A0A3Q0KBG7_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 718 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	43.3	Very low	43.1	Very low	227 Å²	227	166.3 Å²	166.3	100%	1.118	80%	0.8	S	S	*	*				0	104.6	0	-81.1	-178.5	170.1	0	0	107.2	I3	M1-I3 PolarHBondContact O-N 2.7Å
2	N	39.4	Very low	42.5	Very low	175 Å²	175	161.3 Å²	161.3	94%	0.936	80%	0.795	S	S	*	*			trans	-75.6	104.8	173.2	-81.1	-7.7	0	0	0	107.5	D4	N2-D4 PolarHBondContact O-N 3.44Å
3	I	44.8	Very low	41.7	Very low	131 Å²	131	162.9 Å²	162.9	67%	0.672	80%	0.799	S	S	*	*			trans	-87.6	106.6	176.6	-61.5	168.7	0	0	0	106.2	M1 Q5	M1-I3 PolarHBondContact O-N 2.7Å; I3-Q5 PolarHBondContact O-N 3.35Å
4	D	43.1	Very low	41	Very low	133 Å²	133	163.8 Å²	163.8	71%	0.711	80%	0.801	S	S	*	*			trans	-64.5	108.3	176.9	-116	-20.4	0	0	0	109.9	N2 S6	N2-D4 PolarHBondContact O-N 3.44Å; D4-S6 PolarHBondContact O-N 3.14Å
5	Q	47.1	Very low	40.5	Very low	151 Å²	151	163.1 Å²	163.1	71%	0.706	80%	0.8	S	S	*	*	G	3₁₀ helix	trans	-79.2	-1.1	-174.8	-69.1	-179.6	-9.5	0	0	113.7	I3 K7	I3-Q5 PolarHBondContact O-N 3.35Å; Q5-K7 VanDerWaalsContact C-N 3.29Å; Q5-K7 PolarHBondContact O-N 3.44Å
6	S	50.8	Low	40.2	Very low	88 Å²	88	159.9 Å²	159.9	62%	0.615	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-73.1	-15.5	-177.9	54.4	0	0	0	0	114.3	D4	D4-S6 PolarHBondContact O-N 3.14Å
7	K	46.2	Very low	39.8	Very low	186 Å²	186	161.8 Å²	161.8	81%	0.809	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-87.6	-0.3	-179.3	-86.9	-174.4	176	179.9	0	115.8	Q5	Q5-K7 VanDerWaalsContact C-N 3.29Å; Q5-K7 PolarHBondContact O-N 3.44Å
8	Y	47.6	Very low	39.6	Very low	196 Å²	196	161.3 Å²	161.3	77%	0.769	80%	0.802	S	S	*	*			trans	-125.8	34	-173.8	-60.6	-76	0	0	0	114.3
9	Y	40.3	Very low	39.3	Very low	194 Å²	194	160.7 Å²	160.7	76%	0.761	80%	0.803	S	S	*	*			trans	-93.1	113.9	164.4	-78.7	-82.9	0	0	0	109.5	E11	Y9-E11 PolarHBondContact O-N 3.27Å
10	I	37.6	Very low	39	Very low	164 Å²	164	160.6 Å²	160.6	84%	0.841	80%	0.804	S	S	*	*			trans	-78.8	109.1	160.4	-61.9	166.3	0	0	0	104.5	S12	I10-S12 PolarHBondContact O-N 3.46Å
11	E	34.2	Very low	38.7	Very low	184 Å²	184	157.3 Å²	157.3	86%	0.86	80%	0.803	S	S	*	*			trans	-57.5	119.5	171	-84.9	179.1	154.7	0	0	108.6	Y9 E13	Y9-E11 PolarHBondContact O-N 3.27Å; E11-E13 PolarHBondContact O-N 3.33Å; E11-E13 VanDerWaalsContact O-N 3.11Å
12	S	35.2	Very low	38.1	Very low	106 Å²	106	152.4 Å²	152.4	74%	0.741	79%	0.79	S	S	*	*			trans	-76	94.8	172.3	54	0	0	0	0	107.9	I10 Q14	I10-S12 PolarHBondContact O-N 3.46Å; S12-Q14 PolarHBondContact O-N 2.94Å
13	E	31.8	Very low	37.6	Very low	183 Å²	183	149.2 Å²	149.2	86%	0.855	78%	0.782	S	S	*	*			trans	-62.2	108.6	170.9	-155.8	168	-159	0	0	108.3	E11 I15	E11-E13 PolarHBondContact O-N 3.33Å; E11-E13 VanDerWaalsContact O-N 3.11Å; E13-I15 PolarHBondContact O-N 3.29Å
