrophobicContact CG2-CG 4.09Å
56	I	95.4	Very high	80.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	-178.8	-58.7	151.6	0	0	0	108.8	L93 I94 M96 A102 L105 V106 F123 Q124	I56-L93 WeakPolarHBondContact O-CA 3.46Å; I56-I94 HydrophobicContact CB-CD1 4.24Å; I56-I94 HydrophobicContact CB-CG1 3.8Å; I56-I94 HydrophobicContact CD1-CD1 4.1Å; I56-I94 HydrophobicContact CD1-CG1 4.31Å; I56-I94 HydrophobicContact CG2-CG1 4.49Å; I56-I94 PolarHBondContact N-O 3.21Å; I56-I94 PolarHBondContact O-N 3.28Å; I56-M96 HydrophobicContact CD1-CG 4.01Å; I56-A102 HydrophobicContact CD1-CB 3.67Å; I56-A102 HydrophobicContact CG1-CB 4.12Å; I56-L105 HydrophobicContact CD1-CB 4.23Å; I56-L105 HydrophobicContact CD1-CD1 3.78Å; I56-L105 HydrophobicContact CD1-CD2 3.76Å; I56-L105 HydrophobicContact CD1-CG 4.16Å; I56-L105 HydrophobicContact CG2-CD2 4.27Å; I56-V106 HydrophobicContact CD1-CG2 4.3Å; I56-V106 HydrophobicContact CG1-CG2 3.95Å; I56-V106 HydrophobicContact CG2-CG2 3.86Å; I56-F123 HydrophobicContact CG2-CB 4.23Å; I56-F123 HydrophobicContact CG2-CD1 4.07Å; I56-Q124 CarbonylContact C-O 3.52Å; I56-Q124 WeakPolarHBondContact CA-O 3.5Å; I56-Q124 WeakPolarHBondContact CG2-O 3.37Å
57	H	94.4	Very high	83.5	Confident	36 Å²	36	60.2 Å²	60.2	17%	0.167	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122	174.2	-171.7	-154	0	0	0	110.4	R59 Q91 A92 L93 Q124	H57-R59 WeakPolarHBondContact ND1-CG 3.44Å; H57-Q91 PolarHBondContact CE1-OE1 2.95Å; H57-Q91 PolarHBondContact NE2-OE1 3.41Å; H57-A92 PolarHBondContact CD2-O 3.42Å; H57-L93 HydrophobicContact CB-CD2 3.95Å; H57-Q124 PolarHBondContact N-O 2.76Å; H57-Q124 PolarHBondContact O-N 3.2Å
58	I	94.3	Very high	86	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.8	174.7	-52.9	176.1	0	0	0	107.3	I70 Q91 A92 I94 L121 I122 F123	I58-I70 HydrophobicContact CD1-CG2 3.65Å; I58-Q91 CarbonylContact O-C 3.45Å; I58-Q91 VanDerWaalsContact O-CA 3.25Å; I58-Q91 WeakPolarHBondContact O-CA 3.26Å; I58-A92 HydrophobicContact CB-CB 4.25Å; I58-A92 HydrophobicContact CD1-CB 4.48Å; I58-A92 PolarHBondContact N-O 2.84Å; I58-A92 PolarHBondContact O-N 2.9Å; I58-I94 HydrophobicContact CD1-CD1 4.16Å; I58-I94 HydrophobicContact CD1-CG1 4.29Å; I58-I94 HydrophobicContact CD1-CG2 4.08Å; I58-L121 HydrophobicContact CG2-CB 4.25Å; I58-L121 HydrophobicContact CG2-CD1 4.32Å; I58-L121 HydrophobicContact CG2-CD2 4.28Å; I58-I122 CarbonylContact C-O 3.6Å; I58-I122 WeakPolarHBondContact CA-O 3.43Å; I58-F123 HydrophobicContact CD1-CD1 4.18Å; I58-F123 HydrophobicContact CD1-CE1 3.58Å; I58-F123 HydrophobicContact CD1-CZ 4.23Å; I58-F123 HydrophobicContact CG1-CD1 3.78Å; I58-F123 HydrophobicContact CG1-CE1 3.67Å; I58-F123 HydrophobicContact CG1-CZ 4.38Å; I58-F123 HydrophobicContact CG2-CE1 4.44Å; I58-F123 HydrophobicContact CG2-CZ 4.34Å
59	R	93.3	Very high	88.2	Confident	107 Å²	107	49.2 Å²	49.2	40%	0.404	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	157.5	-177.4	-47.3	175.5	79.9	175.4	5.4	110.2	H57 M61 I122 Q124	H57-R59 WeakPolarHBondContact ND1-CG 3.44Å; R59-M61 VanDerWaalsContact C-N 3.25Å; R59-M61 PolarHBondContact O-N 3.07Å; R59-I122 HydrophobicContact CB-CB 4.25Å; R59-I122 PolarHBondContact N-O 2.89Å; R59-I122 PolarHBondContact O-N 3.09Å; R59-I122 VanDerWaalsContact O-N 3.08Å; R59-Q124 VanDerWaalsContact CD-OE1 3.24Å
60	N	91.1	Very high	89.9	Confident	70 Å²	70	42.4 Å²	42.4	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	62.9	28.4	-177.6	-164.7	41.8	0	0	0	114.1	N90 H120	N60-N90 PolarHBondContact N-O 2.81Å; N60-N90 VanDerWaalsContact N-O 3.14Å; N60-H120 WeakPolarHBondContact CB-O 3.5Å; N60-H120 PolarHBondContact ND2-O 2.63Å
61	M	90.8	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.			trans	-59.1	134.5	172	-169.1	-172.9	77.2	0	0	110.1	R59 A65 I70 L85 K87 N90 A92 L121	R59-M61 VanDerWaalsContact C-N 3.25Å; R59-M61 PolarHBondContact O-N 3.07Å; M61-A65 HydrophobicContact CE-CB 4.41Å; M61-A65 HydrophobicContact CG-CB 3.7Å; M61-A65 HydrophobicContact SD-CB 4.05Å; M61-I70 HydrophobicContact CG-CD1 3.83Å; M61-I70 HydrophobicContact SD-CD1 3.91Å; M61-I70 HydrophobicContact SD-CG1 3.97Å; M61-L85 HydrophobicContact CE-CD2 4.43Å; M61-L85 HydrophobicContact SD-CD2 4.08Å; M61-L85 HydrophobicContact SD-CG 4.18Å; M61-K87 HydrophobicContact CE-CG 4.1Å; M61-N90 PolarHBondContact N-O 3.22Å; M61-N90 WeakPolarHBondContact O-CB 3.3Å; M61-N90 PolarHBondContact O-OD1 2.82Å; M61-A92 HydrophobicContact SD-CB 3.97Å; M61-L121 HydrophobicContact CB-CD2 4.42Å
62	P	88.3	Confident	91.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.013	21%	0.205	C	C	.	.			trans	-71.3	148	174	34.4	-35.8	0	0	0	109.8	D64 A65 L116 H117 K119	P62-D64 WeakPolarHBondContact CB-OD1 3.3Å; P62-D64 PolarHBondContact O-N 3.36Å; P62-A65 HydrophobicContact CG-CB 4.08Å; P62-A65 VanDerWaalsContact O-CB 3.23Å; P62-A65 WeakPolarHBondContact O-CB 3.35Å; P62-A65 PolarHBondContact O-N 3.24Å; P62-A65 VanDerWaalsContact O-N 3.13Å; P62-L116 HydrophobicContact CG-CB 4.23Å; P62-L116 HydrophobicContact CG-CD2 3.88Å; P62-L116 HydrophobicContact CG-CG 3.87Å; P62-H117 HydrophobicContact CB-CB 4.18Å; P62-H117 HydrophobicContact CG-CB 4.04Å; P62-K119 HydrophobicContact CB-CD 4.01Å; P62-K119 HydrophobicContact CB-CG 4.41Å
63	G	85.4	Confident	91.5	Very high	39 Å²	39	35.6 Å²	35.6	40%	0.402	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.8	-166.6	0	0	0	0	0	114.5
64	D	88	Confident	91.6	Very high	102 Å²	102	35 Å²	35	55%	0.545	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.1	174.7	57.8	-36.4	0	0	0	113.3	P62 T66 H117	P62-D64 WeakPolarHBondContact CB-OD1 3.3Å; P62-D64 PolarHBondContact O-N 3.36Å; D64-T66 PolarHBondContact O-N 3.09Å; D64-H117 IonicContact OD1-ND1 2.9Å; D64-H117 IonicContact OD2-CE1 3.64Å; D64-H117 IonicContact OD2-CG 3.3Å; D64-H117 IonicContact OD2-ND1 3.65Å; D64-H117 PolarHBondContact OD2-ND1 2.9Å
65	A	88.5	Confident	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.			trans	-54.4	135.4	176.3	0	0	0	0	0	112.2	M61 P62 I70 K87 L116	M61-A65 HydrophobicContact CE-CB 4.41Å; M61-A65 HydrophobicContact CG-CB 3.7Å; M61-A65 HydrophobicContact SD-CB 4.05Å; P62-A65 HydrophobicContact CG-CB 4.08Å; P62-A65 VanDerWaalsContact O-CB 3.23Å; P62-A65 WeakPolarHBondContact O-CB 3.35Å; P62-A65 PolarHBondContact O-N 3.24Å; P62-A65 VanDerWaalsContact O-N 3.13Å; A65-I70 HydrophobicContact CB-CD1 4.23Å; A65-I70 HydrophobicContact CB-CG1 4.41Å; A65-K87 WeakPolarHBondContact O-CE 3.42Å; A65-K87 PolarHBondContact O-NZ 2.7Å; A65-L116 HydrophobicContact CB-CD2 3.8Å
66	T	91.4	Very high	91.1	Very high	50 Å²	50	30.1 Å²	30.1	31%	0.307	16%	0.16	S	C	.	.			trans	-90.1	155.2	173.3	69.4	0	0	0	0	111.5	D64 N68 E69 I70	D64-T66 PolarHBondContact O-N 3.09Å; T66-N68 PolarHBondContact O-N 3.07Å; T66-E69 WeakPolarHBondContact CB-OE2 3.49Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.47Å; T66-E69 PolarHBondContact N-OE2 3.16Å; T66-E69 PolarHBondContact O-N 3.06Å; T66-E69 VanDerWaalsContact OG1-CG 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.35Å; T66-E69 PolarHBondContact OG1-N 3.28Å; T66-E69 PolarHBondContact OG1-OE2 3.24Å; T66-I70 WeakPolarHBondContact O-CG1 3.36Å; T66-I70 PolarHBondContact O-N 3.44Å
67	E	90.6	Very high	90.9	Very high	31 Å²	31	30.9 Å²	30.9	15%	0.145	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-35.1	176.3	-63.7	65.3	-152.4	0	0	110.8	A71 M83 L85 K87 I140 A143	E67-A71 WeakPolarHBondContact O-CB 3.36Å; E67-A71 PolarHBondContact O-N 3.25Å; E67-A71 VanDerWaalsContact O-N 3.12Å; E67-M83 HydrophobicContact CB-CE 4.07Å; E67-M83 WeakPolarHBondContact O-CE 3.28Å; E67-L85 HydrophobicContact CG-CD1 4.34Å; E67-L85 HydrophobicContact CG-CD2 4.02Å; E67-K87 WeakPolarHBondContact OE1-CE 3.37Å; E67-K87 IonicContact OE1-NZ 2.77Å; E67-K87 PolarHBondContact OE1-NZ 3.09Å; E67-K87 IonicContact OE2-NZ 3.71Å; E67-I140 HydrophobicContact CB-CG1 4.44Å; E67-I140 HydrophobicContact CG-CG1 3.66Å; E67-A143 HydrophobicContact CB-CB 3.71Å
68	N	91.6	Very high	90.6	Very high	74 Å²	74	29.6 Å²	29.6	40%	0.396	16%	0.16	S	C	.	.	H	α-helix	trans	-65.9	-47.3	177	-65.4	-62.5	0	0	0	112.2	T66 I70 A71 L72 A143	T66-N68 PolarHBondContact O-N 3.07Å; N68-I70 VanDerWaalsContact C-N 3.32Å; N68-I70 PolarHBondContact O-N 2.78Å; N68-A71 WeakPolarHBondContact O-CB 3.47Å; N68-A71 PolarHBondContact O-N 3.37Å; N68-A71 VanDerWaalsContact O-N 3.14Å; N68-L72 WeakPolarHBondContact O-CG 3.47Å; N68-L72 PolarHBondContact O-N 3.44Å; N68-A143 WeakPolarHBondContact OD1-CA 3.45Å; N68-A143 WeakPolarHBondContact OD1-CB 3.48Å
69	E	91.9	Very high	90.4	Very high	52 Å²	52	32.4 Å²	32.4	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-41.2	-179.7	-70.6	157.5	142.3	0	0	111.9	T66 A71 L72 F73 L116 H117	T66-E69 WeakPolarHBondContact CB-OE2 3.49Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.47Å; T66-E69 PolarHBondContact N-OE2 3.16Å; T66-E69 PolarHBondContact O-N 3.06Å; T66-E69 VanDerWaalsContact OG1-CG 3.29Å; T66-E69 WeakPolarHBondContact OG1-CG 3.35Å; T66-E69 PolarHBondContact OG1-N 3.28Å; T66-E69 PolarHBondContact OG1-OE2 3.24Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.37Å; E69-L72 PolarHBondContact O-N 3Å; E69-F73 WeakPolarHBondContact O-CD2 3.38Å; E69-F73 VanDerWaalsContact O-CE2 3.26Å; E69-F73 WeakPolarHBondContact O-CE2 3.45Å; E69-L116 HydrophobicContact CB-CD1 4.24Å; E69-L116 HydrophobicContact CB-CD2 4.33Å; E69-L116 HydrophobicContact CG-CD1 4.47Å; E69-H117 IonicContact OE1-CE1 2.76Å; E69-H117 IonicContact OE1-NE2 2.75Å; E69-H117 PolarHBondContact OE1-NE2 3.28Å
70	I	92.7	Very high	90.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-38.1	176.3	-58.7	-55.4	0	0	0	111.3	I58 M61 A65 T66 N68 M83 L85 A92 I94 L116	I58-I70 HydrophobicContact CD1-CG2 3.65Å; M61-I70 HydrophobicContact CG-CD1 3.83Å; M61-I70 HydrophobicContact SD-CD1 3.91Å; M61-I70 HydrophobicContact SD-CG1 3.97Å; A65-I70 HydrophobicContact CB-CD1 4.23Å; A65-I70 HydrophobicContact CB-CG1 4.41Å; T66-I70 WeakPolarHBondContact O-CG1 3.36Å; T66-I70 PolarHBondContact O-N 3.44Å; N68-I70 VanDerWaalsContact C-N 3.32Å; N68-I70 PolarHBondContact O-N 2.78Å; I70-M83 HydrophobicContact CB-SD 4.19Å; I70-M83 HydrophobicContact CG2-SD 3.85Å; I70-L85 HydrophobicContact CG1-CD2 4.09Å; I70-A92 HydrophobicContact CG2-CB 4.07Å; I70-I94 HydrophobicContact CG2-CG2 4.19Å; I70-L116 HydrophobicContact CD1-CD2 3.88Å
71	A	92.9	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-35.9	176.8	0	0	0	0	0	113.1	E67 N68 E69 F73 A74 I75 L80 M83 A147	E67-A71 WeakPolarHBondContact O-CB 3.36Å; E67-A71 PolarHBondContact O-N 3.25Å; E67-A71 VanDerWaalsContact O-N 3.12Å; N68-A71 WeakPolarHBondContact O-CB 3.47Å; N68-A71 PolarHBondContact O-N 3.37Å; N68-A71 VanDerWaalsContact O-N 3.14Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.37Å; A71-F73 PolarHBondContact O-N 3.09Å; A71-A74 PolarHBondContact O-N 3.1Å; A71-I75 PolarHBondContact O-N 2.84Å; A71-L80 HydrophobicContact CB-CD1 3.58Å; A71-M83 HydrophobicContact CB-CE 4.26Å; A71-M83 HydrophobicContact CB-SD 4.48Å; A71-A147 HydrophobicContact CB-CB 3.66Å
72	L	90.5	Very high	90.4	Very high	54 Å²	54	28.5 Å²	28.5	28%	0.283	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-26.9	-179.7	-73.7	175.7	0	0	0	114	N68 E69 A74 I75 P76 L223	N68-L72 WeakPolarHBondContact O-CG 3.47Å; N68-L72 PolarHBondContact O-N 3.44Å; E69-L72 PolarHBondContact O-N 3Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-I75 HydrophobicContact CD2-CD1 3.8Å; L72-P76 WeakPolarHBondContact O-CD 3.26Å; L72-L223 HydrophobicContact CD2-CD2 4.35Å
73	F	92.2	Very high	90.6	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-24.7	175.1	-61.5	-64.4	0	0	0	113.2	E69 A71 F77 Y109 V114 L116 L121 F123 L224	E69-F73 WeakPolarHBondContact O-CD2 3.38Å; E69-F73 VanDerWaalsContact O-CE2 3.26Å; E69-F73 WeakPolarHBondContact O-CE2 3.45Å; A71-F73 PolarHBondContact O-N 3.09Å; F73-F77 WeakPolarHBondContact O-CE2 3.44Å; F73-Y109 WeakPolarHBondContact CA-OH 3.33Å; F73-Y109 HydrophobicContact CB-CE2 4.04Å; F73-Y109 WeakPolarHBondContact O-CE2 3.37Å; F73-Y109 PolarHBondContact O-OH 3.25Å; F73-V114 HydrophobicContact CD1-CG1 4.29Å; F73-V114 HydrophobicContact CD1-CG2 3.97Å; F73-V114 HydrophobicContact CE1-CB 4.47Å; F73-V114 HydrophobicContact CE1-CG1 4.25Å; F73-V114 HydrophobicContact CE1-CG2 3.42Å; F73-V114 VanDerWaalsContact CE1-CG2 3.42Å; F73-V114 HydrophobicContact CZ-CG2 4.25Å; F73-L116 HydrophobicContact CE2-CB 4.49Å; F73-L116 HydrophobicContact CE2-CD1 4.43Å; F73-L116 HydrophobicContact CE2-CD2 4.27Å; F73-L116 HydrophobicContact CZ-CB 4.31Å; F73-L116 HydrophobicContact CZ-CD1 4.24Å; F73-L121 HydrophobicContact CD2-CD1 4.02Å; F73-L121 HydrophobicContact CE2-CD1 3.62Å; F73-L121 HydrophobicContact CZ-CD1 4.1Å; F73-F123 HydrophobicContact CB-CE1 4.36Å; F73-F123 HydrophobicContact CB-CZ 4.03Å; F73-F123 HydrophobicContact CG-CZ 4.26Å; F73-L224 HydrophobicContact CD1-CD1 4.09Å; F73-L224 HydrophobicContact CD1-CD2 4.03Å; F73-L224 HydrophobicContact CE1-CD1 3.77Å; F73-L224 HydrophobicContact CE1-CD2 3.46Å; F73-L224 VanDerWaalsContact CE1-CD2 3.46Å; F73-L224 HydrophobicContact CE1-CG 4.27Å; F73-L224 HydrophobicContact CZ-CD2 4.15Å
74	A	92	Very high	90.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-33.6	-174.2	0	0	0	0	0	113.6	A71 L72 F77 L80 I94 M96 L105	A71-A74 PolarHBondContact O-N 3.1Å; L72-A74 VanDerWaalsContact C-N 3.33Å; A74-F77 PolarHBondContact O-N 3.48Å; A74-F77 VanDerWaalsContact O-N 3.17Å; A74-L80 HydrophobicContact CB-CD1 3.98Å; A74-L80 HydrophobicContact CB-CD2 3.62Å; A74-L80 HydrophobicContact CB-CG 3.8Å; A74-I94 HydrophobicContact CB-CD1 3.7Å; A74-M96 HydrophobicContact CB-SD 3.95Å; A74-L105 HydrophobicContact CB-CD1 3.84Å
75	I	90.2	Very high	91	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.6	-172.8	60.2	170.3	0	0	0	117.6	A71 L72 F77 G78 L80 A147 V150 V151 L223	A71-I75 PolarHBondContact O-N 2.84Å; L72-I75 HydrophobicContact CD2-CD1 3.8Å; I75-F77 PolarHBondContact O-N 3.05Å; I75-G78 WeakPolarHBondContact CA-O 3.27Å; I75-L80 HydrophobicContact CG2-CD1 4.32Å; I75-A147 HydrophobicContact CD1-CB 4.23Å; I75-A147 HydrophobicContact CG2-CB 3.51Å; I75-V150 HydrophobicContact CD1-CB 3.94Å; I75-V150 HydrophobicContact CD1-CG1 4.03Å; I75-V151 HydrophobicContact CB-CG2 3.57Å; I75-V151 HydrophobicContact CG2-CG2 3.93Å; I75-L223 HydrophobicContact CD1-CD1 3.79Å; I75-L223 HydrophobicContact CG1-CD1 3.73Å
76	P	87.8	Confident	90.9	Very high	9 Å²	9	27 Å²	27	6%	0.058	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.2	173.9	-26.5	40.2	0	0	0	114.1	L72 I216 F219 V220 L223	L72-P76 WeakPolarHBondContact O-CD 3.26Å; P76-I216 HydrophobicContact CB-CG2 4.34Å; P76-F219 HydrophobicContact CB-CB 4.25Å; P76-F219 HydrophobicContact CB-CD1 4.01Å; P76-F219 HydrophobicContact CB-CG 4.23Å; P76-F219 HydrophobicContact CG-CG 4.5Å; P76-V220 HydrophobicContact CB-CG2 3.61Å; P76-V220 HydrophobicContact CG-CG2 3.65Å; P76-L223 HydrophobicContact CG-CD1 3.71Å
77	F	90.2	Very high	90.6	Very high	15 Å²	15	28.8 Å²	28.8	7%	0.066	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-24.9	-175.3	-55.6	-84	0	0	0	113.2	F73 A74 I75 M96 E101 Q104 L105 H108 Y109 I216 V220	F73-F77 WeakPolarHBondContact O-CE2 3.44Å; A74-F77 PolarHBondContact O-N 3.48Å; A74-F77 VanDerWaalsContact O-N 3.17Å; I75-F77 PolarHBondContact O-N 3.05Å; F77-M96 HydrophobicContact CB-CE 4.37Å; F77-E101 WeakPolarHBondContact O-CB 3.34Å; F77-E101 WeakPolarHBondContact O-CG 3.41Å; F77-Q104 HydrophobicContact CD1-CB 3.99Å; F77-L105 HydrophobicContact CB-CB 4.07Å; F77-L105 HydrophobicContact CD1-CB 4.05Å; F77-L105 HydrophobicContact CD2-CB 3.75Å; F77-L105 HydrophobicContact CD2-CD1 3.92Å; F77-L105 HydrophobicContact CD2-CG 3.64Å; F77-L105 HydrophobicContact CE1-CB 4.46Å; F77-L105 HydrophobicContact CE2-CB 4.22Å; F77-L105 HydrophobicContact CE2-CG 3.93Å; F77-L105 HydrophobicContact CG-CB 3.66Å; F77-L105 HydrophobicContact CG-CD1 4.43Å; F77-L105 HydrophobicContact CG-CG 4.11Å; F77-H108 HydrophobicContact CE1-CB 3.45Å; F77-H108 VanDerWaalsContact CE1-CB 3.45Å; F77-H108 AromaticContact CE1-CG 3.84Å; F77-H108 HydrophobicContact CZ-CB 3.54Å; F77-H108 AromaticContact CZ-CG 3.6Å; F77-H108 AromaticContact CZ-ND1 3.77Å; F77-Y109 HydrophobicContact CE2-CD2 4.44Å; F77-Y109 AromaticContact CE2-CE2 3.67Å; F77-Y109 HydrophobicContact CE2-CE2 3.67Å; F77-Y109 HydrophobicContact CZ-CE2 4.17Å; F77-I216 HydrophobicContact CD1-CD1 4.49Å; F77-I216 HydrophobicContact CD1-CG2 3.79Å; F77-I216 HydrophobicContact CE1-CG2 3.36Å; F77-I216 HydrophobicContact CZ-CG2 3.83Å; F77-V220 HydrophobicContact CE2-CG2 4.28Å; F77-V220 HydrophobicContact CZ-CG2 4.22Å
78	G	88	Confident	90.2	Very high	9 Å²	9	38.3 Å²	38.3	9%	0.093	18%	0.184	C	C	.	.	S	Bend	trans	168.9	-178	-170.6	0	0	0	0	0	114.2	I75 E101	I75-G78 WeakPolarHBondContact CA-O 3.27Å; G78-E101 WeakPolarHBondContact CA-OE1 3.41Å; G78-E101 WeakPolarHBondContact CA-OE2 3.31Å
79	L	90.4	Very high	90.1	Very high	60 Å²	60	39 Å²	39	31%	0.314	19%	0.188	S	C	.	.			trans	-84.7	130.3	178.4	-67.7	173.7	0	0	0	111.2	H97 N148 V151	L79-H97 WeakPolarHBondContact CB-ND1 3.34Å; L79-H97 PolarHBondContact O-N 3.4Å; L79-H97 PolarHBondContact O-ND1 3.03Å; L79-N148 HydrophobicContact CD2-CB 3.91Å; L79-V151 HydrophobicContact CD2-CB 4.14Å; L79-V151 HydrophobicContact CD2-CG1 4.02Å; L79-V151 HydrophobicContact CD2-CG2 4.27Å
80	L	91.5	Very high	90.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.4	169.9	-80.8	169.4	0	0	0	110.6	A71 A74 I75 I94 M96 H97 I144 N148	A71-L80 HydrophobicContact CB-CD1 3.58Å; A74-L80 HydrophobicContact CB-CD1 3.98Å; A74-L80 HydrophobicContact CB-CD2 3.62Å; A74-L80 HydrophobicContact CB-CG 3.8Å; I75-L80 HydrophobicContact CG2-CD1 4.32Å; L80-I94 HydrophobicContact CD2-CB 3.83Å; L80-I94 HydrophobicContact CD2-CD1 4.5Å; L80-I94 HydrophobicContact CD2-CG2 4.19Å; L80-M96 HydrophobicContact CD2-SD 3.93Å; L80-H97 PolarHBondContact O-CE1 3.32Å; L80-I144 HydrophobicContact CB-CG1 4.49Å; L80-I144 HydrophobicContact CB-CG2 4.01Å; L80-I144 WeakPolarHBondContact O-CG2 3.48Å; L80-N148 PolarHBondContact N-OD1 2.91Å; L80-N148 PolarHBondContact O-ND2 2.55Å
81	K	91.9	Very high	90.1	Very high	66 Å²	66	42.5 Å²	42.5	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-53.8	176.5	-175.1	174.6	159.9	-150.1	0	111.5	E95 H97 H130	K81-E95 HydrophobicContact CB-CG 4.37Å; K81-E95 WeakPolarHBondContact CB-O 3.12Å; K81-E95 WeakPolarHBondContact CD-OE1 3.48Å; K81-E95 WeakPolarHBondContact CE-OE1 3.39Å; K81-E95 PolarHBondContact N-O 3.41Å; K81-E95 IonicContact NZ-OE1 3.33Å; K81-E95 PolarHBondContact NZ-OE1 2.92Å; K81-H97 VanDerWaalsContact CA-CE1 3.49Å; K81-H97 WeakPolarHBondContact CA-CE1 3.41Å; K81-H130 PolarHBondContact NZ-CD2 2.98Å; K81-H130 PolarHBondContact NZ-NE2 2.81Å
82	N	91.7	Very high	90.1	Very high	28 Å²	28	42.6 Å²	42.6	15%	0.15	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.8	178.4	-67.1	-52	0	0	0	110.7	E95 L131 L133	N82-E95 HydrophobicContact CB-CB 3.97Å; N82-E95 PolarHBondContact N-O 2.97Å; N82-E95 PolarHBondContact ND2-OE2 3.47Å; N82-E95 PolarHBondContact O-N 3.42Å; N82-L131 HydrophobicContact CB-CB 4.03Å; N82-L131 HydrophobicContact CB-CD1 4.07Å; N82-L133 HydrophobicContact CB-CD1 4.41Å; N82-L133 WeakPolarHBondContact OD1-CD1 3.29Å
83	M	92.4	Very high	90.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.9	174.7	175.8	169.3	66.8	0	0	110.5	E67 I70 A71 L85 L93 I94 I140 A143 I144	E67-M83 HydrophobicContact CB-CE 4.07Å; E67-M83 WeakPolarHBondContact O-CE 3.28Å; I70-M83 HydrophobicContact CB-SD 4.19Å; I70-M83 HydrophobicContact CG2-SD 3.85Å; A71-M83 HydrophobicContact CB-CE 4.26Å; A71-M83 HydrophobicContact CB-SD 4.48Å; M83-L85 HydrophobicContact CE-CD1 3.98Å; M83-L85 HydrophobicContact CG-CD1 3.5Å; M83-L85 VanDerWaalsContact CG-CD1 3.5Å; M83-L85 HydrophobicContact SD-CD1 3.65Å; M83-L93 CarbonylContact C-O 3.51Å; M83-L93 VanDerWaalsContact CA-O 3.3Å; M83-L93 WeakPolarHBondContact CA-O 3.41Å; M83-I94 HydrophobicContact CB-CG2 4.31Å; M83-I94 HydrophobicContact CG-CG2 3.84Å; M83-I94 HydrophobicContact SD-CG2 3.87Å; M83-I140 HydrophobicContact CB-CG2 3.98Å; M83-I140 HydrophobicContact CE-CG2 4.04Å; M83-I140 HydrophobicContact CG-CG2 4.46Å; M83-I140 WeakPolarHBondContact O-CG2 3.47Å; M83-A143 HydrophobicContact CE-CB 4.14Å; M83-I144 HydrophobicContact CB-CD1 3.99Å; M83-I144 HydrophobicContact CB-CG1 4.29Å; M83-I144 HydrophobicContact CE-CG1 4.34Å
84	V	91.1	Very high	90.4	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.255	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	123.6	176.1	177.3	0	0	0	0	108.9	A92 L93 L131 L133	V84-A92 CarbonylContact O-C 3.59Å; V84-A92 VanDerWaalsContact O-CA 3.28Å; V84-A92 WeakPolarHBondContact O-CA 3.31Å; V84-L93 PolarHBondContact N-O 3.24Å; V84-L93 PolarHBondContact O-N 3.08Å; V84-L131 HydrophobicContact CG2-CD1 4.32Å; V84-L133 HydrophobicContact CG2-CD2 3.48Å; V84-L133 VanDerWaalsContact CG2-CD2 3.48Å
85	L	91	Very high	90.6	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.3	174.9	-80.9	71.2	0	0	0	110.7	M61 E67 I70 M83 A92	M61-L85 HydrophobicContact CE-CD2 4.43Å; M61-L85 HydrophobicContact SD-CD2 4.08Å; M61-L85 HydrophobicContact SD-CG 4.18Å; E67-L85 HydrophobicContact CG-CD1 4.34Å; E67-L85 HydrophobicContact CG-CD2 4.02Å; I70-L85 HydrophobicContact CG1-CD2 4.09Å; M83-L85 HydrophobicContact CE-CD1 3.98Å; M83-L85 HydrophobicContact CG-CD1 3.5Å; M83-L85 VanDerWaalsContact CG-CD1 3.5Å; M83-L85 HydrophobicContact SD-CD1 3.65Å; L85-A92 HydrophobicContact CD1-CB 4.34Å; L85-A92 HydrophobicContact CG-CB 4.01Å
86	S	87.7	Confident	90.7	Very high	42 Å²	42	41.5 Å²	41.5	29%	0.294	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	82.1	171.1	-172.5	0	0	0	0	109.9	R88 N89 N90 Q91	S86-R88 PolarHBondContact O-N 2.91Å; S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 2.85Å; S86-N90 PolarHBondContact O-N 3.37Å; S86-N90 VanDerWaalsContact O-N 3.08Å; S86-Q91 CarbonylContact C-O 3.5Å; S86-Q91 WeakPolarHBondContact CA-O 3.38Å; S86-Q91 PolarHBondContact N-O 2.91Å; S86-Q91 PolarHBondContact O-N 3.38Å
87	K	83.4	Confident	90.9	Very high	86 Å²	86	44.8 Å²	44.8	37%	0.374	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-57.5	-29.7	178	-57.7	-168.5	-174.1	-166.9	0	112.3	M61 A65 E67 N89 N90	M61-K87 HydrophobicContact CE-CG 4.1Å; A65-K87 WeakPolarHBondContact O-CE 3.42Å; A65-K87 PolarHBondContact O-NZ 2.7Å; E67-K87 WeakPolarHBondContact OE1-CE 3.37Å; E67-K87 IonicContact OE1-NZ 2.77Å; E67-K87 PolarHBondContact OE1-NZ 3.09Å; E67-K87 IonicContact OE2-NZ 3.71Å; K87-N89 PolarHBondContact O-N 2.82Å; K87-N90 PolarHBondContact O-OD1 3.11Å
88	R	84.2	Confident	90.9	Very high	232 Å²	232	46.9 Å²	46.9	88%	0.875	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.3	-36.3	173.5	-175.1	179.3	-177.2	174.4	2.5	113.2	S86	S86-R88 PolarHBondContact O-N 2.91Å
89	N	87.9	Confident	91.1	Very high	89 Å²	89	48.9 Å²	48.9	48%	0.476	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-102.4	4	-174.4	-65.4	3.2	0	0	0	112.7	S86 K87 Q91	S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 2.85Å; K87-N89 PolarHBondContact O-N 2.82Å; N89-Q91 VanDerWaalsContact C-N 3.26Å; N89-Q91 HydrophobicContact CB-CB 4.48Å; N89-Q91 WeakPolarHBondContact O-CG 3.48Å; N89-Q91 PolarHBondContact O-N 3Å; N89-Q91 PolarHBondContact O-NE2 3.2Å
90	N	91.7	Very high	91.2	Very high	61 Å²	61	51.6 Å²	51.6	33%	0.326	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.3	-175.8	-66.2	-29.8	0	0	0	112.3	N60 M61 S86 K87	N60-N90 PolarHBondContact N-O 2.81Å; N60-N90 VanDerWaalsContact N-O 3.14Å; M61-N90 PolarHBondContact N-O 3.22Å; M61-N90 WeakPolarHBondContact O-CB 3.3Å; M61-N90 PolarHBondContact O-OD1 2.82Å; S86-N90 PolarHBondContact O-N 3.37Å; S86-N90 VanDerWaalsContact O-N 3.08Å; K87-N90 PolarHBondContact O-OD1 3.11Å
91	Q	92.9	Very high	91.2	Very high	63 Å²	63	53.5 Å²	53.5	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.1	-173.8	-74.8	167.5	35.6	0	0	111.8	H57 I58 S86 N89	H57-Q91 PolarHBondContact CE1-OE1 2.95Å; H57-Q91 PolarHBondContact NE2-OE1 3.41Å; I58-Q91 CarbonylContact O-C 3.45Å; I58-Q91 VanDerWaalsContact O-CA 3.25Å; I58-Q91 WeakPolarHBondContact O-CA 3.26Å; S86-Q91 CarbonylContact C-O 3.5Å; S86-Q91 WeakPolarHBondContact CA-O 3.38Å; S86-Q91 PolarHBondContact N-O 2.91Å; S86-Q91 PolarHBondContact O-N 3.38Å; N89-Q91 VanDerWaalsContact C-N 3.26Å; N89-Q91 HydrophobicContact CB-CB 4.48Å; N89-Q91 WeakPolarHBondContact O-CG 3.48Å; N89-Q91 PolarHBondContact O-N 3Å; N89-Q91 PolarHBondContact O-NE2 3.2Å
92	A	93.7	Very high	91.3	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158.9	167.1	0	0	0	0	0	111	H57 I58 M61 I70 V84 L85	H57-A92 PolarHBondContact CD2-O 3.42Å; I58-A92 HydrophobicContact CB-CB 4.25Å; I58-A92 HydrophobicContact CD1-CB 4.48Å; I58-A92 PolarHBondContact N-O 2.84Å; I58-A92 PolarHBondContact O-N 2.9Å; M61-A92 HydrophobicContact SD-CB 3.97Å; I70-A92 HydrophobicContact CG2-CB 4.07Å; V84-A92 CarbonylContact O-C 3.59Å; V84-A92 VanDerWaalsContact O-CA 3.28Å; V84-A92 WeakPolarHBondContact O-CA 3.31Å; L85-A92 HydrophobicContact CD1-CB 4.34Å; L85-A92 HydrophobicContact CG-CB 4.01Å
93	L	94.4	Very high	91.4	Very high	39 Å²	39	51.9 Å²	51.9	20%	0.204	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.3	167.6	-66.4	162.7	0	0	0	107.8	V55 I56 H57 M83 V84 L131	V55-L93 HydrophobicContact CG1-CB 4.26Å; V55-L93 HydrophobicContact CG1-CD2 4.06Å; I56-L93 WeakPolarHBondContact O-CA 3.46Å; H57-L93 HydrophobicContact CB-CD2 3.95Å; M83-L93 CarbonylContact C-O 3.51Å; M83-L93 VanDerWaalsContact CA-O 3.3Å; M83-L93 WeakPolarHBondContact CA-O 3.41Å; V84-L93 PolarHBondContact N-O 3.24Å; V84-L93 PolarHBondContact O-N 3.08Å; L93-L131 HydrophobicContact CB-CD1 4.07Å; L93-L131 HydrophobicContact CB-CD2 3.82Å; L93-L131 HydrophobicContact CD1-CD2 3.88Å; L93-L131 HydrophobicContact CG-CD2 4.4Å
94	I	94.8	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	143.6	172.1	57.6	171	0	0	0	109	V55 I56 I58 I70 A74 L80 M83 L105	V55-I94 CarbonylContact C-O 3.4Å; V55-I94 VanDerWaalsContact CA-O 3.22Å; V55-I94 WeakPolarHBondContact CA-O 3.44Å; I56-I94 HydrophobicContact CB-CD1 4.24Å; I56-I94 HydrophobicContact CB-CG1 3.8Å; I56-I94 HydrophobicContact CD1-CD1 4.1Å; I56-I94 HydrophobicContact CD1-CG1 4.31Å; I56-I94 HydrophobicContact CG2-CG1 4.49Å; I56-I94 PolarHBondContact N-O 3.21Å; I56-I94 PolarHBondContact O-N 3.28Å; I58-I94 HydrophobicContact CD1-CD1 4.16Å; I58-I94 HydrophobicContact CD1-CG1 4.29Å; I58-I94 HydrophobicContact CD1-CG2 4.08Å; I70-I94 HydrophobicContact CG2-CG2 4.19Å; A74-I94 HydrophobicContact CB-CD1 3.7Å; L80-I94 HydrophobicContact CD2-CB 3.83Å; L80-I94 HydrophobicContact CD2-CD1 4.5Å; L80-I94 HydrophobicContact CD2-CG2 4.19Å; M83-I94 HydrophobicContact CB-CG2 4.31Å; M83-I94 HydrophobicContact CG-CG2 3.84Å; M83-I94 HydrophobicContact SD-CG2 3.87Å; I94-L105 HydrophobicContact CD1-CD1 3.89Å
95	E	94.6	Very high	91.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.1	173.3	-173.8	-175.2	161.8	0	0	109.2	R54 V55 K81 N82 H130 L131	R54-E95 HydrophobicContact CB-CG 4.38Å; R54-E95 WeakPolarHBondContact O-CA 3.35Å; V55-E95 HydrophobicContact CG2-CB 4.2Å; V55-E95 HydrophobicContact CG2-CG 4.03Å; K81-E95 HydrophobicContact CB-CG 4.37Å; K81-E95 WeakPolarHBondContact CB-O 3.12Å; K81-E95 WeakPolarHBondContact CD-OE1 3.48Å; K81-E95 WeakPolarHBondContact CE-OE1 3.39Å; K81-E95 PolarHBondContact N-O 3.41Å; K81-E95 IonicContact NZ-OE1 3.33Å; K81-E95 PolarHBondContact NZ-OE1 2.92Å; N82-E95 HydrophobicContact CB-CB 3.97Å; N82-E95 PolarHBondContact N-O 2.97Å; N82-E95 PolarHBondContact ND2-OE2 3.47Å; N82-E95 PolarHBondContact O-N 3.42Å; E95-H130 IonicContact OE1-CD2 3.24Å; E95-H130 PolarHBondContact OE1-CD2 2.79Å; E95-H130 VanDerWaalsContact OE1-CD2 3.24Å; E95-H130 IonicContact OE1-CE1 3.87Å; E95-H130 IonicContact OE1-CG 3.44Å; E95-H130 IonicContact OE1-ND1 3.84Å; E95-H130 IonicContact OE1-NE2 3.54Å; E95-H130 IonicContact OE2-CE1 3.65Å; E95-H130 IonicContact OE2-CG 3.65Å; E95-H130 IonicContact OE2-ND1 3.37Å; E95-H130 PolarHBondContact OE2-ND1 2.99Å; E95-L131 HydrophobicContact CB-CD1 3.91Å; E95-L131 HydrophobicContact CB-CG 4.12Å; E95-L131 PolarHBondContact OE2-N 2.83Å
96	M	93.3	Very high	91.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	154.4	172.6	-56.8	-58.1	-71.9	0	0	110.7	R54 I56 A74 F77 L80 E101 A102 L105	R54-M96 PolarHBondContact O-N 2.9Å; I56-M96 HydrophobicContact CD1-CG 4.01Å; A74-M96 HydrophobicContact CB-SD 3.95Å; F77-M96 HydrophobicContact CB-CE 4.37Å; L80-M96 HydrophobicContact CD2-SD 3.93Å; M96-E101 HydrophobicContact CE-CB 4.13Å; M96-A102 HydrophobicContact CB-CB 4.11Å; M96-A102 HydrophobicContact CG-CB 3.79Å; M96-L105 HydrophobicContact CE-CD1 4.42Å; M96-L105 HydrophobicContact SD-CD1 4.05Å
97	H	91.1	Very high	91.9	Very high	77 Å²	77	54.5 Å²	54.5	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-63.8	-42.4	172.6	-81.3	81.7	0	0	0	111.9	R54 L79 L80 K81	R54-H97 PolarHBondContact NH1-O 3.03Å; L79-H97 WeakPolarHBondContact CB-ND1 3.34Å; L79-H97 PolarHBondContact O-N 3.4Å; L79-H97 PolarHBondContact O-ND1 3.03Å; L80-H97 PolarHBondContact O-CE1 3.32Å; K81-H97 VanDerWaalsContact CA-CE1 3.49Å; K81-H97 WeakPolarHBondContact CA-CE1 3.41Å
98	V	91.8	Very high	92.3	Very high	59 Å²	59	51.4 Å²	51.4	36%	0.358	26%	0.256	S	S	.	.	S	Bend	trans	-116.6	147.3	-172.8	-179.8	0	0	0	0	110.2	E100 E101 A102	V98-E100 HydrophobicContact CG1-CB 4.18Å; V98-E100 WeakPolarHBondContact CG1-OE2 3.41Å; V98-E101 HydrophobicContact CB-CB 4.37Å; V98-E101 HydrophobicContact CB-CG 3.74Å; V98-E101 WeakPolarHBondContact CB-OE2 3.3Å; V98-E101 HydrophobicContact CG1-CG 4.19Å; V98-E101 PolarHBondContact N-OE2 3.12Å; V98-A102 PolarHBondContact O-N 3.45Å
99	L	91.8	Very high	92.7	Very high	52 Å²	52	40.9 Å²	40.9	27%	0.272	22%	0.217	S	C	.	.	H	α-helix	trans	-73.7	-40.1	-176	176.5	62.4	0	0	0	111.4	P52 R54 E101 A102 V103	P52-L99 HydrophobicContact CB-CD1 4.25Å; R54-L99 HydrophobicContact CG-CB 4.11Å; R54-L99 HydrophobicContact CG-CD1 4.28Å; L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3.38Å; L99-A102 WeakPolarHBondContact O-CB 3.36Å; L99-A102 PolarHBondContact O-N 3.24Å; L99-A102 VanDerWaalsContact O-N 3.09Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 2.72Å
100	E	92.4	Very high	92.9	Very high	117 Å²	117	43.3 Å²	43.3	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-34.4	-179	-65.3	66.7	-152.6	0	0	111.3	V98 V103 Q104	V98-E100 HydrophobicContact CG1-CB 4.18Å; V98-E100 WeakPolarHBondContact CG1-OE2 3.41Å; E100-V103 PolarHBondContact O-N 3.02Å; E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.42Å; E100-Q104 PolarHBondContact O-N 3.31Å; E100-Q104 PolarHBondContact O-NE2 2.86Å
101	E	91.6	Very high	92.9	Very high	41 Å²	41	47.1 Å²	47.1	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-45.1	172.2	-60.9	176	155.7	0	0	111	F77 G78 M96 V98 L99 V103 Q104 L105	F77-E101 WeakPolarHBondContact O-CB 3.34Å; F77-E101 WeakPolarHBondContact O-CG 3.41Å; G78-E101 WeakPolarHBondContact CA-OE1 3.41Å; G78-E101 WeakPolarHBondContact CA-OE2 3.31Å; M96-E101 HydrophobicContact CE-CB 4.13Å; V98-E101 HydrophobicContact CB-CB 4.37Å; V98-E101 HydrophobicContact CB-CG 3.74Å; V98-E101 WeakPolarHBondContact CB-OE2 3.3Å; V98-E101 HydrophobicContact CG1-CG 4.19Å; V98-E101 PolarHBondContact N-OE2 3.12Å; L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3.38Å; E101-V103 VanDerWaalsContact C-N 3.33Å; E101-V103 PolarHBondContact O-N 3.02Å; E101-Q104 PolarHBondContact O-N 3.33Å; E101-L105 WeakPolarHBondContact O-CB 3.28Å; E101-L105 PolarHBondContact O-N 3.25Å
102	A	93	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-36.9	176.7	0	0	0	0	0	112.4	S53 I56 M96 V98 L99 L105 V106	S53-A102 WeakPolarHBondContact O-CB 3.22Å; I56-A102 HydrophobicContact CD1-CB 3.67Å; I56-A102 HydrophobicContact CG1-CB 4.12Å; M96-A102 HydrophobicContact CB-CB 4.11Å; M96-A102 HydrophobicContact CG-CB 3.79Å; V98-A102 PolarHBondContact O-N 3.45Å; L99-A102 WeakPolarHBondContact O-CB 3.36Å; L99-A102 PolarHBondContact O-N 3.24Å; L99-A102 VanDerWaalsContact O-N 3.09Å; A102-L105 PolarHBondContact O-N 3.47Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.38Å; A102-V106 VanDerWaalsContact O-N 3.1Å
103	V	93.6	Very high	92.6	Very high	59 Å²	59	49.1 Å²	49.1	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-44.2	174.8	174.2	0	0	0	0	111.4	P52 L99 E100 E101 L105 V106 A107 F125	P52-V103 HydrophobicContact CB-CG2 3.99Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 2.72Å; E100-V103 PolarHBondContact O-N 3.02Å; E101-V103 VanDerWaalsContact C-N 3.33Å; E101-V103 PolarHBondContact O-N 3.02Å; V103-L105 VanDerWaalsContact C-N 3.33Å; V103-L105 PolarHBondContact O-N 3.01Å; V103-V106 PolarHBondContact O-N 3.47Å; V103-A107 VanDerWaalsContact O-CB 3.27Å; V103-A107 WeakPolarHBondContact O-CB 3.3Å; V103-A107 PolarHBondContact O-N 3.47Å; V103-F125 HydrophobicContact CB-CZ 4.35Å; V103-F125 HydrophobicContact CG2-CE1 4.13Å; V103-F125 HydrophobicContact CG2-CZ 3.88Å
104	Q	91.7	Very high	92.4	Very high	94 Å²	94	47.7 Å²	47.7	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-39.6	175.9	-73.1	172.8	60.7	0	0	112.3	F77 E100 E101 A107 H108	F77-Q104 HydrophobicContact CD1-CB 3.99Å; E100-Q104 VanDerWaalsContact O-CG 3.3Å; E100-Q104 WeakPolarHBondContact O-CG 3.42Å; E100-Q104 PolarHBondContact O-N 3.31Å; E100-Q104 PolarHBondContact O-NE2 2.86Å; E101-Q104 PolarHBondContact O-N 3.33Å; Q104-A107 PolarHBondContact O-N 2.75Å; Q104-H108 WeakPolarHBondContact O-CB 3.35Å; Q104-H108 PolarHBondContact O-N 2.92Å
105	L	93.3	Very high	92.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-52.6	177	-173.5	163.3	0	0	0	111.7	I56 A74 F77 I94 M96 E101 A102 V103 A107 H108 Y109 F123	I56-L105 HydrophobicContact CD1-CB 4.23Å; I56-L105 HydrophobicContact CD1-CD1 3.78Å; I56-L105 HydrophobicContact CD1-CD2 3.76Å; I56-L105 HydrophobicContact CD1-CG 4.16Å; I56-L105 HydrophobicContact CG2-CD2 4.27Å; A74-L105 HydrophobicContact CB-CD1 3.84Å; F77-L105 HydrophobicContact CB-CB 4.07Å; F77-L105 HydrophobicContact CD1-CB 4.05Å; F77-L105 HydrophobicContact CD2-CB 3.75Å; F77-L105 HydrophobicContact CD2-CD1 3.92Å; F77-L105 HydrophobicContact CD2-CG 3.64Å; F77-L105 HydrophobicContact CE1-CB 4.46Å; F77-L105 HydrophobicContact CE2-CB 4.22Å; F77-L105 HydrophobicContact CE2-CG 3.93Å; F77-L105 HydrophobicContact CG-CB 3.66Å; F77-L105 HydrophobicContact CG-CD1 4.43Å; F77-L105 HydrophobicContact CG-CG 4.11Å; I94-L105 HydrophobicContact CD1-CD1 3.89Å; M96-L105 HydrophobicContact CE-CD1 4.42Å; M96-L105 HydrophobicContact SD-CD1 4.05Å; E101-L105 WeakPolarHBondContact O-CB 3.28Å; E101-L105 PolarHBondContact O-N 3.25Å; A102-L105 PolarHBondContact O-N 3.47Å; V103-L105 VanDerWaalsContact C-N 3.33Å; V103-L105 PolarHBondContact O-N 3.01Å; L105-A107 PolarHBondContact O-N 3.07Å; L105-H108 PolarHBondContact O-N 3.08Å; L105-Y109 HydrophobicContact CD2-CD2 3.8Å; L105-Y109 HydrophobicContact CD2-CE2 4.17Å; L105-Y109 HydrophobicContact CG-CD2 4.19Å; L105-Y109 HydrophobicContact CG-CE2 4.17Å; L105-Y109 PolarHBondContact O-N 3.18Å; L105-Y109 VanDerWaalsContact O-N 3.08Å; L105-F123 HydrophobicContact CD2-CD1 3.54Å; L105-F123 HydrophobicContact CD2-CE1 4.07Å; L105-F123 HydrophobicContact CD2-CG 4.27Å
106	V	94.4	Very high	91.9	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-42.2	179.4	175.2	0	0	0	0	110.8	I56 A102 V103 H108 L110 F125	I56-V106 HydrophobicContact CD1-CG2 4.3Å; I56-V106 HydrophobicContact CG1-CG2 3.95Å; I56-V106 HydrophobicContact CG2-CG2 3.86Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.38Å; A102-V106 VanDerWaalsContact O-N 3.1Å; V103-V106 PolarHBondContact O-N 3.47Å; V106-H108 PolarHBondContact O-N 3.5Å; V106-L110 WeakPolarHBondContact O-CB 3.48Å; V106-L110 PolarHBondContact O-N 3.27Å; V106-F125 HydrophobicContact CB-CE1 4.21Å; V106-F125 HydrophobicContact CB-CE2 4.39Å; V106-F125 HydrophobicContact CB-CZ 3.96Å; V106-F125 HydrophobicContact CG1-CE2 4.15Å; V106-F125 HydrophobicContact CG1-CZ 4.23Å; V106-F125 HydrophobicContact CG2-CD1 4.08Å; V106-F125 HydrophobicContact CG2-CE1 3.79Å; V106-F125 HydrophobicContact CG2-CZ 4.06Å
107	A	93.4	Very high	91.6	Very high	58 Å²	58	55.1 Å²	55.1	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-37.2	178.2	0	0	0	0	0	113	V103 Q104 L105 K111	V103-A107 VanDerWaalsContact O-CB 3.27Å; V103-A107 WeakPolarHBondContact O-CB 3.3Å; V103-A107 PolarHBondContact O-N 3.47Å; Q104-A107 PolarHBondContact O-N 2.75Å; L105-A107 PolarHBondContact O-N 3.07Å; A107-K111 PolarHBondContact O-N 2.83Å
108	H	91.8	Very high	91.2	Very high	20 Å²	20	54 Å²	54	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-51.5	176.9	179.1	-77.5	0	0	0	111.6	F77 Q104 L105 V106 L110 K111 Y112 F191	F77-H108 HydrophobicContact CE1-CB 3.45Å; F77-H108 VanDerWaalsContact CE1-CB 3.45Å; F77-H108 AromaticContact CE1-CG 3.84Å; F77-H108 HydrophobicContact CZ-CB 3.54Å; F77-H108 AromaticContact CZ-CG 3.6Å; F77-H108 AromaticContact CZ-ND1 3.77Å; Q104-H108 WeakPolarHBondContact O-CB 3.35Å; Q104-H108 PolarHBondContact O-N 2.92Å; L105-H108 PolarHBondContact O-N 3.08Å; V106-H108 PolarHBondContact O-N 3.5Å; H108-L110 VanDerWaalsContact C-N 3.28Å; H108-L110 PolarHBondContact O-N 2.85Å; H108-K111 CarbonylContact O-C 3.58Å; H108-K111 WeakPolarHBondContact O-CA 3.25Å; H108-K111 PolarHBondContact O-N 2.9Å; H108-Y112 AromaticContact CD2-CD2 3.84Å; H108-Y112 AromaticContact CE1-CD2 3.91Å; H108-Y112 AromaticContact NE2-CD2 3.63Å; H108-Y112 PolarHBondContact O-N 2.98Å; H108-F191 PolarHBondContact NE2-O 3.39Å