14	Q	32.3	Very low	37.1	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	79%	0.789	S	S	*	*			trans	-74.7	107.7	173.7	-76.7	172.5	-28.5	0	0	107.3	S12 P16	S12-Q14 PolarHBondContact O-N 2.94Å; Q14-P16 WeakPolarHBondContact O-CD 3.49Å
15	I	33.3	Very low	36.5	Very low	153 Å²	153	150.3 Å²	150.3	79%	0.785	79%	0.792	S	S	*	*			trans	-71.4	112.4	169.4	-56.8	166.9	0	0	0	106.4	E13 E17	E13-I15 PolarHBondContact O-N 3.29Å; I15-E17 PolarHBondContact O-N 3.15Å
16	P	35.5	Very low	35.7	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	79%	0.793	S	S	*	*			trans	-71.4	122.2	175.5	-10.8	28.9	0	0	0	108.4	Q14 D18	Q14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-D18 PolarHBondContact O-N 3Å; P16-D18 VanDerWaalsContact O-N 3.12Å
17	E	34.2	Very low	34.8	Very low	191 Å²	191	150 Å²	150	89%	0.893	80%	0.8	S	S	*	*			trans	-70.5	97.1	168.2	-67.3	-173.1	163.6	0	0	107.9	I15	I15-E17 PolarHBondContact O-N 3.15Å
18	D	35.6	Very low	33.9	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	80%	0.799	S	S	*	*			trans	-129.2	125.6	159.3	-111.4	-20.7	0	0	0	109.6	P16 N20	P16-D18 PolarHBondContact O-N 3Å; P16-D18 VanDerWaalsContact O-N 3.12Å; D18-N20 PolarHBondContact O-N 3.49Å
19	D	33.4	Very low	33.3	Very low	151 Å²	151	148 Å²	148	81%	0.807	80%	0.802	S	S	*	*			trans	-50.6	112.4	176	-73.2	-44.6	0	0	0	110.5
20	N	33.8	Very low	32.8	Very low	157 Å²	157	145.9 Å²	145.9	84%	0.84	80%	0.799	S	S	*	*			trans	-171.8	117.7	136.6	-89.9	-35.9	0	0	0	110.4	D18	D18-N20 PolarHBondContact O-N 3.49Å
21	A	32.5	Very low	32.6	Very low	93 Å²	93	144.7 Å²	144.7	77%	0.769	79%	0.794	S	S	*	*			trans	-53.4	146.6	164.5	0	0	0	0	0	110.5
22	S	30.9	Very low	32.5	Very low	123 Å²	123	143.7 Å²	143.7	86%	0.86	79%	0.794	S	S	*	*			trans	68.3	79.2	172.2	55.8	0	0	0	0	117.7
23	S	29.1	Very low	32.8	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	79%	0.792	S	S	*	*			trans	-147.4	106.7	133.2	58.6	0	0	0	0	110.1	V25	S23-V25 PolarHBondContact O-N 2.99Å
24	I	34	Very low	32.7	Very low	160 Å²	160	143 Å²	143	82%	0.821	79%	0.793	S	S	*	*			trans	-61.8	116.9	163.9	-93.6	164.7	0	0	0	106.3	S26	I24-S26 PolarHBondContact O-N 3.1Å
25	V	30.9	Very low	32.9	Very low	127 Å²	127	140 Å²	140	77%	0.77	79%	0.788	S	S	*	*			trans	-63.4	107.1	173.6	176.3	0	0	0	0	107.2	S23 V27	S23-V25 PolarHBondContact O-N 2.99Å; V25-V27 PolarHBondContact O-N 2.89Å
26	S	31	Very low	33.5	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	79%	0.789	S	S	*	*			trans	-64.2	112.1	175.1	-24.9	0	0	0	0	107.9	I24 K28	I24-S26 PolarHBondContact O-N 3.1Å; S26-K28 PolarHBondContact O-N 3.17Å
27	V	32.4	Very low	34	Very low	127 Å²	127	141.1 Å²	141.1	77%	0.77	79%	0.79	S	S	*	*			trans	-70.7	120.9	172.2	175.5	0	0	0	0	107.8	V25 I29	V25-V27 PolarHBondContact O-N 2.89Å; V27-I29 PolarHBondContact O-N 3.15Å