109	Y	93.4	Very high	90.9	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-72.1	-19.4	-179	-71.2	-53.7	0	0	0	114.3	F73 F77 L105 Y112 V114 F123 V220	F73-Y109 WeakPolarHBondContact CA-OH 3.33Å; F73-Y109 HydrophobicContact CB-CE2 4.04Å; F73-Y109 WeakPolarHBondContact O-CE2 3.37Å; F73-Y109 PolarHBondContact O-OH 3.25Å; F77-Y109 HydrophobicContact CE2-CD2 4.44Å; F77-Y109 AromaticContact CE2-CE2 3.67Å; F77-Y109 HydrophobicContact CE2-CE2 3.67Å; F77-Y109 HydrophobicContact CZ-CE2 4.17Å; L105-Y109 HydrophobicContact CD2-CD2 3.8Å; L105-Y109 HydrophobicContact CD2-CE2 4.17Å; L105-Y109 HydrophobicContact CG-CD2 4.19Å; L105-Y109 HydrophobicContact CG-CE2 4.17Å; L105-Y109 PolarHBondContact O-N 3.18Å; L105-Y109 VanDerWaalsContact O-N 3.08Å; Y109-Y112 CarbonylContact O-C 3.59Å; Y109-V114 HydrophobicContact CD1-CB 3.86Å; Y109-V114 HydrophobicContact CD1-CG1 3.69Å; Y109-V114 HydrophobicContact CE1-CB 3.87Å; Y109-V114 HydrophobicContact CE1-CG1 3.83Å; Y109-V114 HydrophobicContact CE1-CG2 4.34Å; Y109-V114 HydrophobicContact CG-CG1 4.35Å; Y109-F123 HydrophobicContact CD1-CE2 4.49Å; Y109-F123 HydrophobicContact CD2-CD1 4.02Å; Y109-F123 AromaticContact CD2-CD2 3.92Å; Y109-F123 HydrophobicContact CD2-CD2 3.92Å; Y109-F123 AromaticContact CD2-CE1 3.97Å; Y109-F123 HydrophobicContact CD2-CE1 3.97Å; Y109-F123 AromaticContact CD2-CE2 3.9Å; Y109-F123 HydrophobicContact CD2-CE2 3.9Å; Y109-F123 AromaticContact CD2-CG 3.99Å; Y109-F123 HydrophobicContact CD2-CG 3.99Å; Y109-F123 AromaticContact CD2-CZ 3.92Å; Y109-F123 HydrophobicContact CD2-CZ 3.92Å; Y109-F123 HydrophobicContact CE2-CE1 4.18Å; Y109-F123 HydrophobicContact CE2-CE2 4.43Å; Y109-F123 HydrophobicContact CE2-CZ 4.08Å; Y109-F123 AromaticContact CG-CD2 3.88Å; Y109-F123 HydrophobicContact CG-CD2 3.88Å; Y109-F123 AromaticContact CG-CE2 3.96Å; Y109-F123 HydrophobicContact CG-CE2 3.96Å; Y109-F123 HydrophobicContact CG-CG 4.32Å; Y109-F123 HydrophobicContact CG-CZ 4.41Å; Y109-V220 HydrophobicContact CE1-CG1 4.46Å
110	L	92.6	Very high	90.8	Very high	141 Å²	141	57.1 Å²	57.1	74%	0.738	31%	0.306	S	S	*	.	H	α-helix	trans	-67.7	-36.8	166.4	-175	65.8	0	0	0	111.7	V106 H108	V106-L110 WeakPolarHBondContact O-CB 3.48Å; V106-L110 PolarHBondContact O-N 3.27Å; H108-L110 VanDerWaalsContact C-N 3.28Å; H108-L110 PolarHBondContact O-N 2.85Å
111	K	91.1	Very high	90.9	Very high	140 Å²	140	51.9 Å²	51.9	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-82.8	-32.7	178	-173.4	174.8	178.6	-174.3	0	113.2	A107 H108	A107-K111 PolarHBondContact O-N 2.83Å; H108-K111 CarbonylContact O-C 3.58Å; H108-K111 WeakPolarHBondContact O-CA 3.25Å; H108-K111 PolarHBondContact O-N 2.9Å
112	Y	90.6	Very high	90.9	Very high	27 Å²	27	53.8 Å²	53.8	11%	0.106	29%	0.292	C	S	.	.	S	Bend	trans	-126.4	80.8	-177	-60	-74.5	0	0	0	110.2	H108 Y109 V114 T193	H108-Y112 AromaticContact CD2-CD2 3.84Å; H108-Y112 AromaticContact CE1-CD2 3.91Å; H108-Y112 AromaticContact NE2-CD2 3.63Å; H108-Y112 PolarHBondContact O-N 2.98Å; Y109-Y112 CarbonylContact O-C 3.59Å; Y112-V114 PolarHBondContact O-N 3.43Å; Y112-T193 PolarHBondContact OH-N 2.75Å; Y112-T193 PolarHBondContact OH-OG1 2.75Å
113	P	90.2	Very high	91	Very high	80 Å²	80	54.5 Å²	54.5	52%	0.519	30%	0.295	S	S	.	.			trans	-62.2	122.4	-174.6	-24.8	35.4	0	0	0	112.8
114	V	90.1	Very high	91	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.055	30%	0.295	C	S	.	.			trans	-96.1	147.8	-175.7	71.6	0	0	0	0	112.3	F73 Y109 Y112 H120 L121 F123 L224	F73-V114 HydrophobicContact CD1-CG1 4.29Å; F73-V114 HydrophobicContact CD1-CG2 3.97Å; F73-V114 HydrophobicContact CE1-CB 4.47Å; F73-V114 HydrophobicContact CE1-CG1 4.25Å; F73-V114 HydrophobicContact CE1-CG2 3.42Å; F73-V114 VanDerWaalsContact CE1-CG2 3.42Å; F73-V114 HydrophobicContact CZ-CG2 4.25Å; Y109-V114 HydrophobicContact CD1-CB 3.86Å; Y109-V114 HydrophobicContact CD1-CG1 3.69Å; Y109-V114 HydrophobicContact CE1-CB 3.87Å; Y109-V114 HydrophobicContact CE1-CG1 3.83Å; Y109-V114 HydrophobicContact CE1-CG2 4.34Å; Y109-V114 HydrophobicContact CG-CG1 4.35Å; Y112-V114 PolarHBondContact O-N 3.43Å; V114-H120 WeakPolarHBondContact O-CA 3.26Å; V114-L121 HydrophobicContact CG1-CB 4.16Å; V114-L121 HydrophobicContact CG1-CD1 4.43Å; V114-L121 PolarHBondContact O-N 3.38Å; V114-F123 HydrophobicContact CG1-CE2 3.57Å; V114-F123 HydrophobicContact CG1-CZ 4.24Å; V114-L224 HydrophobicContact CG2-CD1 3.91Å
115	T	88.8	Confident	91.1	Very high	45 Å²	45	52.7 Å²	52.7	28%	0.276	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.6	179.6	50.2	0	0	0	0	111.4	K119 H120	T115-K119 CarbonylContact C-O 3.54Å; T115-K119 VanDerWaalsContact CA-O 3.24Å; T115-K119 WeakPolarHBondContact CA-O 3.45Å; T115-H120 WeakPolarHBondContact CG2-CE1 3.3Å; T115-H120 WeakPolarHBondContact CG2-ND1 3.44Å
116	L	89.4	Confident	91	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.6	169	-175.5	66.9	0	0	0	108.8	P62 A65 E69 I70 F73 G118 K119 L121	P62-L116 HydrophobicContact CG-CB 4.23Å; P62-L116 HydrophobicContact CG-CD2 3.88Å; P62-L116 HydrophobicContact CG-CG 3.87Å; A65-L116 HydrophobicContact CB-CD2 3.8Å; E69-L116 HydrophobicContact CB-CD1 4.24Å; E69-L116 HydrophobicContact CB-CD2 4.33Å; E69-L116 HydrophobicContact CG-CD1 4.47Å; I70-L116 HydrophobicContact CD1-CD2 3.88Å; F73-L116 HydrophobicContact CE2-CB 4.49Å; F73-L116 HydrophobicContact CE2-CD1 4.43Å; F73-L116 HydrophobicContact CE2-CD2 4.27Å; F73-L116 HydrophobicContact CZ-CB 4.31Å; F73-L116 HydrophobicContact CZ-CD1 4.24Å; L116-G118 PolarHBondContact O-N 3.19Å; L116-G118 VanDerWaalsContact O-N 3.15Å; L116-K119 PolarHBondContact N-O 3.49Å; L116-K119 PolarHBondContact O-N 2.8Å; L116-L121 HydrophobicContact CB-CD1 3.93Å; L116-L121 HydrophobicContact CB-CD2 4.31Å; L116-L121 HydrophobicContact CB-CG 4.11Å; L116-L121 HydrophobicContact CD2-CD1 4.44Å
117	H	86.8	Confident	90.7	Very high	97 Å²	97	58.3 Å²	58.3	45%	0.449	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	43.6	-178	-54.7	173.3	0	0	0	113.7	P62 D64 E69 K119	P62-H117 HydrophobicContact CB-CB 4.18Å; P62-H117 HydrophobicContact CG-CB 4.04Å; D64-H117 IonicContact OD1-ND1 2.9Å; D64-H117 IonicContact OD2-CE1 3.64Å; D64-H117 IonicContact OD2-CG 3.3Å; D64-H117 IonicContact OD2-ND1 3.65Å; D64-H117 PolarHBondContact OD2-ND1 2.9Å; E69-H117 IonicContact OE1-CE1 2.76Å; E69-H117 IonicContact OE1-NE2 2.75Å; E69-H117 PolarHBondContact OE1-NE2 3.28Å; H117-K119 VanDerWaalsContact C-N 3.25Å; H117-K119 PolarHBondContact O-N 2.82Å
118	G	82.5	Confident	90.3	Very high	53 Å²	53	60.5 Å²	60.5	55%	0.546	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-1.4	-179.5	0	0	0	0	0	115.7	L116	L116-G118 PolarHBondContact O-N 3.19Å; L116-G118 VanDerWaalsContact O-N 3.15Å
119	K	86.9	Confident	89.9	Confident	72 Å²	72	64.1 Å²	64.1	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.7	172.8	-64.4	-165.3	-174.7	-176.6	0	111.4	P62 T115 L116 H117 L121	P62-K119 HydrophobicContact CB-CD 4.01Å; P62-K119 HydrophobicContact CB-CG 4.41Å; T115-K119 CarbonylContact C-O 3.54Å; T115-K119 VanDerWaalsContact CA-O 3.24Å; T115-K119 WeakPolarHBondContact CA-O 3.45Å; L116-K119 PolarHBondContact N-O 3.49Å; L116-K119 PolarHBondContact O-N 2.8Å; H117-K119 VanDerWaalsContact C-N 3.25Å; H117-K119 PolarHBondContact O-N 2.82Å; K119-L121 PolarHBondContact O-N 3.38Å
120	H	89.9	Confident	89.6	Confident	105 Å²	105	67.7 Å²	67.7	49%	0.486	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.5	169.7	-66.4	-87.6	0	0	0	110	N60 V114 T115	N60-H120 WeakPolarHBondContact CB-O 3.5Å; N60-H120 PolarHBondContact ND2-O 2.63Å; V114-H120 WeakPolarHBondContact O-CA 3.26Å; T115-H120 WeakPolarHBondContact CG2-CE1 3.3Å; T115-H120 WeakPolarHBondContact CG2-ND1 3.44Å
121	L	92.9	Very high	89.2	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.042	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-81.6	138.4	172.6	-61.1	-175.6	0	0	0	109.3	I58 M61 F73 V114 L116 K119 F123	I58-L121 HydrophobicContact CG2-CB 4.25Å; I58-L121 HydrophobicContact CG2-CD1 4.32Å; I58-L121 HydrophobicContact CG2-CD2 4.28Å; M61-L121 HydrophobicContact CB-CD2 4.42Å; F73-L121 HydrophobicContact CD2-CD1 4.02Å; F73-L121 HydrophobicContact CE2-CD1 3.62Å; F73-L121 HydrophobicContact CZ-CD1 4.1Å; V114-L121 HydrophobicContact CG1-CB 4.16Å; V114-L121 HydrophobicContact CG1-CD1 4.43Å; V114-L121 PolarHBondContact O-N 3.38Å; L116-L121 HydrophobicContact CB-CD1 3.93Å; L116-L121 HydrophobicContact CB-CD2 4.31Å; L116-L121 HydrophobicContact CB-CG 4.11Å; L116-L121 HydrophobicContact CD2-CD1 4.44Å; K119-L121 PolarHBondContact O-N 3.38Å; L121-F123 HydrophobicContact CB-CD2 4.34Å; L121-F123 HydrophobicContact CB-CE2 3.65Å; L121-F123 HydrophobicContact CB-CZ 4.36Å; L121-F123 HydrophobicContact CD1-CE2 4.31Å; L121-F123 HydrophobicContact CD1-CZ 4.26Å
122	I	93	Very high	88.6	Confident	81 Å²	81	63.4 Å²	63.4	42%	0.415	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.9	178.3	-61	166.9	0	0	0	108.2	I58 R59 Q124	I58-I122 CarbonylContact C-O 3.6Å; I58-I122 WeakPolarHBondContact CA-O 3.43Å; R59-I122 HydrophobicContact CB-CB 4.25Å; R59-I122 PolarHBondContact N-O 2.89Å; R59-I122 PolarHBondContact O-N 3.09Å; R59-I122 VanDerWaalsContact O-N 3.08Å; I122-Q124 HydrophobicContact CG2-CG 4.01Å
123	F	94.1	Very high	87.9	Confident	15 Å²	15	65.6 Å²	65.6	7%	0.066	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.8	179.4	-66.6	-103	0	0	0	109.7	I56 I58 F73 L105 Y109 V114 L121	I56-F123 HydrophobicContact CG2-CB 4.23Å; I56-F123 HydrophobicContact CG2-CD1 4.07Å; I58-F123 HydrophobicContact CD1-CD1 4.18Å; I58-F123 HydrophobicContact CD1-CE1 3.58Å; I58-F123 HydrophobicContact CD1-CZ 4.23Å; I58-F123 HydrophobicContact CG1-CD1 3.78Å; I58-F123 HydrophobicContact CG1-CE1 3.67Å; I58-F123 HydrophobicContact CG1-CZ 4.38Å; I58-F123 HydrophobicContact CG2-CE1 4.44Å; I58-F123 HydrophobicContact CG2-CZ 4.34Å; F73-F123 HydrophobicContact CB-CE1 4.36Å; F73-F123 HydrophobicContact CB-CZ 4.03Å; F73-F123 HydrophobicContact CG-CZ 4.26Å; L105-F123 HydrophobicContact CD2-CD1 3.54Å; L105-F123 HydrophobicContact CD2-CE1 4.07Å; L105-F123 HydrophobicContact CD2-CG 4.27Å; Y109-F123 HydrophobicContact CD1-CE2 4.49Å; Y109-F123 HydrophobicContact CD2-CD1 4.02Å; Y109-F123 AromaticContact CD2-CD2 3.92Å; Y109-F123 HydrophobicContact CD2-CD2 3.92Å; Y109-F123 AromaticContact CD2-CE1 3.97Å; Y109-F123 HydrophobicContact CD2-CE1 3.97Å; Y109-F123 AromaticContact CD2-CE2 3.9Å; Y109-F123 HydrophobicContact CD2-CE2 3.9Å; Y109-F123 AromaticContact CD2-CG 3.99Å; Y109-F123 HydrophobicContact CD2-CG 3.99Å; Y109-F123 AromaticContact CD2-CZ 3.92Å; Y109-F123 HydrophobicContact CD2-CZ 3.92Å; Y109-F123 HydrophobicContact CE2-CE1 4.18Å; Y109-F123 HydrophobicContact CE2-CE2 4.43Å; Y109-F123 HydrophobicContact CE2-CZ 4.08Å; Y109-F123 AromaticContact CG-CD2 3.88Å; Y109-F123 HydrophobicContact CG-CD2 3.88Å; Y109-F123 AromaticContact CG-CE2 3.96Å; Y109-F123 HydrophobicContact CG-CE2 3.96Å; Y109-F123 HydrophobicContact CG-CG 4.32Å; Y109-F123 HydrophobicContact CG-CZ 4.41Å; V114-F123 HydrophobicContact CG1-CE2 3.57Å; V114-F123 HydrophobicContact CG1-CZ 4.24Å; L121-F123 HydrophobicContact CB-CD2 4.34Å; L121-F123 HydrophobicContact CB-CE2 3.65Å; L121-F123 HydrophobicContact CB-CZ 4.36Å; L121-F123 HydrophobicContact CD1-CE2 4.31Å; L121-F123 HydrophobicContact CD1-CZ 4.26Å
124	Q	93.4	Very high	86.9	Confident	76 Å²	76	68.9 Å²	68.9	36%	0.355	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.1	-179.2	-70.2	178.1	-31.9	0	0	109.2	I56 H57 R59 I122 S126	I56-Q124 CarbonylContact C-O 3.52Å; I56-Q124 WeakPolarHBondContact CA-O 3.5Å; I56-Q124 WeakPolarHBondContact CG2-O 3.37Å; H57-Q124 PolarHBondContact N-O 2.76Å; H57-Q124 PolarHBondContact O-N 3.2Å; R59-Q124 VanDerWaalsContact CD-OE1 3.24Å; I122-Q124 HydrophobicContact CG2-CG 4.01Å; Q124-S126 PolarHBondContact O-N 2.83Å
125	F	94.7	Very high	85.8	Confident	39 Å²	39	71.4 Å²	71.4	17%	0.171	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.1	171.1	-62.5	-66.3	0	0	0	110.7	A50 P52 S53 V103 V106	A50-F125 HydrophobicContact CB-CB 4.12Å; P52-F125 HydrophobicContact CB-CE1 4.42Å; P52-F125 HydrophobicContact CB-CE2 4.41Å; P52-F125 HydrophobicContact CB-CZ 4.24Å; P52-F125 HydrophobicContact CG-CE2 4.36Å; S53-F125 WeakPolarHBondContact O-CD1 3.35Å; V103-F125 HydrophobicContact CB-CZ 4.35Å; V103-F125 HydrophobicContact CG2-CE1 4.13Å; V103-F125 HydrophobicContact CG2-CZ 3.88Å; V106-F125 HydrophobicContact CB-CE1 4.21Å; V106-F125 HydrophobicContact CB-CE2 4.39Å; V106-F125 HydrophobicContact CB-CZ 3.96Å; V106-F125 HydrophobicContact CG1-CE2 4.15Å; V106-F125 HydrophobicContact CG1-CZ 4.23Å; V106-F125 HydrophobicContact CG2-CD1 4.08Å; V106-F125 HydrophobicContact CG2-CE1 3.79Å; V106-F125 HydrophobicContact CG2-CZ 4.06Å
126	S	90.7	Very high	84.9	Confident	9 Å²	9	77 Å²	77	6%	0.063	41%	0.406	C	S	.	.			trans	-80.5	154.1	171.1	-167.1	0	0	0	0	110.7	V55 Q124 H128	V55-S126 VanDerWaalsContact O-CB 3.31Å; V55-S126 WeakPolarHBondContact O-CB 3.18Å; V55-S126 PolarHBondContact O-N 2.91Å; Q124-S126 PolarHBondContact O-N 2.83Å; S126-H128 PolarHBondContact O-N 3.38Å; S126-H128 PolarHBondContact OG-CD2 3.36Å; S126-H128 PolarHBondContact OG-N 2.86Å
127	T	88.5	Confident	84.5	Confident	124 Å²	124	79.1 Å²	79.1	76%	0.761	42%	0.418	S	S	*	.	S	Bend	trans	-70.8	-13.1	168.5	51.4	0	0	0	0	113
128	H	85.7	Confident	84.5	Confident	105 Å²	105	80.1 Å²	80.1	49%	0.486	43%	0.427	S	S	.	.			trans	-86.7	142.4	174.8	-60.6	-78.3	0	0	0	110.6	S53 V55 S126	S53-H128 PolarHBondContact OG-O 3.4Å; V55-H128 WeakPolarHBondContact CB-O 3.48Å; S126-H128 PolarHBondContact O-N 3.38Å; S126-H128 PolarHBondContact OG-CD2 3.36Å; S126-H128 PolarHBondContact OG-N 2.86Å
129	S	82.4	Confident	84.7	Confident	96 Å²	96	79.8 Å²	79.8	67%	0.671	42%	0.418	S	S	*	.	S	Bend	trans	-89.2	-21.2	176.2	53	0	0	0	0	114
130	H	86.6	Confident	84.8	Confident	85 Å²	85	77.3 Å²	77.3	39%	0.394	41%	0.408	S	S	.	.	S	Bend	trans	-150	155.9	-178.8	-168.5	-66.9	0	0	0	108.5	K81 E95	K81-H130 PolarHBondContact NZ-CD2 2.98Å; K81-H130 PolarHBondContact NZ-NE2 2.81Å; E95-H130 IonicContact OE1-CD2 3.24Å; E95-H130 PolarHBondContact OE1-CD2 2.79Å; E95-H130 VanDerWaalsContact OE1-CD2 3.24Å; E95-H130 IonicContact OE1-CE1 3.87Å; E95-H130 IonicContact OE1-CG 3.44Å; E95-H130 IonicContact OE1-ND1 3.84Å; E95-H130 IonicContact OE1-NE2 3.54Å; E95-H130 IonicContact OE2-CE1 3.65Å; E95-H130 IonicContact OE2-CG 3.65Å; E95-H130 IonicContact OE2-ND1 3.37Å; E95-H130 PolarHBondContact OE2-ND1 2.99Å
131	L	85.4	Confident	84.8	Confident	11 Å²	11	74 Å²	74	6%	0.058	40%	0.396	C	S	.	.			trans	-95.4	122.4	171.5	-66.5	176.3	0	0	0	111.3	V55 N82 V84 L93 E95	V55-L131 HydrophobicContact CG1-CD1 4.36Å; V55-L131 HydrophobicContact CG1-CD2 3.65Å; V55-L131 HydrophobicContact CG1-CG 3.93Å; V55-L131 HydrophobicContact CG2-CD2 4.4Å; V55-L131 HydrophobicContact CG2-CG 4.09Å; N82-L131 HydrophobicContact CB-CB 4.03Å; N82-L131 HydrophobicContact CB-CD1 4.07Å; V84-L131 HydrophobicContact CG2-CD1 4.32Å; L93-L131 HydrophobicContact CB-CD1 4.07Å; L93-L131 HydrophobicContact CB-CD2 3.82Å; L93-L131 HydrophobicContact CD1-CD2 3.88Å; L93-L131 HydrophobicContact CG-CD2 4.4Å; E95-L131 HydrophobicContact CB-CD1 3.91Å; E95-L131 HydrophobicContact CB-CG 4.12Å; E95-L131 PolarHBondContact OE2-N 2.83Å
132	E	77	Confident	84.7	Confident	181 Å²	181	77.4 Å²	77.4	85%	0.846	41%	0.414	S	S	*	.			trans	-90	115.7	170.2	-69.2	-179.9	179.7	0	0	109.3
133	L	77.2	Confident	84.6	Confident	72 Å²	72	73.6 Å²	73.6	38%	0.377	39%	0.394	S	S	.	.			trans	-93.8	110.3	-178.6	-59.8	-179.3	0	0	0	110	N82 V84 S135	N82-L133 HydrophobicContact CB-CD1 4.41Å; N82-L133 WeakPolarHBondContact OD1-CD1 3.29Å; V84-L133 HydrophobicContact CG2-CD2 3.48Å; V84-L133 VanDerWaalsContact CG2-CD2 3.48Å; L133-S135 VanDerWaalsContact C-N 3.31Å
134	I	68.9	Low	84.4	Confident	149 Å²	149	73.7 Å²	73.7	76%	0.764	40%	0.395	S	S	*	.	S	Bend	trans	-74.6	-25.9	178.3	-57.1	172.3	0	0	0	111.4
135	S	66	Low	84.3	Confident	63 Å²	63	75.8 Å²	75.8	44%	0.441	40%	0.403	S	S	.	.	S	Bend	trans	-149.8	130.3	177.8	59.3	0	0	0	0	109.7	L133	L133-S135 VanDerWaalsContact C-N 3.31Å
136	E	70.7	Confident	84.1	Confident	162 Å²	162	77.9 Å²	77.9	76%	0.757	42%	0.416	S	S	*	.			trans	-68.4	134.6	168.8	-63.9	-173.6	179.7	0	0	109.8
137	N	81.1	Confident	83.9	Confident	59 Å²	59	77.7 Å²	77.7	32%	0.316	42%	0.415	S	S	.	.			trans	-115	112.9	172.1	175.5	-6.9	0	0	0	107.1	A139 I140 V141	N137-A139 PolarHBondContact O-N 3.08Å; N137-A139 VanDerWaalsContact O-N 3.09Å; N137-A139 WeakPolarHBondContact OD1-CB 3.23Å; N137-A139 PolarHBondContact OD1-N 2.97Å; N137-A139 VanDerWaalsContact OD1-N 3.1Å; N137-I140 HydrophobicContact CB-CB 4.34Å; N137-I140 HydrophobicContact CB-CD1 4.14Å; N137-I140 HydrophobicContact CB-CG1 4.21Å; N137-I140 WeakPolarHBondContact O-CA 3.23Å; N137-I140 WeakPolarHBondContact O-CB 3.19Å; N137-I140 PolarHBondContact O-N 2.93Å; N137-V141 PolarHBondContact O-N 3.49Å
138	D	86.9	Confident	84	Confident	118 Å²	118	73 Å²	73	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-52.6	-34.6	-177	-67.9	-49.7	0	0	0	112.9	I140 V141 N142	D138-I140 PolarHBondContact O-N 2.8Å; D138-V141 PolarHBondContact O-N 3.19Å; D138-N142 WeakPolarHBondContact O-CB 3.46Å; D138-N142 PolarHBondContact O-N 3.36Å; D138-N142 PolarHBondContact O-ND2 3.3Å
139	A	87.3	Confident	84	Confident	45 Å²	45	75.1 Å²	75.1	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-40.6	177	0	0	0	0	0	112.3	N137 A143	N137-A139 PolarHBondContact O-N 3.08Å; N137-A139 VanDerWaalsContact O-N 3.09Å; N137-A139 WeakPolarHBondContact OD1-CB 3.23Å; N137-A139 PolarHBondContact OD1-N 2.97Å; N137-A139 VanDerWaalsContact OD1-N 3.1Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 2.94Å
140	I	88.3	Confident	83.8	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.108	37%	0.369	C	S	.	.	H	α-helix	trans	-70.8	-46.2	176.7	-66.5	179.5	0	0	0	110.3	E67 M83 N137 D138 N142 A143 I144	E67-I140 HydrophobicContact CB-CG1 4.44Å; E67-I140 HydrophobicContact CG-CG1 3.66Å; M83-I140 HydrophobicContact CB-CG2 3.98Å; M83-I140 HydrophobicContact CE-CG2 4.04Å; M83-I140 HydrophobicContact CG-CG2 4.46Å; M83-I140 WeakPolarHBondContact O-CG2 3.47Å; N137-I140 HydrophobicContact CB-CB 4.34Å; N137-I140 HydrophobicContact CB-CD1 4.14Å; N137-I140 HydrophobicContact CB-CG1 4.21Å; N137-I140 WeakPolarHBondContact O-CA 3.23Å; N137-I140 WeakPolarHBondContact O-CB 3.19Å; N137-I140 PolarHBondContact O-N 2.93Å; D138-I140 PolarHBondContact O-N 2.8Å; I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.85Å; I140-A143 PolarHBondContact O-N 3.42Å; I140-I144 HydrophobicContact CG2-CD1 3.89Å; I140-I144 HydrophobicContact CG2-CG1 4.47Å; I140-I144 WeakPolarHBondContact O-CG1 3.5Å; I140-I144 PolarHBondContact O-N 3.49Å
141	V	89.6	Confident	83.3	Confident	36 Å²	36	69 Å²	69	22%	0.218	35%	0.354	C	S	.	.	H	α-helix	trans	-61.1	-42.1	179.6	174.8	0	0	0	0	110.6	N137 D138 K145	N137-V141 PolarHBondContact O-N 3.49Å; D138-V141 PolarHBondContact O-N 3.19Å; V141-K145 HydrophobicContact CG1-CD 4.09Å; V141-K145 WeakPolarHBondContact O-CB 3.27Å; V141-K145 VanDerWaalsContact O-CG 3.26Å; V141-K145 WeakPolarHBondContact O-CG 3.23Å; V141-K145 PolarHBondContact O-N 3.32Å
142	N	91.2	Very high	82.3	Confident	79 Å²	79	75.1 Å²	75.1	42%	0.422	38%	0.382	S	S	.	.	H	α-helix	trans	-69.7	-37.9	175.9	-69.1	-29.3	0	0	0	112.1	D138 I140 K145 N146	D138-N142 WeakPolarHBondContact O-CB 3.46Å; D138-N142 PolarHBondContact O-N 3.36Å; D138-N142 PolarHBondContact O-ND2 3.3Å; I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.85Å; N142-K145 PolarHBondContact O-N 3.48Å; N142-N146 VanDerWaalsContact O-CB 3.31Å; N142-N146 WeakPolarHBondContact O-CB 3.4Å; N142-N146 PolarHBondContact O-N 2.9Å; N142-N146 PolarHBondContact O-ND2 3.36Å
143	A	90	Very high	81.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-46	173.8	0	0	0	0	0	112.3	E67 N68 M83 A139 I140 N146 A147	E67-A143 HydrophobicContact CB-CB 3.71Å; N68-A143 WeakPolarHBondContact OD1-CA 3.45Å; N68-A143 WeakPolarHBondContact OD1-CB 3.48Å; M83-A143 HydrophobicContact CE-CB 4.14Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 2.94Å; I140-A143 PolarHBondContact O-N 3.42Å; A143-N146 PolarHBondContact O-N 3.42Å; A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 2.91Å
144	I	90.8	Very high	80.3	Confident	18 Å²	18	72.6 Å²	72.6	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-47.4	175.1	-66.4	166.7	0	0	0	110.6	L80 M83 I140 N146 A147 N148	L80-I144 HydrophobicContact CB-CG1 4.49Å; L80-I144 HydrophobicContact CB-CG2 4.01Å; L80-I144 WeakPolarHBondContact O-CG2 3.48Å; M83-I144 HydrophobicContact CB-CD1 3.99Å; M83-I144 HydrophobicContact CB-CG1 4.29Å; M83-I144 HydrophobicContact CE-CG1 4.34Å; I140-I144 HydrophobicContact CG2-CD1 3.89Å; I140-I144 HydrophobicContact CG2-CG1 4.47Å; I140-I144 WeakPolarHBondContact O-CG1 3.5Å; I140-I144 PolarHBondContact O-N 3.49Å; I144-N146 PolarHBondContact O-N 3.1Å; I144-A147 PolarHBondContact O-N 3.27Å; I144-N148 VanDerWaalsContact O-CB 3.3Å; I144-N148 WeakPolarHBondContact O-CB 3.14Å; I144-N148 VanDerWaalsContact O-CG 3.3Å; I144-N148 PolarHBondContact O-N 3.28Å
145	K	91.1	Very high	79.6	Confident	120 Å²	120	67.6 Å²	67.6	52%	0.522	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-45.9	177.2	-75.2	169.9	-177.1	170.9	0	111.8	V141 N142 R149	V141-K145 HydrophobicContact CG1-CD 4.09Å; V141-K145 WeakPolarHBondContact O-CB 3.27Å; V141-K145 VanDerWaalsContact O-CG 3.26Å; V141-K145 WeakPolarHBondContact O-CG 3.23Å; V141-K145 PolarHBondContact O-N 3.32Å; N142-K145 PolarHBondContact O-N 3.48Å; K145-R149 VanDerWaalsContact O-CG 3.28Å; K145-R149 WeakPolarHBondContact O-CG 3.38Å; K145-R149 PolarHBondContact O-N 3.43Å; K145-R149 VanDerWaalsContact O-N 3.08Å
146	N	90.5	Very high	78.8	Confident	83 Å²	83	68.1 Å²	68.1	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-49.4	178.9	-72.7	-20.3	0	0	0	111.3	N142 A143 I144 N148 R149 V150	N142-N146 VanDerWaalsContact O-CB 3.31Å; N142-N146 WeakPolarHBondContact O-CB 3.4Å; N142-N146 PolarHBondContact O-N 2.9Å; N142-N146 PolarHBondContact O-ND2 3.36Å; A143-N146 PolarHBondContact O-N 3.42Å; I144-N146 PolarHBondContact O-N 3.1Å; N146-N148 PolarHBondContact O-N 3.3Å; N146-R149 WeakPolarHBondContact O-CB 3.39Å; N146-R149 PolarHBondContact O-N 3.41Å; N146-R149 VanDerWaalsContact O-N 3.13Å; N146-V150 PolarHBondContact O-N 3.2Å
147	A	86.8	Confident	77.9	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-46	-179.3	0	0	0	0	0	111.2	A71 I75 A143 I144 R149 V150 V151	A71-A147 HydrophobicContact CB-CB 3.66Å; I75-A147 HydrophobicContact CD1-CB 4.23Å; I75-A147 HydrophobicContact CG2-CB 3.51Å; A143-A147 VanDerWaalsContact O-CB 3.26Å; A143-A147 WeakPolarHBondContact O-CB 3.3Å; A143-A147 PolarHBondContact O-N 2.91Å; I144-A147 PolarHBondContact O-N 3.27Å; A147-R149 VanDerWaalsContact C-N 3.25Å; A147-R149 PolarHBondContact O-N 3.32Å; A147-V150 WeakPolarHBondContact O-CB 3.32Å; A147-V150 PolarHBondContact O-N 3.12Å; A147-V150 VanDerWaalsContact O-N 3.1Å; A147-V151 PolarHBondContact O-N 3.02Å
148	N	89.3	Confident	76.5	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.134	31%	0.314	C	S	.	.	H	α-helix	trans	-64.6	-24.4	175.9	-72.7	-14.3	0	0	0	113.5	L79 L80 I144 N146 V151 Q152	L79-N148 HydrophobicContact CD2-CB 3.91Å; L80-N148 PolarHBondContact N-OD1 2.91Å; L80-N148 PolarHBondContact O-ND2 2.55Å; I144-N148 VanDerWaalsContact O-CB 3.3Å; I144-N148 WeakPolarHBondContact O-CB 3.14Å; I144-N148 VanDerWaalsContact O-CG 3.3Å; I144-N148 PolarHBondContact O-N 3.28Å; N146-N148 PolarHBondContact O-N 3.3Å; N148-V151 WeakPolarHBondContact O-CB 3.47Å; N148-Q152 PolarHBondContact O-N 2.78Å
149	R	86.3	Confident	74.6	Confident	150 Å²	150	62.3 Å²	62.3	57%	0.566	32%	0.322	S	S	*	.	H	α-helix	trans	-73.8	-33.4	171.9	-74.2	177.9	86.3	-111.4	-0.6	112.7	K145 N146 A147 V151 Q152 Q153	K145-R149 VanDerWaalsContact O-CG 3.28Å; K145-R149 WeakPolarHBondContact O-CG 3.38Å; K145-R149 PolarHBondContact O-N 3.43Å; K145-R149 VanDerWaalsContact O-N 3.08Å; N146-R149 WeakPolarHBondContact O-CB 3.39Å; N146-R149 PolarHBondContact O-N 3.41Å; N146-R149 VanDerWaalsContact O-N 3.13Å; A147-R149 VanDerWaalsContact C-N 3.25Å; A147-R149 PolarHBondContact O-N 3.32Å; R149-V151 VanDerWaalsContact C-N 3.32Å; R149-Q152 PolarHBondContact O-N 3.14Å; R149-Q152 VanDerWaalsContact O-N 3.14Å; R149-Q153 PolarHBondContact O-N 3.14Å; R149-Q153 VanDerWaalsContact O-N 3.14Å
150	V	79.6	Confident	73	Confident	42 Å²	42	65 Å²	65	26%	0.255	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174.5	177	0	0	0	0	110.6	I75 N146 A147 Q152 Q153 D154 F219 L223	I75-V150 HydrophobicContact CD1-CB 3.94Å; I75-V150 HydrophobicContact CD1-CG1 4.03Å; N146-V150 PolarHBondContact O-N 3.2Å; A147-V150 WeakPolarHBondContact O-CB 3.32Å; A147-V150 PolarHBondContact O-N 3.12Å; A147-V150 VanDerWaalsContact O-N 3.1Å; V150-Q152 VanDerWaalsContact C-N 3.3Å; V150-Q152 PolarHBondContact O-N 3.13Å; V150-Q153 PolarHBondContact O-N 2.8Å; V150-D154 PolarHBondContact O-N 3.06Å; V150-F219 HydrophobicContact CG1-CE2 4.37Å; V150-F219 HydrophobicContact CG1-CZ 4.4Å; V150-L223 HydrophobicContact CG1-CD2 3.86Å
151	V	74.9	Confident	71.5	Confident	12 Å²	12	67 Å²	67	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-51.9	-50.6	169.9	-177.5	0	0	0	0	110.4	I75 L79 A147 N148 R149 Q153 L155	I75-V151 HydrophobicContact CB-CG2 3.57Å; I75-V151 HydrophobicContact CG2-CG2 3.93Å; L79-V151 HydrophobicContact CD2-CB 4.14Å; L79-V151 HydrophobicContact CD2-CG1 4.02Å; L79-V151 HydrophobicContact CD2-CG2 4.27Å; A147-V151 PolarHBondContact O-N 3.02Å; N148-V151 WeakPolarHBondContact O-CB 3.47Å; R149-V151 VanDerWaalsContact C-N 3.32Å; V151-Q153 VanDerWaalsContact C-N 3.33Å; V151-Q153 PolarHBondContact O-N 2.8Å; V151-L155 HydrophobicContact CG1-CD1 3.74Å; V151-L155 HydrophobicContact CG1-CD2 3.99Å; V151-L155 HydrophobicContact CG1-CG 4.43Å; V151-L155 VanDerWaalsContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 WeakPolarHBondContact O-CD1 3.3Å; V151-L155 PolarHBondContact O-N 3.44Å
152	Q	65.4	Low	70.2	Confident	138 Å²	138	69.8 Å²	69.8	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-68.3	-24.8	-175.6	-68.1	178.1	0.6	0	0	114.7	N148 R149 V150	N148-Q152 PolarHBondContact O-N 2.78Å; R149-Q152 PolarHBondContact O-N 3.14Å; R149-Q152 VanDerWaalsContact O-N 3.14Å; V150-Q152 VanDerWaalsContact C-N 3.3Å; V150-Q152 PolarHBondContact O-N 3.13Å
153	Q	56.4	Low	69.1	Low	131 Å²	131	68.4 Å²	68.4	61%	0.612	37%	0.372	S	S	*	.	H	α-helix	trans	-81.3	-38.2	-178.7	-74.9	-171.4	-77.4	0	0	113.8	R149 V150 V151 P156	R149-Q153 PolarHBondContact O-N 3.14Å; R149-Q153 VanDerWaalsContact O-N 3.14Å; V150-Q153 PolarHBondContact O-N 2.8Å; V151-Q153 VanDerWaalsContact C-N 3.33Å; V151-Q153 PolarHBondContact O-N 2.8Å; Q153-P156 VanDerWaalsContact O-CD 3.3Å; Q153-P156 WeakPolarHBondContact O-CD 3.46Å
154	D	55.8	Low	68.6	Low	70 Å²	70	68.9 Å²	68.9	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-107.6	0.6	-173.3	-73	-49.6	0	0	0	115.2	V150 P156 F241	V150-D154 PolarHBondContact O-N 3.06Å; D154-P156 VanDerWaalsContact O-CD 3.25Å; D154-P156 WeakPolarHBondContact O-CD 3.47Å; D154-F241 HydrophobicContact CB-CD2 4.14Å; D154-F241 HydrophobicContact CB-CE2 4.18Å
155	L	53.4	Low	68.5	Low	43 Å²	43	69.7 Å²	69.7	23%	0.225	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-71.7	4.5	167.6	-100.5	72.6	0	0	0	118.9	V151 G157 A158 Q159 F219	V151-L155 HydrophobicContact CG1-CD1 3.74Å; V151-L155 HydrophobicContact CG1-CD2 3.99Å; V151-L155 HydrophobicContact CG1-CG 4.43Å; V151-L155 VanDerWaalsContact O-CB 3.3Å; V151-L155 WeakPolarHBondContact O-CB 3.33Å; V151-L155 WeakPolarHBondContact O-CD1 3.3Å; V151-L155 PolarHBondContact O-N 3.44Å; L155-G157 PolarHBondContact O-N 2.91Å; L155-A158 HydrophobicContact CB-CB 4.22Å; L155-A158 HydrophobicContact CD2-CB 3.9Å; L155-A158 HydrophobicContact CG-CB 3.64Å; L155-A158 PolarHBondContact O-N 2.7Å; L155-Q159 PolarHBondContact O-N 2.98Å; L155-Q159 VanDerWaalsContact O-N 3.1Å; L155-F219 HydrophobicContact CD1-CE1 3.9Å
156	P	48.4	Very low	68.5	Low	75 Å²	75	64 Å²	64	49%	0.487	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-54.8	-21	176	-30.1	37.4	0	0	0	115.4	Q153 D154 T160	Q153-P156 VanDerWaalsContact O-CD 3.3Å; Q153-P156 WeakPolarHBondContact O-CD 3.46Å; D154-P156 VanDerWaalsContact O-CD 3.25Å; D154-P156 WeakPolarHBondContact O-CD 3.47Å; P156-T160 WeakPolarHBondContact O-CG2 3.02Å; P156-T160 PolarHBondContact O-OG1 3.13Å
157	G	52.9	Low	68.6	Low	2 Å²	2	60.1 Å²	60.1	2%	0.021	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-76	-40.7	168.4	0	0	0	0	0	114.1	L155 T160 G161 V162	L155-G157 PolarHBondContact O-N 2.91Å; G157-T160 PolarHBondContact O-N 3.34Å; G157-T160 PolarHBondContact O-OG1 3.21Å; G157-T160 VanDerWaalsContact O-OG1 3.12Å; G157-G161 PolarHBondContact O-N 3.43Å; G157-V162 CarbonylContact O-C 3.59Å; G157-V162 VanDerWaalsContact O-C 3.22Å; G157-V162 PolarHBondContact O-N 3.3Å
158	A	51.1	Low	68.8	Low	43 Å²	43	60.8 Å²	60.8	36%	0.355	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-38	-178.8	0	0	0	0	0	112.4	L155 T160 G161	L155-A158 HydrophobicContact CB-CB 4.22Å; L155-A158 HydrophobicContact CD2-CB 3.9Å; L155-A158 HydrophobicContact CG-CB 3.64Å; L155-A158 PolarHBondContact O-N 2.7Å; A158-T160 VanDerWaalsContact C-N 3.25Å; A158-T160 PolarHBondContact O-N 3.01Å; A158-G161 PolarHBondContact O-N 3.39Å
159	Q	48.4	Very low	69.1	Low	172 Å²	172	59.7 Å²	59.7	80%	0.804	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.8	174.8	-67.7	-164.2	20.4	0	0	113.4	L155	L155-Q159 PolarHBondContact O-N 2.98Å; L155-Q159 VanDerWaalsContact O-N 3.1Å
160	T	52.7	Low	69.4	Low	100 Å²	100	53 Å²	53	61%	0.613	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	7.8	177.6	51.5	0	0	0	0	113.4	P156 G157 A158 V162	P156-T160 WeakPolarHBondContact O-CG2 3.02Å; P156-T160 PolarHBondContact O-OG1 3.13Å; G157-T160 PolarHBondContact O-N 3.34Å; G157-T160 PolarHBondContact O-OG1 3.21Å; G157-T160 VanDerWaalsContact O-OG1 3.12Å; A158-T160 VanDerWaalsContact C-N 3.25Å; A158-T160 PolarHBondContact O-N 3.01Å; T160-V162 PolarHBondContact O-N 3.24Å; T160-V162 VanDerWaalsContact O-N 3.14Å
161	G	56.2	Low	70	Confident	64 Å²	64	51 Å²	51	66%	0.66	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-4.3	177.4	0	0	0	0	0	115.4	G157 A158 P163	G157-G161 PolarHBondContact O-N 3.43Å; A158-G161 PolarHBondContact O-N 3.39Å; G161-P163 WeakPolarHBondContact O-CD 3.43Å
162	V	63.9	Low	70.6	Confident	95 Å²	95	52.3 Å²	52.3	58%	0.576	30%	0.302	S	S	*	.			trans	-122.9	77.4	176.9	-169.3	0	0	0	0	108.5	G157 T160	G157-V162 CarbonylContact O-C 3.59Å; G157-V162 VanDerWaalsContact O-C 3.22Å; G157-V162 PolarHBondContact O-N 3.3Å; T160-V162 PolarHBondContact O-N 3.24Å; T160-V162 VanDerWaalsContact O-N 3.14Å
163	P	68.2	Low	71.4	Confident	50 Å²	50	48.5 Å²	48.5	33%	0.325	29%	0.286	S	S	.	.			trans	-70	141.1	-177.1	34.1	-38	0	0	0	109.7	G161 T165 H215	G161-P163 WeakPolarHBondContact O-CD 3.43Å; P163-T165 PolarHBondContact O-N 3.35Å; P163-H215 HydrophobicContact CB-CB 3.65Å; P163-H215 HydrophobicContact CG-CB 3.97Å
164	N	79.1	Confident	72.5	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.048	27%	0.267	C	S	.	.			trans	-76.6	121.8	-169.5	-163	6.7	0	0	0	111.4	V166 H215 F241 W242 R245	N164-V166 PolarHBondContact ND2-O 3Å; N164-V166 PolarHBondContact OD1-N 3.34Å; N164-V166 VanDerWaalsContact OD1-N 3.16Å; N164-H215 PolarHBondContact O-CD2 3.23Å; N164-F241 HydrophobicContact CB-CD1 3.78Å; N164-F241 HydrophobicContact CB-CE1 4.28Å; N164-F241 HydrophobicContact CB-CG 4.43Å; N164-F241 VanDerWaalsContact O-CE1 3.29Å; N164-F241 WeakPolarHBondContact O-CE1 3.41Å; N164-W242 PolarHBondContact ND2-N 2.78Å; N164-W242 PolarHBondContact ND2-O 2.79Å; N164-R245 PolarHBondContact ND2-NH1 2.99Å
165	T	88.2	Confident	73.4	Confident	35 Å²	35	43.2 Å²	43.2	22%	0.215	26%	0.26	C	S	.	.			trans	-93.7	-13.1	175.3	50.2	0	0	0	0	113	P163 F212	P163-T165 PolarHBondContact O-N 3.35Å; T165-F212 VanDerWaalsContact CB-O 3.31Å; T165-F212 WeakPolarHBondContact CB-O 3.24Å; T165-F212 PolarHBondContact O-N 3.26Å
166	V	90.8	Very high	74.5	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.2	-173.6	-171.5	0	0	0	0	110.5	N164 L209 L210 E211 W242	N164-V166 PolarHBondContact ND2-O 3Å; N164-V166 PolarHBondContact OD1-N 3.34Å; N164-V166 VanDerWaalsContact OD1-N 3.16Å; V166-L209 HydrophobicContact CG1-CB 4.22Å; V166-L209 HydrophobicContact CG1-CD2 4.46Å; V166-L210 CarbonylContact C-O 3.48Å; V166-L210 WeakPolarHBondContact CA-O 3.27Å; V166-E211 HydrophobicContact CG2-CB 4.15Å; V166-E211 HydrophobicContact CG2-CG 4.01Å; V166-W242 HydrophobicContact CB-CB 3.93Å; V166-W242 HydrophobicContact CB-CG 4.48Å; V166-W242 HydrophobicContact CG1-CB 3.76Å; V166-W242 HydrophobicContact CG1-CG 4.04Å; V166-W242 VanDerWaalsContact O-CB 3.31Å; V166-W242 WeakPolarHBondContact O-CB 3.41Å; V166-W242 PolarHBondContact O-N 2.84Å
167	L	92	Very high	75.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.1	169.8	-60.4	-178.4	0	0	0	110.3	V169 F188 L209 L210 F212 A218 A221 M222 V239 E240 F241	L167-V169 HydrophobicContact CB-CG2 4.37Å; L167-F188 HydrophobicContact CD1-CD1 4.39Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; L167-L209 WeakPolarHBondContact O-CA 3.37Å; L167-L210 PolarHBondContact N-O 2.68Å; L167-L210 PolarHBondContact O-N 3.37Å; L167-F212 HydrophobicContact CD1-CD2 4.18Å; L167-F212 HydrophobicContact CD1-CE2 3.76Å; L167-A218 HydrophobicContact CD1-CB 4.43Å; L167-A218 HydrophobicContact CD2-CB 4.01Å; L167-A218 HydrophobicContact CG-CB 4.07Å; L167-A221 HydrophobicContact CD1-CB 4.03Å; L167-M222 HydrophobicContact CD2-CB 4.15Å; L167-V239 HydrophobicContact CB-CG1 4.25Å; L167-V239 HydrophobicContact CD1-CG1 3.78Å; L167-V239 HydrophobicContact CD2-CG1 4.39Å; L167-V239 HydrophobicContact CG-CG1 4.37Å; L167-E240 CarbonylContact C-O 3.59Å; L167-E240 WeakPolarHBondContact CA-O 3.33Å; L167-F241 HydrophobicContact CD2-CD1 3.72Å; L167-F241 HydrophobicContact CD2-CE1 3.86Å; L167-F241 HydrophobicContact CD2-CG 4.37Å
168	H	92.8	Very high	77.2	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.088	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.5	166.6	168.6	-97.9	0	0	0	108.6	V170 R207 C208 L209 E240 W242	H168-V170 WeakPolarHBondContact CE1-CG2 3.39Å; H168-R207 PolarHBondContact CE1-NH1 2.95Å; H168-R207 PolarHBondContact NE2-NH1 3.34Å; H168-C208 WeakPolarHBondContact CA-O 3.43Å; H168-L209 HydrophobicContact CB-CD2 3.84Å; H168-E240 PolarHBondContact N-O 2.93Å; H168-E240 PolarHBondContact O-N 3.39Å; H168-W242 HydrophobicContact CB-CB 4.24Å; H168-W242 HydrophobicContact CB-CD2 4.37Å; H168-W242 HydrophobicContact CB-CE3 3.62Å; H168-W242 HydrophobicContact CB-CZ3 4.35Å; H168-W242 AromaticContact CD2-CE3 3.85Å; H168-W242 AromaticContact CD2-CZ3 3.67Å; H168-W242 AromaticContact CG-CE3 3.83Å
169	V	94.2	Very high	78.7	Confident	1 Å²	1	51 Å²	51	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.2	-177	-177.8	0	0	0	0	108.2	L167 I171 F188 R207 C208 L237 Q238 V239	L167-V169 HydrophobicContact CB-CG2 4.37Å; V169-I171 HydrophobicContact CG1-CG1 4.06Å; V169-F188 HydrophobicContact CG1-CZ 4.18Å; V169-F188 HydrophobicContact CG2-CE1 3.95Å; V169-F188 HydrophobicContact CG2-CE2 4.47Å; V169-F188 HydrophobicContact CG2-CZ 3.6Å; V169-R207 CarbonylContact O-C 3.56Å; V169-R207 WeakPolarHBondContact O-CA 3.44Å; V169-C208 HydrophobicContact CB-CB 4.17Å; V169-C208 PolarHBondContact N-O 2.65Å; V169-C208 PolarHBondContact O-N 3.36Å; V169-L237 HydrophobicContact CG1-CD2 3.76Å; V169-Q238 CarbonylContact C-O 3.22Å; V169-Q238 VanDerWaalsContact CA-O 3.3Å; V169-Q238 WeakPolarHBondContact CA-O 3.46Å; V169-V239 HydrophobicContact CG1-CG2 4.31Å; V169-V239 HydrophobicContact CG2-CG1 4.21Å; V169-V239 HydrophobicContact CG2-CG2 4.3Å
170	V	92.8	Very high	80.6	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.1	167.2	-171.9	0	0	0	0	107.9	H168 Q205 R207 Q238	H168-V170 WeakPolarHBondContact CE1-CG2 3.39Å; V170-Q205 HydrophobicContact CG1-CB 4.14Å; V170-Q205 HydrophobicContact CG1-CG 4.46Å; V170-R207 HydrophobicContact CG1-CG 4.44Å; V170-R207 HydrophobicContact CG2-CG 4.39Å; V170-Q238 HydrophobicContact CB-CB 4.26Å; V170-Q238 PolarHBondContact N-O 3.18Å; V170-Q238 PolarHBondContact O-N 3.5Å
171	I	92.1	Very high	82.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	102.9	-180	-46.9	175	0	0	0	107.6	V169 I174 I179 L184 Y206 I230 C235 S236 L237	V169-I171 HydrophobicContact CG1-CG1 4.06Å; I171-I174 HydrophobicContact CG2-CG2 4.22Å; I171-I179 HydrophobicContact CD1-CB 4.46Å; I171-I179 HydrophobicContact CD1-CG1 4.36Å; I171-I179 HydrophobicContact CD1-CG2 3.82Å; I171-L184 HydrophobicContact CD1-CD1 4.18Å; I171-L184 HydrophobicContact CD1-CD2 3.87Å; I171-Y206 PolarHBondContact N-O 3.43Å; I171-I230 HydrophobicContact CD1-CD1 4.11Å; I171-I230 HydrophobicContact CG2-CD1 4.12Å; I171-C235 HydrophobicContact CG2-CB 3.76Å; I171-S236 WeakPolarHBondContact CA-O 3.47Å; I171-L237 HydrophobicContact CG1-CD2 4.03Å
172	D	87.1	Confident	83.9	Confident	40 Å²	40	39.5 Å²	39.5	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	164.8	177.7	-83.8	-40.2	0	0	0	111.7	I174 Q205 C235 S236	D172-I174 PolarHBondContact O-N 3.21Å; D172-Q205 WeakPolarHBondContact OD1-CG 3.13Å; D172-Q205 PolarHBondContact OD1-NE2 2.98Å; D172-C235 CarbonylContact O-C 3.56Å; D172-C235 WeakPolarHBondContact O-CA 3.48Å; D172-S236 PolarHBondContact N-O 3.34Å; D172-S236 PolarHBondContact O-N 3.35Å
173	N	82.9	Confident	85.1	Confident	59 Å²	59	35.8 Å²	35.8	32%	0.316	20%	0.203	S	C	.	.			trans	54	51.3	176.6	-171.3	29.3	0	0	0	113.5	M175 G233 C234 C235	N173-M175 PolarHBondContact O-N 2.79Å; N173-M175 WeakPolarHBondContact OD1-CG 3.47Å; N173-G233 PolarHBondContact ND2-O 3.02Å; N173-C234 WeakPolarHBondContact O-CB 3.27Å; N173-C235 PolarHBondContact O-N 3.45Å
174	I	80.5	Confident	86.1	Confident	41 Å²	41	33.4 Å²	33.4	21%	0.21	19%	0.188	C	C	.	.			trans	-67.6	-17	-175.9	58.6	170.8	0	0	0	115.2	I171 D172 G176 Q177 Y206	I171-I174 HydrophobicContact CG2-CG2 4.22Å; D172-I174 PolarHBondContact O-N 3.21Å; I174-G176 PolarHBondContact O-N 2.9Å; I174-Q177 VanDerWaalsContact O-CB 3.31Å; I174-Q177 WeakPolarHBondContact O-CB 3.22Å; I174-Q177 WeakPolarHBondContact O-CG 3.35Å; I174-Q177 PolarHBondContact O-N 3.42Å; I174-Y206 HydrophobicContact CD1-CD2 3.82Å; I174-Y206 HydrophobicContact CD1-CE2 3.68Å; I174-Y206 HydrophobicContact CG2-CD2 3.87Å
175	M	74.9	Confident	86.7	Confident	48 Å²	48	35 Å²	35	24%	0.236	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	27.5	176.1	-60.4	-165	73.6	0	0	116.5	N173 Q177 C234 F484 I486	N173-M175 PolarHBondContact O-N 2.79Å; N173-M175 WeakPolarHBondContact OD1-CG 3.47Å; M175-Q177 VanDerWaalsContact C-N 3.32Å; M175-C234 HydrophobicContact CB-CB 4.18Å; M175-C234 HydrophobicContact CG-CB 3.74Å; M175-C234 HydrophobicContact SD-CB 3.55Å; M175-C234 VanDerWaalsContact SD-CB 3.55Å; M175-F484 HydrophobicContact CE-CD1 4.47Å; M175-I486 HydrophobicContact CE-CG2 3.96Å
176	G	75.9	Confident	86.6	Confident	73 Å²	73	35 Å²	35	75%	0.753	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	2.7	-177.2	0	0	0	0	0	115.2	I174	I174-G176 PolarHBondContact O-N 2.9Å
177	Q	77	Confident	86.6	Confident	89 Å²	89	36.6 Å²	36.6	42%	0.416	20%	0.198	S	C	.	.			trans	-68.3	147.1	169.9	-58.9	-61.6	-13.4	0	0	110.7	I174 M175 Y231	I174-Q177 VanDerWaalsContact O-CB 3.31Å; I174-Q177 WeakPolarHBondContact O-CB 3.22Å; I174-Q177 WeakPolarHBondContact O-CG 3.35Å; I174-Q177 PolarHBondContact O-N 3.42Å; M175-Q177 VanDerWaalsContact C-N 3.32Å; Q177-Y231 HydrophobicContact CB-CE2 4.14Å; Q177-Y231 HydrophobicContact CG-CD2 4.22Å; Q177-Y231 HydrophobicContact CG-CE2 4.12Å
178	Q	79.6	Confident	86.6	Confident	161 Å²	161	36.6 Å²	36.6	75%	0.752	20%	0.198	S	C	*	.			trans	-96.3	126.7	171.4	-63.2	-169.9	1.8	0	0	109.5	I183	Q178-I183 WeakPolarHBondContact O-CD1 3.49Å
179	I	84.4	Confident	86.6	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	21%	0.208	C	C	.	.			trans	-104	121.9	174.4	-53	-58.4	0	0	0	108.8	I171 L184 I199 Y206 I230 Y231 C235	I171-I179 HydrophobicContact CD1-CB 4.46Å; I171-I179 HydrophobicContact CD1-CG1 4.36Å; I171-I179 HydrophobicContact CD1-CG2 3.82Å; I179-L184 HydrophobicContact CG2-CD1 4.26Å; I179-L184 HydrophobicContact CG2-CD2 4.01Å; I179-L184 HydrophobicContact CG2-CG 3.93Å; I179-I199 HydrophobicContact CG2-CD1 4.32Å; I179-Y206 HydrophobicContact CB-CD1 4.3Å; I179-I230 HydrophobicContact CD1-CD1 3.98Å; I179-Y231 HydrophobicContact CD1-CE2 3.97Å; I179-C235 HydrophobicContact CD1-CB 4.4Å
180	N	86.9	Confident	86.3	Confident	54 Å²	54	43.3 Å²	43.3	29%	0.289	23%	0.225	S	C	.	.			trans	-112.4	168.3	174.5	65.5	7.7	0	0	0	110.8	V182 I183 I199 D255	N180-V182 PolarHBondContact O-N 3.09Å; N180-V182 WeakPolarHBondContact OD1-CB 3.18Å; N180-V182 PolarHBondContact OD1-N 3.36Å; N180-I183 PolarHBondContact O-N 3.42Å; N180-I183 WeakPolarHBondContact OD1-CB 3.36Å; N180-I183 WeakPolarHBondContact OD1-CD1 3.23Å; N180-I183 WeakPolarHBondContact OD1-CG1 3.47Å; N180-I183 PolarHBondContact OD1-N 3.44Å; N180-I199 WeakPolarHBondContact O-CD1 3.41Å; N180-D255 CarbonylContact C-O 3.51Å; N180-D255 WeakPolarHBondContact CA-O 3.38Å; N180-D255 WeakPolarHBondContact CB-O 3.46Å
181	H	89.4	Confident	86.2	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-29.7	179.8	71.5	77.8	0	0	0	112	L184 Y185 V197 I199 N254 D255 R258 Y260	H181-L184 PolarHBondContact O-N 3.18Å; H181-Y185 WeakPolarHBondContact O-CB 3.3Å; H181-Y185 PolarHBondContact O-N 2.87Å; H181-V197 HydrophobicContact CB-CB 4.29Å; H181-V197 HydrophobicContact CB-CG1 3.72Å; H181-I199 HydrophobicContact CB-CD1 4.42Å; H181-N254 PolarHBondContact CD2-O 3.49Å; H181-N254 VanDerWaalsContact CD2-O 3.28Å; H181-D255 PolarHBondContact CD2-O 2.65Å; H181-D255 PolarHBondContact N-O 3.31Å; H181-R258 VanDerWaalsContact CE1-CD 3.42Å; H181-R258 WeakPolarHBondContact CE1-CD 3.35Å; H181-Y260 AromaticContact ND1-CE1 4Å; H181-Y260 AromaticContact ND1-CZ 3.76Å; H181-Y260 PolarHBondContact ND1-OH 2.78Å; H181-Y260 PolarHBondContact O-OH 2.78Å
182	V	88.7	Confident	86.1	Confident	28 Å²	28	44.3 Å²	44.3	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-50.2	179.6	179.2	0	0	0	0	111.3	N180 L184 Y185 K186 L273	N180-V182 PolarHBondContact O-N 3.09Å; N180-V182 WeakPolarHBondContact OD1-CB 3.18Å; N180-V182 PolarHBondContact OD1-N 3.36Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 2.92Å; V182-Y185 WeakPolarHBondContact O-CB 3.21Å; V182-Y185 PolarHBondContact O-N 3.5Å; V182-Y185 VanDerWaalsContact O-N 3.13Å; V182-K186 WeakPolarHBondContact O-CG 3.26Å; V182-K186 PolarHBondContact O-N 2.73Å; V182-L273 HydrophobicContact CG1-CD1 4.41Å; V182-L273 HydrophobicContact CG1-CD2 3.26Å; V182-L273 HydrophobicContact CG1-CG 4.49Å
183	I	88.9	Confident	86.3	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.087	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-43.5	177.9	-72.1	157	0	0	0	111	Q178 N180 K186 I187 I230 Y231	Q178-I183 WeakPolarHBondContact O-CD1 3.49Å; N180-I183 PolarHBondContact O-N 3.42Å; N180-I183 WeakPolarHBondContact OD1-CB 3.36Å; N180-I183 WeakPolarHBondContact OD1-CD1 3.23Å; N180-I183 WeakPolarHBondContact OD1-CG1 3.47Å; N180-I183 PolarHBondContact OD1-N 3.44Å; I183-K186 WeakPolarHBondContact O-CB 3.47Å; I183-K186 PolarHBondContact O-N 2.95Å; I183-I187 HydrophobicContact CG2-CD1 4.35Å; I183-I187 PolarHBondContact O-N 3.44Å; I183-I230 HydrophobicContact CG2-CD1 4.45Å; I183-I230 HydrophobicContact CG2-CG2 3.75Å; I183-Y231 WeakPolarHBondContact CD1-OH 3.32Å
184	L	90.8	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-38.5	177.6	-61.3	-174.5	0	0	0	111.8	I171 I179 H181 V182 K186 I187 F188 I199 C208 I230	I171-L184 HydrophobicContact CD1-CD1 4.18Å; I171-L184 HydrophobicContact CD1-CD2 3.87Å; I179-L184 HydrophobicContact CG2-CD1 4.26Å; I179-L184 HydrophobicContact CG2-CD2 4.01Å; I179-L184 HydrophobicContact CG2-CG 3.93Å; H181-L184 PolarHBondContact O-N 3.18Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 2.92Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3.35Å; L184-I187 PolarHBondContact O-N 3.28Å; L184-F188 HydrophobicContact CD2-CE2 4.42Å; L184-F188 WeakPolarHBondContact O-CD2 3.38Å; L184-F188 PolarHBondContact O-N 3.41Å; L184-I199 HydrophobicContact CD1-CD1 3.61Å; L184-I199 HydrophobicContact CD1-CG1 3.74Å; L184-I199 HydrophobicContact CG-CD1 4.26Å; L184-C208 HydrophobicContact CD1-CB 3.59Å; L184-C208 WeakPolarHBondContact CD1-SG 3.38Å; L184-I230 HydrophobicContact CD2-CD1 3.78Å
185	Y	91.1	Very high	87.3	Confident	42 Å²	42	41.7 Å²	41.7	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-47.3	171.9	-168.7	-91.2	0	0	0	111.3	H181 V182 I187 F188 H189 I194 Y260 L265 L270 L273	H181-Y185 WeakPolarHBondContact O-CB 3.3Å; H181-Y185 PolarHBondContact O-N 2.87Å; V182-Y185 WeakPolarHBondContact O-CB 3.21Å; V182-Y185 PolarHBondContact O-N 3.5Å; V182-Y185 VanDerWaalsContact O-N 3.13Å; Y185-I187 PolarHBondContact O-N 3.37Å; Y185-F188 PolarHBondContact O-N 2.94Å; Y185-H189 HydrophobicContact CD1-CB 4.16Å; Y185-H189 HydrophobicContact CE1-CB 3.87Å; Y185-H189 HydrophobicContact CE2-CB 4.36Å; Y185-H189 VanDerWaalsContact O-CB 3.3Å; Y185-H189 WeakPolarHBondContact O-CB 3.47Å; Y185-H189 PolarHBondContact O-N 3.49Å; Y185-H189 PolarHBondContact O-ND1 3.09Å; Y185-I194 HydrophobicContact CD2-CB 4.15Å; Y185-I194 HydrophobicContact CD2-CD1 3.59Å; Y185-I194 HydrophobicContact CD2-CG1 4.39Å; Y185-I194 HydrophobicContact CE2-CB 4.05Å; Y185-I194 HydrophobicContact CE2-CD1 4.05Å; Y185-I194 HydrophobicContact CE2-CG1 4.45Å; Y185-I194 HydrophobicContact CG-CD1 4.18Å; Y185-Y260 AromaticContact CD2-CD2 3.91Å; Y185-Y260 HydrophobicContact CD2-CD2 3.91Å; Y185-Y260 HydrophobicContact CD2-CE1 4.24Å; Y185-Y260 AromaticContact CD2-CE2 3.44Å; Y185-Y260 HydrophobicContact CD2-CE2 3.44Å; Y185-Y260 VanDerWaalsContact CD2-CE2 3.44Å; Y185-Y260 HydrophobicContact CD2-CG 4.46Å; Y185-Y260 AromaticContact CD2-CZ 3.61Å; Y185-Y260 HydrophobicContact CE2-CD2 4.04Å; Y185-Y260 HydrophobicContact CE2-CE2 4.05Å; Y185-Y260 HydrophobicContact CE2-CG 4.3Å; Y185-Y260 HydrophobicContact CG-CE2 4.38Å; Y185-L265 HydrophobicContact CD1-CD1 3.85Å; Y185-L265 HydrophobicContact CD1-CD2 3.63Å; Y185-L265 HydrophobicContact CD1-CG 4.43Å; Y185-L265 HydrophobicContact CD2-CD1 3.84Å; Y185-L265 HydrophobicContact CE1-CD1 3.65Å; Y185-L265 HydrophobicContact CE1-CD2 3.8Å; Y185-L265 HydrophobicContact CE1-CG 4.33Å; Y185-L265 HydrophobicContact CE2-CD1 3.63Å; Y185-L265 HydrophobicContact CG-CD1 3.94Å; Y185-L265 HydrophobicContact CG-CD2 4.25Å; Y185-L270 HydrophobicContact CE1-CD1 4.24Å; Y185-L273 HydrophobicContact CD1-CD1 4.22Å
186	K	86.9	Confident	88.1	Confident	36 Å²	36	41.7 Å²	41.7	16%	0.157	22%	0.215	C	C	.	.	H	α-helix	trans	-50.4	-36.8	177.2	-57.7	-163.8	-178.7	-166.4	0	113.9	V182 I183 L184 H189 L273 L276	V182-K186 WeakPolarHBondContact O-CG 3.26Å; V182-K186 PolarHBondContact O-N 2.73Å; I183-K186 WeakPolarHBondContact O-CB 3.47Å; I183-K186 PolarHBondContact O-N 2.95Å; L184-K186 VanDerWaalsContact C-N 3.34Å; L184-K186 PolarHBondContact O-N 3.35Å; K186-H189 VanDerWaalsContact C-ND1 3.35Å; K186-H189 WeakPolarHBondContact CA-ND1 3.33Å; K186-H189 PolarHBondContact O-CE1 3.14Å; K186-H189 PolarHBondContact O-ND1 2.93Å; K186-L273 HydrophobicContact CD-CB 3.78Å; K186-L273 HydrophobicContact CD-CD2 4.42Å; K186-L273 HydrophobicContact CD-CG 4.41Å; K186-L273 WeakPolarHBondContact CD-O 3.36Å; K186-L273 VanDerWaalsContact CE-CA 3.42Å; K186-L273 VanDerWaalsContact CE-CB 3.48Å; K186-L273 VanDerWaalsContact CE-CD2 3.47Å; K186-L273 WeakPolarHBondContact CE-O 3.39Å; K186-L273 HydrophobicContact CG-CB 3.8Å; K186-L273 HydrophobicContact CG-CD1 3.77Å; K186-L273 HydrophobicContact CG-CD2 4.25Å; K186-L273 HydrophobicContact CG-CG 4.08Å; K186-L273 VanDerWaalsContact NZ-CA 3.31Å; K186-L273 PolarHBondContact NZ-O 3.42Å; K186-L276 HydrophobicContact CD-CD1 3.52Å; K186-L276 HydrophobicContact CD-CG 4.47Å
187	I	90.1	Very high	88.9	Confident	34 Å²	34	38.2 Å²	38.2	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-87.9	-49.4	-172.6	-64.8	170.3	0	0	0	110	I183 L184 Y185 F191 L225 I230	I183-I187 HydrophobicContact CG2-CD1 4.35Å; I183-I187 PolarHBondContact O-N 3.44Å; L184-I187 PolarHBondContact O-N 3.28Å; Y185-I187 PolarHBondContact O-N 3.37Å; I187-F191 WeakPolarHBondContact O-CE2 3.25Å; I187-L225 HydrophobicContact CG2-CD1 3.83Å; I187-L225 HydrophobicContact CG2-CD2 3.69Å; I187-L225 HydrophobicContact CG2-CG 4.43Å; I187-I230 HydrophobicContact CD1-CB 3.99Å; I187-I230 HydrophobicContact CD1-CD1 4.33Å; I187-I230 HydrophobicContact CD1-CG1 3.71Å; I187-I230 HydrophobicContact CD1-CG2 3.75Å
188	F	92.6	Very high	89.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-82	-27.1	-170.7	-75.8	-101.5	0	0	0	113.4	L167 V169 L184 Y185 R190 F191 I194 L210 F212 A221 L225 L237 V239	L167-F188 HydrophobicContact CD1-CD1 4.39Å; L167-F188 HydrophobicContact CD1-CE1 4.1Å; V169-F188 HydrophobicContact CG1-CZ 4.18Å; V169-F188 HydrophobicContact CG2-CE1 3.95Å; V169-F188 HydrophobicContact CG2-CE2 4.47Å; V169-F188 HydrophobicContact CG2-CZ 3.6Å; L184-F188 HydrophobicContact CD2-CE2 4.42Å; L184-F188 WeakPolarHBondContact O-CD2 3.38Å; L184-F188 PolarHBondContact O-N 3.41Å; Y185-F188 PolarHBondContact O-N 2.94Å; F188-R190 PolarHBondContact O-N 3.42Å; F188-R190 VanDerWaalsContact O-N 3.08Å; F188-F191 PolarHBondContact O-N 3.42Å; F188-F191 VanDerWaalsContact O-N 3.14Å; F188-I194 HydrophobicContact CB-CD1 3.69Å; F188-I194 HydrophobicContact CB-CG1 4.42Å; F188-L210 HydrophobicContact CB-CD1 3.6Å; F188-L210 HydrophobicContact CB-CD2 4.38Å; F188-L210 HydrophobicContact CD1-CD1 3.87Å; F188-L210 HydrophobicContact CD1-CD2 4.23Å; F188-L210 HydrophobicContact CD2-CD1 3.95Å; F188-L210 HydrophobicContact CG-CD1 3.54Å; F188-F212 HydrophobicContact CB-CZ 3.97Å; F188-F212 HydrophobicContact CD1-CE2 4.06Å; F188-F212 HydrophobicContact CD1-CZ 4.09Å; F188-F212 WeakPolarHBondContact O-CE1 3.21Å; F188-F212 WeakPolarHBondContact O-CZ 3.3Å; F188-A221 HydrophobicContact CD1-CB 4.22Å; F188-L225 HydrophobicContact CD1-CD1 3.52Å; F188-L225 HydrophobicContact CD2-CD1 3.94Å; F188-L225 HydrophobicContact CE1-CD1 3.42Å; F188-L225 VanDerWaalsContact CE1-CD1 3.42Å; F188-L225 HydrophobicContact CE2-CD1 3.84Å; F188-L225 HydrophobicContact CG-CD1 3.79Å; F188-L225 HydrophobicContact CZ-CD1 3.58Å; F188-L237 HydrophobicContact CE2-CD1 4.29Å; F188-L237 HydrophobicContact CZ-CD1 4.41Å; F188-V239 HydrophobicContact CE1-CG1 4.39Å; F188-V239 HydrophobicContact CZ-CG2 4.2Å
189	H	91	Very high	90.2	Very high	61 Å²	61	28.4 Å²	28.4	28%	0.282	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-64.1	-19.4	-178.2	80.9	-77.8	0	0	0	113.1	Y185 K186 F191 G192 I194	Y185-H189 HydrophobicContact CD1-CB 4.16Å; Y185-H189 HydrophobicContact CE1-CB 3.87Å; Y185-H189 HydrophobicContact CE2-CB 4.36Å; Y185-H189 VanDerWaalsContact O-CB 3.3Å; Y185-H189 WeakPolarHBondContact O-CB 3.47Å; Y185-H189 PolarHBondContact O-N 3.49Å; Y185-H189 PolarHBondContact O-ND1 3.09Å; K186-H189 VanDerWaalsContact C-ND1 3.35Å; K186-H189 WeakPolarHBondContact CA-ND1 3.33Å; K186-H189 PolarHBondContact O-CE1 3.14Å; K186-H189 PolarHBondContact O-ND1 2.93Å; H189-F191 PolarHBondContact O-N 2.87Å; H189-G192 CarbonylContact C-O 3.6Å; H189-G192 WeakPolarHBondContact CA-O 3.3Å; H189-G192 PolarHBondContact O-N 3.17Å; H189-I194 HydrophobicContact CB-CD1 4.04Å
190	R	89.1	Confident	90.4	Very high	100 Å²	100	31 Å²	31	38%	0.377	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-65.8	-15	177.6	-62.1	-176.7	63.5	171.2	-3.4	113.5	F188	F188-R190 PolarHBondContact O-N 3.42Å; F188-R190 VanDerWaalsContact O-N 3.08Å
191	F	91	Very high	90.4	Very high	29 Å²	29	32.5 Å²	32.5	13%	0.127	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-110.9	-9.9	-178.2	-52.5	-75.5	0	0	0	113.2	H108 I187 F188 H189 V220 A221 L224 L225	H108-F191 PolarHBondContact NE2-O 3.39Å; I187-F191 WeakPolarHBondContact O-CE2 3.25Å; F188-F191 PolarHBondContact O-N 3.42Å; F188-F191 VanDerWaalsContact O-N 3.14Å; H189-F191 PolarHBondContact O-N 2.87Å; F191-V220 HydrophobicContact CB-CG1 4.34Å; F191-V220 HydrophobicContact CD1-CG1 3.86Å; F191-V220 HydrophobicContact CG-CG1 4.49Å; F191-A221 HydrophobicContact CB-CB 3.89Å; F191-A221 HydrophobicContact CD2-CB 4.07Å; F191-A221 HydrophobicContact CG-CB 4.07Å; F191-L224 HydrophobicContact CD1-CD1 3.97Å; F191-L224 HydrophobicContact CE1-CB 3.98Å; F191-L224 HydrophobicContact CE1-CD1 3.57Å; F191-L224 HydrophobicContact CE1-CG 4.42Å; F191-L224 HydrophobicContact CZ-CB 4.29Å; F191-L225 HydrophobicContact CD2-CD1 4.02Å; F191-L225 HydrophobicContact CD2-CG 4.43Å; F191-L225 HydrophobicContact CE2-CD1 3.63Å; F191-L225 HydrophobicContact CE2-CD2 3.81Å; F191-L225 HydrophobicContact CE2-CG 3.71Å; F191-L225 HydrophobicContact CZ-CD2 4.04Å; F191-L225 HydrophobicContact CZ-CG 4.12Å
192	G	89.8	Confident	90.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	170.8	174.3	-174.4	0	0	0	0	0	114.7	H189	H189-G192 CarbonylContact C-O 3.6Å; H189-G192 WeakPolarHBondContact CA-O 3.3Å; H189-G192 PolarHBondContact O-N 3.17Å
193	T	91.9	Very high	89.8	Confident	60 Å²	60	44.3 Å²	44.3	37%	0.368	21%	0.205	S	C	.	.			trans	-80.5	120.6	173.6	-61.5	0	0	0	0	109	Y112 F212 Q213 Q217	Y112-T193 PolarHBondContact OH-N 2.75Å; Y112-T193 PolarHBondContact OH-OG1 2.75Å; T193-F212 CarbonylContact O-C 3.5Å; T193-F212 WeakPolarHBondContact O-CA 3.25Å; T193-Q213 HydrophobicContact CG2-CB 4.35Å; T193-Q213 PolarHBondContact O-N 3.37Å; T193-Q217 PolarHBondContact O-OE1 3.49Å
194	I	92.4	Very high	89.2	Confident	4 Å²	4	50 Å²	50	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.5	176.3	-55.4	167.9	0	0	0	108.3	Y185 F188 H189 V197 L210 F212 Y260	Y185-I194 HydrophobicContact CD2-CB 4.15Å; Y185-I194 HydrophobicContact CD2-CD1 3.59Å; Y185-I194 HydrophobicContact CD2-CG1 4.39Å; Y185-I194 HydrophobicContact CE2-CB 4.05Å; Y185-I194 HydrophobicContact CE2-CD1 4.05Å; Y185-I194 HydrophobicContact CE2-CG1 4.45Å; Y185-I194 HydrophobicContact CG-CD1 4.18Å; F188-I194 HydrophobicContact CB-CD1 3.69Å; F188-I194 HydrophobicContact CB-CG1 4.42Å; H189-I194 HydrophobicContact CB-CD1 4.04Å; I194-V197 HydrophobicContact CG2-CG2 3.83Å; I194-L210 HydrophobicContact CD1-CD1 4.19Å; I194-L210 HydrophobicContact CG1-CD2 4.23Å; I194-L210 HydrophobicContact CG2-CD1 4.4Å; I194-L210 HydrophobicContact CG2-CD2 4.07Å; I194-L210 HydrophobicContact CG2-CG 3.93Å; I194-F212 HydrophobicContact CG1-CD1 4.3Å; I194-F212 HydrophobicContact CG1-CE1 3.94Å; I194-F212 HydrophobicContact CG1-CZ 4.43Å; I194-Y260 HydrophobicContact CB-CD2 4.41Å; I194-Y260 HydrophobicContact CG2-CD2 4Å; I194-Y260 HydrophobicContact CG2-CE2 4.13Å
195	L	91.8	Very high	88.8	Confident	22 Å²	22	52.4 Å²	52.4	12%	0.115	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-48.9	174.5	-57.1	-175.2	0	0	0	110.9	E211 Q213 Y260 T261	L195-E211 HydrophobicContact CB-CB 4.47Å; L195-E211 HydrophobicContact CB-CG 4.33Å; L195-E211 HydrophobicContact CD1-CG 4.28Å; L195-E211 PolarHBondContact N-O 3.25Å; L195-Q213 HydrophobicContact CD2-CB 4.1Å; L195-Q213 HydrophobicContact CG-CB 4.36Å; L195-Y260 WeakPolarHBondContact O-CA 3.4Å; L195-Y260 WeakPolarHBondContact O-CB 3.22Å; L195-Y260 PolarHBondContact O-N 3.15Å; L195-T261 HydrophobicContact CB-CG2 3.9Å; L195-T261 HydrophobicContact CD2-CG2 3.77Å; L195-T261 HydrophobicContact CG-CG2 4.34Å
196	R	92	Very high	88.7	Confident	48 Å²	48	51.8 Å²	51.8	18%	0.181	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.7	-170	-59.7	-177.5	-175.9	102.6	5.1	111.8	L210 E211 L248 V250 D259	R196-L210 WeakPolarHBondContact O-CA 3.37Å; R196-E211 HydrophobicContact CB-CB 4.19Å; R196-E211 WeakPolarHBondContact CD-OE2 3.32Å; R196-E211 IonicContact CZ-OE2 3.16Å; R196-E211 PolarHBondContact N-O 3.42Å; R196-E211 IonicContact NH1-OE1 2.76Å; R196-E211 PolarHBondContact NH1-OE1 3.32Å; R196-E211 IonicContact NH1-OE2 2.77Å; R196-E211 PolarHBondContact NH1-OE2 3.45Å; R196-E211 PolarHBondContact O-N 2.77Å; R196-L248 HydrophobicContact CB-CB 4.42Å; R196-L248 HydrophobicContact CB-CD2 3.92Å; R196-L248 HydrophobicContact CB-CG 4.4Å; R196-L248 WeakPolarHBondContact CD-O 3.36Å; R196-L248 PolarHBondContact NE-O 3.41Å; R196-V250 HydrophobicContact CB-CG2 4.03Å; R196-V250 HydrophobicContact CG-CG2 4.3Å; R196-D259 WeakPolarHBondContact CD-OD2 3.4Å; R196-D259 HydrophobicContact CG-CB 4.32Å; R196-D259 IonicContact CZ-OD2 2.75Å; R196-D259 IonicContact NE-OD1 3.67Å; R196-D259 IonicContact NE-OD2 3.58Å; R196-D259 PolarHBondContact NE-OD2 3.05Å; R196-D259 IonicContact NH2-OD2 2.7Å
197	V	92.3	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.8	173.2	168.5	0	0	0	0	108.9	H181 I194 I199 L210 C257 R258 Y260	H181-V197 HydrophobicContact CB-CB 4.29Å; H181-V197 HydrophobicContact CB-CG1 3.72Å; I194-V197 HydrophobicContact CG2-CG2 3.83Å; V197-I199 HydrophobicContact CG1-CD1 4.27Å; V197-I199 HydrophobicContact CG1-CG1 3.99Å; V197-L210 HydrophobicContact CG2-CB 4.48Å; V197-L210 HydrophobicContact CG2-CD1 3.88Å; V197-L210 HydrophobicContact CG2-CG 3.93Å; V197-C257 CarbonylContact O-C 3.53Å; V197-C257 VanDerWaalsContact O-CA 3.25Å; V197-C257 WeakPolarHBondContact O-CA 3.48Å; V197-R258 PolarHBondContact N-O 3.22Å; V197-R258 PolarHBondContact O-N 2.89Å; V197-Y260 HydrophobicContact CB-CE2 4.13Å; V197-Y260 HydrophobicContact CG2-CE2 3.76Å
198	L	91.8	Very high	89	Confident	39 Å²	39	51.1 Å²	51.1	20%	0.204	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	105.1	177.1	179.2	126.4	0	0	0	110	F200 C208 L209 L248	L198-F200 HydrophobicContact CD2-CD1 3.8Å; L198-F200 HydrophobicContact CD2-CE1 4.18Å; L198-C208 CarbonylContact O-C 3.5Å; L198-C208 VanDerWaalsContact O-CA 3.29Å; L198-C208 WeakPolarHBondContact O-CA 3.48Å; L198-L209 HydrophobicContact CB-CB 4.5Å; L198-L209 HydrophobicContact CD2-CD1 4.28Å; L198-L209 HydrophobicContact CD2-CG 4.5Å; L198-L209 PolarHBondContact N-O 3.29Å; L198-L209 PolarHBondContact O-N 3.4Å; L198-L248 HydrophobicContact CB-CD1 4.31Å; L198-L248 HydrophobicContact CB-CD2 4.02Å; L198-L248 HydrophobicContact CB-CG 4.47Å
199	I	91.4	Very high	89.1	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.2	178.7	-55.7	167.4	0	0	0	110.2	I179 N180 H181 L184 V197 Y206 R207 C208 K256	I179-I199 HydrophobicContact CG2-CD1 4.32Å; N180-I199 WeakPolarHBondContact O-CD1 3.41Å; H181-I199 HydrophobicContact CB-CD1 4.42Å; L184-I199 HydrophobicContact CD1-CD1 3.61Å; L184-I199 HydrophobicContact CD1-CG1 3.74Å; L184-I199 HydrophobicContact CG-CD1 4.26Å; V197-I199 HydrophobicContact CG1-CD1 4.27Å; V197-I199 HydrophobicContact CG1-CG1 3.99Å; I199-Y206 HydrophobicContact CG2-CD1 3.61Å; I199-Y206 HydrophobicContact CG2-CE1 4.3Å; I199-R207 CarbonylContact C-O 3.6Å; I199-R207 WeakPolarHBondContact CA-O 3.43Å; I199-C208 HydrophobicContact CG1-CB 4.04Å; I199-K256 HydrophobicContact CB-CB 3.97Å; I199-K256 WeakPolarHBondContact CB-O 3.38Å; I199-K256 VanDerWaalsContact CG1-O 3.29Å; I199-K256 WeakPolarHBondContact CG1-O 3.48Å; I199-K256 PolarHBondContact N-O 2.86Å; I199-K256 WeakPolarHBondContact O-CB 3.42Å
200	F	89.1	Confident	89.2	Confident	60 Å²	60	48.8 Å²	48.8	26%	0.263	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145	175.7	58.2	-76.1	0	0	0	110.6	L198 R202 R207 L209	L198-F200 HydrophobicContact CD2-CD1 3.8Å; L198-F200 HydrophobicContact CD2-CE1 4.18Å; F200-R202 HydrophobicContact CD2-CB 4.28Å; F200-R202 HydrophobicContact CE2-CB 4.43Å; F200-R207 HydrophobicContact CD1-CB 4.2Å; F200-R207 WeakPolarHBondContact CD1-O 3.39Å; F200-R207 HydrophobicContact CD2-CB 4.01Å; F200-R207 HydrophobicContact CE1-CB 3.74Å; F200-R207 HydrophobicContact CE2-CB 3.56Å; F200-R207 HydrophobicContact CE2-CG 4.23Å; F200-R207 HydrophobicContact CG-CB 4.32Å; F200-R207 HydrophobicContact CZ-CB 3.41Å; F200-R207 VanDerWaalsContact CZ-CB 3.41Å; F200-R207 HydrophobicContact CZ-CG 4.38Å; F200-R207 PolarHBondContact N-O 3.14Å; F200-R207 PolarHBondContact O-N 3.49Å; F200-R207 VanDerWaalsContact O-O 3.11Å; F200-L209 HydrophobicContact CE1-CG 4.18Å
201	L	86.4	Confident	89.4	Confident	86 Å²	86	44.8 Å²	44.8	45%	0.45	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.7	174.9	-170.9	73.8	0	0	0	108.6	Y206	L201-Y206 HydrophobicContact CD1-CD2 3.54Å; L201-Y206 HydrophobicContact CD1-CE2 3.66Å; L201-Y206 HydrophobicContact CD1-CG 4.04Å
202	R	83.7	Confident	89.4	Confident	154 Å²	154	43.4 Å²	43.4	58%	0.581	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	125.9	174.8	-172.4	174.4	-178.1	172.3	0.9	109.3	F200 N204 Q205	F200-R202 HydrophobicContact CD2-CB 4.28Å; F200-R202 HydrophobicContact CE2-CB 4.43Å; R202-N204 VanDerWaalsContact C-N 3.32Å; R202-N204 PolarHBondContact O-N 3.3Å; R202-Q205 PolarHBondContact N-O 3.13Å; R202-Q205 PolarHBondContact O-N 3.24Å; R202-Q205 VanDerWaalsContact O-O 3.13Å
203	N	82	Confident	89.4	Confident	134 Å²	134	48.8 Å²	48.8	72%	0.717	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	42.9	-179.2	-53	-0.1	0	0	0	113	Q205	N203-Q205 PolarHBondContact O-N 3.35Å
204	N	75.8	Confident	89.2	Confident	137 Å²	137	49.4 Å²	49.4	73%	0.733	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	5.8	-172.3	-74.1	4.8	0	0	0	116.6	R202	R202-N204 VanDerWaalsContact C-N 3.32Å; R202-N204 PolarHBondContact O-N 3.3Å
205	Q	82.8	Confident	88.9	Confident	49 Å²	49	50.1 Å²	50.1	23%	0.229	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.6	168.6	-62	175.8	-44.8	0	0	109.4	V170 D172 R202 N203	V170-Q205 HydrophobicContact CG1-CB 4.14Å; V170-Q205 HydrophobicContact CG1-CG 4.46Å; D172-Q205 WeakPolarHBondContact OD1-CG 3.13Å; D172-Q205 PolarHBondContact OD1-NE2 2.98Å; R202-Q205 PolarHBondContact N-O 3.13Å; R202-Q205 PolarHBondContact O-N 3.24Å; R202-Q205 VanDerWaalsContact O-O 3.13Å; N203-Q205 PolarHBondContact O-N 3.35Å
206	Y	88.7	Confident	88.7	Confident	30 Å²	30	50.2 Å²	50.2	12%	0.118	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.9	164.8	-82.4	-101.9	0	0	0	108	I171 I174 I179 I199 L201	I171-Y206 PolarHBondContact N-O 3.43Å; I174-Y206 HydrophobicContact CD1-CD2 3.82Å; I174-Y206 HydrophobicContact CD1-CE2 3.68Å; I174-Y206 HydrophobicContact CG2-CD2 3.87Å; I179-Y206 HydrophobicContact CB-CD1 4.3Å; I199-Y206 HydrophobicContact CG2-CD1 3.61Å; I199-Y206 HydrophobicContact CG2-CE1 4.3Å; L201-Y206 HydrophobicContact CD1-CD2 3.54Å; L201-Y206 HydrophobicContact CD1-CE2 3.66Å; L201-Y206 HydrophobicContact CD1-CG 4.04Å
207	R	91.8	Very high	88.7	Confident	56 Å²	56	48.7 Å²	48.7	21%	0.211	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.3	175.6	-64.6	-177.3	176.9	-112.5	-8.6	108	H168 V169 V170 I199 F200	H168-R207 PolarHBondContact CE1-NH1 2.95Å; H168-R207 PolarHBondContact NE2-NH1 3.34Å; V169-R207 CarbonylContact O-C 3.56Å; V169-R207 WeakPolarHBondContact O-CA 3.44Å; V170-R207 HydrophobicContact CG1-CG 4.44Å; V170-R207 HydrophobicContact CG2-CG 4.39Å; I199-R207 CarbonylContact C-O 3.6Å; I199-R207 WeakPolarHBondContact CA-O 3.43Å; F200-R207 HydrophobicContact CD1-CB 4.2Å; F200-R207 WeakPolarHBondContact CD1-O 3.39Å; F200-R207 HydrophobicContact CD2-CB 4.01Å; F200-R207 HydrophobicContact CE1-CB 3.74Å; F200-R207 HydrophobicContact CE2-CB 3.56Å; F200-R207 HydrophobicContact CE2-CG 4.23Å; F200-R207 HydrophobicContact CG-CB 4.32Å; F200-R207 HydrophobicContact CZ-CB 3.41Å; F200-R207 VanDerWaalsContact CZ-CB 3.41Å; F200-R207 HydrophobicContact CZ-CG 4.38Å; F200-R207 PolarHBondContact N-O 3.14Å; F200-R207 PolarHBondContact O-N 3.49Å; F200-R207 VanDerWaalsContact O-O 3.11Å
208	C	92.5	Very high	88.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.2	179.1	177.1	0	0	0	0	109.5	H168 V169 L184 L198 I199	H168-C208 WeakPolarHBondContact CA-O 3.43Å; V169-C208 HydrophobicContact CB-CB 4.17Å; V169-C208 PolarHBondContact N-O 2.65Å; V169-C208 PolarHBondContact O-N 3.36Å; L184-C208 HydrophobicContact CD1-CB 3.59Å; L184-C208 WeakPolarHBondContact CD1-SG 3.38Å; L198-C208 CarbonylContact O-C 3.5Å; L198-C208 VanDerWaalsContact O-CA 3.29Å; L198-C208 WeakPolarHBondContact O-CA 3.48Å; I199-C208 HydrophobicContact CG1-CB 4.04Å
209	L	93.4	Very high	88.5	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.3	159.1	-61.1	179.3	0	0	0	107.7	V166 L167 H168 L198 F200 W242 L248	V166-L209 HydrophobicContact CG1-CB 4.22Å; V166-L209 HydrophobicContact CG1-CD2 4.46Å; L167-L209 WeakPolarHBondContact O-CA 3.37Å; H168-L209 HydrophobicContact CB-CD2 3.84Å; L198-L209 HydrophobicContact CB-CB 4.5Å; L198-L209 HydrophobicContact CD2-CD1 4.28Å; L198-L209 HydrophobicContact CD2-CG 4.5Å; L198-L209 PolarHBondContact N-O 3.29Å; L198-L209 PolarHBondContact O-N 3.4Å; F200-L209 HydrophobicContact CE1-CG 4.18Å; L209-W242 HydrophobicContact CD1-CD2 4.37Å; L209-W242 HydrophobicContact CD1-CH2 4.43Å; L209-W242 HydrophobicContact CD1-CZ2 3.86Å; L209-W242 HydrophobicContact CD2-CB 4.39Å; L209-W242 HydrophobicContact CD2-CD2 3.46Å; L209-W242 VanDerWaalsContact CD2-CD2 3.46Å; L209-W242 HydrophobicContact CD2-CE3 3.59Å; L209-W242 HydrophobicContact CD2-CG 3.87Å; L209-W242 HydrophobicContact CD2-CH2 4.26Å; L209-W242 HydrophobicContact CD2-CZ2 4.19Å; L209-W242 HydrophobicContact CD2-CZ3 3.98Å; L209-L248 HydrophobicContact CB-CD1 3.78Å; L209-L248 HydrophobicContact CB-CD2 3.8Å; L209-L248 HydrophobicContact CB-CG 4.47Å; L209-L248 HydrophobicContact CD1-CD1 3.71Å; L209-L248 HydrophobicContact CG-CD1 4.4Å; L209-L248 WeakPolarHBondContact O-CD2 3.14Å
210	L	93.7	Very high	88.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.4	-178.2	-175.6	154.2	0	0	0	108.9	V166 L167 F188 I194 R196 V197 F212	V166-L210 CarbonylContact C-O 3.48Å; V166-L210 WeakPolarHBondContact CA-O 3.27Å; L167-L210 PolarHBondContact N-O 2.68Å; L167-L210 PolarHBondContact O-N 3.37Å; F188-L210 HydrophobicContact CB-CD1 3.6Å; F188-L210 HydrophobicContact CB-CD2 4.38Å; F188-L210 HydrophobicContact CD1-CD1 3.87Å; F188-L210 HydrophobicContact CD1-CD2 4.23Å; F188-L210 HydrophobicContact CD2-CD1 3.95Å; F188-L210 HydrophobicContact CG-CD1 3.54Å; I194-L210 HydrophobicContact CD1-CD1 4.19Å; I194-L210 HydrophobicContact CG1-CD2 4.23Å; I194-L210 HydrophobicContact CG2-CD1 4.4Å; I194-L210 HydrophobicContact CG2-CD2 4.07Å; I194-L210 HydrophobicContact CG2-CG 3.93Å; R196-L210 WeakPolarHBondContact O-CA 3.37Å; V197-L210 HydrophobicContact CG2-CB 4.48Å; V197-L210 HydrophobicContact CG2-CD1 3.88Å; V197-L210 HydrophobicContact CG2-CG 3.93Å; L210-F212 HydrophobicContact CD2-CD2 3.5Å; L210-F212 HydrophobicContact CD2-CE1 4.5Å; L210-F212 HydrophobicContact CD2-CE2 3.33Å; L210-F212 HydrophobicContact CD2-CG 4.21Å; L210-F212 HydrophobicContact CD2-CZ 3.88Å
211	E	92.6	Very high	88.6	Confident	15 Å²	15	43.9 Å²	43.9	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.5	-178.8	-174	174.4	-172.7	0	0	110.3	V166 L195 R196 L248	V166-E211 HydrophobicContact CG2-CB 4.15Å; V166-E211 HydrophobicContact CG2-CG 4.01Å; L195-E211 HydrophobicContact CB-CB 4.47Å; L195-E211 HydrophobicContact CB-CG 4.33Å; L195-E211 HydrophobicContact CD1-CG 4.28Å; L195-E211 PolarHBondContact N-O 3.25Å; R196-E211 HydrophobicContact CB-CB 4.19Å; R196-E211 WeakPolarHBondContact CD-OE2 3.32Å; R196-E211 IonicContact CZ-OE2 3.16Å; R196-E211 PolarHBondContact N-O 3.42Å; R196-E211 IonicContact NH1-OE1 2.76Å; R196-E211 PolarHBondContact NH1-OE1 3.32Å; R196-E211 IonicContact NH1-OE2 2.77Å; R196-E211 PolarHBondContact NH1-OE2 3.45Å; R196-E211 PolarHBondContact O-N 2.77Å; E211-L248 HydrophobicContact CB-CB 4.32Å; E211-L248 WeakPolarHBondContact OE2-CB 3.43Å; E211-L248 PolarHBondContact OE2-N 2.92Å
212	F	92.2	Very high	88.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	158.5	171	-82	-80.8	0	0	0	112.1	T165 L167 F188 T193 I194 L210 N214 Q217 A218 A221	T165-F212 VanDerWaalsContact CB-O 3.31Å; T165-F212 WeakPolarHBondContact CB-O 3.24Å; T165-F212 PolarHBondContact O-N 3.26Å; L167-F212 HydrophobicContact CD1-CD2 4.18Å; L167-F212 HydrophobicContact CD1-CE2 3.76Å; F188-F212 HydrophobicContact CB-CZ 3.97Å; F188-F212 HydrophobicContact CD1-CE2 4.06Å; F188-F212 HydrophobicContact CD1-CZ 4.09Å; F188-F212 WeakPolarHBondContact O-CE1 3.21Å; F188-F212 WeakPolarHBondContact O-CZ 3.3Å; T193-F212 CarbonylContact O-C 3.5Å; T193-F212 WeakPolarHBondContact O-CA 3.25Å; I194-F212 HydrophobicContact CG1-CD1 4.3Å; I194-F212 HydrophobicContact CG1-CE1 3.94Å; I194-F212 HydrophobicContact CG1-CZ 4.43Å; L210-F212 HydrophobicContact CD2-CD2 3.5Å; L210-F212 HydrophobicContact CD2-CE1 4.5Å; L210-F212 HydrophobicContact CD2-CE2 3.33Å; L210-F212 HydrophobicContact CD2-CG 4.21Å; L210-F212 HydrophobicContact CD2-CZ 3.88Å; F212-N214 PolarHBondContact O-N 3.33Å; F212-Q217 HydrophobicContact CB-CB 4.11Å; F212-Q217 HydrophobicContact CD1-CB 3.71Å; F212-Q217 HydrophobicContact CE1-CB 4.3Å; F212-Q217 HydrophobicContact CG-CB 3.99Å; F212-A218 HydrophobicContact CB-CB 4.21Å; F212-A218 VanDerWaalsContact CD2-CA 3.49Å; F212-A218 HydrophobicContact CD2-CB 3.79Å; F212-A218 HydrophobicContact CG-CB 4.34Å; F212-A221 HydrophobicContact CE2-CB 3.61Å; F212-A221 HydrophobicContact CZ-CB 3.64Å
213	Q	90.1	Very high	89.1	Confident	114 Å²	114	34.8 Å²	34.8	53%	0.533	17%	0.172	S	C	.	.	S	Bend	trans	-64.9	-25.3	174.6	-179.1	61.9	93.3	0	0	113.3	T193 L195	T193-Q213 HydrophobicContact CG2-CB 4.35Å; T193-Q213 PolarHBondContact O-N 3.37Å; L195-Q213 HydrophobicContact CD2-CB 4.1Å; L195-Q213 HydrophobicContact CG-CB 4.36Å
214	N	86.1	Confident	89.4	Confident	73 Å²	73	30.1 Å²	30.1	39%	0.39	15%	0.147	S	C	.	.	S	Bend	trans	-145.8	141.4	-176.8	-175.2	-32.4	0	0	0	110.6	F212 I216 Q217 A218	F212-N214 PolarHBondContact O-N 3.33Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.75Å; N214-I216 PolarHBondContact OD1-N 3.2Å; N214-Q217 HydrophobicContact CB-CG 4.22Å; N214-Q217 WeakPolarHBondContact O-CB 3.13Å; N214-Q217 PolarHBondContact O-N 2.91Å; N214-Q217 VanDerWaalsContact O-N 3.08Å; N214-A218 PolarHBondContact O-N 3.35Å
215	H	86.2	Confident	90.2	Very high	19 Å²	19	24.2 Å²	24.2	9%	0.088	12%	0.115	C	C	.	.	H	α-helix	trans	-50.8	-41.5	173	163.6	-93.5	0	0	0	113.7	P163 N164 Q217 A218 F219 F241	P163-H215 HydrophobicContact CB-CB 3.65Å; P163-H215 HydrophobicContact CG-CB 3.97Å; N164-H215 PolarHBondContact O-CD2 3.23Å; H215-Q217 PolarHBondContact O-N 3Å; H215-A218 CarbonylContact O-C 3.43Å; H215-A218 WeakPolarHBondContact O-CB 3.4Å; H215-A218 PolarHBondContact O-N 3.41Å; H215-A218 VanDerWaalsContact O-N 3.1Å; H215-F219 AromaticContact CE1-CD1 3.82Å; H215-F219 WeakPolarHBondContact O-CB 3.48Å; H215-F219 PolarHBondContact O-N 3.04Å; H215-F241 AromaticContact NE2-CZ 3.92Å
216	I	88.1	Confident	90.6	Very high	24 Å²	24	25.9 Å²	25.9	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-39.6	-179.7	-63.8	171.2	0	0	0	110.2	P76 F77 N214 F219 V220	P76-I216 HydrophobicContact CB-CG2 4.34Å; F77-I216 HydrophobicContact CD1-CD1 4.49Å; F77-I216 HydrophobicContact CD1-CG2 3.79Å; F77-I216 HydrophobicContact CE1-CG2 3.36Å; F77-I216 HydrophobicContact CZ-CG2 3.83Å; N214-I216 VanDerWaalsContact C-N 3.27Å; N214-I216 PolarHBondContact O-N 2.75Å; N214-I216 PolarHBondContact OD1-N 3.2Å; I216-F219 PolarHBondContact O-N 3.12Å; I216-V220 HydrophobicContact CG2-CG2 4.38Å; I216-V220 WeakPolarHBondContact O-CB 3.29Å; I216-V220 VanDerWaalsContact O-CG2 3.22Å; I216-V220 WeakPolarHBondContact O-CG2 3.43Å; I216-V220 PolarHBondContact O-N 3.11Å
217	Q	91.5	Very high	90.5	Very high	17 Å²	17	27.1 Å²	27.1	8%	0.079	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-43.2	177	-62.9	174.2	-7.1	0	0	111.6	T193 F212 N214 H215 F219 A221	T193-Q217 PolarHBondContact O-OE1 3.49Å; F212-Q217 HydrophobicContact CB-CB 4.11Å; F212-Q217 HydrophobicContact CD1-CB 3.71Å; F212-Q217 HydrophobicContact CE1-CB 4.3Å; F212-Q217 HydrophobicContact CG-CB 3.99Å; N214-Q217 HydrophobicContact CB-CG 4.22Å; N214-Q217 WeakPolarHBondContact O-CB 3.13Å; N214-Q217 PolarHBondContact O-N 2.91Å; N214-Q217 VanDerWaalsContact O-N 3.08Å; H215-Q217 PolarHBondContact O-N 3Å; Q217-F219 VanDerWaalsContact C-N 3.35Å; Q217-A221 VanDerWaalsContact O-CB 3.29Å; Q217-A221 WeakPolarHBondContact O-CB 3.26Å; Q217-A221 PolarHBondContact O-N 3.28Å
218	A	90	Very high	90.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-42	174	0	0	0	0	0	112	L167 F212 N214 H215 A221 M222 F241	L167-A218 HydrophobicContact CD1-CB 4.43Å; L167-A218 HydrophobicContact CD2-CB 4.01Å; L167-A218 HydrophobicContact CG-CB 4.07Å; F212-A218 HydrophobicContact CB-CB 4.21Å; F212-A218 VanDerWaalsContact CD2-CA 3.49Å; F212-A218 HydrophobicContact CD2-CB 3.79Å; F212-A218 HydrophobicContact CG-CB 4.34Å; N214-A218 PolarHBondContact O-N 3.35Å; H215-A218 CarbonylContact O-C 3.43Å; H215-A218 WeakPolarHBondContact O-CB 3.4Å; H215-A218 PolarHBondContact O-N 3.41Å; H215-A218 VanDerWaalsContact O-N 3.1Å; A218-A221 PolarHBondContact O-N 3.41Å; A218-M222 WeakPolarHBondContact O-CB 3.2Å; A218-M222 PolarHBondContact O-N 2.93Å; A218-F241 HydrophobicContact CB-CE1 3.93Å
219	F	90	Very high	90.1	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-46.3	-179.2	-162.5	-175.1	0	0	0	111.6	P76 V150 L155 H215 I216 Q217 A221 M222 L223 F241	P76-F219 HydrophobicContact CB-CB 4.25Å; P76-F219 HydrophobicContact CB-CD1 4.01Å; P76-F219 HydrophobicContact CB-CG 4.23Å; P76-F219 HydrophobicContact CG-CG 4.5Å; V150-F219 HydrophobicContact CG1-CE2 4.37Å; V150-F219 HydrophobicContact CG1-CZ 4.4Å; L155-F219 HydrophobicContact CD1-CE1 3.9Å; H215-F219 AromaticContact CE1-CD1 3.82Å; H215-F219 WeakPolarHBondContact O-CB 3.48Å; H215-F219 PolarHBondContact O-N 3.04Å; I216-F219 PolarHBondContact O-N 3.12Å; Q217-F219 VanDerWaalsContact C-N 3.35Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.78Å; F219-M222 HydrophobicContact CD2-CE 3.85Å; F219-M222 HydrophobicContact CE2-CE 3.77Å; F219-M222 PolarHBondContact O-N 2.95Å; F219-L223 HydrophobicContact CD2-CD1 4.08Å; F219-L223 HydrophobicContact CD2-CD2 4.36Å; F219-L223 HydrophobicContact CD2-CG 3.91Å; F219-L223 HydrophobicContact CE2-CD1 3.96Å; F219-L223 HydrophobicContact CE2-CD2 3.9Å; F219-L223 HydrophobicContact CE2-CG 3.9Å; F219-L223 WeakPolarHBondContact O-CG 3.34Å; F219-L223 PolarHBondContact O-N 2.83Å; F219-F241 HydrophobicContact CB-CZ 3.9Å; F219-F241 HydrophobicContact CD2-CE2 4.03Å; F219-F241 HydrophobicContact CD2-CZ 4.19Å; F219-F241 HydrophobicContact CG-CE2 4.37Å; F219-F241 HydrophobicContact CG-CZ 4.14Å
220	V	90.8	Very high	89.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-46.9	172.7	173.7	0	0	0	0	110.6	P76 F77 Y109 F191 I216 M222 L223 L224	P76-V220 HydrophobicContact CB-CG2 3.61Å; P76-V220 HydrophobicContact CG-CG2 3.65Å; F77-V220 HydrophobicContact CE2-CG2 4.28Å; F77-V220 HydrophobicContact CZ-CG2 4.22Å; Y109-V220 HydrophobicContact CE1-CG1 4.46Å; F191-V220 HydrophobicContact CB-CG1 4.34Å; F191-V220 HydrophobicContact CD1-CG1 3.86Å; F191-V220 HydrophobicContact CG-CG1 4.49Å; I216-V220 HydrophobicContact CG2-CG2 4.38Å; I216-V220 WeakPolarHBondContact O-CB 3.29Å; I216-V220 VanDerWaalsContact O-CG2 3.22Å; I216-V220 WeakPolarHBondContact O-CG2 3.43Å; I216-V220 PolarHBondContact O-N 3.11Å; V220-M222 PolarHBondContact O-N 2.99Å; V220-L223 PolarHBondContact O-N 3.03Å; V220-L224 HydrophobicContact CG1-CD1 3.76Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 WeakPolarHBondContact O-CG 3.27Å; V220-L224 PolarHBondContact O-N 2.93Å
221	A	92.2	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-41.2	178.3	0	0	0	0	0	112.3	L167 F188 F191 F212 Q217 A218 F219 L224 L225	L167-A221 HydrophobicContact CD1-CB 4.03Å; F188-A221 HydrophobicContact CD1-CB 4.22Å; F191-A221 HydrophobicContact CB-CB 3.89Å; F191-A221 HydrophobicContact CD2-CB 4.07Å; F191-A221 HydrophobicContact CG-CB 4.07Å; F212-A221 HydrophobicContact CE2-CB 3.61Å; F212-A221 HydrophobicContact CZ-CB 3.64Å; Q217-A221 VanDerWaalsContact O-CB 3.29Å; Q217-A221 WeakPolarHBondContact O-CB 3.26Å; Q217-A221 PolarHBondContact O-N 3.28Å; A218-A221 PolarHBondContact O-N 3.41Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.78Å; A221-L224 PolarHBondContact O-N 3.42Å; A221-L225 HydrophobicContact CB-CD1 4.47Å; A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 WeakPolarHBondContact O-CG 3.47Å; A221-L225 PolarHBondContact O-N 2.98Å