28	K	26.7	Very low	34.7	Very low	180 Å²	180	137.7 Å²	137.7	78%	0.783	78%	0.777	S	S	*	*			trans	-63.4	112.3	174.4	-68	178.1	176.9	-177	0	109.3	S26	S26-K28 PolarHBondContact O-N 3.17Å
29	I	35.4	Very low	35.6	Very low	161 Å²	161	137.5 Å²	137.5	83%	0.826	78%	0.777	S	S	*	*			trans	-98.8	90.3	161.4	-60.4	173.4	0	0	0	104.7	V27	V27-I29 PolarHBondContact O-N 3.15Å
30	E	29	Very low	37	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	77%	0.77	S	S	*	*			trans	-66.3	148.6	158.6	-74.1	172.2	169.1	0	0	108.2
31	D	33	Very low	38.7	Very low	139 Å²	139	134.5 Å²	134.5	74%	0.743	76%	0.755	S	S	*	*			trans	96.7	100.7	166	-56.7	-25	0	0	0	118.8
32	L	32.8	Very low	40.7	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	75%	0.748	S	S	*	*			trans	104.9	145.6	138.9	-61.2	151.4	0	0	0	118.3
33	P	40.9	Very low	43	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	73%	0.725	S	S	*	*				-125.4	160.6	-68.4	29.7	-10.9	0	0	0	112.4	T35	P33-T35 PolarHBondContact O-N 3.5Å
34	D	30.2	Very low	45.2	Very low	167 Å²	167	131.8 Å²	131.8	89%	0.893	71%	0.712	S	S	*	*			trans	-48.5	118.9	174.2	-64	-44.1	0	0	0	113.3
35	T	36.2	Very low	47.5	Very low	114 Å²	114	127.2 Å²	127.2	70%	0.699	69%	0.692	S	S	*	*			trans	-124.6	94.6	158.1	55.6	0	0	0	0	109.3	P33 K37	P33-T35 PolarHBondContact O-N 3.5Å; T35-K37 PolarHBondContact O-N 2.72Å
36	S	46.6	Very low	49.9	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	68%	0.682	S	S	*	*			trans	-54.8	67	175.3	58.6	0	0	0	0	114.7
37	K	45.3	Very low	52.5	Low	173 Å²	173	128.9 Å²	128.9	75%	0.752	68%	0.676	S	S	*	*			trans	-135.2	11.1	169.7	-70.6	-163.9	175.9	-173.8	0	114.2	T35 D39	T35-K37 PolarHBondContact O-N 2.72Å; K37-D39 VanDerWaalsContact C-N 3.29Å; K37-D39 PolarHBondContact O-N 2.96Å
38	D	48.2	Very low	55	Low	119 Å²	119	126.5 Å²	126.5	64%	0.636	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74	-18.5	177.3	-68.9	-24.4	0	0	0	113.2	E40 L41	D38-E40 PolarHBondContact O-N 2.76Å; D38-E40 VanDerWaalsContact O-N 3.13Å; D38-L41 PolarHBondContact O-N 3.5Å
39	D	55.9	Low	57.8	Low	150 Å²	150	121.6 Å²	121.6	80%	0.802	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-66.6	-14.8	179.5	-66.8	-23.8	0	0	0	113.9	K37	K37-D39 VanDerWaalsContact C-N 3.29Å; K37-D39 PolarHBondContact O-N 2.96Å
40	E	62.1	Low	60.2	Low	144 Å²	144	119.5 Å²	119.5	67%	0.673	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-95	-14.4	173.7	-71.7	-171.8	167.6	0	0	113.4	D38 P43 L44	D38-E40 PolarHBondContact O-N 2.76Å; D38-E40 VanDerWaalsContact O-N 3.13Å; E40-P43 WeakPolarHBondContact O-CD 3.46Å; E40-P43 WeakPolarHBondContact O-CG 3.37Å; E40-L44 WeakPolarHBondContact O-CD1 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å
41	L	69.4	Low	62.8	Low	100 Å²	100	115.9 Å²	115.9	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-76.6	-45.1	-174.3	-169	68.4	0	0	0	111.8	D38 L44 V45	D38-L41 PolarHBondContact O-N 3.5Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.14Å; L41-V45 HydrophobicContact CD1-CG2 4.45Å; L41-V45 HydrophobicContact CG-CG2 4.16Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 2.94Å
42	D	74.9	Confident	65.4	Low	114 Å²	114	113 Å²	113	61%	0.61	60%	0.602	S	S	*	*	H	α-helix	trans	-57.9	-47	179.9	-79.3	-10.8	0	0	0	114.3	L44 V45 L46	D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.38Å; D42-V45 PolarHBondContact O-N 3.43Å; D42-L46 WeakPolarHBondContact O-CG 3.44Å; D42-L46 PolarHBondContact O-N 2.79Å
43	P	78.3	Confident	67.8	Low	61 Å²	61	112 Å²	112	40%	0.396	59%	0.591	S	S	.	*	H	α-helix	trans	-69.7	-26.3	176.3	26.1	-33.8	0	0	0	112.9	E40 R47	E40-P43 WeakPolarHBondContact O-CD 3.46Å; E40-P43 WeakPolarHBondContact O-CG 3.37Å; P43-R47 WeakPolarHBondContact O-CB 3.41Å; P43-R47 PolarHBondContact O-N 3.37Å; P43-R47 VanDerWaalsContact O-N 3.13Å
44	L	75.2	Confident	69.8	Low	92 Å²	92	111.8 Å²	111.8	48%	0.482	58%	0.584	S	S	.	*	H	α-helix	trans	-72.8	-42.7	173.1	-75.7	174.4	0	0	0	111.5	E40 L41 D42 R47 V48	E40-L44 WeakPolarHBondContact O-CD1 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; L41-L44 PolarHBondContact O-N 2.79Å; L41-L44 VanDerWaalsContact O-N 3.14Å; D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.38Å; L44-R47 PolarHBondContact O-N 3.19Å; L44-V48 WeakPolarHBondContact O-CB 3.36Å; L44-V48 VanDerWaalsContact O-CG2 3.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.37Å; L44-V48 PolarHBondContact O-N 3.38Å
45	V	82.1	Confident	72	Confident	65 Å²	65	106.9 Å²	106.9	39%	0.394	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-42.2	176.5	171.2	0	0	0	0	110.9	L41 D42 V48 N49	L41-V45 HydrophobicContact CD1-CG2 4.45Å; L41-V45 HydrophobicContact CG-CG2 4.16Å; L41-V45 VanDerWaalsContact O-CG2 3.3Å; L41-V45 WeakPolarHBondContact O-CG2 3.4Å; L41-V45 PolarHBondContact O-N 2.94Å; D42-V45 PolarHBondContact O-N 3.43Å; V45-V48 PolarHBondContact O-N 3.25Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.32Å; V45-N49 PolarHBondContact O-N 3.29Å; V45-N49 PolarHBondContact O-ND2 3.35Å
46	L	83.2	Confident	74.1	Confident	108 Å²	108	106.1 Å²	106.1	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-61.5	-46	174.4	-79.5	166.6	0	0	0	111.9	D42 V48 N49 E50	D42-L46 WeakPolarHBondContact O-CG 3.44Å; D42-L46 PolarHBondContact O-N 2.79Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 2.83Å; L46-N49 PolarHBondContact O-N 3.43Å; L46-E50 WeakPolarHBondContact O-CG 3.35Å; L46-E50 PolarHBondContact O-N 2.95Å