222	M	90.8	Very high	88.3	Confident	15 Å²	15	41.1 Å²	41.1	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-52	176.4	-172.9	-172.7	82	0	0	111.5	L167 A218 F219 V220 L224 N226 V239 F241	L167-M222 HydrophobicContact CD2-CB 4.15Å; A218-M222 WeakPolarHBondContact O-CB 3.2Å; A218-M222 PolarHBondContact O-N 2.93Å; F219-M222 HydrophobicContact CD2-CE 3.85Å; F219-M222 HydrophobicContact CE2-CE 3.77Å; F219-M222 PolarHBondContact O-N 2.95Å; V220-M222 PolarHBondContact O-N 2.99Å; M222-L224 VanDerWaalsContact C-N 3.27Å; M222-L224 PolarHBondContact O-N 3.48Å; M222-N226 WeakPolarHBondContact O-CB 3.42Å; M222-N226 PolarHBondContact O-N 3.4Å; M222-V239 HydrophobicContact CB-CG1 4.16Å; M222-V239 HydrophobicContact CG-CB 4.46Å; M222-V239 HydrophobicContact CG-CG1 4.09Å; M222-V239 WeakPolarHBondContact CG-O 3.37Å; M222-F241 HydrophobicContact CE-CD2 4.13Å; M222-F241 HydrophobicContact CE-CE2 3.87Å; M222-F241 HydrophobicContact SD-CD2 3.48Å; M222-F241 WeakPolarHBondContact SD-CD2 3.47Å; M222-F241 HydrophobicContact SD-CE2 3.64Å; M222-F241 HydrophobicContact SD-CG 4.19Å; M222-F241 HydrophobicContact SD-CZ 4.45Å
223	L	89.5	Confident	87.4	Confident	33 Å²	33	41.8 Å²	41.8	17%	0.173	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-33.6	-177.5	-66.7	177.9	0	0	0	113.2	L72 I75 P76 V150 F219 V220	L72-L223 HydrophobicContact CD2-CD2 4.35Å; I75-L223 HydrophobicContact CD1-CD1 3.79Å; I75-L223 HydrophobicContact CG1-CD1 3.73Å; P76-L223 HydrophobicContact CG-CD1 3.71Å; V150-L223 HydrophobicContact CG1-CD2 3.86Å; F219-L223 HydrophobicContact CD2-CD1 4.08Å; F219-L223 HydrophobicContact CD2-CD2 4.36Å; F219-L223 HydrophobicContact CD2-CG 3.91Å; F219-L223 HydrophobicContact CE2-CD1 3.96Å; F219-L223 HydrophobicContact CE2-CD2 3.9Å; F219-L223 HydrophobicContact CE2-CG 3.9Å; F219-L223 WeakPolarHBondContact O-CG 3.34Å; F219-L223 PolarHBondContact O-N 2.83Å; V220-L223 PolarHBondContact O-N 3.03Å
224	L	89.5	Confident	86.8	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.188	21%	0.209	C	C	.	.	H	α-helix	trans	-94.6	-23.9	-173.9	-61	178.2	0	0	0	114	F73 V114 F191 V220 A221 M222 Q228	F73-L224 HydrophobicContact CD1-CD1 4.09Å; F73-L224 HydrophobicContact CD1-CD2 4.03Å; F73-L224 HydrophobicContact CE1-CD1 3.77Å; F73-L224 HydrophobicContact CE1-CD2 3.46Å; F73-L224 VanDerWaalsContact CE1-CD2 3.46Å; F73-L224 HydrophobicContact CE1-CG 4.27Å; F73-L224 HydrophobicContact CZ-CD2 4.15Å; V114-L224 HydrophobicContact CG2-CD1 3.91Å; F191-L224 HydrophobicContact CD1-CD1 3.97Å; F191-L224 HydrophobicContact CE1-CB 3.98Å; F191-L224 HydrophobicContact CE1-CD1 3.57Å; F191-L224 HydrophobicContact CE1-CG 4.42Å; F191-L224 HydrophobicContact CZ-CB 4.29Å; V220-L224 HydrophobicContact CG1-CD1 3.76Å; V220-L224 WeakPolarHBondContact O-CB 3.39Å; V220-L224 WeakPolarHBondContact O-CG 3.27Å; V220-L224 PolarHBondContact O-N 2.93Å; A221-L224 PolarHBondContact O-N 3.42Å; M222-L224 VanDerWaalsContact C-N 3.27Å; M222-L224 PolarHBondContact O-N 3.48Å; L224-Q228 WeakPolarHBondContact O-CG 3.25Å
225	L	91.6	Very high	86.7	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-104.3	-17.1	-179.5	-63.1	175.4	0	0	0	114.5	I187 F188 F191 A221 G227 Q228 L237 V239	I187-L225 HydrophobicContact CG2-CD1 3.83Å; I187-L225 HydrophobicContact CG2-CD2 3.69Å; I187-L225 HydrophobicContact CG2-CG 4.43Å; F188-L225 HydrophobicContact CD1-CD1 3.52Å; F188-L225 HydrophobicContact CD2-CD1 3.94Å; F188-L225 HydrophobicContact CE1-CD1 3.42Å; F188-L225 VanDerWaalsContact CE1-CD1 3.42Å; F188-L225 HydrophobicContact CE2-CD1 3.84Å; F188-L225 HydrophobicContact CG-CD1 3.79Å; F188-L225 HydrophobicContact CZ-CD1 3.58Å; F191-L225 HydrophobicContact CD2-CD1 4.02Å; F191-L225 HydrophobicContact CD2-CG 4.43Å; F191-L225 HydrophobicContact CE2-CD1 3.63Å; F191-L225 HydrophobicContact CE2-CD2 3.81Å; F191-L225 HydrophobicContact CE2-CG 3.71Å; F191-L225 HydrophobicContact CZ-CD2 4.04Å; F191-L225 HydrophobicContact CZ-CG 4.12Å; A221-L225 HydrophobicContact CB-CD1 4.47Å; A221-L225 WeakPolarHBondContact O-CB 3.49Å; A221-L225 WeakPolarHBondContact O-CG 3.47Å; A221-L225 PolarHBondContact O-N 2.98Å; L225-G227 PolarHBondContact O-N 3.05Å; L225-Q228 WeakPolarHBondContact O-CB 3.25Å; L225-Q228 PolarHBondContact O-N 2.76Å; L225-L237 HydrophobicContact CB-CD1 4.2Å; L225-V239 HydrophobicContact CB-CG2 4.1Å
226	N	90.5	Very high	86.8	Confident	83 Å²	83	34 Å²	34	44%	0.444	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	126.4	177.2	-167.4	23.5	0	0	0	110.7	M222 Q228 Q238 V239	M222-N226 WeakPolarHBondContact O-CB 3.42Å; M222-N226 PolarHBondContact O-N 3.4Å; N226-Q228 VanDerWaalsContact C-N 3.29Å; N226-Q228 PolarHBondContact O-N 2.99Å; N226-Q238 WeakPolarHBondContact OD1-CA 3.2Å; N226-V239 HydrophobicContact CB-CB 4.08Å; N226-V239 PolarHBondContact OD1-N 2.93Å
227	G	88.5	Confident	87	Confident	56 Å²	56	33 Å²	33	58%	0.577	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	-4.3	-173.7	0	0	0	0	0	115.4	L225 L237	L225-G227 PolarHBondContact O-N 3.05Å; G227-L237 WeakPolarHBondContact CA-O 3.28Å; G227-L237 PolarHBondContact N-O 2.9Å
228	Q	88.8	Confident	87	Confident	106 Å²	106	36 Å²	36	50%	0.495	21%	0.206	S	C	.	.			trans	-79.4	164.6	177.6	-61.6	-60.6	-18.7	0	0	112.2	L224 L225 N226 S236 L237	L224-Q228 WeakPolarHBondContact O-CG 3.25Å; L225-Q228 WeakPolarHBondContact O-CB 3.25Å; L225-Q228 PolarHBondContact O-N 2.76Å; N226-Q228 VanDerWaalsContact C-N 3.29Å; N226-Q228 PolarHBondContact O-N 2.99Å; Q228-S236 CarbonylContact O-C 3.52Å; Q228-L237 WeakPolarHBondContact O-CB 3.39Å; Q228-L237 PolarHBondContact O-N 2.82Å
229	N	86.4	Confident	87.2	Confident	72 Å²	72	36 Å²	36	39%	0.385	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	175.6	-58.8	-63.5	0	0	0	110.9	Y231 S236	N229-Y231 VanDerWaalsContact C-N 3.32Å; N229-Y231 WeakPolarHBondContact CB-O 3.47Å; N229-S236 WeakPolarHBondContact OD1-CA 3.37Å; N229-S236 WeakPolarHBondContact OD1-CB 3.44Å; N229-S236 PolarHBondContact OD1-OG 3.29Å
230	I	83.6	Confident	87.1	Confident	26 Å²	26	40 Å²	40	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	-40.6	172	-65	-177.4	0	0	0	110.6	I171 I179 I183 L184 I187 C235 L237	I171-I230 HydrophobicContact CD1-CD1 4.11Å; I171-I230 HydrophobicContact CG2-CD1 4.12Å; I179-I230 HydrophobicContact CD1-CD1 3.98Å; I183-I230 HydrophobicContact CG2-CD1 4.45Å; I183-I230 HydrophobicContact CG2-CG2 3.75Å; L184-I230 HydrophobicContact CD2-CD1 3.78Å; I187-I230 HydrophobicContact CD1-CB 3.99Å; I187-I230 HydrophobicContact CD1-CD1 4.33Å; I187-I230 HydrophobicContact CD1-CG1 3.71Å; I187-I230 HydrophobicContact CD1-CG2 3.75Å; I230-C235 HydrophobicContact CB-CB 3.74Å; I230-C235 HydrophobicContact CD1-CB 4.05Å; I230-C235 HydrophobicContact CG1-CB 4.1Å; I230-C235 WeakPolarHBondContact CG1-O 3.48Å; I230-C235 HydrophobicContact CG2-CB 4.45Å; I230-C235 PolarHBondContact N-O 3.41Å; I230-L237 HydrophobicContact CD1-CD2 3.8Å; I230-L237 HydrophobicContact CG1-CD1 4.26Å; I230-L237 HydrophobicContact CG1-CD2 3.64Å; I230-L237 HydrophobicContact CG1-CG 4.01Å
231	Y	82	Confident	87.1	Confident	51 Å²	51	41.1 Å²	41.1	20%	0.2	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.6	178.6	-57.7	-72.6	0	0	0	109.4	Q177 I179 I183 N229 G233 C234 C235 L276	Q177-Y231 HydrophobicContact CB-CE2 4.14Å; Q177-Y231 HydrophobicContact CG-CD2 4.22Å; Q177-Y231 HydrophobicContact CG-CE2 4.12Å; I179-Y231 HydrophobicContact CD1-CE2 3.97Å; I183-Y231 WeakPolarHBondContact CD1-OH 3.32Å; N229-Y231 VanDerWaalsContact C-N 3.32Å; N229-Y231 WeakPolarHBondContact CB-O 3.47Å; Y231-G233 PolarHBondContact O-N 2.92Å; Y231-C234 PolarHBondContact N-O 3.23Å; Y231-C234 PolarHBondContact O-N 3.37Å; Y231-C235 HydrophobicContact CD2-CB 4.01Å; Y231-C235 HydrophobicContact CE2-CB 4.5Å; Y231-L276 HydrophobicContact CE1-CD2 4.21Å
232	T	76.8	Confident	86.9	Confident	123 Å²	123	44.8 Å²	44.8	76%	0.755	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	103.5	179	-50.2	0	0	0	0	111.3
233	G	72.7	Confident	86.4	Confident	13 Å²	13	52.2 Å²	52.2	13%	0.134	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.2	-179.1	0	0	0	0	0	117.1	N173 Y231 N485	N173-G233 PolarHBondContact ND2-O 3.02Å; Y231-G233 PolarHBondContact O-N 2.92Å; G233-N485 VanDerWaalsContact CA-CB 3.45Å; G233-N485 VanDerWaalsContact O-CB 3.25Å; G233-N485 WeakPolarHBondContact O-CB 3.3Å; G233-N485 PolarHBondContact O-ND2 3.4Å
234	C	78.2	Confident	85.7	Confident	11 Å²	11	53 Å²	53	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168.5	171.5	74.2	0	0	0	0	113.6	N173 M175 Y231	N173-C234 WeakPolarHBondContact O-CB 3.27Å; M175-C234 HydrophobicContact CB-CB 4.18Å; M175-C234 HydrophobicContact CG-CB 3.74Å; M175-C234 HydrophobicContact SD-CB 3.55Å; M175-C234 VanDerWaalsContact SD-CB 3.55Å; Y231-C234 PolarHBondContact N-O 3.23Å; Y231-C234 PolarHBondContact O-N 3.37Å
235	C	82.1	Confident	84.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57.4	60.8	-173.3	-59.4	0	0	0	0	111.2	I171 D172 N173 I179 I230 Y231	I171-C235 HydrophobicContact CG2-CB 3.76Å; D172-C235 CarbonylContact O-C 3.56Å; D172-C235 WeakPolarHBondContact O-CA 3.48Å; N173-C235 PolarHBondContact O-N 3.45Å; I179-C235 HydrophobicContact CD1-CB 4.4Å; I230-C235 HydrophobicContact CB-CB 3.74Å; I230-C235 HydrophobicContact CD1-CB 4.05Å; I230-C235 HydrophobicContact CG1-CB 4.1Å; I230-C235 WeakPolarHBondContact CG1-O 3.48Å; I230-C235 HydrophobicContact CG2-CB 4.45Å; I230-C235 PolarHBondContact N-O 3.41Å; Y231-C235 HydrophobicContact CD2-CB 4.01Å; Y231-C235 HydrophobicContact CE2-CB 4.5Å
236	S	88.5	Confident	83.5	Confident	33 Å²	33	58.4 Å²	58.4	23%	0.231	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.9	-179.3	-52.5	0	0	0	0	110.5	I171 D172 Q228 N229	I171-S236 WeakPolarHBondContact CA-O 3.47Å; D172-S236 PolarHBondContact N-O 3.34Å; D172-S236 PolarHBondContact O-N 3.35Å; Q228-S236 CarbonylContact O-C 3.52Å; N229-S236 WeakPolarHBondContact OD1-CA 3.37Å; N229-S236 WeakPolarHBondContact OD1-CB 3.44Å; N229-S236 PolarHBondContact OD1-OG 3.29Å
237	L	92.5	Very high	82.4	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.3	-177.8	-59.6	179.4	0	0	0	110.2	V169 I171 F188 L225 G227 Q228 I230 V239	V169-L237 HydrophobicContact CG1-CD2 3.76Å; I171-L237 HydrophobicContact CG1-CD2 4.03Å; F188-L237 HydrophobicContact CE2-CD1 4.29Å; F188-L237 HydrophobicContact CZ-CD1 4.41Å; L225-L237 HydrophobicContact CB-CD1 4.2Å; G227-L237 WeakPolarHBondContact CA-O 3.28Å; G227-L237 PolarHBondContact N-O 2.9Å; Q228-L237 WeakPolarHBondContact O-CB 3.39Å; Q228-L237 PolarHBondContact O-N 2.82Å; I230-L237 HydrophobicContact CD1-CD2 3.8Å; I230-L237 HydrophobicContact CG1-CD1 4.26Å; I230-L237 HydrophobicContact CG1-CD2 3.64Å; I230-L237 HydrophobicContact CG1-CG 4.01Å; L237-V239 HydrophobicContact CB-CG2 3.99Å
238	Q	92.9	Very high	81.9	Confident	79 Å²	79	57.3 Å²	57.3	37%	0.369	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.4	157.8	-63.3	-179.1	-6.9	0	0	107.2	V169 V170 N226	V169-Q238 CarbonylContact C-O 3.22Å; V169-Q238 VanDerWaalsContact CA-O 3.3Å; V169-Q238 WeakPolarHBondContact CA-O 3.46Å; V170-Q238 HydrophobicContact CB-CB 4.26Å; V170-Q238 PolarHBondContact N-O 3.18Å; V170-Q238 PolarHBondContact O-N 3.5Å; N226-Q238 WeakPolarHBondContact OD1-CA 3.2Å
239	V	92.4	Very high	81.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.9	-174.5	-172	0	0	0	0	108.7	L167 V169 F188 M222 L225 N226 L237	L167-V239 HydrophobicContact CB-CG1 4.25Å; L167-V239 HydrophobicContact CD1-CG1 3.78Å; L167-V239 HydrophobicContact CD2-CG1 4.39Å; L167-V239 HydrophobicContact CG-CG1 4.37Å; V169-V239 HydrophobicContact CG1-CG2 4.31Å; V169-V239 HydrophobicContact CG2-CG1 4.21Å; V169-V239 HydrophobicContact CG2-CG2 4.3Å; F188-V239 HydrophobicContact CE1-CG1 4.39Å; F188-V239 HydrophobicContact CZ-CG2 4.2Å; M222-V239 HydrophobicContact CB-CG1 4.16Å; M222-V239 HydrophobicContact CG-CB 4.46Å; M222-V239 HydrophobicContact CG-CG1 4.09Å; M222-V239 WeakPolarHBondContact CG-O 3.37Å; L225-V239 HydrophobicContact CB-CG2 4.1Å; N226-V239 HydrophobicContact CB-CB 4.08Å; N226-V239 PolarHBondContact OD1-N 2.93Å; L237-V239 HydrophobicContact CB-CG2 3.99Å
240	E	89.8	Confident	80.7	Confident	86 Å²	86	56.2 Å²	56.2	40%	0.402	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.4	176.5	-63.5	-175.8	171.8	0	0	109.9	L167 H168 K243	L167-E240 CarbonylContact C-O 3.59Å; L167-E240 WeakPolarHBondContact CA-O 3.33Å; H168-E240 PolarHBondContact N-O 2.93Å; H168-E240 PolarHBondContact O-N 3.39Å; E240-K243 IonicContact OE2-NZ 2.75Å
241	F	88.9	Confident	80.3	Confident	23 Å²	23	65.2 Å²	65.2	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.5	165	-80.6	-64.9	0	0	0	111.3	D154 N164 L167 H215 A218 F219 M222 K243	D154-F241 HydrophobicContact CB-CD2 4.14Å; D154-F241 HydrophobicContact CB-CE2 4.18Å; N164-F241 HydrophobicContact CB-CD1 3.78Å; N164-F241 HydrophobicContact CB-CE1 4.28Å; N164-F241 HydrophobicContact CB-CG 4.43Å; N164-F241 VanDerWaalsContact O-CE1 3.29Å; N164-F241 WeakPolarHBondContact O-CE1 3.41Å; L167-F241 HydrophobicContact CD2-CD1 3.72Å; L167-F241 HydrophobicContact CD2-CE1 3.86Å; L167-F241 HydrophobicContact CD2-CG 4.37Å; H215-F241 AromaticContact NE2-CZ 3.92Å; A218-F241 HydrophobicContact CB-CE1 3.93Å; F219-F241 HydrophobicContact CB-CZ 3.9Å; F219-F241 HydrophobicContact CD2-CE2 4.03Å; F219-F241 HydrophobicContact CD2-CZ 4.19Å; F219-F241 HydrophobicContact CG-CE2 4.37Å; F219-F241 HydrophobicContact CG-CZ 4.14Å; M222-F241 HydrophobicContact CE-CD2 4.13Å; M222-F241 HydrophobicContact CE-CE2 3.87Å; M222-F241 HydrophobicContact SD-CD2 3.48Å; M222-F241 WeakPolarHBondContact SD-CD2 3.47Å; M222-F241 HydrophobicContact SD-CE2 3.64Å; M222-F241 HydrophobicContact SD-CG 4.19Å; M222-F241 HydrophobicContact SD-CZ 4.45Å; F241-K243 PolarHBondContact O-N 2.82Å
242	W	88.2	Confident	79.9	Confident	78 Å²	78	71.8 Å²	71.8	30%	0.295	36%	0.355	S	S	.	.			trans	-65.3	130.2	-179.8	180	-132.8	0	0	0	111.7	N164 V166 H168 L209 A244	N164-W242 PolarHBondContact ND2-N 2.78Å; N164-W242 PolarHBondContact ND2-O 2.79Å; V166-W242 HydrophobicContact CB-CB 3.93Å; V166-W242 HydrophobicContact CB-CG 4.48Å; V166-W242 HydrophobicContact CG1-CB 3.76Å; V166-W242 HydrophobicContact CG1-CG 4.04Å; V166-W242 VanDerWaalsContact O-CB 3.31Å; V166-W242 WeakPolarHBondContact O-CB 3.41Å; V166-W242 PolarHBondContact O-N 2.84Å; H168-W242 HydrophobicContact CB-CB 4.24Å; H168-W242 HydrophobicContact CB-CD2 4.37Å; H168-W242 HydrophobicContact CB-CE3 3.62Å; H168-W242 HydrophobicContact CB-CZ3 4.35Å; H168-W242 AromaticContact CD2-CE3 3.85Å; H168-W242 AromaticContact CD2-CZ3 3.67Å; H168-W242 AromaticContact CG-CE3 3.83Å; L209-W242 HydrophobicContact CD1-CD2 4.37Å; L209-W242 HydrophobicContact CD1-CH2 4.43Å; L209-W242 HydrophobicContact CD1-CZ2 3.86Å; L209-W242 HydrophobicContact CD2-CB 4.39Å; L209-W242 HydrophobicContact CD2-CD2 3.46Å; L209-W242 VanDerWaalsContact CD2-CD2 3.46Å; L209-W242 HydrophobicContact CD2-CE3 3.59Å; L209-W242 HydrophobicContact CD2-CG 3.87Å; L209-W242 HydrophobicContact CD2-CH2 4.26Å; L209-W242 HydrophobicContact CD2-CZ2 4.19Å; L209-W242 HydrophobicContact CD2-CZ3 3.98Å; W242-A244 HydrophobicContact CZ2-CB 4.31Å; W242-A244 PolarHBondContact O-N 3.45Å
243	K	81.1	Confident	80	Confident	170 Å²	170	69.9 Å²	69.9	74%	0.739	34%	0.338	S	S	*	.	S	Bend	trans	-74.6	-26	-170.6	-65.7	179.6	-176.5	172.1	0	113.4	E240 F241	E240-K243 IonicContact OE2-NZ 2.75Å; F241-K243 PolarHBondContact O-N 2.82Å
244	A	75.1	Confident	80.5	Confident	50 Å²	50	72.4 Å²	72.4	41%	0.413	35%	0.348	S	S	.	.	S	Bend	trans	-84.7	137.2	170.8	0	0	0	0	0	110.2	W242	W242-A244 HydrophobicContact CZ2-CB 4.31Å; W242-A244 PolarHBondContact O-N 3.45Å
245	R	67.9	Low	80.7	Confident	120 Å²	120	77.8 Å²	77.8	45%	0.453	38%	0.376	S	S	.	.			trans	-90.8	139.3	173	-66.8	-68.1	-166.4	-100.9	-3.6	109.6	N164	N164-R245 PolarHBondContact ND2-NH1 2.99Å
246	G	66.2	Low	80.8	Confident	44 Å²	44	81.7 Å²	81.7	45%	0.454	39%	0.393	S	S	.	.	S	Bend	trans	143.4	160.1	178.3	0	0	0	0	0	111.8
247	P	67.6	Low	80.8	Confident	99 Å²	99	80.9 Å²	80.9	64%	0.643	39%	0.387	S	S	*	.			trans	-64.1	151.5	172.7	29.6	-35.2	0	0	0	110.7
248	L	78.5	Confident	80.6	Confident	17 Å²	17	82.4 Å²	82.4	9%	0.089	39%	0.393	C	S	.	.			trans	-81.7	121.4	175.9	-176.2	60.4	0	0	0	109.8	R196 L198 L209 E211	R196-L248 HydrophobicContact CB-CB 4.42Å; R196-L248 HydrophobicContact CB-CD2 3.92Å; R196-L248 HydrophobicContact CB-CG 4.4Å; R196-L248 WeakPolarHBondContact CD-O 3.36Å; R196-L248 PolarHBondContact NE-O 3.41Å; L198-L248 HydrophobicContact CB-CD1 4.31Å; L198-L248 HydrophobicContact CB-CD2 4.02Å; L198-L248 HydrophobicContact CB-CG 4.47Å; L209-L248 HydrophobicContact CB-CD1 3.78Å; L209-L248 HydrophobicContact CB-CD2 3.8Å; L209-L248 HydrophobicContact CB-CG 4.47Å; L209-L248 HydrophobicContact CD1-CD1 3.71Å; L209-L248 HydrophobicContact CG-CD1 4.4Å; L209-L248 WeakPolarHBondContact O-CD2 3.14Å; E211-L248 HydrophobicContact CB-CB 4.32Å; E211-L248 WeakPolarHBondContact OE2-CB 3.43Å; E211-L248 PolarHBondContact OE2-N 2.92Å
249	E	75.5	Confident	80.5	Confident	128 Å²	128	79.1 Å²	79.1	60%	0.598	38%	0.378	S	S	*	.			trans	-92.3	110.9	174.1	-71.7	-173	179.3	0	0	111.7	R251	E249-R251 HydrophobicContact CB-CG 4.48Å; E249-R251 PolarHBondContact O-N 3.22Å; E249-R251 IonicContact OE2-NH1 2.86Å; E249-R251 PolarHBondContact OE2-NH1 2.85Å; E249-R251 VanDerWaalsContact OE2-NH1 3.17Å
250	V	75.1	Confident	80.3	Confident	27 Å²	27	79.9 Å²	79.9	16%	0.164	38%	0.38	C	S	.	.			trans	-84.9	94.9	171	178.1	0	0	0	0	109.3	R196 R252 C257 D259	R196-V250 HydrophobicContact CB-CG2 4.03Å; R196-V250 HydrophobicContact CG-CG2 4.3Å; V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 2.9Å; V250-C257 HydrophobicContact CG1-CB 4.14Å; V250-D259 HydrophobicContact CB-CB 4.14Å; V250-D259 HydrophobicContact CG1-CB 4.49Å; V250-D259 HydrophobicContact CG2-CB 4.29Å
251	R	74.5	Confident	80.1	Confident	214 Å²	214	79.5 Å²	79.5	81%	0.808	38%	0.384	S	S	*	.			trans	-76.3	-9.9	-176.4	-55.8	179.1	76.9	90	-5.1	114.7	E249	E249-R251 HydrophobicContact CB-CG 4.48Å; E249-R251 PolarHBondContact O-N 3.22Å; E249-R251 IonicContact OE2-NH1 2.86Å; E249-R251 PolarHBondContact OE2-NH1 2.85Å; E249-R251 VanDerWaalsContact OE2-NH1 3.17Å
252	R	73	Confident	79.9	Confident	189 Å²	189	84.4 Å²	84.4	71%	0.713	41%	0.41	S	S	*	.	S	Bend	trans	-162.1	129.8	-179.3	-174.7	-173.5	-62.3	-172.5	0.2	109.6	V250 C257	V250-R252 VanDerWaalsContact C-N 3.28Å; V250-R252 PolarHBondContact O-N 2.9Å; R252-C257 WeakPolarHBondContact O-CB 3.24Å
253	E	78.8	Confident	79.7	Confident	84 Å²	84	82.2 Å²	82.2	39%	0.393	41%	0.407	S	S	.	.			trans	-84.1	139.7	170.8	-53.1	-151.2	124.2	0	0	111.4	C257 D259 S263	E253-C257 CarbonylContact C-O 3.58Å; E253-C257 VanDerWaalsContact CA-O 3.25Å; E253-C257 WeakPolarHBondContact CA-O 3.23Å; E253-D259 PolarHBondContact OE1-N 3.48Å; E253-S263 PolarHBondContact OE1-OG 3.23Å; E253-S263 WeakPolarHBondContact OE2-CB 3.48Å; E253-S263 PolarHBondContact OE2-OG 3.2Å
254	N	84.4	Confident	79.7	Confident	66 Å²	66	78.1 Å²	78.1	35%	0.353	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-175.3	-178.9	175.1	54.6	65.7	0	0	0	110	H181 K256 C257	H181-N254 PolarHBondContact CD2-O 3.49Å; H181-N254 VanDerWaalsContact CD2-O 3.28Å; N254-K256 PolarHBondContact O-N 2.98Å; N254-K256 WeakPolarHBondContact OD1-CA 3.33Å; N254-K256 VanDerWaalsContact OD1-CB 3.31Å; N254-K256 WeakPolarHBondContact OD1-CB 3.4Å; N254-K256 PolarHBondContact OD1-N 3.22Å; N254-C257 PolarHBondContact N-O 2.83Å; N254-C257 CarbonylContact O-C 3.49Å; N254-C257 PolarHBondContact O-N 2.85Å; N254-C257 PolarHBondContact OD1-N 3.32Å
255	D	81.8	Confident	79.7	Confident	124 Å²	124	77.1 Å²	77.1	66%	0.663	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-18	178.7	-53.8	-36.4	0	0	0	115.7	N180 H181	N180-D255 CarbonylContact C-O 3.51Å; N180-D255 WeakPolarHBondContact CA-O 3.38Å; N180-D255 WeakPolarHBondContact CB-O 3.46Å; H181-D255 PolarHBondContact CD2-O 2.65Å; H181-D255 PolarHBondContact N-O 3.31Å
256	K	84.4	Confident	80	Confident	82 Å²	82	74.9 Å²	74.9	36%	0.357	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-25.1	178.2	-64	-177.1	-177.5	178.5	0	113.7	I199 N254	I199-K256 HydrophobicContact CB-CB 3.97Å; I199-K256 WeakPolarHBondContact CB-O 3.38Å; I199-K256 VanDerWaalsContact CG1-O 3.29Å; I199-K256 WeakPolarHBondContact CG1-O 3.48Å; I199-K256 PolarHBondContact N-O 2.86Å; I199-K256 WeakPolarHBondContact O-CB 3.42Å; N254-K256 PolarHBondContact O-N 2.98Å; N254-K256 WeakPolarHBondContact OD1-CA 3.33Å; N254-K256 VanDerWaalsContact OD1-CB 3.31Å; N254-K256 WeakPolarHBondContact OD1-CB 3.4Å; N254-K256 PolarHBondContact OD1-N 3.22Å
257	C	88.4	Confident	80.2	Confident	15 Å²	15	78.7 Å²	78.7	10%	0.101	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.1	-172.4	-57.6	0	0	0	0	111.2	V197 V250 R252 E253 N254	V197-C257 CarbonylContact O-C 3.53Å; V197-C257 VanDerWaalsContact O-CA 3.25Å; V197-C257 WeakPolarHBondContact O-CA 3.48Å; V250-C257 HydrophobicContact CG1-CB 4.14Å; R252-C257 WeakPolarHBondContact O-CB 3.24Å; E253-C257 CarbonylContact C-O 3.58Å; E253-C257 VanDerWaalsContact CA-O 3.25Å; E253-C257 WeakPolarHBondContact CA-O 3.23Å; N254-C257 PolarHBondContact N-O 2.83Å; N254-C257 CarbonylContact O-C 3.49Å; N254-C257 PolarHBondContact O-N 2.85Å; N254-C257 PolarHBondContact OD1-N 3.32Å
258	R	88.1	Confident	80.3	Confident	35 Å²	35	80.2 Å²	80.2	13%	0.132	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	140.8	175.4	-170.2	158.9	168.2	-179.2	-11.6	110.7	H181 V197 Y260 S263 P264 E269	H181-R258 VanDerWaalsContact CE1-CD 3.42Å; H181-R258 WeakPolarHBondContact CE1-CD 3.35Å; V197-R258 PolarHBondContact N-O 3.22Å; V197-R258 PolarHBondContact O-N 2.89Å; R258-Y260 HydrophobicContact CB-CD1 4.5Å; R258-Y260 HydrophobicContact CB-CE1 4.03Å; R258-Y260 HydrophobicContact CG-CD1 3.92Å; R258-Y260 HydrophobicContact CG-CE1 3.75Å; R258-S263 PolarHBondContact NE-O 3.19Å; R258-S263 PolarHBondContact NH2-O 3.06Å; R258-P264 PolarHBondContact NH2-O 3.46Å; R258-E269 IonicContact CZ-OE1 3.79Å; R258-E269 IonicContact CZ-OE2 3.56Å; R258-E269 IonicContact NH1-OE1 2.74Å; R258-E269 PolarHBondContact NH1-OE1 2.9Å; R258-E269 IonicContact NH1-OE2 3.53Å; R258-E269 IonicContact NH2-OE1 3.51Å; R258-E269 IonicContact NH2-OE2 3.6Å; R258-E269 PolarHBondContact NH2-OE2 3.08Å
259	D	89.8	Confident	80	Confident	10 Å²	10	82 Å²	82	5%	0.053	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.8	169.6	-169.2	-31.1	0	0	0	108.3	R196 V250 E253 T261 I262 S263	R196-D259 WeakPolarHBondContact CD-OD2 3.4Å; R196-D259 HydrophobicContact CG-CB 4.32Å; R196-D259 IonicContact CZ-OD2 2.75Å; R196-D259 IonicContact NE-OD1 3.67Å; R196-D259 IonicContact NE-OD2 3.58Å; R196-D259 PolarHBondContact NE-OD2 3.05Å; R196-D259 IonicContact NH2-OD2 2.7Å; V250-D259 HydrophobicContact CB-CB 4.14Å; V250-D259 HydrophobicContact CG1-CB 4.49Å; V250-D259 HydrophobicContact CG2-CB 4.29Å; E253-D259 PolarHBondContact OE1-N 3.48Å; D259-T261 PolarHBondContact O-N 2.84Å; D259-T261 WeakPolarHBondContact OD1-CA 3.38Å; D259-T261 VanDerWaalsContact OD1-CB 3.29Å; D259-T261 WeakPolarHBondContact OD1-CB 3.36Å; D259-T261 PolarHBondContact OD1-N 2.96Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-I262 HydrophobicContact CB-CB 4.37Å; D259-I262 HydrophobicContact CB-CD1 4.14Å; D259-I262 HydrophobicContact CB-CG1 4.28Å; D259-I262 PolarHBondContact O-N 3.31Å; D259-S263 PolarHBondContact O-N 3.44Å
260	Y	88.9	Confident	79.6	Confident	17 Å²	17	78.9 Å²	78.9	7%	0.067	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.5	-178.8	-57	-62.5	0	0	0	113.3	H181 Y185 I194 L195 V197 R258 I262 L265	H181-Y260 AromaticContact ND1-CE1 4Å; H181-Y260 AromaticContact ND1-CZ 3.76Å; H181-Y260 PolarHBondContact ND1-OH 2.78Å; H181-Y260 PolarHBondContact O-OH 2.78Å; Y185-Y260 AromaticContact CD2-CD2 3.91Å; Y185-Y260 HydrophobicContact CD2-CD2 3.91Å; Y185-Y260 HydrophobicContact CD2-CE1 4.24Å; Y185-Y260 AromaticContact CD2-CE2 3.44Å; Y185-Y260 HydrophobicContact CD2-CE2 3.44Å; Y185-Y260 VanDerWaalsContact CD2-CE2 3.44Å; Y185-Y260 HydrophobicContact CD2-CG 4.46Å; Y185-Y260 AromaticContact CD2-CZ 3.61Å; Y185-Y260 HydrophobicContact CE2-CD2 4.04Å; Y185-Y260 HydrophobicContact CE2-CE2 4.05Å; Y185-Y260 HydrophobicContact CE2-CG 4.3Å; Y185-Y260 HydrophobicContact CG-CE2 4.38Å; I194-Y260 HydrophobicContact CB-CD2 4.41Å; I194-Y260 HydrophobicContact CG2-CD2 4Å; I194-Y260 HydrophobicContact CG2-CE2 4.13Å; L195-Y260 WeakPolarHBondContact O-CA 3.4Å; L195-Y260 WeakPolarHBondContact O-CB 3.22Å; L195-Y260 PolarHBondContact O-N 3.15Å; V197-Y260 HydrophobicContact CB-CE2 4.13Å; V197-Y260 HydrophobicContact CG2-CE2 3.76Å; R258-Y260 HydrophobicContact CB-CD1 4.5Å; R258-Y260 HydrophobicContact CB-CE1 4.03Å; R258-Y260 HydrophobicContact CG-CD1 3.92Å; R258-Y260 HydrophobicContact CG-CE1 3.75Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-L265 HydrophobicContact CD1-CD1 3.44Å; Y260-L265 VanDerWaalsContact CD1-CD1 3.44Å; Y260-L265 HydrophobicContact CE1-CD1 3.27Å; Y260-L265 HydrophobicContact CE1-CG 4.24Å; Y260-L265 HydrophobicContact CG-CD1 4.27Å
261	T	86.8	Confident	79.1	Confident	77 Å²	77	82.1 Å²	82.1	47%	0.472	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.2	169.1	73.7	0	0	0	0	112.4	L195 D259	L195-T261 HydrophobicContact CB-CG2 3.9Å; L195-T261 HydrophobicContact CD2-CG2 3.77Å; L195-T261 HydrophobicContact CG-CG2 4.34Å; D259-T261 PolarHBondContact O-N 2.84Å; D259-T261 WeakPolarHBondContact OD1-CA 3.38Å; D259-T261 VanDerWaalsContact OD1-CB 3.29Å; D259-T261 WeakPolarHBondContact OD1-CB 3.36Å; D259-T261 PolarHBondContact OD1-N 2.96Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å
262	I	84	Confident	78.3	Confident	126 Å²	126	75.6 Å²	75.6	65%	0.646	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-47.7	177	-57.7	175.2	0	0	0	110.1	D259 Y260 P264	D259-I262 HydrophobicContact CB-CB 4.37Å; D259-I262 HydrophobicContact CB-CD1 4.14Å; D259-I262 HydrophobicContact CB-CG1 4.28Å; D259-I262 PolarHBondContact O-N 3.31Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; I262-P264 WeakPolarHBondContact O-CD 3.49Å
263	S	83	Confident	77.3	Confident	33 Å²	33	67.3 Å²	67.3	23%	0.231	37%	0.366	C	S	.	.	S	Bend	trans	-122.2	71	-173.9	-65.5	0	0	0	0	110.4	E253 R258 D259	E253-S263 PolarHBondContact OE1-OG 3.23Å; E253-S263 WeakPolarHBondContact OE2-CB 3.48Å; E253-S263 PolarHBondContact OE2-OG 3.2Å; R258-S263 PolarHBondContact NE-O 3.19Å; R258-S263 PolarHBondContact NH2-O 3.06Å; D259-S263 PolarHBondContact O-N 3.44Å
264	P	81.2	Confident	75.7	Confident	83 Å²	83	71.2 Å²	71.2	54%	0.539	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.2	161	176.5	26.6	-35.5	0	0	0	111.7	R258 I262	R258-P264 PolarHBondContact NH2-O 3.46Å; I262-P264 WeakPolarHBondContact O-CD 3.49Å
265	L	76	Confident	73.5	Confident	29 Å²	29	72.3 Å²	72.3	15%	0.152	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-71.8	144.1	173.9	-73.2	82	0	0	0	110.3	Y185 Y260 E269 L273	Y185-L265 HydrophobicContact CD1-CD1 3.85Å; Y185-L265 HydrophobicContact CD1-CD2 3.63Å; Y185-L265 HydrophobicContact CD1-CG 4.43Å; Y185-L265 HydrophobicContact CD2-CD1 3.84Å; Y185-L265 HydrophobicContact CE1-CD1 3.65Å; Y185-L265 HydrophobicContact CE1-CD2 3.8Å; Y185-L265 HydrophobicContact CE1-CG 4.33Å; Y185-L265 HydrophobicContact CE2-CD1 3.63Å; Y185-L265 HydrophobicContact CG-CD1 3.94Å; Y185-L265 HydrophobicContact CG-CD2 4.25Å; Y260-L265 HydrophobicContact CD1-CD1 3.44Å; Y260-L265 VanDerWaalsContact CD1-CD1 3.44Å; Y260-L265 HydrophobicContact CE1-CD1 3.27Å; Y260-L265 HydrophobicContact CE1-CG 4.24Å; Y260-L265 HydrophobicContact CG-CD1 4.27Å; L265-E269 VanDerWaalsContact CA-OE2 3.28Å; L265-E269 WeakPolarHBondContact CA-OE2 3.32Å; L265-E269 HydrophobicContact CB-CB 4.23Å; L265-E269 HydrophobicContact CD2-CB 4.25Å; L265-E269 HydrophobicContact CG-CB 4.47Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å
266	T	74.7	Confident	71.4	Confident	74 Å²	74	69.7 Å²	69.7	45%	0.454	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-75.6	160	165.4	68.1	0	0	0	0	111.1	D268 E269 L270	T266-D268 PolarHBondContact O-N 3.29Å; T266-E269 PolarHBondContact N-OE2 3.38Å; T266-E269 WeakPolarHBondContact O-CB 3.5Å; T266-E269 PolarHBondContact O-N 3.06Å; T266-E269 WeakPolarHBondContact OG1-CG 3.41Å; T266-E269 PolarHBondContact OG1-N 3.3Å; T266-E269 VanDerWaalsContact OG1-N 3.11Å; T266-L270 PolarHBondContact O-N 3.5Å
267	D	70.5	Confident	68.9	Low	123 Å²	123	71.6 Å²	71.6	66%	0.658	41%	0.408	S	S	*	.	H	α-helix	trans	-61.8	-32	174.4	-67.8	-54.4	0	0	0	112	L270 N271	D267-L270 PolarHBondContact O-N 3.46Å; D267-N271 VanDerWaalsContact O-CB 3.3Å; D267-N271 WeakPolarHBondContact O-CB 3.29Å; D267-N271 PolarHBondContact O-N 2.98Å; D267-N271 PolarHBondContact O-ND2 3.48Å
268	D	69.9	Low	66.1	Low	131 Å²	131	73.8 Å²	73.8	70%	0.701	43%	0.434	S	S	*	.	H	α-helix	trans	-67.4	-43.6	174.4	-65.4	-44.1	0	0	0	112.1	T266 L270 N271 S272	T266-D268 PolarHBondContact O-N 3.29Å; D268-L270 VanDerWaalsContact C-N 3.31Å; D268-L270 PolarHBondContact O-N 3.36Å; D268-N271 PolarHBondContact O-N 2.87Å; D268-S272 WeakPolarHBondContact O-CB 3.31Å; D268-S272 PolarHBondContact O-N 3.45Å
269	E	70.4	Confident	63.5	Low	54 Å²	54	74.3 Å²	74.3	25%	0.252	45%	0.45	S	S	.	.	H	α-helix	trans	-55.2	-52.3	169.7	-75.6	-179.1	121.5	0	0	108.5	R258 L265 T266 N271 S272 L273	R258-E269 IonicContact CZ-OE1 3.79Å; R258-E269 IonicContact CZ-OE2 3.56Å; R258-E269 IonicContact NH1-OE1 2.74Å; R258-E269 PolarHBondContact NH1-OE1 2.9Å; R258-E269 IonicContact NH1-OE2 3.53Å; R258-E269 IonicContact NH2-OE1 3.51Å; R258-E269 IonicContact NH2-OE2 3.6Å; R258-E269 PolarHBondContact NH2-OE2 3.08Å; L265-E269 VanDerWaalsContact CA-OE2 3.28Å; L265-E269 WeakPolarHBondContact CA-OE2 3.32Å; L265-E269 HydrophobicContact CB-CB 4.23Å; L265-E269 HydrophobicContact CD2-CB 4.25Å; L265-E269 HydrophobicContact CG-CB 4.47Å; T266-E269 PolarHBondContact N-OE2 3.38Å; T266-E269 WeakPolarHBondContact O-CB 3.5Å; T266-E269 PolarHBondContact O-N 3.06Å; T266-E269 WeakPolarHBondContact OG1-CG 3.41Å; T266-E269 PolarHBondContact OG1-N 3.3Å; T266-E269 VanDerWaalsContact OG1-N 3.11Å; E269-N271 PolarHBondContact O-N 3.2Å; E269-S272 PolarHBondContact O-N 3.45Å; E269-S272 PolarHBondContact O-OG 3.1Å; E269-L273 WeakPolarHBondContact O-CD2 3.41Å; E269-L273 WeakPolarHBondContact O-CG 3.29Å; E269-L273 PolarHBondContact O-N 2.97Å
270	L	68.7	Low	60.8	Low	64 Å²	64	79.6 Å²	79.6	34%	0.335	48%	0.482	S	S	.	.	H	α-helix	trans	-61.3	-40.5	-177.3	-167	63.1	0	0	0	114	Y185 T266 D267 D268 L273	Y185-L270 HydrophobicContact CE1-CD1 4.24Å; T266-L270 PolarHBondContact O-N 3.5Å; D267-L270 PolarHBondContact O-N 3.46Å; D268-L270 VanDerWaalsContact C-N 3.31Å; D268-L270 PolarHBondContact O-N 3.36Å; L270-L273 HydrophobicContact CD1-CD1 3.98Å; L270-L273 WeakPolarHBondContact O-CB 3.21Å; L270-L273 WeakPolarHBondContact O-CG 3.32Å; L270-L273 PolarHBondContact O-N 3.08Å; L270-L273 VanDerWaalsContact O-N 3.15Å
271	N	63.6	Low	58.2	Low	95 Å²	95	84.5 Å²	84.5	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-72.3	-39.2	179.7	-74.5	-35.9	0	0	0	112	D267 D268 E269 L273 Q274	D267-N271 VanDerWaalsContact O-CB 3.3Å; D267-N271 WeakPolarHBondContact O-CB 3.29Å; D267-N271 PolarHBondContact O-N 2.98Å; D267-N271 PolarHBondContact O-ND2 3.48Å; D268-N271 PolarHBondContact O-N 2.87Å; E269-N271 PolarHBondContact O-N 3.2Å; N271-L273 PolarHBondContact O-N 2.97Å; N271-Q274 PolarHBondContact O-N 2.89Å
272	S	58.1	Low	55.6	Low	76 Å²	76	84.6 Å²	84.6	53%	0.531	52%	0.523	S	S	.	.	H	α-helix	trans	-58.7	-17.9	170.7	82	0	0	0	0	112.4	D268 E269 Q274	D268-S272 WeakPolarHBondContact O-CB 3.31Å; D268-S272 PolarHBondContact O-N 3.45Å; E269-S272 PolarHBondContact O-N 3.45Å; E269-S272 PolarHBondContact O-OG 3.1Å; S272-Q274 VanDerWaalsContact C-N 3.34Å; S272-Q274 PolarHBondContact O-N 3.36Å
273	L	51.5	Low	52.9	Low	15 Å²	15	83.7 Å²	83.7	8%	0.079	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.6	-179	-50.6	-166.7	0	0	0	113.6	V182 Y185 K186 L265 E269 L270 N271 A275	V182-L273 HydrophobicContact CG1-CD1 4.41Å; V182-L273 HydrophobicContact CG1-CD2 3.26Å; V182-L273 HydrophobicContact CG1-CG 4.49Å; Y185-L273 HydrophobicContact CD1-CD1 4.22Å; K186-L273 HydrophobicContact CD-CB 3.78Å; K186-L273 HydrophobicContact CD-CD2 4.42Å; K186-L273 HydrophobicContact CD-CG 4.41Å; K186-L273 WeakPolarHBondContact CD-O 3.36Å; K186-L273 VanDerWaalsContact CE-CA 3.42Å; K186-L273 VanDerWaalsContact CE-CB 3.48Å; K186-L273 VanDerWaalsContact CE-CD2 3.47Å; K186-L273 WeakPolarHBondContact CE-O 3.39Å; K186-L273 HydrophobicContact CG-CB 3.8Å; K186-L273 HydrophobicContact CG-CD1 3.77Å; K186-L273 HydrophobicContact CG-CD2 4.25Å; K186-L273 HydrophobicContact CG-CG 4.08Å; K186-L273 VanDerWaalsContact NZ-CA 3.31Å; K186-L273 PolarHBondContact NZ-O 3.42Å; L265-L273 HydrophobicContact CD2-CD1 3.88Å; E269-L273 WeakPolarHBondContact O-CD2 3.41Å; E269-L273 WeakPolarHBondContact O-CG 3.29Å; E269-L273 PolarHBondContact O-N 2.97Å; L270-L273 HydrophobicContact CD1-CD1 3.98Å; L270-L273 WeakPolarHBondContact O-CB 3.21Å; L270-L273 WeakPolarHBondContact O-CG 3.32Å; L270-L273 PolarHBondContact O-N 3.08Å; L270-L273 VanDerWaalsContact O-N 3.15Å; N271-L273 PolarHBondContact O-N 2.97Å; L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 2.98Å
274	Q	46.7	Very low	50.3	Low	167 Å²	167	87.8 Å²	87.8	78%	0.78	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-25.9	-176.1	-68	-178.8	-30.8	0	0	113.4	N271 S272 L276	N271-Q274 PolarHBondContact O-N 2.89Å; S272-Q274 VanDerWaalsContact C-N 3.34Å; S272-Q274 PolarHBondContact O-N 3.36Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.34Å; Q274-L276 VanDerWaalsContact O-N 3.1Å
275	A	38	Very low	47.7	Very low	88 Å²	88	90.5 Å²	90.5	73%	0.727	56%	0.561	S	S	*	*			trans	-86.4	40	-171	0	0	0	0	0	115.3	L273	L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 2.98Å
276	L	37.8	Very low	45.5	Very low	69 Å²	69	96.3 Å²	96.3	36%	0.361	59%	0.592	S	S	.	*			trans	-86.3	120.2	170	-91.6	168.6	0	0	0	111.1	K186 Y231 Q274 G278	K186-L276 HydrophobicContact CD-CD1 3.52Å; K186-L276 HydrophobicContact CD-CG 4.47Å; Y231-L276 HydrophobicContact CE1-CD2 4.21Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.34Å; Q274-L276 VanDerWaalsContact O-N 3.1Å; L276-G278 PolarHBondContact O-N 3.14Å
277	P	31.3	Very low	43.2	Very low	122 Å²	122	98.2 Å²	98.2	79%	0.792	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	122.9	172.4	29.1	-32.5	0	0	0	109.6
278	G	30.3	Very low	41.4	Very low	62 Å²	62	98.5 Å²	98.5	64%	0.639	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.2	8.2	179.8	0	0	0	0	0	115.6	L276	L276-G278 PolarHBondContact O-N 3.14Å
279	G	32.8	Very low	39.5	Very low	45 Å²	45	99.2 Å²	99.2	46%	0.464	62%	0.618	S	S	.	*			trans	-59.9	141.2	169.1	0	0	0	0	0	112.8	T281	G279-T281 PolarHBondContact O-N 3.4Å
280	V	33.5	Very low	37.6	Very low	122 Å²	122	103.9 Å²	103.9	74%	0.739	64%	0.644	S	S	*	*	S	Bend	trans	-63.9	81	165.9	-87.9	0	0	0	0	110.9
281	T	34.8	Very low	35.8	Very low	120 Å²	120	104.7 Å²	104.7	74%	0.736	66%	0.655	S	S	*	*			trans	-144	115.3	169.4	45.1	0	0	0	0	109	G279 S283	G279-T281 PolarHBondContact O-N 3.4Å; T281-S283 PolarHBondContact O-N 3.3Å
282	A	32.1	Very low	34.4	Very low	79 Å²	79	108 Å²	108	65%	0.653	67%	0.671	S	S	*	*			trans	-64.9	123.8	173.6	0	0	0	0	0	110	T284	A282-T284 VanDerWaalsContact C-N 3.34Å; A282-T284 PolarHBondContact O-N 3.1Å
283	S	26	Very low	33.3	Very low	107 Å²	107	109.8 Å²	109.8	75%	0.748	68%	0.684	S	S	*	*			trans	-62	97.9	164	178.9	0	0	0	0	108.7	T281	T281-S283 PolarHBondContact O-N 3.3Å
284	T	29.1	Very low	32.5	Very low	119 Å²	119	117.8 Å²	117.8	73%	0.73	72%	0.721	S	S	*	*			trans	-103.2	103.1	166.7	-53	0	0	0	0	107	A282 N286	A282-T284 VanDerWaalsContact C-N 3.34Å; A282-T284 PolarHBondContact O-N 3.1Å; T284-N286 PolarHBondContact O-N 3.23Å; T284-N286 VanDerWaalsContact O-N 3.16Å
285	N	26.1	Very low	32	Very low	140 Å²	140	114.6 Å²	114.6	75%	0.749	71%	0.714	S	S	*	*			trans	-53	120.1	172.4	-66.5	-46.7	0	0	0	109.7
286	N	29.6	Very low	31.9	Very low	150 Å²	150	115.4 Å²	115.4	80%	0.802	72%	0.715	S	S	*	*			trans	-140.5	75.4	160.3	-150	18.6	0	0	0	109.3	T284 T288	T284-N286 PolarHBondContact O-N 3.23Å; T284-N286 VanDerWaalsContact O-N 3.16Å; N286-T288 PolarHBondContact O-N 3.12Å
287	S	27.4	Very low	31.8	Very low	114 Å²	114	119.8 Å²	119.8	80%	0.797	74%	0.737	S	S	*	*			trans	-65.9	115.4	173.4	28	0	0	0	0	109.8
288	T	32.5	Very low	31.8	Very low	129 Å²	129	117.3 Å²	117.3	79%	0.791	73%	0.733	S	S	*	*			trans	-121.9	121.6	162.9	-58.8	0	0	0	0	109.3	N286	N286-T288 PolarHBondContact O-N 3.12Å
289	I	28.5	Very low	32.2	Very low	147 Å²	147	123.1 Å²	123.1	75%	0.754	74%	0.744	S	S	*	*			trans	-65.4	139.4	-172.4	-67.4	149.9	0	0	0	112.1
290	N	31.7	Very low	32.2	Very low	152 Å²	152	127.7 Å²	127.7	81%	0.813	76%	0.758	S	S	*	*			trans	-176.2	136.4	139.7	-88.5	-18.7	0	0	0	106.5
291	S	31.3	Very low	32.2	Very low	81 Å²	81	128.6 Å²	128.6	57%	0.566	76%	0.757	S	S	*	*			cis	167.6	152.9	-11.8	44.7	0	0	0	0	105.3
292	I	33	Very low	32.2	Very low	165 Å²	165	127.7 Å²	127.7	85%	0.846	75%	0.753	S	S	*	*			trans	77.8	127.8	174.8	-47.5	152.7	0	0	0	112.5
293	S	35.3	Very low	32.1	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	76%	0.764	S	S	*	*			cis	-146	158.6	4.7	35.7	0	0	0	0	114.1
294	Q	34.2	Very low	32.5	Very low	183 Å²	183	130.4 Å²	130.4	86%	0.855	77%	0.766	S	S	*	*			trans	-76.1	-174.4	-175.6	-111.8	-177.8	2.6	0	0	115.5
295	P	36.5	Very low	32.7	Very low	99 Å²	99	131.9 Å²	131.9	64%	0.643	77%	0.769	S	S	*	*			cis	-142	175.2	-7.8	32.2	-10.3	0	0	0	119.4
296	S	36.5	Very low	33.5	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	76%	0.761	S	S	*	*			trans	85.8	157.8	144.2	83.1	0	0	0	0	119.1
297	I	34.4	Very low	33.6	Very low	160 Å²	160	128.9 Å²	128.9	82%	0.821	76%	0.763	S	S	*	*			cis	-136.9	136.3	-0.6	-54	165.3	0	0	0	110.8
298	G	33.3	Very low	33.8	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	77%	0.767	S	S	*	*			trans	72.1	149	148.1	0	0	0	0	0	120.4
299	Q	38	Very low	33.5	Very low	185 Å²	185	126.7 Å²	126.7	86%	0.864	77%	0.765	S	S	*	*			cis	-153.6	139.2	-7.6	-89.9	-175.9	-15.7	0	0	110.8
300	N	32.2	Very low	33.7	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	77%	0.773	S	S	*	*			trans	33.9	160.2	140.2	-72	8	0	0	0	125.2
301	I	32.8	Very low	33.4	Very low	141 Å²	141	128.6 Å²	128.6	72%	0.723	77%	0.772	S	S	*	*			cis	167.8	160.5	-26.9	-115.5	173.2	0	0	0	107
302	P	35.8	Very low	33.3	Very low	102 Å²	102	129.4 Å²	129.4	66%	0.662	78%	0.784	S	S	*	*				-144.3	-162.6	-64.9	40.8	-16.4	0	0	0	114.3
303	L	30.3	Very low	33.2	Very low	166 Å²	166	127.9 Å²	127.9	87%	0.869	78%	0.782	S	S	*	*			trans	63.3	124.3	136.2	-147.4	73.3	0	0	0	123.2
304	G	33.5	Very low	32.9	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	78%	0.782	S	S	*	*			trans	-170.8	115.8	158.2	0	0	0	0	0	110.6
305	N	33.3	Very low	32.7	Very low	149 Å²	149	129 Å²	129	80%	0.797	79%	0.785	S	S	*	*			trans	-116.2	-166.6	-166.2	-150.6	25.5	0	0	0	111.4
306	P	43.3	Very low	32.2	Very low	91 Å²	91	129.1 Å²	129.1	59%	0.591	80%	0.795	S	S	*	*				-120.1	-172.8	-110.4	40.4	-23.5	0	0	0	114.1
307	T	31.1	Very low	31.8	Very low	137 Å²	137	128.9 Å²	128.9	84%	0.84	80%	0.799	S	S	*	*			trans	145.8	130.6	135.7	48.1	0	0	0	0	113.3
308	A	33.2	Very low	31.7	Very low	107 Å²	107	125.4 Å²	125.4	88%	0.884	79%	0.794	S	S	*	*			trans	166	137.5	133.9	0	0	0	0	0	109.7
309	A	25.7	Very low	31.7	Very low	89 Å²	89	127 Å²	127	74%	0.736	79%	0.794	S	S	*	*			trans	-92.7	160.3	179.7	0	0	0	0	0	111.9
310	F	31.7	Very low	31.8	Very low	210 Å²	210	120.6 Å²	120.6	92%	0.921	78%	0.778	S	S	*	*			trans	-163.8	162.7	131.8	-104.8	-68	0	0	0	111.9
311	T	26.5	Very low	32.1	Very low	129 Å²	129	119.8 Å²	119.8	79%	0.791	77%	0.772	S	S	*	*			trans	-90.9	144.3	-163.2	48.4	0	0	0	0	115
312	A	29.5	Very low	32.4	Very low	99 Å²	99	118.7 Å²	118.7	82%	0.818	77%	0.768	S	S	*	*			trans	-175.4	128.7	135.1	0	0	0	0	0	115.5
313	V	29.8	Very low	32.7	Very low	132 Å²	132	118.7 Å²	118.7	80%	0.8	76%	0.762	S	S	*	*			trans	-5.6	134.2	155.1	-170	0	0	0	0	120.1
314	P	29.3	Very low	33.2	Very low	123 Å²	123	115.8 Å²	115.8	80%	0.799	75%	0.747	S	S	*	*			trans	-92.4	128.3	166.2	34.9	-29.7	0	0	0	113
315	Q	29.5	Very low	33.7	Very low	197 Å²	197	114.1 Å²	114.1	92%	0.921	73%	0.726	S	S	*	*			trans	-105.7	106.1	173	-176.8	172	-17.6	0	0	110.4
316	A	27.7	Very low	34.5	Very low	102 Å²	102	110.1 Å²	110.1	84%	0.843	70%	0.704	S	S	*	*			trans	-118	96.5	-178.4	0	0	0	0	0	111.6
317	A	27.6	Very low	34.7	Very low	100 Å²	100	112 Å²	112	83%	0.826	71%	0.705	S	S	*	*			trans	-168.6	93.9	162.8	0	0	0	0	0	110.6
318	A	30.8	Very low	35.4	Very low	88 Å²	88	110.7 Å²	110.7	73%	0.727	69%	0.692	S	S	*	*			trans	-161	-17	172	0	0	0	0	0	115.7
319	S	33.9	Very low	36.1	Very low	103 Å²	103	108.7 Å²	108.7	72%	0.72	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-12.2	-164.8	45.5	0	0	0	0	116.7
320	G	39.7	Very low	37.5	Very low	51 Å²	51	108.1 Å²	108.1	53%	0.526	65%	0.653	S	S	.	*	H	α-helix	trans	-85.7	-3.9	-171	0	0	0	0	0	117.3
321	I	38.3	Very low	38.3	Very low	122 Å²	122	103.5 Å²	103.5	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-87.5	-30.8	-173.3	-60.3	176.9	0	0	0	111.6
322	N	39.7	Very low	39.1	Very low	119 Å²	119	99.2 Å²	99.2	64%	0.636	62%	0.615	S	S	*	*	H	α-helix	trans	-73.2	-37.2	-179.8	-64.6	-12	0	0	0	112.1	L324 A325 I326	N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 2.85Å; N322-A325 PolarHBondContact O-N 3.42Å; N322-I326 WeakPolarHBondContact O-CG1 3.29Å; N322-I326 PolarHBondContact O-N 2.72Å
323	D	42.9	Very low	39.8	Very low	102 Å²	102	102.3 Å²	102.3	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-61.5	-39.2	178.3	-70.4	-51.5	0	0	0	112.6	I326 Q327	D323-I326 PolarHBondContact O-N 2.95Å; D323-Q327 PolarHBondContact O-N 3.31Å; D323-Q327 VanDerWaalsContact O-N 3.12Å
324	L	40.5	Very low	40.6	Very low	104 Å²	104	100.1 Å²	100.1	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-67.6	-39.2	179.4	-133.3	87.7	0	0	0	111.8	N322 I326 Q327 L328	N322-L324 VanDerWaalsContact C-N 3.33Å; N322-L324 PolarHBondContact O-N 2.85Å; L324-I326 VanDerWaalsContact C-N 3.31Å; L324-I326 PolarHBondContact O-N 3.23Å; L324-Q327 PolarHBondContact O-N 3.49Å; L324-L328 HydrophobicContact CD2-CD1 4.1Å; L324-L328 HydrophobicContact CG-CD1 4.31Å; L324-L328 WeakPolarHBondContact O-CB 3.44Å; L324-L328 PolarHBondContact O-N 3.09Å
325	A	44.1	Very low	41.1	Very low	42 Å²	42	97.4 Å²	97.4	35%	0.347	58%	0.577	S	S	.	*	H	α-helix	trans	-63.7	-36.7	177.4	0	0	0	0	0	112	N322 T329	N322-A325 PolarHBondContact O-N 3.42Å; A325-T329 VanDerWaalsContact O-CB 3.3Å; A325-T329 WeakPolarHBondContact O-CB 3.16Å; A325-T329 PolarHBondContact O-N 2.99Å; A325-T329 PolarHBondContact O-OG1 3.15Å
326	I	50	Low	41.4	Very low	65 Å²	65	91.7 Å²	91.7	33%	0.333	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-46.1	175.2	-64.8	165	0	0	0	110.4	N322 D323 L324 T329 L330	N322-I326 WeakPolarHBondContact O-CG1 3.29Å; N322-I326 PolarHBondContact O-N 2.72Å; D323-I326 PolarHBondContact O-N 2.95Å; L324-I326 VanDerWaalsContact C-N 3.31Å; L324-I326 PolarHBondContact O-N 3.23Å; I326-T329 PolarHBondContact O-N 2.8Å; I326-L330 HydrophobicContact CG2-CD1 4.2Å; I326-L330 WeakPolarHBondContact O-CD1 3.16Å; I326-L330 PolarHBondContact O-N 2.77Å; I326-L330 VanDerWaalsContact O-N 3.08Å
327	Q	46.4	Very low	41.8	Very low	131 Å²	131	93.4 Å²	93.4	61%	0.612	57%	0.566	S	S	*	*	H	α-helix	trans	-62.9	-46.1	176.7	-76.1	-173.4	-11.5	0	0	113.1	D323 L324 L330 L331	D323-Q327 PolarHBondContact O-N 3.31Å; D323-Q327 VanDerWaalsContact O-N 3.12Å; L324-Q327 PolarHBondContact O-N 3.49Å; Q327-L330 PolarHBondContact O-N 3.45Å; Q327-L331 PolarHBondContact O-N 3.48Å
328	L	47.3	Very low	42.1	Very low	109 Å²	109	93.4 Å²	93.4	57%	0.571	57%	0.566	S	S	*	*	H	α-helix	trans	-64.8	-38.8	179	-89.4	144.1	0	0	0	112.5	L324 L331 A332	L324-L328 HydrophobicContact CD2-CD1 4.1Å; L324-L328 HydrophobicContact CG-CD1 4.31Å; L324-L328 WeakPolarHBondContact O-CB 3.44Å; L324-L328 PolarHBondContact O-N 3.09Å; L328-L331 PolarHBondContact O-N 2.78Å; L328-A332 PolarHBondContact O-N 3.24Å
329	T	47.5	Very low	42.5	Very low	65 Å²	65	94.5 Å²	94.5	40%	0.399	56%	0.559	S	S	.	*	H	α-helix	trans	-68.8	-38.6	177.8	-54.8	0	0	0	0	111.8	A325 I326 A332 Q333	A325-T329 VanDerWaalsContact O-CB 3.3Å; A325-T329 WeakPolarHBondContact O-CB 3.16Å; A325-T329 PolarHBondContact O-N 2.99Å; A325-T329 PolarHBondContact O-OG1 3.15Å; I326-T329 PolarHBondContact O-N 2.8Å; T329-A332 PolarHBondContact O-N 2.95Å; T329-Q333 PolarHBondContact O-N 3.26Å
330	L	54	Low	43.1	Very low	77 Å²	77	93.7 Å²	93.7	40%	0.403	55%	0.55	S	S	.	.	H	α-helix	trans	-65.8	-35.5	172.8	-103.2	92.9	0	0	0	112.7	I326 Q327 Q334	I326-L330 HydrophobicContact CG2-CD1 4.2Å; I326-L330 WeakPolarHBondContact O-CD1 3.16Å; I326-L330 PolarHBondContact O-N 2.77Å; I326-L330 VanDerWaalsContact O-N 3.08Å; Q327-L330 PolarHBondContact O-N 3.45Å; L330-Q334 VanDerWaalsContact O-CG 3.26Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 2.86Å; L330-Q334 PolarHBondContact O-NE2 3.21Å
331	L	48.5	Very low	43.1	Very low	114 Å²	114	96.8 Å²	96.8	60%	0.597	56%	0.56	S	S	*	*	H	α-helix	trans	-69	-35.1	175.7	-88.3	157	0	0	0	112.4	Q327 L328 Q334 S335	Q327-L331 PolarHBondContact O-N 3.48Å; L328-L331 PolarHBondContact O-N 2.78Å; L331-Q334 PolarHBondContact O-N 2.98Å; L331-S335 PolarHBondContact O-N 3.3Å; L331-S335 PolarHBondContact O-OG 3.28Å
332	A	44.1	Very low	43.4	Very low	38 Å²	38	94.4 Å²	94.4	31%	0.314	56%	0.559	S	S	.	*	H	α-helix	trans	-66.7	-38.8	174.9	0	0	0	0	0	112.7	L328 T329 S335 L339	L328-A332 PolarHBondContact O-N 3.24Å; T329-A332 PolarHBondContact O-N 2.95Å; A332-S335 PolarHBondContact O-OG 3.29Å; A332-L339 HydrophobicContact CB-CD1 4.1Å
333	Q	45.2	Very low	43.6	Very low	164 Å²	164	90.2 Å²	90.2	77%	0.766	54%	0.541	S	S	*	.	H	α-helix	trans	-73.1	-26.8	176.6	-81.8	-173.1	-7.3	0	0	114	T329	T329-Q333 PolarHBondContact O-N 3.26Å
334	Q	44.6	Very low	43.7	Very low	86 Å²	86	87.9 Å²	87.9	40%	0.402	54%	0.536	S	S	.	.	H	α-helix	trans	-84	-16.3	-176.3	-74.7	176.7	88.3	0	0	114.7	L330 L331 L403	L330-Q334 VanDerWaalsContact O-CG 3.26Å; L330-Q334 WeakPolarHBondContact O-CG 3.39Å; L330-Q334 PolarHBondContact O-N 2.86Å; L330-Q334 PolarHBondContact O-NE2 3.21Å; L331-Q334 PolarHBondContact O-N 2.98Å; Q334-L403 HydrophobicContact CG-CD2 3.8Å
335	S	41.4	Very low	44	Very low	66 Å²	66	85.4 Å²	85.4	46%	0.462	53%	0.53	S	S	.	.	S	Bend	trans	-94.7	-12.6	-171.9	47.3	0	0	0	0	114.9	L331 A332 L337	L331-S335 PolarHBondContact O-N 3.3Å; L331-S335 PolarHBondContact O-OG 3.28Å; A332-S335 PolarHBondContact O-OG 3.29Å; S335-L337 PolarHBondContact O-N 3.5Å
336	G	35.2	Very low	44	Very low	78 Å²	78	86.2 Å²	86.2	80%	0.804	54%	0.537	S	S	*	.			trans	62.5	6.6	179.9	0	0	0	0	0	114.9
337	L	35.2	Very low	43.6	Very low	138 Å²	138	86.9 Å²	86.9	72%	0.723	54%	0.544	S	S	*	.			trans	-86.5	121.7	178.9	-71.2	168.8	0	0	0	109	S335 L339	S335-L337 PolarHBondContact O-N 3.5Å; L337-L339 PolarHBondContact O-N 3.36Å; L337-L339 VanDerWaalsContact O-N 3.09Å
338	A	34.7	Very low	43.4	Very low	99 Å²	99	83.6 Å²	83.6	82%	0.818	54%	0.539	S	S	*	.			trans	-61.7	114	173.8	0	0	0	0	0	109.9	T340	A338-T340 PolarHBondContact O-N 2.91Å
339	L	39	Very low	43.2	Very low	112 Å²	112	81.9 Å²	81.9	59%	0.586	54%	0.537	S	S	*	.			trans	-57.4	124.2	168.4	-81.7	162.1	0	0	0	108.7	A332 L337 A343	A332-L339 HydrophobicContact CB-CD1 4.1Å; L337-L339 PolarHBondContact O-N 3.36Å; L337-L339 VanDerWaalsContact O-N 3.09Å; L339-A343 HydrophobicContact CD2-CB 3.72Å
340	T	46	Very low	42.8	Very low	86 Å²	86	86.8 Å²	86.8	53%	0.528	55%	0.553	S	S	.	*			trans	-63.5	150.1	173.7	58.1	0	0	0	0	109.7	A338 A342 A343 A344	A338-T340 PolarHBondContact O-N 2.91Å; T340-A342 PolarHBondContact O-N 3.48Å; T340-A343 PolarHBondContact O-N 3.47Å; T340-A344 PolarHBondContact O-N 2.92Å
341	P	41.5	Very low	42.1	Very low	115 Å²	115	88.7 Å²	88.7	75%	0.747	56%	0.561	S	S	*	*	H	α-helix	trans	-53.5	-29.3	177.7	-29.4	36.2	0	0	0	113.9	A345	P341-A345 WeakPolarHBondContact O-CB 3.18Å; P341-A345 PolarHBondContact O-N 2.86Å
342	A	43.5	Very low	41.8	Very low	72 Å²	72	86.4 Å²	86.4	60%	0.595	56%	0.558	S	S	*	*	H	α-helix	trans	-66.3	-39.1	174.3	0	0	0	0	0	113.5	T340 A345 A346	T340-A342 PolarHBondContact O-N 3.48Å; A342-A345 PolarHBondContact O-N 2.82Å; A342-A346 WeakPolarHBondContact O-CB 3.35Å; A342-A346 PolarHBondContact O-N 3.11Å
343	A	44.5	Very low	41.5	Very low	31 Å²	31	91.6 Å²	91.6	26%	0.256	58%	0.58	S	S	.	*	H	α-helix	trans	-70.4	-40	177.1	0	0	0	0	0	111.4	L339 T340 A346 T347	L339-A343 HydrophobicContact CD2-CB 3.72Å; T340-A343 PolarHBondContact O-N 3.47Å; A343-A346 PolarHBondContact O-N 3.31Å; A343-T347 PolarHBondContact O-N 3.13Å; A343-T347 VanDerWaalsContact O-N 3.16Å; A343-T347 PolarHBondContact O-OG1 2.82Å; A343-T347 VanDerWaalsContact O-OG1 3.09Å
344	A	44.8	Very low	41.4	Very low	54 Å²	54	88.5 Å²	88.5	45%	0.446	57%	0.573	S	S	.	*	H	α-helix	trans	-61.9	-42.7	172.8	0	0	0	0	0	112.1	T340 T347 A348	T340-A344 PolarHBondContact O-N 2.92Å; A344-T347 PolarHBondContact O-N 2.84Å; A344-A348 PolarHBondContact O-N 3.39Å
345	A	46.8	Very low	41.1	Very low	52 Å²	52	88.3 Å²	88.3	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-63	-44.2	176.1	0	0	0	0	0	112.4	P341 A342 T347 A348 S349	P341-A345 WeakPolarHBondContact O-CB 3.18Å; P341-A345 PolarHBondContact O-N 2.86Å; A342-A345 PolarHBondContact O-N 2.82Å; A345-T347 VanDerWaalsContact C-N 3.34Å; A345-T347 PolarHBondContact O-N 3.4Å; A345-A348 PolarHBondContact O-N 3.05Å; A345-S349 PolarHBondContact O-N 3.42Å; A345-S349 PolarHBondContact O-OG 2.94Å
346	A	43.7	Very low	40.8	Very low	59 Å²	59	93.8 Å²	93.8	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-60.5	-41.4	177.8	0	0	0	0	0	112.4	A342 A343 S349 F350	A342-A346 WeakPolarHBondContact O-CB 3.35Å; A342-A346 PolarHBondContact O-N 3.11Å; A343-A346 PolarHBondContact O-N 3.31Å; A346-S349 PolarHBondContact O-N 3.29Å; A346-F350 PolarHBondContact O-N 2.94Å; A346-F350 VanDerWaalsContact O-N 3.13Å
347	T	41.5	Very low	40.6	Very low	79 Å²	79	93.8 Å²	93.8	49%	0.485	60%	0.604	S	S	.	*	H	α-helix	trans	-65.6	-40.6	175.3	-51.8	0	0	0	0	112	A343 A344 A345 F350 M351	A343-T347 PolarHBondContact O-N 3.13Å; A343-T347 VanDerWaalsContact O-N 3.16Å; A343-T347 PolarHBondContact O-OG1 2.82Å; A343-T347 VanDerWaalsContact O-OG1 3.09Å; A344-T347 PolarHBondContact O-N 2.84Å; A345-T347 VanDerWaalsContact C-N 3.34Å; A345-T347 PolarHBondContact O-N 3.4Å; T347-F350 PolarHBondContact O-N 3.04Å; T347-M351 HydrophobicContact CG2-CE 4.01Å; T347-M351 PolarHBondContact O-N 3.49Å
348	A	41.7	Very low	40.4	Very low	61 Å²	61	90.7 Å²	90.7	50%	0.504	61%	0.605	S	S	.	*	H	α-helix	trans	-64.9	-42.3	176.1	0	0	0	0	0	112.6	A344 A345 F350 M351 A352	A344-A348 PolarHBondContact O-N 3.39Å; A345-A348 PolarHBondContact O-N 3.05Å; A348-F350 VanDerWaalsContact C-N 3.33Å; A348-F350 PolarHBondContact O-N 3.44Å; A348-M351 PolarHBondContact O-N 3.47Å; A348-A352 PolarHBondContact O-N 3.06Å
349	S	44.5	Very low	40.3	Very low	74 Å²	74	93.5 Å²	93.5	52%	0.517	61%	0.607	S	S	.	*	H	α-helix	trans	-63.7	-35.5	176.3	-63.8	0	0	0	0	112.9	A345 A346 A352 L353	A345-S349 PolarHBondContact O-N 3.42Å; A345-S349 PolarHBondContact O-OG 2.94Å; A346-S349 PolarHBondContact O-N 3.29Å; S349-A352 PolarHBondContact O-N 2.85Å; S349-L353 PolarHBondContact O-N 3.09Å
350	F	38.4	Very low	40.1	Very low	167 Å²	167	94.1 Å²	94.1	73%	0.732	62%	0.621	S	S	*	*	H	α-helix	trans	-70.2	-36.3	177.8	-131.2	-90.2	0	0	0	112.5	A346 T347 A348	A346-F350 PolarHBondContact O-N 2.94Å; A346-F350 VanDerWaalsContact O-N 3.13Å; T347-F350 PolarHBondContact O-N 3.04Å; A348-F350 VanDerWaalsContact C-N 3.33Å; A348-F350 PolarHBondContact O-N 3.44Å
351	M	39.1	Very low	39.4	Very low	117 Å²	117	94.3 Å²	94.3	58%	0.576	63%	0.631	S	S	*	*	H	α-helix	trans	-68.4	-39.9	173.1	-65.1	-161.5	-151.9	0	0	112.1	T347 A348 L353 T354	T347-M351 HydrophobicContact CG2-CE 4.01Å; T347-M351 PolarHBondContact O-N 3.49Å; A348-M351 PolarHBondContact O-N 3.47Å; M351-L353 VanDerWaalsContact C-N 3.3Å; M351-L353 PolarHBondContact O-N 3.34Å; M351-T354 PolarHBondContact O-N 3.17Å; M351-T354 PolarHBondContact O-OG1 2.81Å
352	A	42.2	Very low	39.1	Very low	66 Å²	66	97.1 Å²	97.1	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-61.6	-34.5	-179.1	0	0	0	0	0	113.5	A348 S349 T354	A348-A352 PolarHBondContact O-N 3.06Å; S349-A352 PolarHBondContact O-N 2.85Å; A352-T354 VanDerWaalsContact C-N 3.3Å; A352-T354 PolarHBondContact O-N 3Å
353	L	37.8	Very low	38.5	Very low	147 Å²	147	100.7 Å²	100.7	77%	0.77	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-16.4	179.2	-80	161.9	0	0	0	114.3	S349 M351	S349-L353 PolarHBondContact O-N 3.09Å; M351-L353 VanDerWaalsContact C-N 3.3Å; M351-L353 PolarHBondContact O-N 3.34Å
354	T	42.4	Very low	38.2	Very low	100 Å²	100	103.6 Å²	103.6	61%	0.613	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	2.7	179.2	60	0	0	0	0	114.2	M351 A352	M351-T354 PolarHBondContact O-N 3.17Å; M351-T354 PolarHBondContact O-OG1 2.81Å; A352-T354 VanDerWaalsContact C-N 3.3Å; A352-T354 PolarHBondContact O-N 3Å
355	A	38.8	Very low	37.7	Very low	82 Å²	82	107.2 Å²	107.2	68%	0.678	68%	0.68	S	S	*	*	S	Bend	trans	-107.7	6.4	-169.4	0	0	0	0	0	115.5
356	Q	36	Very low	37.1	Very low	180 Å²	180	110.8 Å²	110.8	84%	0.841	70%	0.698	S	S	*	*			trans	-119.1	155	177.8	-67.6	-170.5	1.7	0	0	112.5
357	G	31	Very low	36.8	Very low	78 Å²	78	111.3 Å²	111.3	80%	0.804	71%	0.71	S	S	*	*			trans	-59.4	166.4	-174	0	0	0	0	0	114.1
358	G	31.2	Very low	36.6	Very low	73 Å²	73	114.2 Å²	114.2	75%	0.753	73%	0.727	S	S	*	*			cis	92.3	95.1	40	0	0	0	0	0	109
359	N	32.1	Very low	36.1	Very low	159 Å²	159	117.8 Å²	117.8	85%	0.85	74%	0.743	S	S	*	*			trans	54.6	101.1	175	-64.7	-5.9	0	0	0	118
360	S	33.8	Very low	35.6	Very low	125 Å²	125	122.7 Å²	122.7	87%	0.874	76%	0.762	S	S	*	*				179.4	157.4	106.7	-77.5	0	0	0	0	111.6
361	A	32.5	Very low	35.2	Very low	90 Å²	90	122.4 Å²	122.4	74%	0.744	77%	0.768	S	S	*	*			trans	-76.2	156.2	-179	0	0	0	0	0	112.8
362	I	34.1	Very low	35	Very low	173 Å²	173	121.4 Å²	121.4	89%	0.887	78%	0.779	S	S	*	*				175.6	135.6	125.6	-86.6	152.7	0	0	0	109.5
363	N	31.1	Very low	34.6	Very low	147 Å²	147	122.5 Å²	122.5	79%	0.786	79%	0.788	S	S	*	*			trans	-93.9	174.6	173.1	-145.4	16.2	0	0	0	107.9
364	P	38.3	Very low	34.4	Very low	92 Å²	92	120.5 Å²	120.5	60%	0.597	79%	0.786	S	S	*	*			cis	-145.1	171.3	2	41.3	-21	0	0	0	118.3
365	T	35.9	Very low	34.4	Very low	131 Å²	131	122.3 Å²	122.3	80%	0.804	79%	0.792	S	S	*	*			trans	68.9	150.2	144.2	43.4	0	0	0	0	123.5
366	P	34.2	Very low	34.4	Very low	126 Å²	126	127 Å²	127	82%	0.818	80%	0.799	S	S	*	*			trans	-121.2	164.9	-167	42	-27.8	0	0	0	116.1
367	G	36.4	Very low	34.3	Very low	70 Å²	70	121.9 Å²	121.9	72%	0.722	80%	0.795	S	S	*	*			trans	145	118.7	153.8	0	0	0	0	0	115.6
368	T	37.2	Very low	35.1	Very low	140 Å²	140	123.8 Å²	123.8	86%	0.859	79%	0.793	S	S	*	*			trans	-178.8	132	135.9	-74.9	0	0	0	0	109.3
369	V	31	Very low	35.4	Very low	137 Å²	137	131.8 Å²	131.8	83%	0.83	80%	0.8	S	S	*	*			trans	-90.2	142.2	173.1	-81.7	0	0	0	0	110.9
370	L	34.5	Very low	35.6	Very low	176 Å²	176	128.6 Å²	128.6	92%	0.921	80%	0.796	S	S	*	*			trans	-143.4	142.8	157	-90.7	177.9	0	0	0	110.8
371	N	30	Very low	35.9	Very low	161 Å²	161	127.7 Å²	127.7	86%	0.861	80%	0.796	S	S	*	*			trans	-140.2	131	-170.5	178.5	37.5	0	0	0	108.5
372	A	35.2	Very low	36	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	80%	0.802	S	S	*	*			trans	-158.6	124.1	171.2	0	0	0	0	0	112
373	A	33.5	Very low	36.3	Very low	89 Å²	89	127.8 Å²	127.8	74%	0.736	79%	0.791	S	S	*	*			trans	-83.8	160.8	167	0	0	0	0	0	109.9
374	S	33.7	Very low	36.4	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	79%	0.789	S	S	*	*				160.2	-168.9	73.8	52.5	0	0	0	0	109.2
375	L	41.6	Very low	36.4	Very low	138 Å²	138	129.3 Å²	129.3	72%	0.723	80%	0.803	S	S	*	*			trans	87.7	99.9	176.8	-51.7	162.8	0	0	0	113.7
376	Q	39.9	Very low	36.2	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	80%	0.8	S	S	*	*				101.1	120.5	68.4	-88.6	175.9	16.9	0	0	112
377	G	33.3	Very low	36.3	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	80%	0.804	S	S	*	*			trans	-95.5	-149.2	162	0	0	0	0	0	110.7
378	P	47.3	Very low	36	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	80%	0.803	S	S	*	*			cis	-142.6	-163.8	0.2	42.1	-21.8	0	0	0	115.1
379	R	37.2	Very low	35.7	Very low	241 Å²	241	134.6 Å²	134.6	91%	0.909	79%	0.792	S	S	*	*			trans	71.6	157.2	162.3	-71.6	173.3	149.7	174.6	-7.6	118.3
380	A	37.7	Very low	35.9	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	79%	0.788	S	S	*	*			cis	-177.7	145.4	-27.8	0	0	0	0	0	109.6
381	A	38.7	Very low	35.8	Very low	105 Å²	105	134 Å²	134	87%	0.868	78%	0.779	S	S	*	*			trans	173.4	163.3	151.2	0	0	0	0	0	113.6
382	L	34.7	Very low	35.9	Very low	165 Å²	165	134 Å²	134	86%	0.864	78%	0.779	S	S	*	*			trans	-135.7	-171.9	-168.3	-88.5	154.3	0	0	0	108.9
383	P	41.8	Very low	35.6	Very low	101 Å²	101	135 Å²	135	66%	0.656	78%	0.776	S	S	*	*			cis	-139.5	-175.5	-18.9	26.4	-1	0	0	0	116.5
384	T	33.3	Very low	35.3	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	78%	0.783	S	S	*	*			trans	60.8	125.1	143.1	41.6	0	0	0	0	124.2
385	V	37	Very low	35	Very low	149 Å²	149	141.1 Å²	141.1	90%	0.903	79%	0.788	S	S	*	*				-151.1	136	119.9	170.1	0	0	0	0	110
386	Q	32.9	Very low	34.5	Very low	159 Å²	159	142 Å²	142	74%	0.743	79%	0.792	S	S	*	*			trans	-74	155	178.1	-68.7	159.1	-49.4	0	0	115.3
387	N	35.1	Very low	33.8	Very low	167 Å²	167	141 Å²	141	89%	0.893	79%	0.792	S	S	*	*				-152.8	152.3	127.8	-141.7	-8.9	0	0	0	112.4
388	Q	30.3	Very low	33.5	Very low	150 Å²	150	146.8 Å²	146.8	70%	0.701	80%	0.8	S	S	*	*			trans	-102.1	-179.7	-176.6	-50.4	175.5	6.9	0	0	110.2
389	T	31.4	Very low	32.7	Very low	103 Å²	103	146 Å²	146	63%	0.632	80%	0.797	S	S	*	*			cis	-167.4	163.6	20.1	-15.9	0	0	0	0	111.5
390	Q	34.3	Very low	32.3	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.734	79%	0.791	S	S	*	*			trans	84.1	105.7	144.3	-75.2	178	42.6	0	0	124.6
391	L	34.1	Very low	31.8	Very low	142 Å²	142	141.5 Å²	141.5	74%	0.743	79%	0.792	S	S	*	*				98.9	140.1	119.7	-67.4	171.4	0	0	0	123.1
392	L	30.7	Very low	31.3	Very low	163 Å²	163	143 Å²	143	85%	0.853	79%	0.785	S	S	*	*			trans	81.2	100.9	163.5	-65.2	142.6	0	0	0	119
393	P	29.5	Very low	31.1	Very low	116 Å²	116	141.2 Å²	141.2	75%	0.753	78%	0.776	S	S	*	*			trans	-98.1	124.7	164.6	34.8	-26.5	0	0	0	111.9
394	N	26.8	Very low	30.6	Very low	164 Å²	164	140 Å²	140	88%	0.877	78%	0.782	S	S	*	*			trans	179.6	160.5	144.8	-100.3	-24.1	0	0	0	112.3
395	L	27.7	Very low	30.7	Very low	160 Å²	160	141.9 Å²	141.9	84%	0.838	78%	0.782	S	S	*	*			trans	66.4	86	167.9	-116.1	71.4	0	0	0	117.1
396	I	31.9	Very low	30.7	Very low	156 Å²	156	140.8 Å²	140.8	80%	0.8	78%	0.776	S	S	*	*				-175.1	92.8	119.5	-86.9	148.8	0	0	0	106.2
397	N	24.5	Very low	31.5	Very low	160 Å²	160	135.9 Å²	135.9	86%	0.856	77%	0.768	S	S	*	*			trans	-125.2	68.4	174.9	-169.4	18.8	0	0	0	108.3
398	Q	27.6	Very low	32.8	Very low	192 Å²	192	131.6 Å²	131.6	90%	0.897	76%	0.756	S	S	*	*			trans	-168.6	57.8	-176.5	-121.3	171	74.9	0	0	114.1
399	S	29.1	Very low	35.2	Very low	102 Å²	102	125 Å²	125	71%	0.713	73%	0.726	S	S	*	*	S	Bend	trans	-156.5	9.2	172.7	58.2	0	0	0	0	117.4
400	V	29.9	Very low	38	Very low	127 Å²	127	121.2 Å²	121.2	77%	0.77	70%	0.703	S	S	*	*			trans	-134.6	49.7	-173.9	-151.7	0	0	0	0	113.5
401	S	26.3	Very low	40.9	Very low	113 Å²	113	113.8 Å²	113.8	79%	0.79	67%	0.668	S	S	*	*			trans	-144.7	86.9	172.9	-53.9	0	0	0	0	110.2
402	N	29.1	Very low	43.8	Very low	136 Å²	136	107 Å²	107	73%	0.727	63%	0.633	S	S	*	*			trans	170.8	79.6	157.2	-91.4	-10.7	0	0	0	110.7
403	L	30.8	Very low	46.9	Very low	127 Å²	127	102 Å²	102	67%	0.665	61%	0.606	S	S	*	*			trans	-118.2	27.8	164.2	-82	95.2	0	0	0	112	Q334	Q334-L403 HydrophobicContact CG-CD2 3.8Å
404	G	29.5	Very low	50.1	Low	77 Å²	77	96.4 Å²	96.4	79%	0.794	57%	0.57	S	S	*	*			trans	-98.5	14.8	178.8	0	0	0	0	0	115.4
405	Q	36.3	Very low	53.4	Low	159 Å²	159	90.3 Å²	90.3	74%	0.743	54%	0.541	S	S	*	.			trans	-139.4	77.3	-173.8	-70.6	-176.9	-4.5	0	0	112.3	G407	Q405-G407 PolarHBondContact O-N 2.88Å
406	T	37.1	Very low	56.6	Low	127 Å²	127	85.1 Å²	85.1	78%	0.779	51%	0.514	S	S	*	.			trans	-87.2	58.3	164.3	53.5	0	0	0	0	110.8
407	G	48.9	Very low	59.6	Low	56 Å²	56	77.8 Å²	77.8	58%	0.577	48%	0.476	S	S	*	.			trans	-73	139.9	164.4	0	0	0	0	0	109.8	Q405 S409	Q405-G407 PolarHBondContact O-N 2.88Å; G407-S409 VanDerWaalsContact C-N 3.29Å; G407-S409 PolarHBondContact O-N 2.83Å
408	A	63.8	Low	62.8	Low	77 Å²	77	71.6 Å²	71.6	64%	0.636	44%	0.443	S	S	*	.			trans	-70.7	74.6	-172.5	0	0	0	0	0	113.1	P457	A408-P457 HydrophobicContact CB-CB 3.83Å; A408-P457 HydrophobicContact CB-CG 3.94Å; A408-P457 WeakPolarHBondContact O-CB 3.4Å
409	S	80	Confident	65.8	Low	10 Å²	10	67 Å²	67	7%	0.07	42%	0.422	C	S	.	.			trans	-72.6	136.3	175.9	-172.9	0	0	0	0	111.5	G407 V411 N485	G407-S409 VanDerWaalsContact C-N 3.29Å; G407-S409 PolarHBondContact O-N 2.83Å; S409-V411 VanDerWaalsContact C-N 3.32Å; S409-V411 PolarHBondContact OG-N 3.47Å; S409-V411 PolarHBondContact OG-O 2.98Å; S409-N485 WeakPolarHBondContact CB-OD1 3.36Å; S409-N485 PolarHBondContact OG-OD1 2.64Å
410	T	91	Very high	68.7	Low	25 Å²	25	70.9 Å²	70.9	15%	0.153	43%	0.428	C	S	.	.	S	Bend	trans	-84.3	-5.3	172.5	52.7	0	0	0	0	113.1	F454 P457	T410-F454 PolarHBondContact O-N 3.42Å; T410-P457 HydrophobicContact CG2-CB 4.23Å
411	V	94.3	Very high	71.5	Confident	0 Å²	0	70 Å²	70	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	-174.5	-175.1	0	0	0	0	110.7	S409 L451 V452 Q453 S482 F484 N485 V487	S409-V411 VanDerWaalsContact C-N 3.32Å; S409-V411 PolarHBondContact OG-N 3.47Å; S409-V411 PolarHBondContact OG-O 2.98Å; V411-L451 HydrophobicContact CG1-CB 4.13Å; V411-L451 HydrophobicContact CG1-CD2 4.4Å; V411-V452 CarbonylContact C-O 3.58Å; V411-V452 WeakPolarHBondContact CA-O 3.13Å; V411-Q453 HydrophobicContact CG2-CB 3.92Å; V411-Q453 HydrophobicContact CG2-CG 3.73Å; V411-S482 WeakPolarHBondContact O-CB 3.21Å; V411-S482 PolarHBondContact O-N 2.99Å; V411-F484 WeakPolarHBondContact CB-O 3.38Å; V411-F484 WeakPolarHBondContact CG2-O 3.18Å; V411-N485 WeakPolarHBondContact CG2-O 3.49Å; V411-V487 HydrophobicContact CG1-CG2 4.1Å
412	L	96	Very high	74.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.9	169.7	-55.7	178.8	0	0	0	109.8	F431 L451 V452 F454 A460 A463 L464 I479 A480	L412-F431 HydrophobicContact CD1-CD1 4.27Å; L412-F431 HydrophobicContact CD1-CE1 3.97Å; L412-L451 WeakPolarHBondContact O-CA 3.12Å; L412-V452 PolarHBondContact N-O 3.01Å; L412-V452 PolarHBondContact O-N 2.62Å; L412-F454 HydrophobicContact CD1-CE2 3.84Å; L412-F454 HydrophobicContact CG-CE2 4.37Å; L412-A460 WeakPolarHBondContact CD1-O 3.2Å; L412-A460 HydrophobicContact CD2-CB 4.16Å; L412-A460 HydrophobicContact CG-CB 4.23Å; L412-A463 HydrophobicContact CD1-CB 4.08Å; L412-L464 HydrophobicContact CD1-CB 4.28Å; L412-L464 HydrophobicContact CD2-CB 4.12Å; L412-I479 HydrophobicContact CB-CG2 3.93Å; L412-I479 HydrophobicContact CD1-CG2 3.9Å; L412-I479 HydrophobicContact CG-CG2 4.34Å; L412-A480 CarbonylContact C-O 3.6Å; L412-A480 WeakPolarHBondContact CA-O 3.46Å
413	I	95.8	Very high	77.6	Confident	56 Å²	56	64 Å²	64	29%	0.287	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.3	162.7	-174.3	167.2	0	0	0	108.3	T449 A450 L451 I479 A480	I413-T449 HydrophobicContact CD1-CG2 3.88Å; I413-T449 HydrophobicContact CG1-CG2 3.85Å; I413-A450 WeakPolarHBondContact CA-O 3.35Å; I413-L451 HydrophobicContact CB-CD2 3.83Å; I413-L451 HydrophobicContact CD1-CD2 4.26Å; I413-L451 HydrophobicContact CG1-CD2 3.93Å; I413-I479 WeakPolarHBondContact O-CA 3.36Å; I413-A480 HydrophobicContact CG2-CB 3.94Å; I413-A480 PolarHBondContact N-O 3.08Å; I413-A480 PolarHBondContact O-N 3.08Å
414	V	96.6	Very high	80.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.4	179.4	-172.8	0	0	0	0	107.2	L417 F431 T449 A450 V452 L477 I479	V414-L417 HydrophobicContact CG1-CD1 4.39Å; V414-L417 HydrophobicContact CG1-CD2 3.65Å; V414-L417 HydrophobicContact CG1-CG 4.16Å; V414-F431 HydrophobicContact CB-CZ 4.45Å; V414-F431 HydrophobicContact CG1-CZ 4.17Å; V414-F431 HydrophobicContact CG2-CE1 3.89Å; V414-F431 HydrophobicContact CG2-CE2 4.15Å; V414-F431 HydrophobicContact CG2-CZ 3.4Å; V414-F431 VanDerWaalsContact CG2-CZ 3.4Å; V414-T449 CarbonylContact O-C 3.59Å; V414-T449 VanDerWaalsContact O-CA 3.27Å; V414-T449 WeakPolarHBondContact O-CA 3.49Å; V414-A450 PolarHBondContact N-O 2.82Å; V414-A450 PolarHBondContact O-N 3.14Å; V414-V452 HydrophobicContact CG2-CG2 3.86Å; V414-L477 HydrophobicContact CG1-CD2 4.05Å; V414-I479 HydrophobicContact CG1-CG1 4.26Å; V414-I479 HydrophobicContact CG2-CG1 4.49Å; V414-I479 HydrophobicContact CG2-CG2 4.38Å
415	S	95.9	Very high	83.6	Confident	36 Å²	36	57.2 Å²	57.2	25%	0.252	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	168.9	-177.9	64.6	0	0	0	0	111.5	L417 S448 K478	S415-L417 VanDerWaalsContact C-N 3.32Å; S415-S448 CarbonylContact C-O 3.6Å; S415-S448 WeakPolarHBondContact CA-O 3.39Å; S415-K478 PolarHBondContact N-O 2.8Å; S415-K478 PolarHBondContact O-N 3.23Å; S415-K478 VanDerWaalsContact OG-CB 3.25Å; S415-K478 WeakPolarHBondContact OG-CB 3.31Å; S415-K478 PolarHBondContact OG-O 3.36Å
416	N	94.9	Very high	86.3	Confident	51 Å²	51	49.8 Å²	49.8	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	68.6	23.8	-171.1	-161.1	37.9	0	0	0	114.7	S448 K475 P476 K478	N416-S448 PolarHBondContact N-O 3.3Å; N416-K475 WeakPolarHBondContact O-CB 3.41Å; N416-K475 WeakPolarHBondContact O-CE 3.45Å; N416-K475 WeakPolarHBondContact OD1-CE 3.37Å; N416-P476 PolarHBondContact ND2-O 3.22Å; N416-K478 HydrophobicContact CB-CB 4.48Å; N416-K478 HydrophobicContact CB-CD 4.45Å; N416-K478 HydrophobicContact CB-CG 4.34Å
417	L	95.1	Very high	89.2	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.241	C	C	.	.			trans	-63.9	158.3	176.3	-59.3	174.3	0	0	0	112.2	V414 S415 V422 L427 S448 A450 L472 K475 L477	V414-L417 HydrophobicContact CG1-CD1 4.39Å; V414-L417 HydrophobicContact CG1-CD2 3.65Å; V414-L417 HydrophobicContact CG1-CG 4.16Å; S415-L417 VanDerWaalsContact C-N 3.32Å; L417-V422 HydrophobicContact CB-CB 4.37Å; L417-V422 HydrophobicContact CB-CG2 4.31Å; L417-V422 HydrophobicContact CD1-CG1 4.13Å; L417-V422 HydrophobicContact CD2-CG1 4.18Å; L417-V422 HydrophobicContact CD2-CG2 4.39Å; L417-L427 HydrophobicContact CD1-CD1 4.13Å; L417-L427 HydrophobicContact CD1-CD2 4.5Å; L417-L427 HydrophobicContact CD2-CD2 4.15Å; L417-S448 PolarHBondContact N-O 2.77Å; L417-A450 HydrophobicContact CD1-CB 3.66Å; L417-L472 HydrophobicContact CD2-CD2 4.34Å; L417-K475 PolarHBondContact O-NZ 3.24Å; L417-L477 HydrophobicContact CD2-CD2 3.48Å; L417-L477 VanDerWaalsContact CD2-CD2 3.48Å
418	N	91.8	Very high	91.4	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	22%	0.215	C	C	.	.			trans	-83.6	117.2	167.1	-176.6	-39.5	0	0	0	108.7	E420 K421 V422 Y473 K475	N418-E420 VanDerWaalsContact C-N 3.27Å; N418-E420 PolarHBondContact O-N 2.72Å; N418-E420 PolarHBondContact OD1-N 3.31Å; N418-E420 VanDerWaalsContact OD1-N 3.14Å; N418-K421 HydrophobicContact CB-CB 4.45Å; N418-K421 PolarHBondContact OD1-N 2.91Å; N418-V422 HydrophobicContact CB-CG2 4.27Å; N418-V422 VanDerWaalsContact O-CB 3.31Å; N418-V422 WeakPolarHBondContact O-CB 3.22Å; N418-V422 WeakPolarHBondContact O-CG2 3.29Å; N418-V422 PolarHBondContact O-N 3.49Å; N418-Y473 HydrophobicContact CB-CD2 4.36Å; N418-K475 HydrophobicContact CB-CD 4.2Å
419	E	90.2	Very high	92.9	Very high	96 Å²	96	38.6 Å²	38.6	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.1	-168.7	-49.8	-156	162.3	0	0	114.2	K447 S448	E419-K447 HydrophobicContact CB-CB 3.85Å; E419-K447 HydrophobicContact CG-CB 4Å; E419-S448 VanDerWaalsContact CD-N 3.29Å; E419-S448 WeakPolarHBondContact OE1-CA 3.36Å; E419-S448 WeakPolarHBondContact OE1-CB 3.28Å; E419-S448 PolarHBondContact OE1-N 2.94Å; E419-S448 PolarHBondContact OE1-OG 2.76Å
420	E	88.5	Confident	93.7	Very high	183 Å²	183	38.1 Å²	38.1	86%	0.855	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-31.4	-178.9	-61.5	175.8	170.6	0	0	112.1	N418	N418-E420 VanDerWaalsContact C-N 3.27Å; N418-E420 PolarHBondContact O-N 2.72Å; N418-E420 PolarHBondContact OD1-N 3.31Å; N418-E420 VanDerWaalsContact OD1-N 3.14Å
421	K	89.6	Confident	93.9	Very high	108 Å²	108	36.9 Å²	36.9	47%	0.47	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-20.7	-173.8	-61.7	-169.8	176.7	-171.9	0	114.7	N418 Y423 Y473	N418-K421 HydrophobicContact CB-CB 4.45Å; N418-K421 PolarHBondContact OD1-N 2.91Å; K421-Y423 WeakPolarHBondContact O-CD1 3.47Å; K421-Y473 HydrophobicContact CB-CD1 4.11Å; K421-Y473 HydrophobicContact CB-CD2 3.59Å; K421-Y473 HydrophobicContact CB-CE1 4.17Å; K421-Y473 HydrophobicContact CB-CE2 3.67Å; K421-Y473 HydrophobicContact CB-CG 3.84Å; K421-Y473 HydrophobicContact CD-CD1 3.52Å; K421-Y473 HydrophobicContact CD-CD2 4.41Å; K421-Y473 HydrophobicContact CD-CE1 3.99Å; K421-Y473 HydrophobicContact CD-CG 3.78Å; K421-Y473 HydrophobicContact CG-CD1 4.47Å; K421-Y473 HydrophobicContact CG-CG 4.45Å
422	V	91.9	Very high	93.9	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.079	18%	0.183	C	C	.	.			trans	-97.4	116.7	-178.6	-176.3	0	0	0	0	111	L417 N418 L427 I442 L472 Y473	L417-V422 HydrophobicContact CB-CB 4.37Å; L417-V422 HydrophobicContact CB-CG2 4.31Å; L417-V422 HydrophobicContact CD1-CG1 4.13Å; L417-V422 HydrophobicContact CD2-CG1 4.18Å; L417-V422 HydrophobicContact CD2-CG2 4.39Å; N418-V422 HydrophobicContact CB-CG2 4.27Å; N418-V422 VanDerWaalsContact O-CB 3.31Å; N418-V422 WeakPolarHBondContact O-CB 3.22Å; N418-V422 WeakPolarHBondContact O-CG2 3.29Å; N418-V422 PolarHBondContact O-N 3.49Å; V422-L427 HydrophobicContact CG1-CD1 4.02Å; V422-L427 HydrophobicContact CG1-CD2 3.82Å; V422-L427 HydrophobicContact CG1-CG 3.67Å; V422-I442 WeakPolarHBondContact O-CD1 3.5Å; V422-L472 HydrophobicContact CG2-CD2 3.78Å; V422-L472 HydrophobicContact CG2-CG 4.3Å; V422-Y473 HydrophobicContact CG2-CD2 3.81Å; V422-Y473 HydrophobicContact CG2-CE2 3.93Å
423	Y	92	Very high	93.8	Very high	111 Å²	111	37.6 Å²	37.6	44%	0.435	19%	0.185	S	C	.	.			trans	-121	166	175.6	55.6	-77	0	0	0	110.3	K421 D425 A426 L427	K421-Y423 WeakPolarHBondContact O-CD1 3.47Å; Y423-D425 VanDerWaalsContact C-N 3.28Å; Y423-D425 HydrophobicContact CD2-CB 3.83Å; Y423-D425 HydrophobicContact CE2-CB 3.69Å; Y423-D425 PolarHBondContact O-N 3.35Å; Y423-A426 HydrophobicContact CD1-CB 4.06Å; Y423-A426 HydrophobicContact CE1-CB 3.89Å; Y423-A426 HydrophobicContact CE2-CB 4.46Å; Y423-A426 HydrophobicContact CG-CB 4.37Å; Y423-A426 WeakPolarHBondContact O-CB 3.48Å; Y423-A426 PolarHBondContact O-N 3.49Å; Y423-A426 VanDerWaalsContact O-N 3.08Å; Y423-L427 PolarHBondContact O-N 2.91Å
424	P	93.1	Very high	93.7	Very high	7 Å²	7	35 Å²	35	5%	0.045	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-35.2	-171.2	-29.3	38.4	0	0	0	114.6	L427 F428 V440 I442 G497 K500 Y502	P424-L427 PolarHBondContact O-N 2.98Å; P424-F428 WeakPolarHBondContact O-CB 3.29Å; P424-F428 PolarHBondContact O-N 3.26Å; P424-V440 HydrophobicContact CB-CB 4.13Å; P424-V440 HydrophobicContact CB-CG1 3.97Å; P424-I442 HydrophobicContact CG-CD1 4.07Å; P424-I442 HydrophobicContact CG-CG1 4.3Å; P424-G497 VanDerWaalsContact CG-O 3.31Å; P424-G497 WeakPolarHBondContact CG-O 3.38Å; P424-K500 HydrophobicContact CB-CB 4.15Å; P424-Y502 PolarHBondContact O-OH 3.46Å
425	D	91.9	Very high	93.5	Very high	54 Å²	54	35 Å²	35	29%	0.289	17%	0.171	S	C	.	.	H	α-helix	trans	-68.9	-33.1	178.6	-66.9	-44.4	0	0	0	112.5	Y423 F428 T429 K500 Y502	Y423-D425 VanDerWaalsContact C-N 3.28Å; Y423-D425 HydrophobicContact CD2-CB 3.83Å; Y423-D425 HydrophobicContact CE2-CB 3.69Å; Y423-D425 PolarHBondContact O-N 3.35Å; D425-F428 PolarHBondContact O-N 3.29Å; D425-T429 WeakPolarHBondContact O-CB 3.21Å; D425-T429 PolarHBondContact O-N 2.9Å; D425-T429 PolarHBondContact O-OG1 3.33Å; D425-K500 VanDerWaalsContact OD1-CE 3.31Å; D425-K500 WeakPolarHBondContact OD1-CE 3.38Å; D425-K500 IonicContact OD1-NZ 3.67Å; D425-K500 PolarHBondContact OD1-NZ 2.8Å; D425-K500 IonicContact OD2-NZ 3.66Å; D425-K500 PolarHBondContact OD2-NZ 3.01Å; D425-Y502 VanDerWaalsContact CA-OH 3.32Å; D425-Y502 WeakPolarHBondContact CA-OH 3.45Å; D425-Y502 PolarHBondContact N-OH 2.95Å; D425-Y502 VanDerWaalsContact N-OH 3.14Å; D425-Y502 WeakPolarHBondContact OD1-CE1 3.2Å; D425-Y502 VanDerWaalsContact OD1-CZ 3.31Å; D425-Y502 PolarHBondContact OD1-OH 2.96Å
426	A	94.5	Very high	93.4	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-42.9	174.3	0	0	0	0	0	111.6	Y423 T429 L430 I581	Y423-A426 HydrophobicContact CD1-CB 4.06Å; Y423-A426 HydrophobicContact CE1-CB 3.89Å; Y423-A426 HydrophobicContact CE2-CB 4.46Å; Y423-A426 HydrophobicContact CG-CB 4.37Å; Y423-A426 WeakPolarHBondContact O-CB 3.48Å; Y423-A426 PolarHBondContact O-N 3.49Å; Y423-A426 VanDerWaalsContact O-N 3.08Å; A426-T429 PolarHBondContact O-N 3.33Å; A426-L430 WeakPolarHBondContact O-CB 3.14Å; A426-L430 PolarHBondContact O-N 3.28Å; A426-I581 HydrophobicContact CB-CD1 4.45Å; A426-I581 HydrophobicContact CB-CG2 3.69Å
427	L	96.4	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-42.7	173.9	-66.8	174.6	0	0	0	111.5	L417 V422 Y423 P424 T429 L430 F431 V440 I442 A450 V452	L417-L427 HydrophobicContact CD1-CD1 4.13Å; L417-L427 HydrophobicContact CD1-CD2 4.5Å; L417-L427 HydrophobicContact CD2-CD2 4.15Å; V422-L427 HydrophobicContact CG1-CD1 4.02Å; V422-L427 HydrophobicContact CG1-CD2 3.82Å; V422-L427 HydrophobicContact CG1-CG 3.67Å; Y423-L427 PolarHBondContact O-N 2.91Å; P424-L427 PolarHBondContact O-N 2.98Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 3.05Å; L427-L430 PolarHBondContact O-N 3.43Å; L427-F431 HydrophobicContact CB-CD2 4.48Å; L427-F431 HydrophobicContact CD2-CD2 4.3Å; L427-F431 HydrophobicContact CD2-CE2 3.85Å; L427-F431 VanDerWaalsContact O-CB 3.32Å; L427-F431 WeakPolarHBondContact O-CB 3.19Å; L427-F431 VanDerWaalsContact O-CD2 3.29Å; L427-F431 WeakPolarHBondContact O-CD2 3.24Å; L427-F431 PolarHBondContact O-N 2.8Å; L427-V440 HydrophobicContact CB-CG1 3.95Å; L427-V440 HydrophobicContact CB-CG2 4.37Å; L427-V440 HydrophobicContact CD1-CG1 3.72Å; L427-V440 HydrophobicContact CG-CG1 4.47Å; L427-I442 HydrophobicContact CD1-CD1 4.47Å; L427-I442 HydrophobicContact CD1-CG1 4.24Å; L427-A450 HydrophobicContact CD1-CB 3.58Å; L427-V452 HydrophobicContact CB-CG2 4.43Å; L427-V452 HydrophobicContact CD1-CG2 4.47Å
428	F	96.3	Very high	93.4	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-47.1	174.7	168.9	-96.1	0	0	0	111.8	P424 D425 G432 V437 V440 Y502 S505 L507 H508	P424-F428 WeakPolarHBondContact O-CB 3.29Å; P424-F428 PolarHBondContact O-N 3.26Å; D425-F428 PolarHBondContact O-N 3.29Å; F428-G432 WeakPolarHBondContact O-CA 3.46Å; F428-G432 PolarHBondContact O-N 3.27Å; F428-V437 HydrophobicContact CD2-CB 3.89Å; F428-V437 HydrophobicContact CD2-CG1 4.1Å; F428-V437 HydrophobicContact CE2-CB 4.3Å; F428-V440 HydrophobicContact CB-CG2 4.35Å; F428-Y502 HydrophobicContact CB-CD1 4.2Å; F428-Y502 HydrophobicContact CB-CD2 4.23Å; F428-Y502 HydrophobicContact CB-CE1 3.77Å; F428-Y502 HydrophobicContact CB-CE2 3.82Å; F428-Y502 HydrophobicContact CB-CG 4.39Å; F428-Y502 HydrophobicContact CD1-CD1 4.04Å; F428-Y502 AromaticContact CD1-CE1 3.97Å; F428-Y502 HydrophobicContact CD1-CE1 3.97Å; F428-Y502 AromaticContact CD2-CD1 3.39Å; F428-Y502 HydrophobicContact CD2-CD1 3.39Å; F428-Y502 AromaticContact CD2-CD2 3.72Å; F428-Y502 HydrophobicContact CD2-CD2 3.72Å; F428-Y502 AromaticContact CD2-CE1 3.88Å; F428-Y502 HydrophobicContact CD2-CE1 3.88Å; F428-Y502 HydrophobicContact CD2-CE2 4.18Å; F428-Y502 AromaticContact CD2-CG 3.29Å; F428-Y502 HydrophobicContact CD2-CG 3.29Å; F428-Y502 HydrophobicContact CE1-CD1 4.34Å; F428-Y502 AromaticContact CE2-CD1 3.74Å; F428-Y502 HydrophobicContact CE2-CD1 3.74Å; F428-Y502 AromaticContact CE2-CG 3.71Å; F428-Y502 HydrophobicContact CE2-CG 3.71Å; F428-Y502 AromaticContact CG-CD1 3.57Å; F428-Y502 HydrophobicContact CG-CD1 3.57Å; F428-Y502 HydrophobicContact CG-CD2 4.19Å; F428-Y502 AromaticContact CG-CE1 3.56Å; F428-Y502 HydrophobicContact CG-CE1 3.56Å; F428-Y502 HydrophobicContact CG-CE2 4.2Å; F428-Y502 AromaticContact CG-CG 3.88Å; F428-Y502 HydrophobicContact CG-CG 3.88Å; F428-Y502 AromaticContact CG-CZ 3.88Å; F428-Y502 HydrophobicContact CZ-CD1 4.21Å; F428-S505 WeakPolarHBondContact CZ-OG 3.45Å; F428-L507 HydrophobicContact CE1-CB 3.79Å; F428-L507 HydrophobicContact CE1-CD1 3.97Å; F428-L507 HydrophobicContact CE1-CG 4.49Å; F428-L507 HydrophobicContact CZ-CB 3.93Å; F428-H508 AromaticContact CE2-CE1 3.72Å
429	T	94.6	Very high	93.5	Very high	18 Å²	18	33.1 Å²	33.1	11%	0.11	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-45.8	179.9	-67.6	0	0	0	0	112.4	D425 A426 L427 G432 L580 H584	D425-T429 WeakPolarHBondContact O-CB 3.21Å; D425-T429 PolarHBondContact O-N 2.9Å; D425-T429 PolarHBondContact O-OG1 3.33Å; A426-T429 PolarHBondContact O-N 3.33Å; L427-T429 VanDerWaalsContact C-N 3.35Å; L427-T429 PolarHBondContact O-N 3.05Å; T429-G432 PolarHBondContact O-N 2.92Å; T429-L580 HydrophobicContact CG2-CD2 4.09Å; T429-H584 HydrophobicContact CG2-CB 3.76Å
430	L	96.4	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.5	-49.6	-178.4	178.5	58.1	0	0	0	112.5	A426 L427 G432 V433 L467 L472 L477 I577 I581 F598	A426-L430 WeakPolarHBondContact O-CB 3.14Å; A426-L430 PolarHBondContact O-N 3.28Å; L427-L430 PolarHBondContact O-N 3.43Å; L430-G432 VanDerWaalsContact C-N 3.27Å; L430-G432 PolarHBondContact O-N 3.37Å; L430-V433 PolarHBondContact O-N 3.23Å; L430-L467 HydrophobicContact CD1-CD2 3.84Å; L430-L467 HydrophobicContact CD2-CD2 4.32Å; L430-L467 HydrophobicContact CG-CD1 4.07Å; L430-L467 HydrophobicContact CG-CD2 4.06Å; L430-L472 HydrophobicContact CD2-CD2 4.3Å; L430-L477 HydrophobicContact CD2-CD1 4.17Å; L430-I577 HydrophobicContact CD1-CG2 3.96Å; L430-I577 HydrophobicContact CD2-CG2 3.99Å; L430-I581 HydrophobicContact CB-CD1 4.2Å; L430-I581 HydrophobicContact CB-CG1 4.15Å; L430-I581 HydrophobicContact CD2-CD1 4.41Å; L430-F598 HydrophobicContact CD1-CE2 4.42Å; L430-F598 HydrophobicContact CD1-CZ 4.23Å
431	F	96.6	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-71.7	-27	178.3	-75.2	-104.7	0	0	0	111.2	L412 V414 L427 V433 Y434 G435 V437 V452 F454 A463 L467 I479	L412-F431 HydrophobicContact CD1-CD1 4.27Å; L412-F431 HydrophobicContact CD1-CE1 3.97Å; V414-F431 HydrophobicContact CB-CZ 4.45Å; V414-F431 HydrophobicContact CG1-CZ 4.17Å; V414-F431 HydrophobicContact CG2-CE1 3.89Å; V414-F431 HydrophobicContact CG2-CE2 4.15Å; V414-F431 HydrophobicContact CG2-CZ 3.4Å; V414-F431 VanDerWaalsContact CG2-CZ 3.4Å; L427-F431 HydrophobicContact CB-CD2 4.48Å; L427-F431 HydrophobicContact CD2-CD2 4.3Å; L427-F431 HydrophobicContact CD2-CE2 3.85Å; L427-F431 VanDerWaalsContact O-CB 3.32Å; L427-F431 WeakPolarHBondContact O-CB 3.19Å; L427-F431 VanDerWaalsContact O-CD2 3.29Å; L427-F431 WeakPolarHBondContact O-CD2 3.24Å; L427-F431 PolarHBondContact O-N 2.8Å; F431-V433 PolarHBondContact O-N 3.1Å; F431-V433 VanDerWaalsContact O-N 3.13Å; F431-Y434 PolarHBondContact O-N 2.97Å; F431-G435 PolarHBondContact O-N 3.08Å; F431-V437 HydrophobicContact CB-CG2 3.67Å; F431-V452 HydrophobicContact CB-CG1 4.04Å; F431-V452 HydrophobicContact CD1-CB 4.44Å; F431-V452 HydrophobicContact CD1-CG1 4Å; F431-V452 HydrophobicContact CD2-CG2 4.47Å; F431-V452 HydrophobicContact CG-CG1 3.98Å; F431-F454 HydrophobicContact CB-CE2 4.5Å; F431-F454 HydrophobicContact CB-CZ 3.82Å; F431-F454 AromaticContact CD1-CE2 3.97Å; F431-F454 HydrophobicContact CD1-CE2 3.97Å; F431-F454 AromaticContact CD1-CZ 3.87Å; F431-F454 HydrophobicContact CD1-CZ 3.87Å; F431-F454 HydrophobicContact CG-CZ 4.36Å; F431-A463 HydrophobicContact CD1-CB 4.03Å; F431-L467 HydrophobicContact CD1-CD1 3.87Å; F431-L467 HydrophobicContact CD2-CD1 4.01Å; F431-L467 HydrophobicContact CE1-CD1 3.85Å; F431-L467 HydrophobicContact CE2-CD1 3.99Å; F431-L467 HydrophobicContact CG-CD1 3.95Å; F431-L467 HydrophobicContact CZ-CD1 3.91Å; F431-I479 HydrophobicContact CE1-CD1 3.92Å; F431-I479 HydrophobicContact CZ-CD1 3.69Å; F431-I479 HydrophobicContact CZ-CG1 4.46Å
432	G	94.5	Very high	94.1	Very high	7 Å²	7	17.1 Å²	17.1	7%	0.072	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.5	173.4	0	0	0	0	0	115.5	F428 T429 L430 Y434 G435 R509	F428-G432 WeakPolarHBondContact O-CA 3.46Å; F428-G432 PolarHBondContact O-N 3.27Å; T429-G432 PolarHBondContact O-N 2.92Å; L430-G432 VanDerWaalsContact C-N 3.27Å; L430-G432 PolarHBondContact O-N 3.37Å; G432-Y434 VanDerWaalsContact C-N 3.28Å; G432-G435 VanDerWaalsContact CA-O 3.29Å; G432-G435 WeakPolarHBondContact CA-O 3.46Å; G432-R509 VanDerWaalsContact O-CD 3.31Å; G432-R509 WeakPolarHBondContact O-CD 3.44Å
433	V	93.7	Very high	93.9	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.055	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.1	172.2	-177.3	0	0	0	0	111.8	L430 F431 F510 L580 F598	L430-V433 PolarHBondContact O-N 3.23Å; F431-V433 PolarHBondContact O-N 3.1Å; F431-V433 VanDerWaalsContact O-N 3.13Å; V433-F510 WeakPolarHBondContact O-CZ 3.32Å; V433-L580 HydrophobicContact CG2-CD1 3.87Å; V433-L580 HydrophobicContact CG2-CD2 3.73Å; V433-L580 HydrophobicContact CG2-CG 4.41Å; V433-F598 HydrophobicContact CG1-CD2 4.05Å; V433-F598 HydrophobicContact CG1-CE2 4.32Å
434	Y	94	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-13.3	-172.5	-57.5	-82.6	0	0	0	113.7	F431 G432 T462 A463 H466 L467 I521 Y522 P524 F598	F431-Y434 PolarHBondContact O-N 2.97Å; G432-Y434 VanDerWaalsContact C-N 3.28Å; Y434-T462 HydrophobicContact CD1-CG2 4.28Å; Y434-A463 HydrophobicContact CD2-CB 4.48Å; Y434-A463 HydrophobicContact CG-CB 4.23Å; Y434-H466 HydrophobicContact CD1-CB 3.98Å; Y434-H466 AromaticContact CD1-CD2 3.72Å; Y434-H466 HydrophobicContact CE1-CB 3.34Å; Y434-H466 AromaticContact CE1-CD2 3.56Å; Y434-H466 AromaticContact CE1-CG 3.63Å; Y434-L467 HydrophobicContact CD2-CD1 3.83Å; Y434-L467 HydrophobicContact CD2-CG 4.1Å; Y434-L467 HydrophobicContact CE2-CD1 3.72Å; Y434-L467 HydrophobicContact CE2-CD2 3.67Å; Y434-L467 HydrophobicContact CE2-CG 3.6Å; Y434-I521 HydrophobicContact CD1-CG2 3.45Å; Y434-I521 VanDerWaalsContact CD1-CG2 3.45Å; Y434-I521 HydrophobicContact CE1-CG2 3.92Å; Y434-I521 HydrophobicContact CG-CG2 4.46Å; Y434-Y522 WeakPolarHBondContact CE1-O 3.38Å; Y434-Y522 PolarHBondContact OH-O 2.75Å; Y434-P524 VanDerWaalsContact OH-CD 3.27Å; Y434-P524 WeakPolarHBondContact OH-CD 3.45Å; Y434-P524 WeakPolarHBondContact OH-CG 3.47Å; Y434-F598 HydrophobicContact CE2-CE2 4.24Å; Y434-F598 VanDerWaalsContact OH-CD2 3.24Å; Y434-F598 WeakPolarHBondContact OH-CD2 3.36Å; Y434-F598 VanDerWaalsContact OH-CE2 3.25Å; Y434-F598 WeakPolarHBondContact OH-CE2 3.42Å
435	G	92.5	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	179.1	175.1	178.3	0	0	0	0	0	113.7	F431 G432 V437 Q459 F510	F431-G435 PolarHBondContact O-N 3.08Å; G432-G435 VanDerWaalsContact CA-O 3.29Å; G432-G435 WeakPolarHBondContact CA-O 3.46Å; G435-V437 PolarHBondContact O-N 3.42Å; G435-Q459 VanDerWaalsContact CA-CD 3.46Å; G435-Q459 VanDerWaalsContact CA-OE1 3.29Å; G435-F510 VanDerWaalsContact CA-CD2 3.45Å; G435-F510 VanDerWaalsContact N-CE2 3.31Å
436	D	93.3	Very high	93	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.07	15%	0.146	C	C	.	.			trans	-85.3	98.9	178.1	-72.3	-14.2	0	0	0	109.7	T438 S455 H508 R509 F510 R511	D436-T438 PolarHBondContact O-N 3.17Å; D436-S455 PolarHBondContact O-N 3.29Å; D436-S455 PolarHBondContact O-OG 2.87Å; D436-H508 VanDerWaalsContact CA-ND1 3.32Å; D436-H508 WeakPolarHBondContact CA-ND1 3.35Å; D436-H508 HydrophobicContact CB-CB 4.49Å; D436-H508 VanDerWaalsContact CB-ND1 3.3Å; D436-H508 WeakPolarHBondContact CB-ND1 3.41Å; D436-H508 WeakPolarHBondContact OD1-CB 3.41Å; D436-H508 IonicContact OD1-CG 3.76Å; D436-H508 IonicContact OD1-ND1 2.74Å; D436-H508 PolarHBondContact OD1-ND1 3.47Å; D436-R509 PolarHBondContact OD1-N 3.49Å; D436-F510 WeakPolarHBondContact OD1-CB 3.37Å; D436-F510 PolarHBondContact OD1-N 2.87Å; D436-F510 VanDerWaalsContact OD2-C 3.3Å; D436-R511 WeakPolarHBondContact OD2-CG 3.3Å; D436-R511 PolarHBondContact OD2-N 3.33Å
437	V	95.2	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	113.2	177.5	175.6	0	0	0	0	111.1	F428 F431 G435 V440 V452 Q453 F454 Y502 H508	F428-V437 HydrophobicContact CD2-CB 3.89Å; F428-V437 HydrophobicContact CD2-CG1 4.1Å; F428-V437 HydrophobicContact CE2-CB 4.3Å; F431-V437 HydrophobicContact CB-CG2 3.67Å; G435-V437 PolarHBondContact O-N 3.42Å; V437-V440 HydrophobicContact CG1-CG2 3.72Å; V437-V452 HydrophobicContact CG1-CG1 3.79Å; V437-V452 HydrophobicContact CG2-CG1 4.04Å; V437-Q453 CarbonylContact C-O 3.57Å; V437-Q453 WeakPolarHBondContact CA-O 3.49Å; V437-F454 HydrophobicContact CG2-CD1 4.16Å; V437-F454 HydrophobicContact CG2-CE1 3.76Å; V437-F454 HydrophobicContact CG2-CZ 3.98Å; V437-Y502 VanDerWaalsContact O-CB 3.28Å; V437-Y502 WeakPolarHBondContact O-CB 3.32Å; V437-H508 PolarHBondContact N-CE1 3.37Å; V437-H508 PolarHBondContact O-CE1 2.8Å; V437-H508 PolarHBondContact O-NE2 3.47Å
438	T	94.2	Very high	92.5	Very high	17 Å²	17	35.5 Å²	35.5	10%	0.104	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-36.7	179.1	52.4	0	0	0	0	112.9	D436 Q453 F454 Y502 T503	D436-T438 PolarHBondContact O-N 3.17Å; T438-Q453 PolarHBondContact N-O 2.86Å; T438-Q453 VanDerWaalsContact OG1-CG 3.28Å; T438-Q453 WeakPolarHBondContact OG1-CG 3.16Å; T438-Q453 PolarHBondContact OG1-O 2.78Å; T438-F454 PolarHBondContact OG1-O 2.65Å; T438-Y502 CarbonylContact O-C 3.54Å; T438-Y502 WeakPolarHBondContact O-CA 3.39Å; T438-Y502 PolarHBondContact O-N 2.84Å; T438-T503 PolarHBondContact O-N 2.82Å; T438-T503 PolarHBondContact O-OG1 2.95Å
439	R	93.8	Very high	92.4	Very high	51 Å²	51	35.8 Å²	35.8	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.6	-177.7	-66.3	-174	172.5	156.2	5.5	112.6	Q453 V487 D501	R439-Q453 HydrophobicContact CB-CB 4.15Å; R439-Q453 PolarHBondContact N-O 2.86Å; R439-Q453 PolarHBondContact O-N 2.79Å; R439-V487 HydrophobicContact CB-CB 3.8Å; R439-V487 HydrophobicContact CB-CG1 3.86Å; R439-V487 HydrophobicContact CB-CG2 4.49Å; R439-V487 VanDerWaalsContact CD-O 3.23Å; R439-V487 WeakPolarHBondContact CD-O 3.4Å; R439-V487 PolarHBondContact NH1-O 3.31Å; R439-V487 VanDerWaalsContact NH1-O 3.07Å; R439-D501 IonicContact CZ-OD2 3.74Å; R439-D501 VanDerWaalsContact CZ-OD2 3.24Å; R439-D501 IonicContact NE-OD2 3.17Å; R439-D501 PolarHBondContact NE-OD2 3.32Å; R439-D501 IonicContact NH2-OD2 2.74Å; R439-D501 PolarHBondContact NH2-OD2 3.16Å
440	V	94.9	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.6	169.2	-178.6	0	0	0	0	109.4	P424 L427 F428 V437 L451 V452 T499 K500 Y502	P424-V440 HydrophobicContact CB-CB 4.13Å; P424-V440 HydrophobicContact CB-CG1 3.97Å; L427-V440 HydrophobicContact CB-CG1 3.95Å; L427-V440 HydrophobicContact CB-CG2 4.37Å; L427-V440 HydrophobicContact CD1-CG1 3.72Å; L427-V440 HydrophobicContact CG-CG1 4.47Å; F428-V440 HydrophobicContact CB-CG2 4.35Å; V437-V440 HydrophobicContact CG1-CG2 3.72Å; V440-L451 CarbonylContact C-O 3.57Å; V440-L451 WeakPolarHBondContact CA-O 3.36Å; V440-V452 HydrophobicContact CG1-CG2 4.46Å; V440-V452 HydrophobicContact CG2-CG1 4.47Å; V440-V452 HydrophobicContact CG2-CG2 4.49Å; V440-T499 CarbonylContact O-C 3.54Å; V440-T499 WeakPolarHBondContact O-CA 3.35Å; V440-K500 PolarHBondContact N-O 3.41Å; V440-K500 PolarHBondContact O-N 3.27Å; V440-Y502 HydrophobicContact CB-CE2 3.96Å; V440-Y502 HydrophobicContact CG2-CD2 4.21Å; V440-Y502 HydrophobicContact CG2-CE2 3.75Å
441	K	93.4	Very high	92.5	Very high	46 Å²	46	35.3 Å²	35.3	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	109.5	175.2	179.6	164.7	-162.6	167.8	0	111.5	A450 L451 V487 Q488 L498 T499	K441-A450 CarbonylContact O-C 3.02Å; K441-A450 WeakPolarHBondContact O-CA 3.38Å; K441-L451 PolarHBondContact N-O 2.8Å; K441-L451 PolarHBondContact O-N 3.3Å; K441-V487 HydrophobicContact CB-CG1 3.46Å; K441-V487 VanDerWaalsContact CB-CG1 3.46Å; K441-V487 HydrophobicContact CD-CG1 4.12Å; K441-V487 HydrophobicContact CG-CG1 4.44Å; K441-Q488 WeakPolarHBondContact CD-O 3.17Å; K441-Q488 PolarHBondContact NZ-O 3.46Å; K441-L498 CarbonylContact C-O 3.59Å; K441-L498 WeakPolarHBondContact CA-O 3.5Å; K441-T499 HydrophobicContact CB-CG2 3.98Å; K441-T499 HydrophobicContact CD-CG2 4.21Å; K441-T499 HydrophobicContact CG-CG2 4.18Å; K441-T499 WeakPolarHBondContact CG-OG1 3.18Å
442	I	92.8	Very high	92.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.5	168.5	-59.3	-178.9	0	0	0	108.4	V422 P424 L427 F444 K447 A450 L498	V422-I442 WeakPolarHBondContact O-CD1 3.5Å; P424-I442 HydrophobicContact CG-CD1 4.07Å; P424-I442 HydrophobicContact CG-CG1 4.3Å; L427-I442 HydrophobicContact CD1-CD1 4.47Å; L427-I442 HydrophobicContact CD1-CG1 4.24Å; I442-F444 PolarHBondContact O-N 2.86Å; I442-K447 HydrophobicContact CG2-CB 4.27Å; I442-K447 WeakPolarHBondContact CG2-O 3.34Å; I442-A450 HydrophobicContact CG1-CB 3.99Å; I442-L498 HydrophobicContact CB-CB 4.32Å; I442-L498 HydrophobicContact CB-CD2 4.05Å; I442-L498 HydrophobicContact CG2-CD2 4.06Å; I442-L498 PolarHBondContact N-O 2.83Å
443	M	88.6	Confident	92.5	Very high	62 Å²	62	36.3 Å²	36.3	31%	0.305	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.2	-175.4	-64.8	-69.7	-74.8	0	0	110.4	N445 K446 K447 T449	M443-N445 VanDerWaalsContact C-N 3.32Å; M443-N445 PolarHBondContact O-N 3.03Å; M443-K446 CarbonylContact O-C 3.55Å; M443-K446 PolarHBondContact O-N 2.94Å; M443-K447 PolarHBondContact O-N 3.04Å; M443-T449 WeakPolarHBondContact CB-O 3.41Å; M443-T449 HydrophobicContact CG-CG2 4.33Å; M443-T449 WeakPolarHBondContact CG-O 3.15Å; M443-T449 PolarHBondContact N-O 2.93Å
444	F	85	Confident	92.6	Very high	144 Å²	144	35.9 Å²	35.9	63%	0.632	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.6	-179.4	70.7	-80.6	0	0	0	113.4	I442 K446 L498	I442-F444 PolarHBondContact O-N 2.86Å; F444-K446 VanDerWaalsContact C-N 3.26Å; F444-K446 PolarHBondContact O-N 3.39Å; F444-L498 HydrophobicContact CB-CD1 4.06Å
445	N	82.8	Confident	92.5	Very high	135 Å²	135	39 Å²	39	72%	0.722	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	176.5	-82.3	-14.5	0	0	0	114.5	M443	M443-N445 VanDerWaalsContact C-N 3.32Å; M443-N445 PolarHBondContact O-N 3.03Å
446	K	88.8	Confident	92.4	Very high	121 Å²	121	41.6 Å²	41.6	53%	0.526	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	79.6	-175.7	-170.8	174.7	-179.5	177.6	0	110.1	M443 F444 S448 T449	M443-K446 CarbonylContact O-C 3.55Å; M443-K446 PolarHBondContact O-N 2.94Å; F444-K446 VanDerWaalsContact C-N 3.26Å; F444-K446 PolarHBondContact O-N 3.39Å; K446-S448 PolarHBondContact O-N 3.47Å; K446-S448 VanDerWaalsContact O-N 3.08Å; K446-T449 WeakPolarHBondContact CD-OG1 3.44Å; K446-T449 WeakPolarHBondContact CE-OG1 3.5Å; K446-T449 PolarHBondContact O-N 2.79Å
447	K	89.4	Confident	92.3	Very high	94 Å²	94	42.6 Å²	42.6	41%	0.409	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-22.2	-173.6	-65.3	-179.1	179.5	-177.3	0	113.3	E419 I442 M443 T449	E419-K447 HydrophobicContact CB-CB 3.85Å; E419-K447 HydrophobicContact CG-CB 4Å; I442-K447 HydrophobicContact CG2-CB 4.27Å; I442-K447 WeakPolarHBondContact CG2-O 3.34Å; M443-K447 PolarHBondContact O-N 3.04Å; K447-T449 PolarHBondContact O-N 3.04Å; K447-T449 VanDerWaalsContact O-N 3.08Å
448	S	92	Very high	92	Very high	17 Å²	17	49.2 Å²	49.2	12%	0.119	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	3.9	169.2	46.2	0	0	0	0	114.7	S415 N416 L417 E419 K446	S415-S448 CarbonylContact C-O 3.6Å; S415-S448 WeakPolarHBondContact CA-O 3.39Å; N416-S448 PolarHBondContact N-O 3.3Å; L417-S448 PolarHBondContact N-O 2.77Å; E419-S448 VanDerWaalsContact CD-N 3.29Å; E419-S448 WeakPolarHBondContact OE1-CA 3.36Å; E419-S448 WeakPolarHBondContact OE1-CB 3.28Å; E419-S448 PolarHBondContact OE1-N 2.94Å; E419-S448 PolarHBondContact OE1-OG 2.76Å; K446-S448 PolarHBondContact O-N 3.47Å; K446-S448 VanDerWaalsContact O-N 3.08Å
449	T	94.3	Very high	91.9	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	179.4	-52	0	0	0	0	111.2	I413 V414 M443 K446 K447	I413-T449 HydrophobicContact CD1-CG2 3.88Å; I413-T449 HydrophobicContact CG1-CG2 3.85Å; V414-T449 CarbonylContact O-C 3.59Å; V414-T449 VanDerWaalsContact O-CA 3.27Å; V414-T449 WeakPolarHBondContact O-CA 3.49Å; M443-T449 WeakPolarHBondContact CB-O 3.41Å; M443-T449 HydrophobicContact CG-CG2 4.33Å; M443-T449 WeakPolarHBondContact CG-O 3.15Å; M443-T449 PolarHBondContact N-O 2.93Å; K446-T449 WeakPolarHBondContact CD-OG1 3.44Å; K446-T449 WeakPolarHBondContact CE-OG1 3.5Å; K446-T449 PolarHBondContact O-N 2.79Å; K447-T449 PolarHBondContact O-N 3.04Å; K447-T449 VanDerWaalsContact O-N 3.08Å
450	A	96.1	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.1	178	0	0	0	0	0	112	I413 V414 L417 L427 K441 I442	I413-A450 WeakPolarHBondContact CA-O 3.35Å; V414-A450 PolarHBondContact N-O 2.82Å; V414-A450 PolarHBondContact O-N 3.14Å; L417-A450 HydrophobicContact CD1-CB 3.66Å; L427-A450 HydrophobicContact CD1-CB 3.58Å; K441-A450 CarbonylContact O-C 3.02Å; K441-A450 WeakPolarHBondContact O-CA 3.38Å; I442-A450 HydrophobicContact CG1-CB 3.99Å
451	L	95.8	Very high	91.8	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.7	167.5	-59.4	178	0	0	0	108.9	V411 L412 I413 V440 K441 F484 V487	V411-L451 HydrophobicContact CG1-CB 4.13Å; V411-L451 HydrophobicContact CG1-CD2 4.4Å; L412-L451 WeakPolarHBondContact O-CA 3.12Å; I413-L451 HydrophobicContact CB-CD2 3.83Å; I413-L451 HydrophobicContact CD1-CD2 4.26Å; I413-L451 HydrophobicContact CG1-CD2 3.93Å; V440-L451 CarbonylContact C-O 3.57Å; V440-L451 WeakPolarHBondContact CA-O 3.36Å; K441-L451 PolarHBondContact N-O 2.8Å; K441-L451 PolarHBondContact O-N 3.3Å; L451-F484 HydrophobicContact CD1-CB 4.45Å; L451-F484 HydrophobicContact CD1-CD2 3.67Å; L451-F484 HydrophobicContact CD1-CE2 4.25Å; L451-F484 HydrophobicContact CD1-CG 4.27Å; L451-F484 HydrophobicContact CD2-CD2 4.15Å; L451-V487 HydrophobicContact CB-CG2 3.68Å
452	V	96.7	Very high	91.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.2	177.1	-179.5	0	0	0	0	107.9	V411 L412 V414 L427 F431 V437 V440 F454	V411-V452 CarbonylContact C-O 3.58Å; V411-V452 WeakPolarHBondContact CA-O 3.13Å; L412-V452 PolarHBondContact N-O 3.01Å; L412-V452 PolarHBondContact O-N 2.62Å; V414-V452 HydrophobicContact CG2-CG2 3.86Å; L427-V452 HydrophobicContact CB-CG2 4.43Å; L427-V452 HydrophobicContact CD1-CG2 4.47Å; F431-V452 HydrophobicContact CB-CG1 4.04Å; F431-V452 HydrophobicContact CD1-CB 4.44Å; F431-V452 HydrophobicContact CD1-CG1 4Å; F431-V452 HydrophobicContact CD2-CG2 4.47Å; F431-V452 HydrophobicContact CG-CG1 3.98Å; V437-V452 HydrophobicContact CG1-CG1 3.79Å; V437-V452 HydrophobicContact CG2-CG1 4.04Å; V440-V452 HydrophobicContact CG1-CG2 4.46Å; V440-V452 HydrophobicContact CG2-CG1 4.47Å; V440-V452 HydrophobicContact CG2-CG2 4.49Å; V452-F454 HydrophobicContact CG1-CD2 4.48Å; V452-F454 HydrophobicContact CG1-CE2 4Å
453	Q	95.5	Very high	91.9	Very high	27 Å²	27	50.9 Å²	50.9	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.7	178	-172.7	177.3	-14.1	0	0	110.2	V411 V437 T438 R439 V487	V411-Q453 HydrophobicContact CG2-CB 3.92Å; V411-Q453 HydrophobicContact CG2-CG 3.73Å; V437-Q453 CarbonylContact C-O 3.57Å; V437-Q453 WeakPolarHBondContact CA-O 3.49Å; T438-Q453 PolarHBondContact N-O 2.86Å; T438-Q453 VanDerWaalsContact OG1-CG 3.28Å; T438-Q453 WeakPolarHBondContact OG1-CG 3.16Å; T438-Q453 PolarHBondContact OG1-O 2.78Å; R439-Q453 HydrophobicContact CB-CB 4.15Å; R439-Q453 PolarHBondContact N-O 2.86Å; R439-Q453 PolarHBondContact O-N 2.79Å; Q453-V487 HydrophobicContact CB-CB 4.3Å; Q453-V487 HydrophobicContact CB-CG2 3.86Å
454	F	95.4	Very high	92.2	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	165.8	169.9	-73.9	-94.7	0	0	0	111.5	T410 L412 F431 V437 T438 V452 D456 Q459 A460 A463	T410-F454 PolarHBondContact O-N 3.42Å; L412-F454 HydrophobicContact CD1-CE2 3.84Å; L412-F454 HydrophobicContact CG-CE2 4.37Å; F431-F454 HydrophobicContact CB-CE2 4.5Å; F431-F454 HydrophobicContact CB-CZ 3.82Å; F431-F454 AromaticContact CD1-CE2 3.97Å; F431-F454 HydrophobicContact CD1-CE2 3.97Å; F431-F454 AromaticContact CD1-CZ 3.87Å; F431-F454 HydrophobicContact CD1-CZ 3.87Å; F431-F454 HydrophobicContact CG-CZ 4.36Å; V437-F454 HydrophobicContact CG2-CD1 4.16Å; V437-F454 HydrophobicContact CG2-CE1 3.76Å; V437-F454 HydrophobicContact CG2-CZ 3.98Å; T438-F454 PolarHBondContact OG1-O 2.65Å; V452-F454 HydrophobicContact CG1-CD2 4.48Å; V452-F454 HydrophobicContact CG1-CE2 4Å; F454-D456 WeakPolarHBondContact CB-O 3.41Å; F454-Q459 HydrophobicContact CB-CB 4.49Å; F454-Q459 HydrophobicContact CD1-CB 3.81Å; F454-Q459 HydrophobicContact CE1-CB 4.4Å; F454-Q459 HydrophobicContact CG-CB 4.35Å; F454-A460 HydrophobicContact CB-CB 4.21Å; F454-A460 HydrophobicContact CD2-CB 3.66Å; F454-A460 HydrophobicContact CE2-CB 4.33Å; F454-A460 HydrophobicContact CG-CB 4.09Å; F454-A463 HydrophobicContact CE1-CB 4.28Å; F454-A463 HydrophobicContact CE2-CB 3.93Å; F454-A463 HydrophobicContact CZ-CB 3.43Å; F454-A463 VanDerWaalsContact CZ-CB 3.43Å
455	S	92	Very high	92.6	Very high	65 Å²	65	48.4 Å²	48.4	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	-71.7	-31.2	167.1	57.7	0	0	0	0	112.5	D436 Q459	D436-S455 PolarHBondContact O-N 3.29Å; D436-S455 PolarHBondContact O-OG 2.87Å; S455-Q459 PolarHBondContact OG-OE1 3.43Å
456	D	90.4	Very high	93.1	Very high	55 Å²	55	43.5 Å²	43.5	29%	0.294	22%	0.217	S	C	.	.	S	Bend	trans	-134.7	141.4	-172	173.8	82.2	0	0	0	111.6	F454 Q458 Q459 A460	F454-D456 WeakPolarHBondContact CB-O 3.41Å; D456-Q458 WeakPolarHBondContact OD2-CA 3.49Å; D456-Q458 VanDerWaalsContact OD2-CB 3.22Å; D456-Q458 WeakPolarHBondContact OD2-CB 3.49Å; D456-Q458 PolarHBondContact OD2-N 3.42Å; D456-Q459 HydrophobicContact CB-CB 4.38Å; D456-Q459 HydrophobicContact CB-CG 4.14Å; D456-Q459 WeakPolarHBondContact O-CB 3.27Å; D456-Q459 PolarHBondContact OD2-N 3.39Å; D456-Q459 VanDerWaalsContact OD2-N 3.09Å; D456-A460 PolarHBondContact O-N 3.31Å
457	P	90.3	Very high	93.5	Very high	33 Å²	33	37.8 Å²	37.8	21%	0.214	19%	0.192	C	C	.	.	H	α-helix	trans	-74.6	-25.5	-177.9	28.9	-35.9	0	0	0	114.5	A408 T410 Q459 A460 L461	A408-P457 HydrophobicContact CB-CB 3.83Å; A408-P457 HydrophobicContact CB-CG 3.94Å; A408-P457 WeakPolarHBondContact O-CB 3.4Å; T410-P457 HydrophobicContact CG2-CB 4.23Å; P457-Q459 VanDerWaalsContact C-N 3.32Å; P457-A460 PolarHBondContact O-N 3.06Å; P457-L461 WeakPolarHBondContact O-CG 3.43Å; P457-L461 PolarHBondContact O-N 2.99Å
458	Q	89.5	Confident	93.7	Very high	140 Å²	140	37 Å²	37	65%	0.654	19%	0.193	S	C	*	.	H	α-helix	trans	-68.1	-37.9	175	-51.4	-170.8	-60	0	0	110.4	D456 L461 T462	D456-Q458 WeakPolarHBondContact OD2-CA 3.49Å; D456-Q458 VanDerWaalsContact OD2-CB 3.22Å; D456-Q458 WeakPolarHBondContact OD2-CB 3.49Å; D456-Q458 PolarHBondContact OD2-N 3.42Å; Q458-L461 PolarHBondContact O-N 3.3Å; Q458-T462 WeakPolarHBondContact O-CB 3.41Å; Q458-T462 PolarHBondContact O-N 3.12Å; Q458-T462 PolarHBondContact O-OG1 2.85Å
459	Q	92.9	Very high	93.8	Very high	20 Å²	20	38.5 Å²	38.5	9%	0.093	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-43.4	170.8	-70.4	-178.5	-2.4	0	0	112.4	G435 F454 S455 D456 P457 L461 T462 A463	G435-Q459 VanDerWaalsContact CA-CD 3.46Å; G435-Q459 VanDerWaalsContact CA-OE1 3.29Å; F454-Q459 HydrophobicContact CB-CB 4.49Å; F454-Q459 HydrophobicContact CD1-CB 3.81Å; F454-Q459 HydrophobicContact CE1-CB 4.4Å; F454-Q459 HydrophobicContact CG-CB 4.35Å; S455-Q459 PolarHBondContact OG-OE1 3.43Å; D456-Q459 HydrophobicContact CB-CB 4.38Å; D456-Q459 HydrophobicContact CB-CG 4.14Å; D456-Q459 WeakPolarHBondContact O-CB 3.27Å; D456-Q459 PolarHBondContact OD2-N 3.39Å; D456-Q459 VanDerWaalsContact OD2-N 3.09Å; P457-Q459 VanDerWaalsContact C-N 3.32Å; Q459-L461 PolarHBondContact O-N 3.43Å; Q459-T462 PolarHBondContact O-N 3.46Å; Q459-A463 PolarHBondContact O-N 3.48Å
460	A	93.6	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.1	0	0	0	0	0	112.1	L412 F454 D456 P457 T462 A463 L464	L412-A460 WeakPolarHBondContact CD1-O 3.2Å; L412-A460 HydrophobicContact CD2-CB 4.16Å; L412-A460 HydrophobicContact CG-CB 4.23Å; F454-A460 HydrophobicContact CB-CB 4.21Å; F454-A460 HydrophobicContact CD2-CB 3.66Å; F454-A460 HydrophobicContact CE2-CB 4.33Å; F454-A460 HydrophobicContact CG-CB 4.09Å; D456-A460 PolarHBondContact O-N 3.31Å; P457-A460 PolarHBondContact O-N 3.06Å; A460-T462 VanDerWaalsContact C-N 3.34Å; A460-T462 PolarHBondContact O-N 3.24Å; A460-A463 PolarHBondContact O-N 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.4Å; A460-L464 PolarHBondContact O-N 2.97Å
461	L	93	Very high	93.8	Very high	89 Å²	89	42 Å²	42	47%	0.466	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-36.6	176.1	-70.2	171.7	0	0	0	112.5	P457 Q458 Q459 L464 Y465	P457-L461 WeakPolarHBondContact O-CG 3.43Å; P457-L461 PolarHBondContact O-N 2.99Å; Q458-L461 PolarHBondContact O-N 3.3Å; Q459-L461 PolarHBondContact O-N 3.43Å; L461-L464 HydrophobicContact CD2-CD2 4.17Å; L461-L464 WeakPolarHBondContact O-CB 3.47Å; L461-L464 PolarHBondContact O-N 2.96Å; L461-Y465 WeakPolarHBondContact O-CB 3.4Å; L461-Y465 PolarHBondContact O-N 2.67Å
462	T	92.6	Very high	93.8	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.27	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-44.3	176.1	-57.3	0	0	0	0	111.1	Y434 Q458 Q459 A460 Y465 H466 I521	Y434-T462 HydrophobicContact CD1-CG2 4.28Å; Q458-T462 WeakPolarHBondContact O-CB 3.41Å; Q458-T462 PolarHBondContact O-N 3.12Å; Q458-T462 PolarHBondContact O-OG1 2.85Å; Q459-T462 PolarHBondContact O-N 3.46Å; A460-T462 VanDerWaalsContact C-N 3.34Å; A460-T462 PolarHBondContact O-N 3.24Å; T462-Y465 PolarHBondContact O-N 2.9Å; T462-H466 PolarHBondContact O-CD2 2.84Å; T462-H466 PolarHBondContact O-N 3.33Å; T462-H466 VanDerWaalsContact O-N 3.13Å; T462-I521 HydrophobicContact CG2-CD1 4.35Å; T462-I521 HydrophobicContact CG2-CG2 3.89Å
463	A	95.1	Very high	93.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-42.9	174.8	0	0	0	0	0	112.2	L412 F431 Y434 F454 Q459 A460 Y465 H466 L467	L412-A463 HydrophobicContact CD1-CB 4.08Å; F431-A463 HydrophobicContact CD1-CB 4.03Å; Y434-A463 HydrophobicContact CD2-CB 4.48Å; Y434-A463 HydrophobicContact CG-CB 4.23Å; F454-A463 HydrophobicContact CE1-CB 4.28Å; F454-A463 HydrophobicContact CE2-CB 3.93Å; F454-A463 HydrophobicContact CZ-CB 3.43Å; F454-A463 VanDerWaalsContact CZ-CB 3.43Å; Q459-A463 PolarHBondContact O-N 3.48Å; A460-A463 PolarHBondContact O-N 3.32Å; A463-Y465 PolarHBondContact O-N 2.81Å; A463-H466 PolarHBondContact O-N 2.75Å; A463-L467 VanDerWaalsContact O-CB 3.29Å; A463-L467 WeakPolarHBondContact O-CB 3.47Å; A463-L467 PolarHBondContact O-N 2.88Å
464	L	95	Very high	93.4	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-48.5	173.9	174.3	70.1	0	0	0	111.4	L412 A460 L461 N468 I479 V481	L412-L464 HydrophobicContact CD1-CB 4.28Å; L412-L464 HydrophobicContact CD2-CB 4.12Å; A460-L464 WeakPolarHBondContact O-CB 3.4Å; A460-L464 PolarHBondContact O-N 2.97Å; L461-L464 HydrophobicContact CD2-CD2 4.17Å; L461-L464 WeakPolarHBondContact O-CB 3.47Å; L461-L464 PolarHBondContact O-N 2.96Å; L464-N468 WeakPolarHBondContact O-CB 3.31Å; L464-N468 PolarHBondContact O-N 3.44Å; L464-I479 HydrophobicContact CD1-CB 3.83Å; L464-I479 HydrophobicContact CD1-CG2 3.58Å; L464-I479 VanDerWaalsContact CD1-O 3.3Å; L464-I479 WeakPolarHBondContact CD1-O 3.3Å; L464-V481 HydrophobicContact CD2-CG2 4.01Å
465	Y	93.7	Very high	93.3	Very high	119 Å²	119	47.6 Å²	47.6	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-42.2	-178.6	178.7	-102.5	0	0	0	112.7	L461 T462 A463	L461-Y465 WeakPolarHBondContact O-CB 3.4Å; L461-Y465 PolarHBondContact O-N 2.67Å; T462-Y465 PolarHBondContact O-N 2.9Å; A463-Y465 PolarHBondContact O-N 2.81Å
466	H	93.6	Very high	93.4	Very high	33 Å²	33	47.5 Å²	47.5	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-86.3	-33.1	-175	-75.6	-53.4	0	0	0	115	Y434 T462 A463 Q470 A523 P524	Y434-H466 HydrophobicContact CD1-CB 3.98Å; Y434-H466 AromaticContact CD1-CD2 3.72Å; Y434-H466 HydrophobicContact CE1-CB 3.34Å; Y434-H466 AromaticContact CE1-CD2 3.56Å; Y434-H466 AromaticContact CE1-CG 3.63Å; T462-H466 PolarHBondContact O-CD2 2.84Å; T462-H466 PolarHBondContact O-N 3.33Å; T462-H466 VanDerWaalsContact O-N 3.13Å; A463-H466 PolarHBondContact O-N 2.75Å; H466-Q470 VanDerWaalsContact O-CG 3.3Å; H466-Q470 WeakPolarHBondContact O-CG 3.4Å; H466-A523 WeakPolarHBondContact ND1-CA 3.49Å; H466-A523 WeakPolarHBondContact ND1-CB 3.37Å; H466-P524 VanDerWaalsContact O-CD 3.23Å; H466-P524 WeakPolarHBondContact O-CD 3.45Å
467	L	95.9	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-97.6	-16.3	-173.9	-66.8	174.9	0	0	0	114.4	L430 F431 Y434 A463 G469 Q470 L477 I479 P524	L430-L467 HydrophobicContact CD1-CD2 3.84Å; L430-L467 HydrophobicContact CD2-CD2 4.32Å; L430-L467 HydrophobicContact CG-CD1 4.07Å; L430-L467 HydrophobicContact CG-CD2 4.06Å; F431-L467 HydrophobicContact CD1-CD1 3.87Å; F431-L467 HydrophobicContact CD2-CD1 4.01Å; F431-L467 HydrophobicContact CE1-CD1 3.85Å; F431-L467 HydrophobicContact CE2-CD1 3.99Å; F431-L467 HydrophobicContact CG-CD1 3.95Å; F431-L467 HydrophobicContact CZ-CD1 3.91Å; Y434-L467 HydrophobicContact CD2-CD1 3.83Å; Y434-L467 HydrophobicContact CD2-CG 4.1Å; Y434-L467 HydrophobicContact CE2-CD1 3.72Å; Y434-L467 HydrophobicContact CE2-CD2 3.67Å; Y434-L467 HydrophobicContact CE2-CG 3.6Å; A463-L467 VanDerWaalsContact O-CB 3.29Å; A463-L467 WeakPolarHBondContact O-CB 3.47Å; A463-L467 PolarHBondContact O-N 2.88Å; L467-G469 PolarHBondContact O-N 3.39Å; L467-Q470 WeakPolarHBondContact O-CB 3.31Å; L467-Q470 PolarHBondContact O-N 3.03Å; L467-L477 HydrophobicContact CB-CD1 4.44Å; L467-I479 HydrophobicContact CB-CD1 3.38Å; L467-P524 HydrophobicContact CD2-CG 3.87Å
468	N	94.9	Very high	93.9	Very high	79 Å²	79	49.5 Å²	49.5	42%	0.422	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	131.6	-179.9	-171.4	39.5	0	0	0	111.2	L464 Q470 L477 I479	L464-N468 WeakPolarHBondContact O-CB 3.31Å; L464-N468 PolarHBondContact O-N 3.44Å; N468-Q470 VanDerWaalsContact C-N 3.26Å; N468-Q470 PolarHBondContact O-N 2.92Å; N468-L477 PolarHBondContact OD1-O 2.86Å; N468-I479 HydrophobicContact CB-CB 4.19Å; N468-I479 HydrophobicContact CB-CG1 4.47Å; N468-I479 PolarHBondContact OD1-N 3.08Å; N468-I479 PolarHBondContact OD1-O 2.86Å
469	G	93.6	Very high	94.2	Very high	48 Å²	48	43.3 Å²	43.3	50%	0.495	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-11.3	-174.5	0	0	0	0	0	115.3	L467 P476 L477	L467-G469 PolarHBondContact O-N 3.39Å; G469-P476 WeakPolarHBondContact O-CB 3.35Å; G469-L477 WeakPolarHBondContact CA-O 2.95Å; G469-L477 PolarHBondContact N-O 3.49Å
470	Q	95.5	Very high	94.2	Very high	46 Å²	46	44.6 Å²	44.6	22%	0.215	25%	0.254	C	S	.	.			trans	-73	142.3	-176.3	-63.1	-72.1	-9	0	0	111.8	H466 L467 N468 P476 L477 P524 I577	H466-Q470 VanDerWaalsContact O-CG 3.3Å; H466-Q470 WeakPolarHBondContact O-CG 3.4Å; L467-Q470 WeakPolarHBondContact O-CB 3.31Å; L467-Q470 PolarHBondContact O-N 3.03Å; N468-Q470 VanDerWaalsContact C-N 3.26Å; N468-Q470 PolarHBondContact O-N 2.92Å; Q470-P476 CarbonylContact O-C 3.6Å; Q470-P476 WeakPolarHBondContact O-CA 3.48Å; Q470-L477 WeakPolarHBondContact O-CG 3.4Å; Q470-L477 PolarHBondContact O-N 2.87Å; Q470-P524 HydrophobicContact CG-CB 4.39Å; Q470-P524 HydrophobicContact CG-CG 3.94Å; Q470-I577 HydrophobicContact CB-CD1 4.19Å
471	P	94.5	Very high	94.1	Very high	40 Å²	40	47.8 Å²	47.8	26%	0.26	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136	178.6	30.9	-34.8	0	0	0	111.2	D574 I577	P471-D574 HydrophobicContact CB-CB 3.9Å; P471-D574 HydrophobicContact CG-CB 3.82Å; P471-I577 WeakPolarHBondContact O-CD1 3.42Å
472	L	95.2	Very high	93.9	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	112.7	166.2	176.6	64.6	0	0	0	108.5	L417 V422 L430 G474 K475 L477 D574 I577 I581	L417-L472 HydrophobicContact CD2-CD2 4.34Å; V422-L472 HydrophobicContact CG2-CD2 3.78Å; V422-L472 HydrophobicContact CG2-CG 4.3Å; L430-L472 HydrophobicContact CD2-CD2 4.3Å; L472-G474 VanDerWaalsContact C-N 3.35Å; L472-G474 PolarHBondContact O-N 2.89Å; L472-K475 PolarHBondContact N-O 3.36Å; L472-K475 PolarHBondContact O-N 3.35Å; L472-L477 HydrophobicContact CB-CD1 4.32Å; L472-L477 HydrophobicContact CB-CD2 3.91Å; L472-L477 HydrophobicContact CB-CG 4.03Å; L472-L477 HydrophobicContact CD2-CD2 3.92Å; L472-D574 WeakPolarHBondContact CA-OD1 3.46Å; L472-I577 HydrophobicContact CD1-CG2 3.57Å; L472-I581 HydrophobicContact CD1-CD1 3.63Å
473	Y	93.9	Very high	93.5	Very high	30 Å²	30	52.4 Å²	52.4	12%	0.118	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	49.9	-173	-54.1	-67.7	0	0	0	112.1	N418 K421 V422 K475 D574 Q578	N418-Y473 HydrophobicContact CB-CD2 4.36Å; K421-Y473 HydrophobicContact CB-CD1 4.11Å; K421-Y473 HydrophobicContact CB-CD2 3.59Å; K421-Y473 HydrophobicContact CB-CE1 4.17Å; K421-Y473 HydrophobicContact CB-CE2 3.67Å; K421-Y473 HydrophobicContact CB-CG 3.84Å; K421-Y473 HydrophobicContact CD-CD1 3.52Å; K421-Y473 HydrophobicContact CD-CD2 4.41Å; K421-Y473 HydrophobicContact CD-CE1 3.99Å; K421-Y473 HydrophobicContact CD-CG 3.78Å; K421-Y473 HydrophobicContact CG-CD1 4.47Å; K421-Y473 HydrophobicContact CG-CG 4.45Å; V422-Y473 HydrophobicContact CG2-CD2 3.81Å; V422-Y473 HydrophobicContact CG2-CE2 3.93Å; Y473-K475 PolarHBondContact O-N 3.44Å; Y473-D574 PolarHBondContact N-OD1 3.1Å; Y473-Q578 HydrophobicContact CD1-CG 3.69Å; Y473-Q578 VanDerWaalsContact CD1-OE1 3.29Å; Y473-Q578 HydrophobicContact CE1-CB 4.29Å; Y473-Q578 HydrophobicContact CE1-CG 3.49Å; Y473-Q578 VanDerWaalsContact CE1-CG 3.49Å; Y473-Q578 HydrophobicContact CG-CG 4.48Å
474	G	90.8	Very high	92.7	Very high	58 Å²	58	57.2 Å²	57.2	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-4	-179.6	0	0	0	0	0	115.9	L472 D574	L472-G474 VanDerWaalsContact C-N 3.35Å; L472-G474 PolarHBondContact O-N 2.89Å; G474-D574 PolarHBondContact N-OD2 3.34Å
475	K	93.1	Very high	91.8	Very high	64 Å²	64	57.2 Å²	57.2	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.4	-177.5	-61.1	-175.9	71.6	-177.3	0	111.1	N416 L417 N418 L472 Y473 L477	N416-K475 WeakPolarHBondContact O-CB 3.41Å; N416-K475 WeakPolarHBondContact O-CE 3.45Å; N416-K475 WeakPolarHBondContact OD1-CE 3.37Å; L417-K475 PolarHBondContact O-NZ 3.24Å; N418-K475 HydrophobicContact CB-CD 4.2Å; L472-K475 PolarHBondContact N-O 3.36Å; L472-K475 PolarHBondContact O-N 3.35Å; Y473-K475 PolarHBondContact O-N 3.44Å; K475-L477 PolarHBondContact O-N 2.9Å
476	P	94.8	Very high	91.3	Very high	62 Å²	62	55 Å²	55	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	123.1	177.5	26.9	-33.4	0	0	0	110.5	N416 G469 Q470 K478	N416-P476 PolarHBondContact ND2-O 3.22Å; G469-P476 WeakPolarHBondContact O-CB 3.35Å; Q470-P476 CarbonylContact O-C 3.6Å; Q470-P476 WeakPolarHBondContact O-CA 3.48Å; P476-K478 PolarHBondContact O-N 2.78Å
477	L	96.3	Very high	90.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.291	C	S	.	.			trans	-60.3	130.6	176.8	-66.8	179.1	0	0	0	110.4	V414 L417 L430 L467 N468 G469 Q470 L472 K475 I479	V414-L477 HydrophobicContact CG1-CD2 4.05Å; L417-L477 HydrophobicContact CD2-CD2 3.48Å; L417-L477 VanDerWaalsContact CD2-CD2 3.48Å; L430-L477 HydrophobicContact CD2-CD1 4.17Å; L467-L477 HydrophobicContact CB-CD1 4.44Å; N468-L477 PolarHBondContact OD1-O 2.86Å; G469-L477 WeakPolarHBondContact CA-O 2.95Å; G469-L477 PolarHBondContact N-O 3.49Å; Q470-L477 WeakPolarHBondContact O-CG 3.4Å; Q470-L477 PolarHBondContact O-N 2.87Å; L472-L477 HydrophobicContact CB-CD1 4.32Å; L472-L477 HydrophobicContact CB-CD2 3.91Å; L472-L477 HydrophobicContact CB-CG 4.03Å; L472-L477 HydrophobicContact CD2-CD2 3.92Å; K475-L477 PolarHBondContact O-N 2.9Å; L477-I479 HydrophobicContact CB-CD1 4.36Å; L477-I479 HydrophobicContact CB-CG1 4.14Å; L477-I479 HydrophobicContact CD1-CD1 4.46Å
478	K	95.3	Very high	90	Very high	129 Å²	129	58.5 Å²	58.5	56%	0.561	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	98.3	172.2	-73	-174.9	-179.2	-175.9	0	108.8	S415 N416 P476	S415-K478 PolarHBondContact N-O 2.8Å; S415-K478 PolarHBondContact O-N 3.23Å; S415-K478 VanDerWaalsContact OG-CB 3.25Å; S415-K478 WeakPolarHBondContact OG-CB 3.31Å; S415-K478 PolarHBondContact OG-O 3.36Å; N416-K478 HydrophobicContact CB-CB 4.48Å; N416-K478 HydrophobicContact CB-CD 4.45Å; N416-K478 HydrophobicContact CB-CG 4.34Å; P476-K478 PolarHBondContact O-N 2.78Å
479	I	95.7	Very high	89.1	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	-175.2	-47.6	178.5	0	0	0	108.7	L412 I413 V414 F431 L464 L467 N468 L477	L412-I479 HydrophobicContact CB-CG2 3.93Å; L412-I479 HydrophobicContact CD1-CG2 3.9Å; L412-I479 HydrophobicContact CG-CG2 4.34Å; I413-I479 WeakPolarHBondContact O-CA 3.36Å; V414-I479 HydrophobicContact CG1-CG1 4.26Å; V414-I479 HydrophobicContact CG2-CG1 4.49Å; V414-I479 HydrophobicContact CG2-CG2 4.38Å; F431-I479 HydrophobicContact CE1-CD1 3.92Å; F431-I479 HydrophobicContact CZ-CD1 3.69Å; F431-I479 HydrophobicContact CZ-CG1 4.46Å; L464-I479 HydrophobicContact CD1-CB 3.83Å; L464-I479 HydrophobicContact CD1-CG2 3.58Å; L464-I479 VanDerWaalsContact CD1-O 3.3Å; L464-I479 WeakPolarHBondContact CD1-O 3.3Å; L467-I479 HydrophobicContact CB-CD1 3.38Å; N468-I479 HydrophobicContact CB-CB 4.19Å; N468-I479 HydrophobicContact CB-CG1 4.47Å; N468-I479 PolarHBondContact OD1-N 3.08Å; N468-I479 PolarHBondContact OD1-O 2.86Å; L477-I479 HydrophobicContact CB-CD1 4.36Å; L477-I479 HydrophobicContact CB-CG1 4.14Å; L477-I479 HydrophobicContact CD1-CD1 4.46Å
480	A	92.4	Very high	87.8	Confident	47 Å²	47	58.3 Å²	58.3	39%	0.388	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	164.4	171.4	0	0	0	0	0	110.1	L412 I413 S482	L412-A480 CarbonylContact C-O 3.6Å; L412-A480 WeakPolarHBondContact CA-O 3.46Å; I413-A480 HydrophobicContact CG2-CB 3.94Å; I413-A480 PolarHBondContact N-O 3.08Å; I413-A480 PolarHBondContact O-N 3.08Å; A480-S482 PolarHBondContact O-N 2.8Å
481	V	91.3	Very high	85.9	Confident	68 Å²	68	65.8 Å²	65.8	41%	0.412	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.9	168.1	-177.4	0	0	0	0	108.8	L464	L464-V481 HydrophobicContact CD2-CG2 4.01Å
482	S	89.6	Confident	83.9	Confident	7 Å²	7	70.6 Å²	70.6	5%	0.049	36%	0.355	C	S	.	.			trans	-75.5	148.6	179.7	-178.2	0	0	0	0	111.4	V411 A480 F484	V411-S482 WeakPolarHBondContact O-CB 3.21Å; V411-S482 PolarHBondContact O-N 2.99Å; A480-S482 PolarHBondContact O-N 2.8Å; S482-F484 VanDerWaalsContact C-N 3.28Å; S482-F484 WeakPolarHBondContact CB-O 3.28Å; S482-F484 PolarHBondContact OG-N 3.04Å; S482-F484 PolarHBondContact OG-O 3.32Å; S482-F484 VanDerWaalsContact OG-O 3.12Å
483	R	82.6	Confident	81.7	Confident	222 Å²	222	78.7 Å²	78.7	84%	0.838	40%	0.399	S	S	*	.	S	Bend	trans	-75.3	-20	167.7	-61.5	-177.5	-176.3	176.2	0.8	112.5
484	F	79.5	Confident	79.7	Confident	102 Å²	102	83.6 Å²	83.6	45%	0.447	43%	0.427	S	S	.	.			trans	-87.6	133.1	170.8	-53.2	-75.2	0	0	0	108.8	M175 V411 L451 S482	M175-F484 HydrophobicContact CE-CD1 4.47Å; V411-F484 WeakPolarHBondContact CB-O 3.38Å; V411-F484 WeakPolarHBondContact CG2-O 3.18Å; L451-F484 HydrophobicContact CD1-CB 4.45Å; L451-F484 HydrophobicContact CD1-CD2 3.67Å; L451-F484 HydrophobicContact CD1-CE2 4.25Å; L451-F484 HydrophobicContact CD1-CG 4.27Å; L451-F484 HydrophobicContact CD2-CD2 4.15Å; S482-F484 VanDerWaalsContact C-N 3.28Å; S482-F484 WeakPolarHBondContact CB-O 3.28Å; S482-F484 PolarHBondContact OG-N 3.04Å; S482-F484 PolarHBondContact OG-O 3.32Å; S482-F484 VanDerWaalsContact OG-O 3.12Å
485	N	75.2	Confident	78	Confident	33 Å²	33	84.5 Å²	84.5	18%	0.176	42%	0.418	C	S	.	.	S	Bend	trans	-104.1	2.4	177.6	-59.9	-61.9	0	0	0	113.8	G233 S409 V411	G233-N485 VanDerWaalsContact CA-CB 3.45Å; G233-N485 VanDerWaalsContact O-CB 3.25Å; G233-N485 WeakPolarHBondContact O-CB 3.3Å; G233-N485 PolarHBondContact O-ND2 3.4Å; S409-N485 WeakPolarHBondContact CB-OD1 3.36Å; S409-N485 PolarHBondContact OG-OD1 2.64Å; V411-N485 WeakPolarHBondContact CG2-O 3.49Å
486	I	84.7	Confident	76.7	Confident	74 Å²	74	87 Å²	87	38%	0.379	44%	0.438	S	S	.	.	S	Bend	trans	-142.5	138.3	168.6	-171.6	167.8	0	0	0	109.7	M175 Q488	M175-I486 HydrophobicContact CE-CG2 3.96Å; I486-Q488 PolarHBondContact O-N 3.16Å
487	V	82	Confident	75.9	Confident	1 Å²	1	86.3 Å²	86.3	1%	0.006	44%	0.443	C	S	.	.			trans	-82.5	114.3	170	170.9	0	0	0	0	108.5	V411 R439 K441 L451 Q453 T499	V411-V487 HydrophobicContact CG1-CG2 4.1Å; R439-V487 HydrophobicContact CB-CB 3.8Å; R439-V487 HydrophobicContact CB-CG1 3.86Å; R439-V487 HydrophobicContact CB-CG2 4.49Å; R439-V487 VanDerWaalsContact CD-O 3.23Å; R439-V487 WeakPolarHBondContact CD-O 3.4Å; R439-V487 PolarHBondContact NH1-O 3.31Å; R439-V487 VanDerWaalsContact NH1-O 3.07Å; K441-V487 HydrophobicContact CB-CG1 3.46Å; K441-V487 VanDerWaalsContact CB-CG1 3.46Å; K441-V487 HydrophobicContact CD-CG1 4.12Å; K441-V487 HydrophobicContact CG-CG1 4.44Å; L451-V487 HydrophobicContact CB-CG2 3.68Å; Q453-V487 HydrophobicContact CB-CB 4.3Å; Q453-V487 HydrophobicContact CB-CG2 3.86Å; V487-T499 HydrophobicContact CG1-CG2 4.43Å
488	Q	79.6	Confident	75.4	Confident	104 Å²	104	87.6 Å²	87.6	49%	0.486	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-79.3	125	177.1	-65.9	-178.2	-4.4	0	0	110.7	K441 I486	K441-Q488 WeakPolarHBondContact CD-O 3.17Å; K441-Q488 PolarHBondContact NZ-O 3.46Å; I486-Q488 PolarHBondContact O-N 3.16Å
489	L	74.9	Confident	75.1	Confident	73 Å²	73	82 Å²	82	38%	0.382	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.2	153.9	168.5	-70.7	163.4	0	0	0	110.9	T499 D501	L489-T499 HydrophobicContact CD2-CG2 4.14Å; L489-D501 HydrophobicContact CD2-CB 4.2Å
490	P	66.7	Low	74.8	Confident	51 Å²	51	85.8 Å²	85.8	33%	0.331	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-56.3	149.6	166.9	-21.6	35.1	0	0	0	110.6	D495	P490-D495 HydrophobicContact CG-CB 4.5Å
491	K	56.6	Low	74.7	Confident	202 Å²	202	86.6 Å²	86.6	88%	0.878	44%	0.44	S	S	*	.	S	Bend	trans	-97.8	-3.3	178.6	-68.1	-173.3	176.5	-175.9	0	113.4
492	E	51	Low	74.8	Confident	141 Å²	141	83.9 Å²	83.9	66%	0.659	42%	0.423	S	S	*	.	S	Bend	trans	-148.9	154.6	-172.5	-63	179.7	174.8	0	0	109.7	N494	E492-N494 PolarHBondContact O-N 3.2Å
493	D	50.8	Low	74.8	Confident	173 Å²	173	86.3 Å²	86.3	93%	0.925	44%	0.438	S	S	*	.	S	Bend	trans	-67	12.7	-176.1	-73.1	-44.6	0	0	0	115.8	D495	D493-D495 PolarHBondContact O-N 3.37Å
494	N	51.3	Low	75.1	Confident	133 Å²	133	82.5 Å²	82.5	71%	0.711	43%	0.434	S	S	*	.			trans	-76.3	31.3	174.3	-73.6	-53.4	0	0	0	112.8	E492 V496	E492-N494 PolarHBondContact O-N 3.2Å; N494-V496 PolarHBondContact O-N 3.49Å
495	D	54.3	Low	75.5	Confident	77 Å²	77	78.5 Å²	78.5	41%	0.412	42%	0.418	S	S	.	.			trans	-82	104.1	-170.3	-157.9	-8.8	0	0	0	111.9	P490 D493 G497 L498	P490-D495 HydrophobicContact CG-CB 4.5Å; D493-D495 PolarHBondContact O-N 3.37Å; D495-G497 PolarHBondContact O-N 2.89Å; D495-G497 PolarHBondContact OD1-N 2.94Å; D495-L498 PolarHBondContact OD1-N 3.14Å
496	V	66.7	Low	76.1	Confident	116 Å²	116	82.2 Å²	82.2	70%	0.703	44%	0.444	S	S	*	.			trans	-73.5	25.8	176.7	-159.9	0	0	0	0	111.7	N494 L498	N494-V496 PolarHBondContact O-N 3.49Å; V496-L498 HydrophobicContact CB-CD1 4.27Å; V496-L498 HydrophobicContact CB-CG 4.16Å; V496-L498 PolarHBondContact O-N 3.08Å
497	G	77.7	Confident	76.2	Confident	49 Å²	49	81.3 Å²	81.3	51%	0.505	44%	0.44	S	S	.	.	S	Bend	trans	61.4	22.8	-174.4	0	0	0	0	0	113.9	P424 D495	P424-G497 VanDerWaalsContact CG-O 3.31Å; P424-G497 WeakPolarHBondContact CG-O 3.38Å; D495-G497 PolarHBondContact O-N 2.89Å; D495-G497 PolarHBondContact OD1-N 2.94Å
498	L	85.6	Confident	76.5	Confident	28 Å²	28	82.1 Å²	82.1	15%	0.147	44%	0.444	C	S	.	.			trans	-91.7	-17.4	-175.4	-66.5	178.7	0	0	0	112.9	K441 I442 F444 D495 V496	K441-L498 CarbonylContact C-O 3.59Å; K441-L498 WeakPolarHBondContact CA-O 3.5Å; I442-L498 HydrophobicContact CB-CB 4.32Å; I442-L498 HydrophobicContact CB-CD2 4.05Å; I442-L498 HydrophobicContact CG2-CD2 4.06Å; I442-L498 PolarHBondContact N-O 2.83Å; F444-L498 HydrophobicContact CB-CD1 4.06Å; D495-L498 PolarHBondContact OD1-N 3.14Å; V496-L498 HydrophobicContact CB-CD1 4.27Å; V496-L498 HydrophobicContact CB-CG 4.16Å; V496-L498 PolarHBondContact O-N 3.08Å
499	T	88.2	Confident	76.9	Confident	12 Å²	12	78.6 Å²	78.6	7%	0.074	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.6	173.8	-47	0	0	0	0	110	V440 K441 V487 L489	V440-T499 CarbonylContact O-C 3.54Å; V440-T499 WeakPolarHBondContact O-CA 3.35Å; K441-T499 HydrophobicContact CB-CG2 3.98Å; K441-T499 HydrophobicContact CD-CG2 4.21Å; K441-T499 HydrophobicContact CG-CG2 4.18Å; K441-T499 WeakPolarHBondContact CG-OG1 3.18Å; V487-T499 HydrophobicContact CG1-CG2 4.43Å; L489-T499 HydrophobicContact CD2-CG2 4.14Å
500	K	89.9	Confident	77.4	Confident	88 Å²	88	75.5 Å²	75.5	38%	0.383	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	137.4	177.9	-167.5	158	169.1	-171.7	0	111.5	P424 D425 V440 Y502	P424-K500 HydrophobicContact CB-CB 4.15Å; D425-K500 VanDerWaalsContact OD1-CE 3.31Å; D425-K500 WeakPolarHBondContact OD1-CE 3.38Å; D425-K500 IonicContact OD1-NZ 3.67Å; D425-K500 PolarHBondContact OD1-NZ 2.8Å; D425-K500 IonicContact OD2-NZ 3.66Å; D425-K500 PolarHBondContact OD2-NZ 3.01Å; V440-K500 PolarHBondContact N-O 3.41Å; V440-K500 PolarHBondContact O-N 3.27Å; K500-Y502 HydrophobicContact CB-CE2 3.72Å; K500-Y502 HydrophobicContact CD-CE1 4.04Å; K500-Y502 WeakPolarHBondContact CD-OH 3.15Å; K500-Y502 HydrophobicContact CG-CE1 4Å; K500-Y502 HydrophobicContact CG-CE2 3.93Å; K500-Y502 WeakPolarHBondContact O-CD2 3.28Å
501	D	91.3	Very high	78	Confident	64 Å²	64	78.7 Å²	78.7	34%	0.342	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.6	174.8	-156.5	-43.9	0	0	0	109.9	R439 L489 T503	R439-D501 IonicContact CZ-OD2 3.74Å; R439-D501 VanDerWaalsContact CZ-OD2 3.24Å; R439-D501 IonicContact NE-OD2 3.17Å; R439-D501 PolarHBondContact NE-OD2 3.32Å; R439-D501 IonicContact NH2-OD2 2.74Å; R439-D501 PolarHBondContact NH2-OD2 3.16Å; L489-D501 HydrophobicContact CD2-CB 4.2Å; D501-T503 WeakPolarHBondContact OD1-CB 3.49Å; D501-T503 PolarHBondContact OD1-N 3.19Å; D501-T503 PolarHBondContact OD1-OG1 3.13Å
502	Y	92.9	Very high	78.8	Confident	11 Å²	11	77 Å²	77	4%	0.043	41%	0.407	C	S	.	.			trans	-122.6	6.6	-179.9	-58.7	-83.7	0	0	0	111.8	P424 D425 F428 V437 T438 V440 K500 N504 S505 H508	P424-Y502 PolarHBondContact O-OH 3.46Å; D425-Y502 VanDerWaalsContact CA-OH 3.32Å; D425-Y502 WeakPolarHBondContact CA-OH 3.45Å; D425-Y502 PolarHBondContact N-OH 2.95Å; D425-Y502 VanDerWaalsContact N-OH 3.14Å; D425-Y502 WeakPolarHBondContact OD1-CE1 3.2Å; D425-Y502 VanDerWaalsContact OD1-CZ 3.31Å; D425-Y502 PolarHBondContact OD1-OH 2.96Å; F428-Y502 HydrophobicContact CB-CD1 4.2Å; F428-Y502 HydrophobicContact CB-CD2 4.23Å; F428-Y502 HydrophobicContact CB-CE1 3.77Å; F428-Y502 HydrophobicContact CB-CE2 3.82Å; F428-Y502 HydrophobicContact CB-CG 4.39Å; F428-Y502 HydrophobicContact CD1-CD1 4.04Å; F428-Y502 AromaticContact CD1-CE1 3.97Å; F428-Y502 HydrophobicContact CD1-CE1 3.97Å; F428-Y502 AromaticContact CD2-CD1 3.39Å; F428-Y502 HydrophobicContact CD2-CD1 3.39Å; F428-Y502 AromaticContact CD2-CD2 3.72Å; F428-Y502 HydrophobicContact CD2-CD2 3.72Å; F428-Y502 AromaticContact CD2-CE1 3.88Å; F428-Y502 HydrophobicContact CD2-CE1 3.88Å; F428-Y502 HydrophobicContact CD2-CE2 4.18Å; F428-Y502 AromaticContact CD2-CG 3.29Å; F428-Y502 HydrophobicContact CD2-CG 3.29Å; F428-Y502 HydrophobicContact CE1-CD1 4.34Å; F428-Y502 AromaticContact CE2-CD1 3.74Å; F428-Y502 HydrophobicContact CE2-CD1 3.74Å; F428-Y502 AromaticContact CE2-CG 3.71Å; F428-Y502 HydrophobicContact CE2-CG 3.71Å; F428-Y502 AromaticContact CG-CD1 3.57Å; F428-Y502 HydrophobicContact CG-CD1 3.57Å; F428-Y502 HydrophobicContact CG-CD2 4.19Å; F428-Y502 AromaticContact CG-CE1 3.56Å; F428-Y502 HydrophobicContact CG-CE1 3.56Å; F428-Y502 HydrophobicContact CG-CE2 4.2Å; F428-Y502 AromaticContact CG-CG 3.88Å; F428-Y502 HydrophobicContact CG-CG 3.88Å; F428-Y502 AromaticContact CG-CZ 3.88Å; F428-Y502 HydrophobicContact CZ-CD1 4.21Å; V437-Y502 VanDerWaalsContact O-CB 3.28Å; V437-Y502 WeakPolarHBondContact O-CB 3.32Å; T438-Y502 CarbonylContact O-C 3.54Å; T438-Y502 WeakPolarHBondContact O-CA 3.39Å; T438-Y502 PolarHBondContact O-N 2.84Å; V440-Y502 HydrophobicContact CB-CE2 3.96Å; V440-Y502 HydrophobicContact CG2-CD2 4.21Å; V440-Y502 HydrophobicContact CG2-CE2 3.75Å; K500-Y502 HydrophobicContact CB-CE2 3.72Å; K500-Y502 HydrophobicContact CD-CE1 4.04Å; K500-Y502 WeakPolarHBondContact CD-OH 3.15Å; K500-Y502 HydrophobicContact CG-CE1 4Å; K500-Y502 HydrophobicContact CG-CE2 3.93Å; K500-Y502 WeakPolarHBondContact O-CD2 3.28Å; Y502-N504 PolarHBondContact O-N 2.9Å; Y502-S505 WeakPolarHBondContact O-CB 3.25Å; Y502-S505 PolarHBondContact O-N 2.84Å; Y502-H508 PolarHBondContact O-NE2 2.82Å
503	T	90	Very high	79.4	Confident	59 Å²	59	75.6 Å²	75.6	36%	0.362	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-36.5	-178.7	-56.8	0	0	0	0	111.6	T438 D501 R511	T438-T503 PolarHBondContact O-N 2.82Å; T438-T503 PolarHBondContact O-OG1 2.95Å; D501-T503 WeakPolarHBondContact OD1-CB 3.49Å; D501-T503 PolarHBondContact OD1-N 3.19Å; D501-T503 PolarHBondContact OD1-OG1 3.13Å; T503-R511 PolarHBondContact O-NH2 3.22Å
504	N	87.8	Confident	79.8	Confident	142 Å²	142	75.3 Å²	75.3	76%	0.759	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.7	179	-72	-29.7	0	0	0	115.8	Y502 R511	Y502-N504 PolarHBondContact O-N 2.9Å; N504-R511 PolarHBondContact O-NH1 3.17Å; N504-R511 PolarHBondContact O-NH2 2.78Å; N504-R511 VanDerWaalsContact O-NH2 3.13Å
505	S	89	Confident	80.8	Confident	17 Å²	17	70.2 Å²	70.2	12%	0.119	38%	0.384	C	S	.	.			trans	-53.5	131	-172.1	-177.2	0	0	0	0	114.5	F428 Y502 L507 H508 R511	F428-S505 WeakPolarHBondContact CZ-OG 3.45Å; Y502-S505 WeakPolarHBondContact O-CB 3.25Å; Y502-S505 PolarHBondContact O-N 2.84Å; S505-L507 PolarHBondContact O-N 2.75Å; S505-L507 PolarHBondContact OG-N 2.91Å; S505-H508 PolarHBondContact O-CD2 3.44Å; S505-R511 VanDerWaalsContact O-CZ 3.23Å; S505-R511 PolarHBondContact O-NH1 2.73Å
506	P	86.6	Confident	81.9	Confident	111 Å²	111	74.6 Å²	74.6	72%	0.721	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.8	175.8	31.8	-36.1	0	0	0	113.3	H508	P506-H508 VanDerWaalsContact C-N 3.25Å; P506-H508 PolarHBondContact O-N 3.27Å
507	L	87.5	Confident	82.5	Confident	55 Å²	55	71.8 Å²	71.8	29%	0.288	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.8	-178.7	-57.5	179.7	0	0	0	113.4	F428 S505 R509 N585	F428-L507 HydrophobicContact CE1-CB 3.79Å; F428-L507 HydrophobicContact CE1-CD1 3.97Å; F428-L507 HydrophobicContact CE1-CG 4.49Å; F428-L507 HydrophobicContact CZ-CB 3.93Å; S505-L507 PolarHBondContact O-N 2.75Å; S505-L507 PolarHBondContact OG-N 2.91Å; L507-R509 PolarHBondContact O-N 2.92Å; L507-N585 HydrophobicContact CD2-CB 3.99Å; L507-N585 VanDerWaalsContact CD2-CG 3.43Å; L507-N585 WeakPolarHBondContact CD2-OD1 3.42Å
508	H	88.9	Confident	82.6	Confident	19 Å²	19	74.2 Å²	74.2	9%	0.088	38%	0.377	C	S	.	.			trans	-57.9	132.2	175.9	-83.9	-44.4	0	0	0	113.1	F428 D436 V437 Y502 S505 P506 R511	F428-H508 AromaticContact CE2-CE1 3.72Å; D436-H508 VanDerWaalsContact CA-ND1 3.32Å; D436-H508 WeakPolarHBondContact CA-ND1 3.35Å; D436-H508 HydrophobicContact CB-CB 4.49Å; D436-H508 VanDerWaalsContact CB-ND1 3.3Å; D436-H508 WeakPolarHBondContact CB-ND1 3.41Å; D436-H508 WeakPolarHBondContact OD1-CB 3.41Å; D436-H508 IonicContact OD1-CG 3.76Å; D436-H508 IonicContact OD1-ND1 2.74Å; D436-H508 PolarHBondContact OD1-ND1 3.47Å; V437-H508 PolarHBondContact N-CE1 3.37Å; V437-H508 PolarHBondContact O-CE1 2.8Å; V437-H508 PolarHBondContact O-NE2 3.47Å; Y502-H508 PolarHBondContact O-NE2 2.82Å; S505-H508 PolarHBondContact O-CD2 3.44Å; P506-H508 VanDerWaalsContact C-N 3.25Å; P506-H508 PolarHBondContact O-N 3.27Å; H508-R511 HydrophobicContact CB-CB 4.48Å; H508-R511 HydrophobicContact CB-CG 3.76Å; H508-R511 PolarHBondContact CD2-NE 2.87Å
509	R	86.7	Confident	82.3	Confident	30 Å²	30	77.9 Å²	77.9	11%	0.113	40%	0.401	C	S	.	.	S	Bend	trans	-97.8	-21.9	-170.3	-57	-171.3	-177.4	-156.1	5.6	112.4	G432 D436 L507 N517 H584 I596 S597	G432-R509 VanDerWaalsContact O-CD 3.31Å; G432-R509 WeakPolarHBondContact O-CD 3.44Å; D436-R509 PolarHBondContact OD1-N 3.49Å; L507-R509 PolarHBondContact O-N 2.92Å; R509-N517 PolarHBondContact O-ND2 2.73Å; R509-H584 PolarHBondContact NH2-CD2 3.44Å; R509-H584 VanDerWaalsContact NH2-CD2 3.29Å; R509-H584 PolarHBondContact NH2-CE1 2.8Å; R509-H584 PolarHBondContact NH2-ND1 3.5Å; R509-H584 PolarHBondContact NH2-NE2 3.19Å; R509-I596 VanDerWaalsContact CZ-O 3.3Å; R509-I596 PolarHBondContact NH1-O 2.96Å; R509-I596 PolarHBondContact NH2-O 2.89Å; R509-S597 PolarHBondContact NH1-OG 3.35Å
510	F	85.6	Confident	82.1	Confident	8 Å²	8	80.8 Å²	80.8	4%	0.035	42%	0.416	C	S	.	.	S	Bend	trans	-109.4	-14.2	-169	-60.9	-85.3	0	0	0	114	V433 G435 D436 K512 N517 F518 I521	V433-F510 WeakPolarHBondContact O-CZ 3.32Å; G435-F510 VanDerWaalsContact CA-CD2 3.45Å; G435-F510 VanDerWaalsContact N-CE2 3.31Å; D436-F510 WeakPolarHBondContact OD1-CB 3.37Å; D436-F510 PolarHBondContact OD1-N 2.87Å; D436-F510 VanDerWaalsContact OD2-C 3.3Å; F510-K512 CarbonylContact O-C 3.41Å; F510-K512 PolarHBondContact O-N 3.47Å; F510-N517 HydrophobicContact CD1-CB 4.08Å; F510-N517 HydrophobicContact CE1-CB 3.76Å; F510-N517 HydrophobicContact CZ-CB 4.31Å; F510-F518 HydrophobicContact CB-CE1 4Å; F510-F518 HydrophobicContact CB-CE2 4.19Å; F510-F518 HydrophobicContact CB-CZ 3.64Å; F510-F518 AromaticContact CD1-CD1 3.71Å; F510-F518 HydrophobicContact CD1-CD1 3.71Å; F510-F518 HydrophobicContact CD1-CD2 4.21Å; F510-F518 AromaticContact CD1-CE1 3.7Å; F510-F518 HydrophobicContact CD1-CE1 3.7Å; F510-F518 HydrophobicContact CD1-CE2 4.18Å; F510-F518 AromaticContact CD1-CG 3.98Å; F510-F518 HydrophobicContact CD1-CG 3.98Å; F510-F518 AromaticContact CD1-CZ 3.94Å; F510-F518 HydrophobicContact CD1-CZ 3.94Å; F510-F518 HydrophobicContact CE1-CD1 4.32Å; F510-F518 HydrophobicContact CG-CE1 4.25Å; F510-F518 HydrophobicContact CG-CZ 4.28Å; F510-F518 WeakPolarHBondContact O-CE2 3.37Å; F510-F518 WeakPolarHBondContact O-CZ 3.31Å; F510-I521 HydrophobicContact CE1-CD1 3.82Å; F510-I521 HydrophobicContact CE1-CG1 4.16Å; F510-I521 HydrophobicContact CZ-CD1 3.97Å; F510-I521 HydrophobicContact CZ-CG1 4.19Å
511	R	79.3	Confident	82	Confident	118 Å²	118	78.5 Å²	78.5	45%	0.445	41%	0.407	S	S	.	.			trans	-43.7	-30.2	174.6	-85.3	-178.3	175	-171.6	-13.9	117.5	D436 T503 N504 S505 H508 P513	D436-R511 WeakPolarHBondContact OD2-CG 3.3Å; D436-R511 PolarHBondContact OD2-N 3.33Å; T503-R511 PolarHBondContact O-NH2 3.22Å; N504-R511 PolarHBondContact O-NH1 3.17Å; N504-R511 PolarHBondContact O-NH2 2.78Å; N504-R511 VanDerWaalsContact O-NH2 3.13Å; S505-R511 VanDerWaalsContact O-CZ 3.23Å; S505-R511 PolarHBondContact O-NH1 2.73Å; H508-R511 HydrophobicContact CB-CB 4.48Å; H508-R511 HydrophobicContact CB-CG 3.76Å; H508-R511 PolarHBondContact CD2-NE 2.87Å; R511-P513 VanDerWaalsContact O-CD 3.24Å; R511-P513 WeakPolarHBondContact O-CD 3.17Å
512	K	73.9	Confident	82	Confident	166 Å²	166	78.4 Å²	78.4	72%	0.722	40%	0.403	S	S	*	.	S	Bend	trans	-82.4	110.3	176	-72.2	-170.4	177.8	-173.3	0	108.4	F510 N514 S515	F510-K512 CarbonylContact O-C 3.41Å; F510-K512 PolarHBondContact O-N 3.47Å; K512-N514 PolarHBondContact O-N 2.83Å; K512-S515 VanDerWaalsContact O-CB 3.23Å; K512-S515 WeakPolarHBondContact O-CB 3.39Å; K512-S515 PolarHBondContact O-N 3.07Å
513	P	62.5	Low	81.9	Confident	112 Å²	112	80.1 Å²	80.1	73%	0.727	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	141.2	174.2	24.4	-33.3	0	0	0	109.6	R511 S515	R511-P513 VanDerWaalsContact O-CD 3.24Å; R511-P513 WeakPolarHBondContact O-CD 3.17Å; P513-S515 VanDerWaalsContact C-N 3.29Å; P513-S515 PolarHBondContact O-N 3Å
514	N	60.8	Low	82.1	Confident	166 Å²	166	77.9 Å²	77.9	89%	0.888	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	22.6	-172.4	-51.8	-30.8	0	0	0	115.6	K512	K512-N514 PolarHBondContact O-N 2.83Å
515	S	71.1	Confident	82.3	Confident	26 Å²	26	73.1 Å²	73.1	18%	0.182	38%	0.38	C	S	.	.			trans	-60.1	138.6	170.9	-177.7	0	0	0	0	112.1	K512 P513 N517 F518	K512-S515 VanDerWaalsContact O-CB 3.23Å; K512-S515 WeakPolarHBondContact O-CB 3.39Å; K512-S515 PolarHBondContact O-N 3.07Å; P513-S515 VanDerWaalsContact C-N 3.29Å; P513-S515 PolarHBondContact O-N 3Å; S515-N517 PolarHBondContact O-N 2.85Å; S515-N517 WeakPolarHBondContact OG-CB 3.43Å; S515-N517 PolarHBondContact OG-N 2.95Å; S515-N517 PolarHBondContact OG-ND2 3.42Å; S515-F518 WeakPolarHBondContact O-CD2 3.31Å; S515-F518 PolarHBondContact O-N 3.15Å
516	K	78.1	Confident	82.5	Confident	169 Å²	169	75 Å²	75	74%	0.735	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-59.9	-11.4	170.4	-66.8	-174	179.5	-177.4	0	113.2	F518 T519 N520	K516-F518 VanDerWaalsContact C-N 3.32Å; K516-T519 PolarHBondContact O-N 3.24Å; K516-T519 PolarHBondContact O-OG1 2.78Å; K516-N520 PolarHBondContact O-N 2.91Å; K516-N520 PolarHBondContact O-ND2 2.61Å
517	N	79.3	Confident	83	Confident	58 Å²	58	69.8 Å²	69.8	31%	0.31	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-65.6	-35.4	176.5	-62.6	-17.9	0	0	0	111.7	R509 F510 S515 T519 N520 I521	R509-N517 PolarHBondContact O-ND2 2.73Å; F510-N517 HydrophobicContact CD1-CB 4.08Å; F510-N517 HydrophobicContact CE1-CB 3.76Å; F510-N517 HydrophobicContact CZ-CB 4.31Å; S515-N517 PolarHBondContact O-N 2.85Å; S515-N517 WeakPolarHBondContact OG-CB 3.43Å; S515-N517 PolarHBondContact OG-N 2.95Å; S515-N517 PolarHBondContact OG-ND2 3.42Å; N517-T519 PolarHBondContact O-N 3.5Å; N517-N520 CarbonylContact O-C 3.57Å; N517-N520 PolarHBondContact O-N 3.07Å; N517-I521 WeakPolarHBondContact O-CG1 3.48Å
518	F	79.1	Confident	83.4	Confident	99 Å²	99	67.1 Å²	67.1	43%	0.434	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.7	-26.2	176.2	-68.9	-79.7	0	0	0	113.2	F510 S515 K516	F510-F518 HydrophobicContact CB-CE1 4Å; F510-F518 HydrophobicContact CB-CE2 4.19Å; F510-F518 HydrophobicContact CB-CZ 3.64Å; F510-F518 AromaticContact CD1-CD1 3.71Å; F510-F518 HydrophobicContact CD1-CD1 3.71Å; F510-F518 HydrophobicContact CD1-CD2 4.21Å; F510-F518 AromaticContact CD1-CE1 3.7Å; F510-F518 HydrophobicContact CD1-CE1 3.7Å; F510-F518 HydrophobicContact CD1-CE2 4.18Å; F510-F518 AromaticContact CD1-CG 3.98Å; F510-F518 HydrophobicContact CD1-CG 3.98Å; F510-F518 AromaticContact CD1-CZ 3.94Å; F510-F518 HydrophobicContact CD1-CZ 3.94Å; F510-F518 HydrophobicContact CE1-CD1 4.32Å; F510-F518 HydrophobicContact CG-CE1 4.25Å; F510-F518 HydrophobicContact CG-CZ 4.28Å; F510-F518 WeakPolarHBondContact O-CE2 3.37Å; F510-F518 WeakPolarHBondContact O-CZ 3.31Å; S515-F518 WeakPolarHBondContact O-CD2 3.31Å; S515-F518 PolarHBondContact O-N 3.15Å; K516-F518 VanDerWaalsContact C-N 3.32Å
519	T	80.7	Confident	83.6	Confident	105 Å²	105	68.6 Å²	68.6	64%	0.644	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-94.7	-1	177.4	59.9	0	0	0	0	113.7	K516 N517	K516-T519 PolarHBondContact O-N 3.24Å; K516-T519 PolarHBondContact O-OG1 2.78Å; N517-T519 PolarHBondContact O-N 3.5Å
520	N	83.9	Confident	83.9	Confident	74 Å²	74	67.2 Å²	67.2	40%	0.396	34%	0.341	S	S	.	.			trans	-130.5	47	-172.6	-72	-73.5	0	0	0	111.8	K516 N517 Y522	K516-N520 PolarHBondContact O-N 2.91Å; K516-N520 PolarHBondContact O-ND2 2.61Å; N517-N520 CarbonylContact O-C 3.57Å; N517-N520 PolarHBondContact O-N 3.07Å; N520-Y522 HydrophobicContact CB-CE2 3.89Å; N520-Y522 PolarHBondContact OD1-OH 3.14Å
521	I	86.9	Confident	84.1	Confident	39 Å²	39	67.8 Å²	67.8	20%	0.2	35%	0.346	C	S	.	.			trans	-100	125.7	172.2	-51.7	-179.1	0	0	0	107.8	Y434 T462 F510 N517	Y434-I521 HydrophobicContact CD1-CG2 3.45Å; Y434-I521 VanDerWaalsContact CD1-CG2 3.45Å; Y434-I521 HydrophobicContact CE1-CG2 3.92Å; Y434-I521 HydrophobicContact CG-CG2 4.46Å; T462-I521 HydrophobicContact CG2-CD1 4.35Å; T462-I521 HydrophobicContact CG2-CG2 3.89Å; F510-I521 HydrophobicContact CE1-CD1 3.82Å; F510-I521 HydrophobicContact CE1-CG1 4.16Å; F510-I521 HydrophobicContact CZ-CD1 3.97Å; F510-I521 HydrophobicContact CZ-CG1 4.19Å; N517-I521 WeakPolarHBondContact O-CG1 3.48Å
522	Y	91.9	Very high	84.5	Confident	62 Å²	62	65.9 Å²	65.9	24%	0.243	35%	0.345	C	S	.	.			trans	-136.1	151.9	-174.4	-55.8	-60.7	0	0	0	110.2	Y434 N520 F598 K600	Y434-Y522 WeakPolarHBondContact CE1-O 3.38Å; Y434-Y522 PolarHBondContact OH-O 2.75Å; N520-Y522 HydrophobicContact CB-CE2 3.89Å; N520-Y522 PolarHBondContact OD1-OH 3.14Å; Y522-F598 WeakPolarHBondContact CD2-O 3.3Å; Y522-K600 HydrophobicContact CD1-CB 3.76Å; Y522-K600 HydrophobicContact CD1-CD 4.38Å; Y522-K600 HydrophobicContact CD1-CG 3.97Å; Y522-K600 HydrophobicContact CD2-CB 4.05Å; Y522-K600 HydrophobicContact CE1-CB 3.63Å; Y522-K600 HydrophobicContact CE1-CD 3.67Å; Y522-K600 HydrophobicContact CE1-CG 3.75Å; Y522-K600 HydrophobicContact CE2-CB 3.91Å; Y522-K600 HydrophobicContact CG-CB 3.98Å
523	A	90.5	Very high	85.3	Confident	47 Å²	47	58.2 Å²	58.2	39%	0.388	31%	0.311	S	S	.	.			trans	-63.3	155.5	176.8	0	0	0	0	0	111.5	H466 N525 F598	H466-A523 WeakPolarHBondContact ND1-CA 3.49Å; H466-A523 WeakPolarHBondContact ND1-CB 3.37Å; A523-N525 PolarHBondContact O-N 2.76Å; A523-F598 WeakPolarHBondContact O-CB 3.36Å
524	P	93.2	Very high	86.4	Confident	13 Å²	13	54.1 Å²	54.1	8%	0.084	29%	0.285	C	S	.	.			trans	-55.8	132.5	174.7	-28.6	39.3	0	0	0	111.9	Y434 H466 L467 Q470 V573 I577 F598	Y434-P524 VanDerWaalsContact OH-CD 3.27Å; Y434-P524 WeakPolarHBondContact OH-CD 3.45Å; Y434-P524 WeakPolarHBondContact OH-CG 3.47Å; H466-P524 VanDerWaalsContact O-CD 3.23Å; H466-P524 WeakPolarHBondContact O-CD 3.45Å; L467-P524 HydrophobicContact CD2-CG 3.87Å; Q470-P524 HydrophobicContact CG-CB 4.39Å; Q470-P524 HydrophobicContact CG-CG 3.94Å; P524-V573 HydrophobicContact CB-CG1 3.72Å; P524-I577 HydrophobicContact CB-CD1 4.05Å; P524-I577 HydrophobicContact CB-CG1 4.31Å; P524-F598 HydrophobicContact CB-CD1 4.32Å; P524-F598 HydrophobicContact CB-CE1 4.03Å; P524-F598 HydrophobicContact CB-CE2 4.33Å; P524-F598 HydrophobicContact CB-CZ 4.05Å; P524-F598 HydrophobicContact CG-CD2 4.43Å; P524-F598 HydrophobicContact CG-CE2 4.1Å; P524-F598 HydrophobicContact CG-CZ 4.21Å
525	N	92.2	Very high	87.5	Confident	41 Å²	41	50.9 Å²	50.9	22%	0.219	28%	0.275	C	S	.	.			trans	-142.9	154.7	-178.5	-167.2	6.6	0	0	0	108.1	A523 V527 A576	A523-N525 PolarHBondContact O-N 2.76Å; N525-V527 PolarHBondContact O-N 2.81Å; N525-A576 VanDerWaalsContact O-CB 3.32Å; N525-A576 WeakPolarHBondContact O-CB 3.42Å
526	H	94.5	Very high	88.2	Confident	58 Å²	58	53.6 Å²	53.6	27%	0.269	30%	0.299	S	S	.	.	S	Bend	trans	-70.5	-8.1	175.1	68.5	-65.8	0	0	0	113.1	Q569 L570 V573	H526-Q569 PolarHBondContact CD2-NE2 2.76Å; H526-Q569 PolarHBondContact NE2-NE2 2.58Å; H526-L570 PolarHBondContact CD2-O 2.87Å; H526-L570 PolarHBondContact O-N 3.2Å; H526-V573 HydrophobicContact CB-CG2 4.33Å
527	V	96	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.5	170.1	-173.5	0	0	0	0	110.6	N525 L567 I568 Q569 S599 I603	N525-V527 PolarHBondContact O-N 2.81Å; V527-L567 HydrophobicContact CG1-CB 4.15Å; V527-I568 CarbonylContact C-O 3.6Å; V527-I568 WeakPolarHBondContact CA-O 3.37Å; V527-Q569 HydrophobicContact CG2-CB 4.09Å; V527-Q569 HydrophobicContact CG2-CG 3.81Å; V527-S599 WeakPolarHBondContact O-CB 3.25Å; V527-S599 PolarHBondContact O-N 2.9Å; V527-I603 HydrophobicContact CG1-CD1 4.34Å; V527-I603 HydrophobicContact CG1-CG1 3.89Å; V527-I603 HydrophobicContact CG2-CG1 4.43Å
528	L	95.5	Very high	89.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.9	176.2	-60.3	173.2	0	0	0	110.7	F546 L567 I568 L570 A576 A579 L580 I596 S597 F598	L528-F546 HydrophobicContact CD1-CE1 4.17Å; L528-L567 WeakPolarHBondContact O-CA 3.38Å; L528-I568 HydrophobicContact CB-CG2 3.79Å; L528-I568 PolarHBondContact N-O 2.88Å; L528-I568 PolarHBondContact O-N 3.4Å; L528-L570 HydrophobicContact CD1-CD1 3.96Å; L528-A576 HydrophobicContact CD1-CB 4.32Å; L528-A576 HydrophobicContact CD2-CB 4.12Å; L528-A576 HydrophobicContact CG-CB 4.11Å; L528-A579 HydrophobicContact CD1-CB 4.26Å; L528-L580 HydrophobicContact CD2-CB 4.3Å; L528-L580 HydrophobicContact CD2-CD1 4.14Å; L528-I596 HydrophobicContact CB-CG2 4.02Å; L528-I596 HydrophobicContact CD1-CG2 3.92Å; L528-I596 HydrophobicContact CD2-CG2 4.18Å; L528-I596 HydrophobicContact CG-CG2 4.27Å; L528-S597 CarbonylContact C-O 3.51Å; L528-S597 WeakPolarHBondContact CA-O 3.48Å; L528-F598 HydrophobicContact CD2-CD1 3.64Å; L528-F598 HydrophobicContact CD2-CE1 3.83Å
529	H	93.8	Very high	89.7	Confident	50 Å²	50	44 Å²	44	23%	0.231	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.7	169.8	177.4	-77	0	0	0	109.8	L567 S597	H529-L567 HydrophobicContact CB-CD2 4.06Å; H529-S597 PolarHBondContact N-O 3.28Å; H529-S597 PolarHBondContact O-N 2.84Å
530	L	93.3	Very high	90.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.4	175.7	-53.7	-172.8	0	0	0	110.3	I533 V542 F546 F556 M565 A566 I568 L594 R595 I596	L530-I533 HydrophobicContact CB-CD1 3.8Å; L530-V542 HydrophobicContact CD1-CG1 3.58Å; L530-F546 HydrophobicContact CD1-CE2 4.1Å; L530-F546 HydrophobicContact CD1-CZ 4.37Å; L530-F546 HydrophobicContact CD2-CE2 4.36Å; L530-F546 HydrophobicContact CD2-CZ 3.94Å; L530-F556 HydrophobicContact CD1-CE2 4.34Å; L530-M565 VanDerWaalsContact O-CA 3.27Å; L530-M565 WeakPolarHBondContact O-CA 3.45Å; L530-A566 HydrophobicContact CB-CB 4.28Å; L530-A566 PolarHBondContact N-O 2.8Å; L530-A566 PolarHBondContact O-N 3.36Å; L530-I568 HydrophobicContact CD1-CB 4.12Å; L530-I568 HydrophobicContact CD1-CD1 4.48Å; L530-I568 HydrophobicContact CD1-CG2 3.84Å; L530-I568 HydrophobicContact CD2-CG2 3.92Å; L530-I568 HydrophobicContact CG-CB 4.47Å; L530-I568 HydrophobicContact CG-CG2 3.83Å; L530-L594 HydrophobicContact CB-CD1 4.03Å; L530-L594 HydrophobicContact CD2-CD1 4.29Å; L530-R595 CarbonylContact C-O 3.59Å; L530-I596 HydrophobicContact CD2-CB 4.38Å; L530-I596 HydrophobicContact CD2-CD1 4.2Å; L530-I596 HydrophobicContact CD2-CG1 3.85Å; L530-I596 HydrophobicContact CD2-CG2 4.03Å
531	S	89.8	Confident	90.5	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.6	-177.2	57	0	0	0	0	112.1	M565 R595	S531-M565 WeakPolarHBondContact CA-SD 3.44Å; S531-M565 WeakPolarHBondContact CB-SD 3.47Å; S531-R595 PolarHBondContact N-O 2.96Å; S531-R595 PolarHBondContact O-N 3.19Å; S531-R595 WeakPolarHBondContact OG-CB 3.42Å; S531-R595 PolarHBondContact OG-O 3.3Å
532	N	87.6	Confident	90.7	Very high	79 Å²	79	42.9 Å²	42.9	42%	0.422	25%	0.245	S	C	.	.			trans	67.5	35.3	-175	-159.9	58.3	0	0	0	112.9	K564 S592 H593	N532-K564 PolarHBondContact N-O 3.29Å; N532-K564 VanDerWaalsContact N-O 3.12Å; N532-S592 PolarHBondContact ND2-OG 2.99Å; N532-S592 PolarHBondContact O-OG 3.01Å; N532-H593 PolarHBondContact ND2-O 2.94Å
533	I	89.9	Confident	90.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.244	C	C	.	.			trans	-80	126.2	173.1	-60.5	161.9	0	0	0	108.7	L530 I537 F558 K564 A566 L588 L594	L530-I533 HydrophobicContact CB-CD1 3.8Å; I533-I537 HydrophobicContact CG2-CB 4.03Å; I533-I537 HydrophobicContact CG2-CG2 4.2Å; I533-F558 HydrophobicContact CD1-CE1 4.45Å; I533-F558 HydrophobicContact CG2-CE1 4.31Å; I533-K564 PolarHBondContact N-O 2.74Å; I533-K564 VanDerWaalsContact N-O 3.11Å; I533-K564 WeakPolarHBondContact O-CA 2.89Å; I533-A566 HydrophobicContact CD1-CB 3.7Å; I533-L588 HydrophobicContact CG1-CD1 4.36Å; I533-L594 HydrophobicContact CG1-CD1 4.19Å
534	P	85.9	Confident	90.7	Very high	27 Å²	27	45.8 Å²	45.8	18%	0.175	25%	0.251	C	S	.	.			trans	-65.9	143.1	172	-20.4	33.2	0	0	0	111.6	A536 I537 T589	P534-A536 PolarHBondContact O-N 3.2Å; P534-I537 HydrophobicContact CB-CG1 4.18Å; P534-I537 HydrophobicContact CG-CG1 4.14Å; P534-I537 PolarHBondContact O-N 3.48Å; P534-T589 HydrophobicContact CB-CG2 4.47Å; P534-T589 HydrophobicContact CG-CG2 3.96Å
535	S	84.5	Confident	90.5	Very high	98 Å²	98	47.2 Å²	47.2	69%	0.685	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.3	-179.1	56.7	0	0	0	0	115.1
536	A	85.5	Confident	90.5	Very high	82 Å²	82	45.2 Å²	45.2	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-23.5	173.3	0	0	0	0	0	113	P534	P534-A536 PolarHBondContact O-N 3.2Å
537	I	86.8	Confident	90.4	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.097	26%	0.258	C	S	.	.			trans	-76.7	131.3	-176.5	-64	-63.4	0	0	0	110	I533 P534 E541 V542 T589	I533-I537 HydrophobicContact CG2-CB 4.03Å; I533-I537 HydrophobicContact CG2-CG2 4.2Å; P534-I537 HydrophobicContact CB-CG1 4.18Å; P534-I537 HydrophobicContact CG-CG1 4.14Å; P534-I537 PolarHBondContact O-N 3.48Å; I537-E541 WeakPolarHBondContact CA-OE2 3.29Å; I537-E541 HydrophobicContact CG2-CB 4.02Å; I537-V542 HydrophobicContact CG2-CG2 3.63Å; I537-T589 HydrophobicContact CD1-CG2 4.3Å
538	T	90	Very high	90.1	Very high	53 Å²	53	52.8 Å²	52.8	33%	0.325	29%	0.29	S	S	.	.			trans	-87.3	170.3	178.4	87.2	0	0	0	0	112.4	E540 E541 V542	T538-E540 VanDerWaalsContact C-N 3.33Å; T538-E540 WeakPolarHBondContact CB-OE2 3.48Å; T538-E540 PolarHBondContact OG1-N 3.06Å; T538-E540 PolarHBondContact OG1-OE2 2.75Å; T538-E541 PolarHBondContact N-OE2 2.85Å; T538-E541 PolarHBondContact OG1-N 2.79Å; T538-V542 WeakPolarHBondContact O-CG2 3.35Å; T538-V542 PolarHBondContact O-N 3.2Å
539	E	91.4	Very high	89.7	Confident	54 Å²	54	58.4 Å²	58.4	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-37	177.6	158.8	169.6	157.6	0	0	111.3	V542 R543 F556 F558	E539-V542 PolarHBondContact O-N 3.48Å; E539-R543 PolarHBondContact O-N 2.98Å; E539-R543 IonicContact OE1-CZ 3.18Å; E539-R543 IonicContact OE1-NH1 2.72Å; E539-R543 PolarHBondContact OE1-NH1 3.39Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.13Å; E539-F556 HydrophobicContact CB-CD1 4.01Å; E539-F556 HydrophobicContact CB-CE1 3.68Å; E539-F556 HydrophobicContact CB-CZ 4.37Å; E539-F556 HydrophobicContact CG-CD1 3.4Å; E539-F556 VanDerWaalsContact CG-CD1 3.4Å; E539-F556 HydrophobicContact CG-CE1 3.63Å; E539-F556 HydrophobicContact CG-CG 4.11Å; E539-F556 HydrophobicContact CG-CZ 4.48Å; E539-F556 WeakPolarHBondContact OE2-CD1 3.11Å; E539-F558 HydrophobicContact CB-CD2 4.32Å; E539-F558 HydrophobicContact CB-CE2 3.67Å; E539-F558 HydrophobicContact CB-CZ 4.42Å
540	E	91.3	Very high	89.5	Confident	119 Å²	119	59 Å²	59	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-63.9	-42	176.4	-57.9	68.9	-149.1	0	0	111.3	T538 R543 M544	T538-E540 VanDerWaalsContact C-N 3.33Å; T538-E540 WeakPolarHBondContact CB-OE2 3.48Å; T538-E540 PolarHBondContact OG1-N 3.06Å; T538-E540 PolarHBondContact OG1-OE2 2.75Å; E540-R543 PolarHBondContact O-N 2.93Å; E540-M544 VanDerWaalsContact O-CB 3.28Å; E540-M544 WeakPolarHBondContact O-CB 3.13Å; E540-M544 PolarHBondContact O-N 3.18Å
541	E	90.1	Very high	89.5	Confident	73 Å²	73	59.7 Å²	59.7	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-64.3	-39.9	176.1	-69	176.9	138.9	0	0	112	I537 T538 M544 I545	I537-E541 WeakPolarHBondContact CA-OE2 3.29Å; I537-E541 HydrophobicContact CG2-CB 4.02Å; T538-E541 PolarHBondContact N-OE2 2.85Å; T538-E541 PolarHBondContact OG1-N 2.79Å; E541-M544 PolarHBondContact O-N 3.06Å; E541-I545 WeakPolarHBondContact O-CG1 3.32Å; E541-I545 PolarHBondContact O-N 3.05Å
542	V	90.3	Very high	89.6	Confident	2 Å²	2	65 Å²	65	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-42.4	174.9	-177	0	0	0	0	111.2	L530 I537 T538 E539 I545 F546 F556	L530-V542 HydrophobicContact CD1-CG1 3.58Å; I537-V542 HydrophobicContact CG2-CG2 3.63Å; T538-V542 WeakPolarHBondContact O-CG2 3.35Å; T538-V542 PolarHBondContact O-N 3.2Å; E539-V542 PolarHBondContact O-N 3.48Å; V542-I545 PolarHBondContact O-N 2.92Å; V542-F546 HydrophobicContact CG1-CD2 4.44Å; V542-F546 HydrophobicContact CG1-CE2 4.31Å; V542-F546 WeakPolarHBondContact O-CD2 3.29Å; V542-F546 PolarHBondContact O-N 2.97Å; V542-F556 HydrophobicContact CB-CE2 3.95Å; V542-F556 HydrophobicContact CB-CZ 4.3Å; V542-F556 HydrophobicContact CG1-CE2 3.72Å; V542-F556 HydrophobicContact CG1-CZ 4.45Å
543	R	93	Very high	89.9	Confident	59 Å²	59	61.8 Å²	61.8	22%	0.223	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-47.4	174	-73.8	-158.5	-177.1	91.4	1.3	111.7	E539 E540 I545 F546 E547 V553	E539-R543 PolarHBondContact O-N 2.98Å; E539-R543 IonicContact OE1-CZ 3.18Å; E539-R543 IonicContact OE1-NH1 2.72Å; E539-R543 PolarHBondContact OE1-NH1 3.39Å; E539-R543 IonicContact OE1-NH2 2.7Å; E539-R543 PolarHBondContact OE1-NH2 3.13Å; E540-R543 PolarHBondContact O-N 2.93Å; R543-I545 PolarHBondContact O-N 3.37Å; R543-F546 WeakPolarHBondContact O-CB 3.49Å; R543-F546 PolarHBondContact O-N 3.45Å; R543-E547 WeakPolarHBondContact O-CG 3.47Å; R543-E547 PolarHBondContact O-N 2.96Å; R543-V553 HydrophobicContact CB-CG2 4.43Å; R543-V553 HydrophobicContact CG-CB 4.17Å; R543-V553 HydrophobicContact CG-CG1 4.06Å; R543-V553 HydrophobicContact CG-CG2 4.24Å
544	M	90.6	Very high	90.1	Very high	111 Å²	111	64.9 Å²	64.9	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-56.8	-36.3	179.6	-176.8	175.5	62.8	0	0	112.4	E540 E541 T548	E540-M544 VanDerWaalsContact O-CB 3.28Å; E540-M544 WeakPolarHBondContact O-CB 3.13Å; E540-M544 PolarHBondContact O-N 3.18Å; E541-M544 PolarHBondContact O-N 3.06Å; M544-T548 WeakPolarHBondContact O-CB 3.23Å; M544-T548 PolarHBondContact O-N 3.42Å; M544-T548 PolarHBondContact O-OG1 3.48Å
545	I	89.5	Confident	90.4	Very high	42 Å²	42	66.8 Å²	66.8	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-39.1	175.6	-71.3	165.1	0	0	0	112.1	E541 V542 R543 L583 L588	E541-I545 WeakPolarHBondContact O-CG1 3.32Å; E541-I545 PolarHBondContact O-N 3.05Å; V542-I545 PolarHBondContact O-N 2.92Å; R543-I545 PolarHBondContact O-N 3.37Å; I545-L583 HydrophobicContact CG2-CD1 4.46Å; I545-L583 HydrophobicContact CG2-CD2 3.6Å; I545-L588 HydrophobicContact CD1-CD2 3.47Å; I545-L588 VanDerWaalsContact CD1-CD2 3.47Å
546	F	92.2	Very high	90.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-71.9	-46.6	175.8	-82.5	-107	0	0	0	111.4	L528 L530 V542 R543 T548 K549 G550 Y551 V553 I568 L570 A579 L583 L594 I596	L528-F546 HydrophobicContact CD1-CE1 4.17Å; L530-F546 HydrophobicContact CD1-CE2 4.1Å; L530-F546 HydrophobicContact CD1-CZ 4.37Å; L530-F546 HydrophobicContact CD2-CE2 4.36Å; L530-F546 HydrophobicContact CD2-CZ 3.94Å; V542-F546 HydrophobicContact CG1-CD2 4.44Å; V542-F546 HydrophobicContact CG1-CE2 4.31Å; V542-F546 WeakPolarHBondContact O-CD2 3.29Å; V542-F546 PolarHBondContact O-N 2.97Å; R543-F546 WeakPolarHBondContact O-CB 3.49Å; R543-F546 PolarHBondContact O-N 3.45Å; F546-T548 PolarHBondContact O-N 2.89Å; F546-K549 CarbonylContact O-C 3.58Å; F546-K549 PolarHBondContact O-N 3.33Å; F546-G550 PolarHBondContact O-N 2.8Å; F546-Y551 CarbonylContact C-O 3.53Å; F546-Y551 WeakPolarHBondContact O-CB 3.48Å; F546-Y551 PolarHBondContact O-N 2.62Å; F546-V553 HydrophobicContact CB-CG2 3.74Å; F546-V553 HydrophobicContact CG-CG2 4.33Å; F546-I568 HydrophobicContact CB-CD1 4.42Å; F546-I568 HydrophobicContact CD1-CD1 3.98Å; F546-I568 HydrophobicContact CD2-CD1 3.64Å; F546-I568 HydrophobicContact CE1-CD1 4.11Å; F546-I568 HydrophobicContact CE1-CG2 4.16Å; F546-I568 HydrophobicContact CE2-CD1 3.79Å; F546-I568 HydrophobicContact CG-CD1 3.75Å; F546-I568 HydrophobicContact CZ-CD1 4.03Å; F546-I568 HydrophobicContact CZ-CG2 3.97Å; F546-L570 HydrophobicContact CD1-CD1 4.24Å; F546-L570 HydrophobicContact CD1-CD2 4.17Å; F546-L570 HydrophobicContact CE1-CD1 4.18Å; F546-A579 HydrophobicContact CD1-CB 4.09Å; F546-A579 HydrophobicContact CE1-CB 3.83Å; F546-L583 HydrophobicContact CB-CD1 4.35Å; F546-L583 HydrophobicContact CD1-CD1 3.56Å; F546-L583 HydrophobicContact CD2-CD1 3.66Å; F546-L583 HydrophobicContact CE1-CD1 3.63Å; F546-L583 HydrophobicContact CE2-CD1 3.73Å; F546-L583 HydrophobicContact CG-CD1 3.58Å; F546-L583 HydrophobicContact CZ-CD1 3.7Å; F546-L594 HydrophobicContact CE2-CD2 4.48Å; F546-I596 HydrophobicContact CZ-CD1 4.27Å
547	E	92	Very high	91.2	Very high	104 Å²	104	63.2 Å²	63.2	49%	0.486	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-38.3	179.7	-70.3	168.8	-165.8	0	0	112.4	R543 K549 G550 Y551	R543-E547 WeakPolarHBondContact O-CG 3.47Å; R543-E547 PolarHBondContact O-N 2.96Å; E547-K549 PolarHBondContact O-N 2.87Å; E547-G550 WeakPolarHBondContact O-CA 3.46Å; E547-G550 PolarHBondContact O-N 2.83Å; E547-Y551 PolarHBondContact N-O 3.32Å
548	T	89.8	Confident	91.4	Very high	112 Å²	112	64.2 Å²	64.2	69%	0.687	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.1	174.3	-59.8	0	0	0	0	112.6	M544 F546	M544-T548 WeakPolarHBondContact O-CB 3.23Å; M544-T548 PolarHBondContact O-N 3.42Å; M544-T548 PolarHBondContact O-OG1 3.48Å; F546-T548 PolarHBondContact O-N 2.89Å
549	K	86.4	Confident	91.1	Very high	119 Å²	119	64.4 Å²	64.4	52%	0.517	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.1	172.7	-69	-64.4	-170.4	169.7	0	113.7	F546 E547 Y551 L583	F546-K549 CarbonylContact O-C 3.58Å; F546-K549 PolarHBondContact O-N 3.33Å; E547-K549 PolarHBondContact O-N 2.87Å; K549-Y551 HydrophobicContact CB-CD2 3.59Å; K549-Y551 HydrophobicContact CB-CE2 3.63Å; K549-L583 HydrophobicContact CG-CD2 3.74Å; K549-L583 HydrophobicContact CG-CG 4.35Å
550	G	90	Very high	90.4	Very high	62 Å²	62	68.6 Å²	68.6	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	11.9	-178.8	0	0	0	0	0	114.9	F546 E547	F546-G550 PolarHBondContact O-N 2.8Å; E547-G550 WeakPolarHBondContact O-CA 3.46Å; E547-G550 PolarHBondContact O-N 2.83Å
551	Y	92.9	Very high	89.6	Confident	14 Å²	14	73.5 Å²	73.5	6%	0.055	37%	0.37	C	S	.	.			trans	-96.4	107.9	179.8	-59	-63.8	0	0	0	111.1	F546 E547 K549 V553 M575 Q578 A579 D582 L583	F546-Y551 CarbonylContact C-O 3.53Å; F546-Y551 WeakPolarHBondContact O-CB 3.48Å; F546-Y551 PolarHBondContact O-N 2.62Å; E547-Y551 PolarHBondContact N-O 3.32Å; K549-Y551 HydrophobicContact CB-CD2 3.59Å; K549-Y551 HydrophobicContact CB-CE2 3.63Å; Y551-V553 PolarHBondContact O-N 3.46Å; Y551-M575 HydrophobicContact CD1-SD 4.26Å; Y551-M575 HydrophobicContact CE1-SD 4.33Å; Y551-Q578 HydrophobicContact CE1-CB 3.8Å; Y551-Q578 VanDerWaalsContact OH-C 3.31Å; Y551-Q578 WeakPolarHBondContact OH-CB 3.35Å; Y551-Q578 PolarHBondContact OH-O 3.44Å; Y551-A579 HydrophobicContact CD1-CB 3.9Å; Y551-A579 HydrophobicContact CD2-CB 3.7Å; Y551-A579 HydrophobicContact CE1-CB 4.05Å; Y551-A579 HydrophobicContact CE2-CB 3.88Å; Y551-A579 HydrophobicContact CG-CB 3.73Å; Y551-D582 HydrophobicContact CE2-CB 4.23Å; Y551-D582 PolarHBondContact OH-OD2 3.34Å; Y551-L583 HydrophobicContact CD2-CD1 4.29Å
552	H	92.3	Very high	89	Confident	132 Å²	132	73 Å²	73	61%	0.611	37%	0.369	S	S	*	.			trans	-71.6	117.7	177.7	-178.8	-73.1	0	0	0	111.5	L570	H552-L570 VanDerWaalsContact O-CD2 3.3Å; H552-L570 WeakPolarHBondContact O-CD2 3.19Å
553	V	93.4	Very high	88.7	Confident	11 Å²	11	77.4 Å²	77.4	7%	0.067	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117	177.6	-176.5	0	0	0	0	110.3	R543 F546 Y551 D555 F556 I568 L570	R543-V553 HydrophobicContact CB-CG2 4.43Å; R543-V553 HydrophobicContact CG-CB 4.17Å; R543-V553 HydrophobicContact CG-CG1 4.06Å; R543-V553 HydrophobicContact CG-CG2 4.24Å; F546-V553 HydrophobicContact CB-CG2 3.74Å; F546-V553 HydrophobicContact CG-CG2 4.33Å; Y551-V553 PolarHBondContact O-N 3.46Å; V553-D555 WeakPolarHBondContact CG1-O 3.45Å; V553-F556 HydrophobicContact CG1-CB 4.4Å; V553-I568 HydrophobicContact CB-CD1 4.37Å; V553-I568 HydrophobicContact CB-CG1 4.45Å; V553-I568 HydrophobicContact CG1-CD1 3.85Å; V553-I568 HydrophobicContact CG1-CG1 3.56Å; V553-I568 HydrophobicContact CG2-CD1 3.55Å; V553-I568 HydrophobicContact CG2-CG1 4.08Å; V553-L570 HydrophobicContact CG2-CD2 4.35Å
554	T	93.7	Very high	88.4	Confident	69 Å²	69	79.8 Å²	79.8	42%	0.423	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-36.7	179.8	56.7	0	0	0	0	113	Q569	T554-Q569 PolarHBondContact N-O 3.21Å; T554-Q569 VanDerWaalsContact OG1-C 3.23Å; T554-Q569 WeakPolarHBondContact OG1-CG 3.29Å; T554-Q569 PolarHBondContact OG1-O 3.34Å
555	D	93.1	Very high	88.4	Confident	68 Å²	68	77.4 Å²	77.4	36%	0.364	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.6	176.2	-161.2	-3.3	0	0	0	110.2	V553 Q569 I603	V553-D555 WeakPolarHBondContact CG1-O 3.45Å; D555-Q569 HydrophobicContact CB-CB 4.02Å; D555-Q569 PolarHBondContact N-O 2.89Å; D555-Q569 PolarHBondContact O-N 3.45Å; D555-I603 HydrophobicContact CB-CD1 4.12Å; D555-I603 HydrophobicContact CB-CG2 4.48Å; D555-I603 WeakPolarHBondContact OD2-CG2 3.43Å
556	F	93.8	Very high	88.6	Confident	10 Å²	10	75.4 Å²	75.4	4%	0.044	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.8	-179.5	179.2	-82.8	0	0	0	110.9	L530 E539 V542 V553 F558 A566 L567 I568	L530-F556 HydrophobicContact CD1-CE2 4.34Å; E539-F556 HydrophobicContact CB-CD1 4.01Å; E539-F556 HydrophobicContact CB-CE1 3.68Å; E539-F556 HydrophobicContact CB-CZ 4.37Å; E539-F556 HydrophobicContact CG-CD1 3.4Å; E539-F556 VanDerWaalsContact CG-CD1 3.4Å; E539-F556 HydrophobicContact CG-CE1 3.63Å; E539-F556 HydrophobicContact CG-CG 4.11Å; E539-F556 HydrophobicContact CG-CZ 4.48Å; E539-F556 WeakPolarHBondContact OE2-CD1 3.11Å; V542-F556 HydrophobicContact CB-CE2 3.95Å; V542-F556 HydrophobicContact CB-CZ 4.3Å; V542-F556 HydrophobicContact CG1-CE2 3.72Å; V542-F556 HydrophobicContact CG1-CZ 4.45Å; V553-F556 HydrophobicContact CG1-CB 4.4Å; F556-F558 HydrophobicContact CE1-CD1 4.21Å; F556-F558 AromaticContact CE1-CD2 3.71Å; F556-F558 HydrophobicContact CE1-CD2 3.71Å; F556-F558 HydrophobicContact CE1-CE1 4.25Å; F556-F558 AromaticContact CE1-CE2 3.78Å; F556-F558 HydrophobicContact CE1-CE2 3.78Å; F556-F558 AromaticContact CE1-CG 3.94Å; F556-F558 HydrophobicContact CE1-CG 3.94Å; F556-F558 HydrophobicContact CE1-CZ 4.05Å; F556-F558 HydrophobicContact CZ-CD1 4.2Å; F556-F558 HydrophobicContact CZ-CD2 4.38Å; F556-F558 AromaticContact CZ-CE1 3.96Å; F556-F558 HydrophobicContact CZ-CE1 3.96Å; F556-F558 HydrophobicContact CZ-CE2 4.18Å; F556-F558 HydrophobicContact CZ-CG 4.39Å; F556-F558 AromaticContact CZ-CZ 3.95Å; F556-F558 HydrophobicContact CZ-CZ 3.95Å; F556-A566 HydrophobicContact CE1-CB 4.23Å; F556-A566 HydrophobicContact CE2-CB 3.73Å; F556-A566 HydrophobicContact CZ-CB 3.5Å; F556-A566 VanDerWaalsContact CZ-CB 3.5Å; F556-L567 WeakPolarHBondContact CA-O 3.32Å; F556-I568 HydrophobicContact CD2-CB 4.07Å; F556-I568 HydrophobicContact CD2-CD1 4.11Å; F556-I568 HydrophobicContact CD2-CG1 4.07Å
557	K	92.3	Very high	88.7	Confident	95 Å²	95	75.5 Å²	75.5	41%	0.413	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	117	-179.5	-178.2	175.8	-173.3	176.9	0	112	M559 A566 L567 I603	K557-M559 PolarHBondContact O-N 3.05Å; K557-A566 CarbonylContact O-C 3.53Å; K557-A566 VanDerWaalsContact O-CA 3.3Å; K557-A566 WeakPolarHBondContact O-CA 3.36Å; K557-L567 PolarHBondContact N-O 2.94Å; K557-L567 PolarHBondContact O-N 3.02Å; K557-I603 HydrophobicContact CB-CG2 3.63Å; K557-I603 HydrophobicContact CD-CG2 3.72Å; K557-I603 VanDerWaalsContact CD-OXT 3.3Å; K557-I603 WeakPolarHBondContact CD-OXT 3.37Å; K557-I603 HydrophobicContact CG-CG2 4.37Å; K557-I603 PolarHBondContact NZ-OXT 2.74Å
558	F	92.2	Very high	88.8	Confident	39 Å²	39	70.6 Å²	70.6	17%	0.171	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	134.6	167.3	-83.7	-61.7	0	0	0	111.1	I533 E539 F556 K563 A566	I533-F558 HydrophobicContact CD1-CE1 4.45Å; I533-F558 HydrophobicContact CG2-CE1 4.31Å; E539-F558 HydrophobicContact CB-CD2 4.32Å; E539-F558 HydrophobicContact CB-CE2 3.67Å; E539-F558 HydrophobicContact CB-CZ 4.42Å; F556-F558 HydrophobicContact CE1-CD1 4.21Å; F556-F558 AromaticContact CE1-CD2 3.71Å; F556-F558 HydrophobicContact CE1-CD2 3.71Å; F556-F558 HydrophobicContact CE1-CE1 4.25Å; F556-F558 AromaticContact CE1-CE2 3.78Å; F556-F558 HydrophobicContact CE1-CE2 3.78Å; F556-F558 AromaticContact CE1-CG 3.94Å; F556-F558 HydrophobicContact CE1-CG 3.94Å; F556-F558 HydrophobicContact CE1-CZ 4.05Å; F556-F558 HydrophobicContact CZ-CD1 4.2Å; F556-F558 HydrophobicContact CZ-CD2 4.38Å; F556-F558 AromaticContact CZ-CE1 3.96Å; F556-F558 HydrophobicContact CZ-CE1 3.96Å; F556-F558 HydrophobicContact CZ-CE2 4.18Å; F556-F558 HydrophobicContact CZ-CG 4.39Å; F556-F558 AromaticContact CZ-CZ 3.95Å; F556-F558 HydrophobicContact CZ-CZ 3.95Å; F558-K563 HydrophobicContact CB-CG 4.38Å; F558-K563 HydrophobicContact CD1-CB 3.77Å; F558-K563 HydrophobicContact CD1-CD 4.42Å; F558-K563 HydrophobicContact CD1-CG 4.07Å; F558-K563 HydrophobicContact CD2-CD 4.04Å; F558-K563 HydrophobicContact CD2-CG 4.3Å; F558-K563 HydrophobicContact CE1-CB 3.94Å; F558-K563 HydrophobicContact CE1-CD 4.41Å; F558-K563 HydrophobicContact CE1-CG 4.43Å; F558-K563 HydrophobicContact CE2-CD 4.01Å; F558-K563 HydrophobicContact CG-CB 4.24Å; F558-K563 HydrophobicContact CG-CD 4.25Å; F558-K563 HydrophobicContact CG-CG 4.01Å; F558-K563 HydrophobicContact CZ-CD 4.21Å; F558-A566 HydrophobicContact CD1-CB 4.02Å; F558-A566 HydrophobicContact CE1-CB 4.39Å
559	M	83.8	Confident	89.1	Confident	58 Å²	58	67.4 Å²	67.4	29%	0.286	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	137.5	178.1	-72.7	-86.4	-84.3	0	0	109.2	K557 M565 L567	K557-M559 PolarHBondContact O-N 3.05Å; M559-M565 HydrophobicContact CB-CB 3.83Å; M559-M565 PolarHBondContact N-O 2.92Å; M559-L567 HydrophobicContact CG-CG 3.96Å; M559-L567 HydrophobicContact SD-CD1 4.16Å; M559-L567 HydrophobicContact SD-CG 4.22Å
560	M	76.7	Confident	89.5	Confident	142 Å²	142	61.8 Å²	61.8	70%	0.7	31%	0.309	S	S	*	.	S	Bend	trans	65.1	164.1	-176.2	-49.7	-176.2	-177.8	0	0	114.3	D562	M560-D562 WeakPolarHBondContact CB-OD1 3.17Å; M560-D562 PolarHBondContact O-N 2.85Å
561	K	72.8	Confident	89.7	Confident	222 Å²	222	65.7 Å²	65.7	97%	0.965	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.8	-179	-68.7	-172.3	177.1	-175.4	0	113.8
562	D	77.5	Confident	89.7	Confident	61 Å²	61	67.7 Å²	67.7	33%	0.326	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.7	-174.7	67	-18	0	0	0	114.2	M560 K564	M560-D562 WeakPolarHBondContact CB-OD1 3.17Å; M560-D562 PolarHBondContact O-N 2.85Å; D562-K564 HydrophobicContact CB-CG 4.37Å; D562-K564 PolarHBondContact O-N 3.07Å; D562-K564 VanDerWaalsContact OD2-CD 3.23Å; D562-K564 WeakPolarHBondContact OD2-CD 3.41Å; D562-K564 VanDerWaalsContact OD2-CE 3.23Å; D562-K564 WeakPolarHBondContact OD2-CE 3.48Å; D562-K564 IonicContact OD2-NZ 3.7Å; D562-K564 PolarHBondContact OD2-NZ 2.86Å
563	K	84.1	Confident	89.9	Confident	95 Å²	95	63.2 Å²	63.2	41%	0.413	30%	0.304	S	S	.	.			trans	55.2	14	176	-61.4	-170.2	177.9	-171.1	0	116.1	F558 M565	F558-K563 HydrophobicContact CB-CG 4.38Å; F558-K563 HydrophobicContact CD1-CB 3.77Å; F558-K563 HydrophobicContact CD1-CD 4.42Å; F558-K563 HydrophobicContact CD1-CG 4.07Å; F558-K563 HydrophobicContact CD2-CD 4.04Å; F558-K563 HydrophobicContact CD2-CG 4.3Å; F558-K563 HydrophobicContact CE1-CB 3.94Å; F558-K563 HydrophobicContact CE1-CD 4.41Å; F558-K563 HydrophobicContact CE1-CG 4.43Å; F558-K563 HydrophobicContact CE2-CD 4.01Å; F558-K563 HydrophobicContact CG-CB 4.24Å; F558-K563 HydrophobicContact CG-CD 4.25Å; F558-K563 HydrophobicContact CG-CG 4.01Å; F558-K563 HydrophobicContact CZ-CD 4.21Å; K563-M565 PolarHBondContact O-N 3.39Å
564	K	87.4	Confident	89.9	Confident	110 Å²	110	63.6 Å²	63.6	48%	0.478	31%	0.306	S	S	.	.	S	Bend	trans	-71.8	-15.1	-176.9	-65	-173.1	-170.6	128.6	0	114.5	N532 I533 D562	N532-K564 PolarHBondContact N-O 3.29Å; N532-K564 VanDerWaalsContact N-O 3.12Å; I533-K564 PolarHBondContact N-O 2.74Å; I533-K564 VanDerWaalsContact N-O 3.11Å; I533-K564 WeakPolarHBondContact O-CA 2.89Å; D562-K564 HydrophobicContact CB-CG 4.37Å; D562-K564 PolarHBondContact O-N 3.07Å; D562-K564 VanDerWaalsContact OD2-CD 3.23Å; D562-K564 WeakPolarHBondContact OD2-CD 3.41Å; D562-K564 VanDerWaalsContact OD2-CE 3.23Å; D562-K564 WeakPolarHBondContact OD2-CE 3.48Å; D562-K564 IonicContact OD2-NZ 3.7Å; D562-K564 PolarHBondContact OD2-NZ 2.86Å
565	M	90.7	Very high	90	Very high	61 Å²	61	62.6 Å²	62.6	30%	0.3	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.8	-176.6	-53.7	-60.1	-172.5	0	0	108.7	L530 S531 M559 K563	L530-M565 VanDerWaalsContact O-CA 3.27Å; L530-M565 WeakPolarHBondContact O-CA 3.45Å; S531-M565 WeakPolarHBondContact CA-SD 3.44Å; S531-M565 WeakPolarHBondContact CB-SD 3.47Å; M559-M565 HydrophobicContact CB-CB 3.83Å; M559-M565 PolarHBondContact N-O 2.92Å; K563-M565 PolarHBondContact O-N 3.39Å
566	A	93.5	Very high	90.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.6	172.3	0	0	0	0	0	110.9	L530 I533 F556 K557 F558	L530-A566 HydrophobicContact CB-CB 4.28Å; L530-A566 PolarHBondContact N-O 2.8Å; L530-A566 PolarHBondContact O-N 3.36Å; I533-A566 HydrophobicContact CD1-CB 3.7Å; F556-A566 HydrophobicContact CE1-CB 4.23Å; F556-A566 HydrophobicContact CE2-CB 3.73Å; F556-A566 HydrophobicContact CZ-CB 3.5Å; F556-A566 VanDerWaalsContact CZ-CB 3.5Å; K557-A566 CarbonylContact O-C 3.53Å; K557-A566 VanDerWaalsContact O-CA 3.3Å; K557-A566 WeakPolarHBondContact O-CA 3.36Å; F558-A566 HydrophobicContact CD1-CB 4.02Å; F558-A566 HydrophobicContact CE1-CB 4.39Å
567	L	93.9	Very high	90.3	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140	163.5	-58.9	-179.1	0	0	0	108.5	V527 L528 H529 F556 K557 M559 S599 T601 I603	V527-L567 HydrophobicContact CG1-CB 4.15Å; L528-L567 WeakPolarHBondContact O-CA 3.38Å; H529-L567 HydrophobicContact CB-CD2 4.06Å; F556-L567 WeakPolarHBondContact CA-O 3.32Å; K557-L567 PolarHBondContact N-O 2.94Å; K557-L567 PolarHBondContact O-N 3.02Å; M559-L567 HydrophobicContact CG-CG 3.96Å; M559-L567 HydrophobicContact SD-CD1 4.16Å; M559-L567 HydrophobicContact SD-CG 4.22Å; L567-S599 WeakPolarHBondContact CD2-OG 3.41Å; L567-T601 WeakPolarHBondContact CD1-OG1 3.21Å; L567-I603 HydrophobicContact CB-CD1 3.82Å; L567-I603 HydrophobicContact CB-CG1 3.84Å; L567-I603 HydrophobicContact CD1-CG1 4.4Å
568	I	94.7	Very high	90.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.2	174.7	-167.8	165.1	0	0	0	109.1	V527 L528 L530 F546 V553 F556	V527-I568 CarbonylContact C-O 3.6Å; V527-I568 WeakPolarHBondContact CA-O 3.37Å; L528-I568 HydrophobicContact CB-CG2 3.79Å; L528-I568 PolarHBondContact N-O 2.88Å; L528-I568 PolarHBondContact O-N 3.4Å; L530-I568 HydrophobicContact CD1-CB 4.12Å; L530-I568 HydrophobicContact CD1-CD1 4.48Å; L530-I568 HydrophobicContact CD1-CG2 3.84Å; L530-I568 HydrophobicContact CD2-CG2 3.92Å; L530-I568 HydrophobicContact CG-CB 4.47Å; L530-I568 HydrophobicContact CG-CG2 3.83Å; F546-I568 HydrophobicContact CB-CD1 4.42Å; F546-I568 HydrophobicContact CD1-CD1 3.98Å; F546-I568 HydrophobicContact CD2-CD1 3.64Å; F546-I568 HydrophobicContact CE1-CD1 4.11Å; F546-I568 HydrophobicContact CE1-CG2 4.16Å; F546-I568 HydrophobicContact CE2-CD1 3.79Å; F546-I568 HydrophobicContact CG-CD1 3.75Å; F546-I568 HydrophobicContact CZ-CD1 4.03Å; F546-I568 HydrophobicContact CZ-CG2 3.97Å; V553-I568 HydrophobicContact CB-CD1 4.37Å; V553-I568 HydrophobicContact CB-CG1 4.45Å; V553-I568 HydrophobicContact CG1-CD1 3.85Å; V553-I568 HydrophobicContact CG1-CG1 3.56Å; V553-I568 HydrophobicContact CG2-CD1 3.55Å; V553-I568 HydrophobicContact CG2-CG1 4.08Å; F556-I568 HydrophobicContact CD2-CB 4.07Å; F556-I568 HydrophobicContact CD2-CD1 4.11Å; F556-I568 HydrophobicContact CD2-CG1 4.07Å
569	Q	95.4	Very high	90.6	Very high	45 Å²	45	53.3 Å²	53.3	21%	0.21	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.6	-177.7	-171.7	175.8	-10.4	0	0	110.1	H526 V527 T554 D555 I603	H526-Q569 PolarHBondContact CD2-NE2 2.76Å; H526-Q569 PolarHBondContact NE2-NE2 2.58Å; V527-Q569 HydrophobicContact CG2-CB 4.09Å; V527-Q569 HydrophobicContact CG2-CG 3.81Å; T554-Q569 PolarHBondContact N-O 3.21Å; T554-Q569 VanDerWaalsContact OG1-C 3.23Å; T554-Q569 WeakPolarHBondContact OG1-CG 3.29Å; T554-Q569 PolarHBondContact OG1-O 3.34Å; D555-Q569 HydrophobicContact CB-CB 4.02Å; D555-Q569 PolarHBondContact N-O 2.89Å; D555-Q569 PolarHBondContact O-N 3.45Å; Q569-I603 HydrophobicContact CB-CD1 3.74Å; Q569-I603 HydrophobicContact CB-CG1 4.29Å
570	L	95.2	Very high	91.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	164.4	178	-64.4	169.6	0	0	0	109.8	H526 L528 F546 H552 V553 N572 M575 A576 A579	H526-L570 PolarHBondContact CD2-O 2.87Å; H526-L570 PolarHBondContact O-N 3.2Å; L528-L570 HydrophobicContact CD1-CD1 3.96Å; F546-L570 HydrophobicContact CD1-CD1 4.24Å; F546-L570 HydrophobicContact CD1-CD2 4.17Å; F546-L570 HydrophobicContact CE1-CD1 4.18Å; H552-L570 VanDerWaalsContact O-CD2 3.3Å; H552-L570 WeakPolarHBondContact O-CD2 3.19Å; V553-L570 HydrophobicContact CG2-CD2 4.35Å; L570-N572 VanDerWaalsContact C-N 3.27Å; L570-N572 PolarHBondContact O-N 3.31Å; L570-M575 HydrophobicContact CB-CB 4.45Å; L570-A576 HydrophobicContact CD1-CB 4.15Å; L570-A579 HydrophobicContact CD1-CB 3.57Å
571	E	93.4	Very high	92	Very high	144 Å²	144	44.2 Å²	44.2	67%	0.673	21%	0.209	S	C	*	.	S	Bend	trans	-53.3	-39.9	-174.3	-174.2	-172.3	-177.1	0	0	113.8
572	N	94.3	Very high	92.9	Very high	55 Å²	55	36.3 Å²	36.3	29%	0.294	18%	0.177	S	C	.	.	S	Bend	trans	-155.6	170.4	-176.3	61.3	68.5	0	0	0	112.3	L570 D574 M575 A576	L570-N572 VanDerWaalsContact C-N 3.27Å; L570-N572 PolarHBondContact O-N 3.31Å; N572-D574 VanDerWaalsContact C-N 3.34Å; N572-D574 PolarHBondContact O-N 2.8Å; N572-D574 WeakPolarHBondContact OD1-CB 3.2Å; N572-D574 PolarHBondContact OD1-N 3.15Å; N572-M575 PolarHBondContact O-N 3.46Å; N572-M575 WeakPolarHBondContact OD1-CG 3.25Å; N572-M575 PolarHBondContact OD1-N 3.19Å; N572-A576 PolarHBondContact O-N 2.74Å; N572-A576 VanDerWaalsContact O-N 3.09Å
573	V	95.1	Very high	93.6	Very high	38 Å²	38	33.5 Å²	33.5	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-33.2	-175.9	-175.5	0	0	0	0	112.5	P524 H526 A576 I577	P524-V573 HydrophobicContact CB-CG1 3.72Å; H526-V573 HydrophobicContact CB-CG2 4.33Å; V573-A576 PolarHBondContact O-N 2.84Å; V573-I577 HydrophobicContact CG1-CD1 3.93Å; V573-I577 HydrophobicContact CG1-CG1 4.43Å; V573-I577 WeakPolarHBondContact O-CG1 3.5Å; V573-I577 PolarHBondContact O-N 3.38Å
574	D	95.4	Very high	93.8	Very high	20 Å²	20	30 Å²	30	11%	0.107	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-46.4	177.8	-169.2	17.3	0	0	0	110.6	P471 L472 Y473 G474 N572 A576 I577 Q578	P471-D574 HydrophobicContact CB-CB 3.9Å; P471-D574 HydrophobicContact CG-CB 3.82Å; L472-D574 WeakPolarHBondContact CA-OD1 3.46Å; Y473-D574 PolarHBondContact N-OD1 3.1Å; G474-D574 PolarHBondContact N-OD2 3.34Å; N572-D574 VanDerWaalsContact C-N 3.34Å; N572-D574 PolarHBondContact O-N 2.8Å; N572-D574 WeakPolarHBondContact OD1-CB 3.2Å; N572-D574 PolarHBondContact OD1-N 3.15Å; D574-A576 VanDerWaalsContact C-N 3.29Å; D574-A576 PolarHBondContact O-N 3.04Å; D574-I577 PolarHBondContact O-N 3.29Å; D574-Q578 VanDerWaalsContact O-CG 3.25Å; D574-Q578 WeakPolarHBondContact O-CG 3.33Å; D574-Q578 PolarHBondContact O-N 2.83Å; D574-Q578 PolarHBondContact OD1-NE2 2.87Å; D574-Q578 PolarHBondContact OD2-NE2 3.31Å; D574-Q578 VanDerWaalsContact OD2-NE2 3.15Å
575	M	95.5	Very high	93.8	Very high	48 Å²	48	27.3 Å²	27.3	24%	0.236	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-38.8	172.6	-68.6	-59.8	102.7	0	0	112.1	Y551 L570 N572 Q578 A579	Y551-M575 HydrophobicContact CD1-SD 4.26Å; Y551-M575 HydrophobicContact CE1-SD 4.33Å; L570-M575 HydrophobicContact CB-CB 4.45Å; N572-M575 PolarHBondContact O-N 3.46Å; N572-M575 WeakPolarHBondContact OD1-CG 3.25Å; N572-M575 PolarHBondContact OD1-N 3.19Å; M575-Q578 VanDerWaalsContact CE-NE2 3.34Å; M575-Q578 PolarHBondContact O-N 3.19Å; M575-A579 VanDerWaalsContact O-CB 3.27Å; M575-A579 WeakPolarHBondContact O-CB 3.2Å; M575-A579 PolarHBondContact O-N 3.17Å
576	A	96.3	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.6	-35.6	176.7	0	0	0	0	0	113.7	N525 L528 L570 N572 V573 D574 L580	N525-A576 VanDerWaalsContact O-CB 3.32Å; N525-A576 WeakPolarHBondContact O-CB 3.42Å; L528-A576 HydrophobicContact CD1-CB 4.32Å; L528-A576 HydrophobicContact CD2-CB 4.12Å; L528-A576 HydrophobicContact CG-CB 4.11Å; L570-A576 HydrophobicContact CD1-CB 4.15Å; N572-A576 PolarHBondContact O-N 2.74Å; N572-A576 VanDerWaalsContact O-N 3.09Å; V573-A576 PolarHBondContact O-N 2.84Å; D574-A576 VanDerWaalsContact C-N 3.29Å; D574-A576 PolarHBondContact O-N 3.04Å; A576-L580 VanDerWaalsContact O-CB 3.26Å; A576-L580 WeakPolarHBondContact O-CB 3.48Å; A576-L580 PolarHBondContact O-N 3.27Å
577	I	96.3	Very high	93	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-44.9	171.8	-74.5	165.4	0	0	0	110.5	L430 Q470 P471 L472 P524 V573 D574 L580 I581 F598	L430-I577 HydrophobicContact CD1-CG2 3.96Å; L430-I577 HydrophobicContact CD2-CG2 3.99Å; Q470-I577 HydrophobicContact CB-CD1 4.19Å; P471-I577 WeakPolarHBondContact O-CD1 3.42Å; L472-I577 HydrophobicContact CD1-CG2 3.57Å; P524-I577 HydrophobicContact CB-CD1 4.05Å; P524-I577 HydrophobicContact CB-CG1 4.31Å; V573-I577 HydrophobicContact CG1-CD1 3.93Å; V573-I577 HydrophobicContact CG1-CG1 4.43Å; V573-I577 WeakPolarHBondContact O-CG1 3.5Å; V573-I577 PolarHBondContact O-N 3.38Å; D574-I577 PolarHBondContact O-N 3.29Å; I577-L580 PolarHBondContact O-N 2.83Å; I577-I581 HydrophobicContact CG2-CD1 4.1Å; I577-I581 WeakPolarHBondContact O-CG1 3.4Å; I577-I581 PolarHBondContact O-N 3.23Å; I577-I581 VanDerWaalsContact O-N 3.09Å; I577-F598 HydrophobicContact CG1-CE1 4.02Å; I577-F598 HydrophobicContact CG1-CZ 3.83Å
578	Q	95.3	Very high	92.3	Very high	17 Å²	17	32.9 Å²	32.9	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-46.4	179.4	-66.9	174.6	47.3	0	0	111.8	Y473 Y551 D574 M575 L580 I581 D582	Y473-Q578 HydrophobicContact CD1-CG 3.69Å; Y473-Q578 VanDerWaalsContact CD1-OE1 3.29Å; Y473-Q578 HydrophobicContact CE1-CB 4.29Å; Y473-Q578 HydrophobicContact CE1-CG 3.49Å; Y473-Q578 VanDerWaalsContact CE1-CG 3.49Å; Y473-Q578 HydrophobicContact CG-CG 4.48Å; Y551-Q578 HydrophobicContact CE1-CB 3.8Å; Y551-Q578 VanDerWaalsContact OH-C 3.31Å; Y551-Q578 WeakPolarHBondContact OH-CB 3.35Å; Y551-Q578 PolarHBondContact OH-O 3.44Å; D574-Q578 VanDerWaalsContact O-CG 3.25Å; D574-Q578 WeakPolarHBondContact O-CG 3.33Å; D574-Q578 PolarHBondContact O-N 2.83Å; D574-Q578 PolarHBondContact OD1-NE2 2.87Å; D574-Q578 PolarHBondContact OD2-NE2 3.31Å; D574-Q578 VanDerWaalsContact OD2-NE2 3.15Å; M575-Q578 VanDerWaalsContact CE-NE2 3.34Å; M575-Q578 PolarHBondContact O-N 3.19Å; Q578-L580 VanDerWaalsContact C-N 3.32Å; Q578-L580 PolarHBondContact O-N 2.88Å; Q578-I581 WeakPolarHBondContact O-CB 3.46Å; Q578-I581 PolarHBondContact O-N 3.01Å; Q578-D582 PolarHBondContact O-N 3.06Å
579	A	95.7	Very high	91.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-37.8	175.3	0	0	0	0	0	112.6	L528 F546 Y551 L570 M575 I581 D582 L583	L528-A579 HydrophobicContact CD1-CB 4.26Å; F546-A579 HydrophobicContact CD1-CB 4.09Å; F546-A579 HydrophobicContact CE1-CB 3.83Å; Y551-A579 HydrophobicContact CD1-CB 3.9Å; Y551-A579 HydrophobicContact CD2-CB 3.7Å; Y551-A579 HydrophobicContact CE1-CB 4.05Å; Y551-A579 HydrophobicContact CE2-CB 3.88Å; Y551-A579 HydrophobicContact CG-CB 3.73Å; L570-A579 HydrophobicContact CD1-CB 3.57Å; M575-A579 VanDerWaalsContact O-CB 3.27Å; M575-A579 WeakPolarHBondContact O-CB 3.2Å; M575-A579 PolarHBondContact O-N 3.17Å; A579-I581 VanDerWaalsContact C-N 3.32Å; A579-I581 PolarHBondContact O-N 3.3Å; A579-D582 PolarHBondContact O-N 2.79Å; A579-L583 VanDerWaalsContact O-CB 3.29Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 PolarHBondContact O-N 2.92Å
580	L	95.6	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-38.4	173.4	-179.6	149.3	0	0	0	111.9	T429 V433 L528 A576 I577 Q578 H584 I596 F598	T429-L580 HydrophobicContact CG2-CD2 4.09Å; V433-L580 HydrophobicContact CG2-CD1 3.87Å; V433-L580 HydrophobicContact CG2-CD2 3.73Å; V433-L580 HydrophobicContact CG2-CG 4.41Å; L528-L580 HydrophobicContact CD2-CB 4.3Å; L528-L580 HydrophobicContact CD2-CD1 4.14Å; A576-L580 VanDerWaalsContact O-CB 3.26Å; A576-L580 WeakPolarHBondContact O-CB 3.48Å; A576-L580 PolarHBondContact O-N 3.27Å; I577-L580 PolarHBondContact O-N 2.83Å; Q578-L580 VanDerWaalsContact C-N 3.32Å; Q578-L580 PolarHBondContact O-N 2.88Å; L580-H584 WeakPolarHBondContact O-CB 3.33Å; L580-H584 PolarHBondContact O-N 2.96Å; L580-I596 HydrophobicContact CB-CG2 4.1Å; L580-I596 HydrophobicContact CD1-CG2 4Å; L580-I596 HydrophobicContact CG-CB 4.33Å; L580-I596 HydrophobicContact CG-CG2 3.97Å; L580-F598 HydrophobicContact CD1-CD1 4.5Å; L580-F598 HydrophobicContact CD1-CD2 4.42Å; L580-F598 HydrophobicContact CD1-CE1 4.12Å; L580-F598 HydrophobicContact CD1-CE2 4.01Å; L580-F598 HydrophobicContact CD1-CZ 3.85Å
581	I	93.7	Very high	89.4	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.046	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-48.5	177.1	-72.3	163.5	0	0	0	111	A426 L430 L472 I577 Q578 A579	A426-I581 HydrophobicContact CB-CD1 4.45Å; A426-I581 HydrophobicContact CB-CG2 3.69Å; L430-I581 HydrophobicContact CB-CD1 4.2Å; L430-I581 HydrophobicContact CB-CG1 4.15Å; L430-I581 HydrophobicContact CD2-CD1 4.41Å; L472-I581 HydrophobicContact CD1-CD1 3.63Å; I577-I581 HydrophobicContact CG2-CD1 4.1Å; I577-I581 WeakPolarHBondContact O-CG1 3.4Å; I577-I581 PolarHBondContact O-N 3.23Å; I577-I581 VanDerWaalsContact O-N 3.09Å; Q578-I581 WeakPolarHBondContact O-CB 3.46Å; Q578-I581 PolarHBondContact O-N 3.01Å; A579-I581 VanDerWaalsContact C-N 3.32Å; A579-I581 PolarHBondContact O-N 3.3Å
582	D	91.7	Very high	88.8	Confident	56 Å²	56	42.6 Å²	42.6	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-79.3	-29.1	-170.7	-72.3	-7.8	0	0	0	114.4	Y551 Q578 A579	Y551-D582 HydrophobicContact CE2-CB 4.23Å; Y551-D582 PolarHBondContact OH-OD2 3.34Å; Q578-D582 PolarHBondContact O-N 3.06Å; A579-D582 PolarHBondContact O-N 2.79Å
583	L	92.1	Very high	88.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-107.9	-6.3	-173.2	-65	170.6	0	0	0	113.8	I545 F546 K549 Y551 A579 N585 C586 I596	I545-L583 HydrophobicContact CG2-CD1 4.46Å; I545-L583 HydrophobicContact CG2-CD2 3.6Å; F546-L583 HydrophobicContact CB-CD1 4.35Å; F546-L583 HydrophobicContact CD1-CD1 3.56Å; F546-L583 HydrophobicContact CD2-CD1 3.66Å; F546-L583 HydrophobicContact CE1-CD1 3.63Å; F546-L583 HydrophobicContact CE2-CD1 3.73Å; F546-L583 HydrophobicContact CG-CD1 3.58Å; F546-L583 HydrophobicContact CZ-CD1 3.7Å; K549-L583 HydrophobicContact CG-CD2 3.74Å; K549-L583 HydrophobicContact CG-CG 4.35Å; Y551-L583 HydrophobicContact CD2-CD1 4.29Å; A579-L583 VanDerWaalsContact O-CB 3.29Å; A579-L583 WeakPolarHBondContact O-CB 3.31Å; A579-L583 PolarHBondContact O-N 2.92Å; L583-N585 PolarHBondContact O-N 2.84Å; L583-C586 WeakPolarHBondContact O-CB 3.3Å; L583-C586 PolarHBondContact O-N 3.23Å; L583-I596 HydrophobicContact CB-CD1 3.55Å
584	H	88.2	Confident	88	Confident	22 Å²	22	41.4 Å²	41.4	10%	0.102	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	133.2	174.2	-178.2	43.4	0	0	0	111.3	T429 R509 L580 C586	T429-H584 HydrophobicContact CG2-CB 3.76Å; R509-H584 PolarHBondContact NH2-CD2 3.44Å; R509-H584 VanDerWaalsContact NH2-CD2 3.29Å; R509-H584 PolarHBondContact NH2-CE1 2.8Å; R509-H584 PolarHBondContact NH2-ND1 3.5Å; R509-H584 PolarHBondContact NH2-NE2 3.19Å; L580-H584 WeakPolarHBondContact O-CB 3.33Å; L580-H584 PolarHBondContact O-N 2.96Å; H584-C586 PolarHBondContact O-N 3.33Å
585	N	87.6	Confident	87.7	Confident	53 Å²	53	46.6 Å²	46.6	28%	0.283	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	13.2	-176.3	-158.2	73.4	0	0	0	114	L507 L583 Q587 H593 L594	L507-N585 HydrophobicContact CD2-CB 3.99Å; L507-N585 VanDerWaalsContact CD2-CG 3.43Å; L507-N585 WeakPolarHBondContact CD2-OD1 3.42Å; L583-N585 PolarHBondContact O-N 2.84Å; N585-Q587 PolarHBondContact O-N 2.84Å; N585-H593 PolarHBondContact O-ND1 3.37Å; N585-H593 WeakPolarHBondContact OD1-CB 3.42Å; N585-L594 WeakPolarHBondContact CA-O 3.42Å; N585-L594 PolarHBondContact N-O 3.19Å
586	C	84.9	Confident	87.6	Confident	44 Å²	44	44.3 Å²	44.3	30%	0.297	22%	0.221	S	C	.	.			trans	-57	134.5	167.6	-172.9	0	0	0	0	109.9	L583 H584 L588 H593 L594	L583-C586 WeakPolarHBondContact O-CB 3.3Å; L583-C586 PolarHBondContact O-N 3.23Å; H584-C586 PolarHBondContact O-N 3.33Å; C586-L588 PolarHBondContact O-N 2.86Å; C586-H593 CarbonylContact O-C 3.44Å; C586-H593 WeakPolarHBondContact O-CA 3.03Å; C586-L594 PolarHBondContact O-N 2.87Å
587	Q	81.9	Confident	87.4	Confident	111 Å²	111	45.6 Å²	45.6	52%	0.519	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.6	-178.3	-168	173	21.4	0	0	109.4	N585 T589 E590	N585-Q587 PolarHBondContact O-N 2.84Å; Q587-T589 WeakPolarHBondContact CG-O 3.46Å; Q587-E590 PolarHBondContact NE2-O 3.48Å
588	L	79.6	Confident	87.3	Confident	25 Å²	25	45.8 Å²	45.8	13%	0.131	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-39.4	176.4	-73	167.3	0	0	0	111.3	I533 I545 C586 S592 L594	I533-L588 HydrophobicContact CG1-CD1 4.36Å; I545-L588 HydrophobicContact CD1-CD2 3.47Å; I545-L588 VanDerWaalsContact CD1-CD2 3.47Å; C586-L588 PolarHBondContact O-N 2.86Å; L588-S592 PolarHBondContact N-O 3.37Å; L588-L594 HydrophobicContact CD1-CB 3.95Å; L588-L594 HydrophobicContact CD1-CD1 4.17Å; L588-L594 HydrophobicContact CG-CB 4.15Å
589	T	76.8	Confident	87.2	Confident	58 Å²	58	45.2 Å²	45.2	36%	0.356	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167	175.6	59.5	0	0	0	0	108.6	P534 I537 Q587 N591 S592	P534-T589 HydrophobicContact CB-CG2 4.47Å; P534-T589 HydrophobicContact CG-CG2 3.96Å; I537-T589 HydrophobicContact CD1-CG2 4.3Å; Q587-T589 WeakPolarHBondContact CG-O 3.46Å; T589-N591 PolarHBondContact O-N 3.37Å; T589-S592 PolarHBondContact N-O 3.03Å; T589-S592 PolarHBondContact O-N 2.69Å; T589-S592 VanDerWaalsContact OG1-CB 3.32Å; T589-S592 WeakPolarHBondContact OG1-CB 3.28Å
590	E	71.6	Confident	86.8	Confident	170 Å²	170	52.8 Å²	52.8	79%	0.794	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.8	-41.4	-178.2	-62.7	-177	162.1	0	0	113.3	Q587	Q587-E590 PolarHBondContact NE2-O 3.48Å
591	N	77	Confident	86.1	Confident	155 Å²	155	56 Å²	56	83%	0.829	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	7.2	-175.7	-64.2	0.6	0	0	0	114.6	T589	T589-N591 PolarHBondContact O-N 3.37Å
592	S	80.1	Confident	85.3	Confident	13 Å²	13	59.1 Å²	59.1	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.7	-175.5	-152.6	0	0	0	0	114.5	N532 L588 T589	N532-S592 PolarHBondContact ND2-OG 2.99Å; N532-S592 PolarHBondContact O-OG 3.01Å; L588-S592 PolarHBondContact N-O 3.37Å; T589-S592 PolarHBondContact N-O 3.03Å; T589-S592 PolarHBondContact O-N 2.69Å; T589-S592 VanDerWaalsContact OG1-CB 3.32Å; T589-S592 WeakPolarHBondContact OG1-CB 3.28Å
593	H	84.3	Confident	84.8	Confident	65 Å²	65	59 Å²	59	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.4	174.1	-66.9	-94.5	0	0	0	111.4	N532 N585 C586	N532-H593 PolarHBondContact ND2-O 2.94Å; N585-H593 PolarHBondContact O-ND1 3.37Å; N585-H593 WeakPolarHBondContact OD1-CB 3.42Å; C586-H593 CarbonylContact O-C 3.44Å; C586-H593 WeakPolarHBondContact O-CA 3.03Å
594	L	88.7	Confident	84.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	32%	0.322	C	S	.	.			trans	-68.4	129.5	178.9	-179.8	60.1	0	0	0	111.4	L530 I533 F546 N585 C586 L588 I596	L530-L594 HydrophobicContact CB-CD1 4.03Å; L530-L594 HydrophobicContact CD2-CD1 4.29Å; I533-L594 HydrophobicContact CG1-CD1 4.19Å; F546-L594 HydrophobicContact CE2-CD2 4.48Å; N585-L594 WeakPolarHBondContact CA-O 3.42Å; N585-L594 PolarHBondContact N-O 3.19Å; C586-L594 PolarHBondContact O-N 2.87Å; L588-L594 HydrophobicContact CD1-CB 3.95Å; L588-L594 HydrophobicContact CD1-CD1 4.17Å; L588-L594 HydrophobicContact CG-CB 4.15Å; L594-I596 HydrophobicContact CD2-CD1 3.88Å; L594-I596 HydrophobicContact CD2-CG1 4.09Å; L594-I596 HydrophobicContact CG-CD1 4.2Å; L594-I596 HydrophobicContact CG-CG1 3.85Å
595	R	89.3	Confident	84.2	Confident	129 Å²	129	63.9 Å²	63.9	49%	0.487	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.8	176	-75.5	-176.5	170	179.1	-3.6	110.7	L530 S531	L530-R595 CarbonylContact C-O 3.59Å; S531-R595 PolarHBondContact N-O 2.96Å; S531-R595 PolarHBondContact O-N 3.19Å; S531-R595 WeakPolarHBondContact OG-CB 3.42Å; S531-R595 PolarHBondContact OG-O 3.3Å
596	I	93	Very high	84	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.8	-171.6	-49.3	-174.5	0	0	0	109.2	R509 L528 L530 F546 L580 L583 L594	R509-I596 VanDerWaalsContact CZ-O 3.3Å; R509-I596 PolarHBondContact NH1-O 2.96Å; R509-I596 PolarHBondContact NH2-O 2.89Å; L528-I596 HydrophobicContact CB-CG2 4.02Å; L528-I596 HydrophobicContact CD1-CG2 3.92Å; L528-I596 HydrophobicContact CD2-CG2 4.18Å; L528-I596 HydrophobicContact CG-CG2 4.27Å; L530-I596 HydrophobicContact CD2-CB 4.38Å; L530-I596 HydrophobicContact CD2-CD1 4.2Å; L530-I596 HydrophobicContact CD2-CG1 3.85Å; L530-I596 HydrophobicContact CD2-CG2 4.03Å; F546-I596 HydrophobicContact CZ-CD1 4.27Å; L580-I596 HydrophobicContact CB-CG2 4.1Å; L580-I596 HydrophobicContact CD1-CG2 4Å; L580-I596 HydrophobicContact CG-CB 4.33Å; L580-I596 HydrophobicContact CG-CG2 3.97Å; L583-I596 HydrophobicContact CB-CD1 3.55Å; L594-I596 HydrophobicContact CD2-CD1 3.88Å; L594-I596 HydrophobicContact CD2-CG1 4.09Å; L594-I596 HydrophobicContact CG-CD1 4.2Å; L594-I596 HydrophobicContact CG-CG1 3.85Å
597	S	92.6	Very high	84	Confident	28 Å²	28	65.8 Å²	65.8	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	165.5	171.8	-59	0	0	0	0	109.4	R509 L528 H529	R509-S597 PolarHBondContact NH1-OG 3.35Å; L528-S597 CarbonylContact C-O 3.51Å; L528-S597 WeakPolarHBondContact CA-O 3.48Å; H529-S597 PolarHBondContact N-O 3.28Å; H529-S597 PolarHBondContact O-N 2.84Å
598	F	94.7	Very high	84.1	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.013	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.1	170.7	-59.7	-68.1	0	0	0	111.4	L430 V433 Y434 Y522 A523 P524 L528 I577 L580	L430-F598 HydrophobicContact CD1-CE2 4.42Å; L430-F598 HydrophobicContact CD1-CZ 4.23Å; V433-F598 HydrophobicContact CG1-CD2 4.05Å; V433-F598 HydrophobicContact CG1-CE2 4.32Å; Y434-F598 HydrophobicContact CE2-CE2 4.24Å; Y434-F598 VanDerWaalsContact OH-CD2 3.24Å; Y434-F598 WeakPolarHBondContact OH-CD2 3.36Å; Y434-F598 VanDerWaalsContact OH-CE2 3.25Å; Y434-F598 WeakPolarHBondContact OH-CE2 3.42Å; Y522-F598 WeakPolarHBondContact CD2-O 3.3Å; A523-F598 WeakPolarHBondContact O-CB 3.36Å; P524-F598 HydrophobicContact CB-CD1 4.32Å; P524-F598 HydrophobicContact CB-CE1 4.03Å; P524-F598 HydrophobicContact CB-CE2 4.33Å; P524-F598 HydrophobicContact CB-CZ 4.05Å; P524-F598 HydrophobicContact CG-CD2 4.43Å; P524-F598 HydrophobicContact CG-CE2 4.1Å; P524-F598 HydrophobicContact CG-CZ 4.21Å; L528-F598 HydrophobicContact CD2-CD1 3.64Å; L528-F598 HydrophobicContact CD2-CE1 3.83Å; I577-F598 HydrophobicContact CG1-CE1 4.02Å; I577-F598 HydrophobicContact CG1-CZ 3.83Å; L580-F598 HydrophobicContact CD1-CD1 4.5Å; L580-F598 HydrophobicContact CD1-CD2 4.42Å; L580-F598 HydrophobicContact CD1-CE1 4.12Å; L580-F598 HydrophobicContact CD1-CE2 4.01Å; L580-F598 HydrophobicContact CD1-CZ 3.85Å
599	S	91.6	Very high	84.4	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.042	34%	0.34	C	S	.	.			trans	-90.6	139.4	178.7	-175.9	0	0	0	0	112.4	V527 L567 T601	V527-S599 WeakPolarHBondContact O-CB 3.25Å; V527-S599 PolarHBondContact O-N 2.9Å; L567-S599 WeakPolarHBondContact CD2-OG 3.41Å; S599-T601 WeakPolarHBondContact CB-O 3.31Å; S599-T601 PolarHBondContact OG-N 3.11Å; S599-T601 PolarHBondContact OG-O 2.67Å; S599-T601 PolarHBondContact OG-OG1 3.46Å
600	K	87.2	Confident	85	Confident	158 Å²	158	66 Å²	66	69%	0.687	34%	0.339	S	S	*	.	S	Bend	trans	-69.6	-34.4	166	-169.5	-175.7	-179.9	178.4	0	112.3	Y522	Y522-K600 HydrophobicContact CD1-CB 3.76Å; Y522-K600 HydrophobicContact CD1-CD 4.38Å; Y522-K600 HydrophobicContact CD1-CG 3.97Å; Y522-K600 HydrophobicContact CD2-CB 4.05Å; Y522-K600 HydrophobicContact CE1-CB 3.63Å; Y522-K600 HydrophobicContact CE1-CD 3.67Å; Y522-K600 HydrophobicContact CE1-CG 3.75Å; Y522-K600 HydrophobicContact CE2-CB 3.91Å; Y522-K600 HydrophobicContact CG-CB 3.98Å
601	T	81	Confident	86	Confident	69 Å²	69	58 Å²	58	42%	0.423	30%	0.304	S	S	.	.	S	Bend	trans	-102	140.2	-172.3	51.7	0	0	0	0	110.6	L567 S599	L567-T601 WeakPolarHBondContact CD1-OG1 3.21Å; S599-T601 WeakPolarHBondContact CB-O 3.31Å; S599-T601 PolarHBondContact OG-N 3.11Å; S599-T601 PolarHBondContact OG-O 2.67Å; S599-T601 PolarHBondContact OG-OG1 3.46Å
602	A	78.5	Confident	86.7	Confident	73 Å²	73	49.9 Å²	49.9	60%	0.603	26%	0.26	S	S	*	.			trans	-62.6	167.9	155.3	0	0	0	0	0	110.2
603	I	79.9	Confident	87.3	Confident	53 Å²	53	53.3 Å²	53.3	27%	0.272	28%	0.276	S	S	.	.			trans	-74.7	0	177.6	-61.5	-158.2	0	0	0	110.7	V527 D555 K557 L567 Q569	V527-I603 HydrophobicContact CG1-CD1 4.34Å; V527-I603 HydrophobicContact CG1-CG1 3.89Å; V527-I603 HydrophobicContact CG2-CG1 4.43Å; D555-I603 HydrophobicContact CB-CD1 4.12Å; D555-I603 HydrophobicContact CB-CG2 4.48Å; D555-I603 WeakPolarHBondContact OD2-CG2 3.43Å; K557-I603 HydrophobicContact CB-CG2 3.63Å; K557-I603 HydrophobicContact CD-CG2 3.72Å; K557-I603 VanDerWaalsContact CD-OXT 3.3Å; K557-I603 WeakPolarHBondContact CD-OXT 3.37Å; K557-I603 HydrophobicContact CG-CG2 4.37Å; K557-I603 PolarHBondContact NZ-OXT 2.74Å; L567-I603 HydrophobicContact CB-CD1 3.82Å; L567-I603 HydrophobicContact CB-CG1 3.84Å; L567-I603 HydrophobicContact CD1-CG1 4.4Å; Q569-I603 HydrophobicContact CB-CD1 3.74Å; Q569-I603 HydrophobicContact CB-CG1 4.29Å

Retrieved 603 of 603 residues in 918.6 ms (Link to these results)

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