47	R	83.9	Confident	75.4	Confident	158 Å²	158	102.8 Å²	102.8	60%	0.596	53%	0.531	S	S	*	.	H	α-helix	trans	-64.1	-39.3	178.3	-158.8	-177.8	-56	175.6	4.7	111.9	P43 L44 E50 T51	P43-R47 WeakPolarHBondContact O-CB 3.41Å; P43-R47 PolarHBondContact O-N 3.37Å; P43-R47 VanDerWaalsContact O-N 3.13Å; L44-R47 PolarHBondContact O-N 3.19Å; R47-E50 PolarHBondContact O-N 3.36Å; R47-T51 WeakPolarHBondContact O-CG2 3.25Å; R47-T51 PolarHBondContact O-N 2.87Å; R47-T51 PolarHBondContact O-OG1 3.4Å
48	V	85.1	Confident	76.8	Confident	78 Å²	78	101.3 Å²	101.3	47%	0.473	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-46.2	174.2	168.9	0	0	0	0	110.4	L44 V45 L46 E50 T51 I52	L44-V48 WeakPolarHBondContact O-CB 3.36Å; L44-V48 VanDerWaalsContact O-CG2 3.28Å; L44-V48 WeakPolarHBondContact O-CG2 3.37Å; L44-V48 PolarHBondContact O-N 3.38Å; V45-V48 PolarHBondContact O-N 3.25Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 2.83Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 2.95Å; V48-T51 WeakPolarHBondContact CA-OG1 3.49Å; V48-T51 PolarHBondContact O-N 2.86Å; V48-T51 PolarHBondContact O-OG1 3.44Å; V48-I52 HydrophobicContact CG1-CD1 3.76Å; V48-I52 HydrophobicContact CG1-CG1 4.39Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.47Å; V48-I52 PolarHBondContact O-N 3.06Å
49	N	85.5	Confident	77.9	Confident	76 Å²	76	102.8 Å²	102.8	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-36.9	177.2	-76.8	-22.6	0	0	0	112.9	V45 L46 I52 K53	V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.32Å; V45-N49 PolarHBondContact O-N 3.29Å; V45-N49 PolarHBondContact O-ND2 3.35Å; L46-N49 PolarHBondContact O-N 3.43Å; N49-I52 PolarHBondContact O-N 3.32Å; N49-K53 WeakPolarHBondContact O-CB 3.32Å; N49-K53 VanDerWaalsContact O-CG 3.31Å; N49-K53 WeakPolarHBondContact O-CG 3.42Å; N49-K53 PolarHBondContact O-N 3.49Å
50	E	86.2	Confident	78.3	Confident	118 Å²	118	104.4 Å²	104.4	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-65.4	-44.6	172.6	-74.8	176.6	171.1	0	0	111.2	L46 R47 V48 I52 K53 D54	L46-E50 WeakPolarHBondContact O-CG 3.35Å; L46-E50 PolarHBondContact O-N 2.95Å; R47-E50 PolarHBondContact O-N 3.36Å; V48-E50 VanDerWaalsContact C-N 3.33Å; V48-E50 PolarHBondContact O-N 2.95Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 PolarHBondContact O-N 3.18Å; E50-K53 PolarHBondContact O-N 3.08Å; E50-D54 WeakPolarHBondContact O-CB 3.48Å; E50-D54 PolarHBondContact O-N 3.49Å
51	T	84.5	Confident	78.1	Confident	73 Å²	73	104.9 Å²	104.9	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-33.8	175.8	58.3	0	0	0	0	113.1	R47 V48 S55	R47-T51 WeakPolarHBondContact O-CG2 3.25Å; R47-T51 PolarHBondContact O-N 2.87Å; R47-T51 PolarHBondContact O-OG1 3.4Å; V48-T51 WeakPolarHBondContact CA-OG1 3.49Å; V48-T51 PolarHBondContact O-N 2.86Å; V48-T51 PolarHBondContact O-OG1 3.44Å; T51-S55 VanDerWaalsContact O-CB 3.31Å; T51-S55 WeakPolarHBondContact O-CB 3.43Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 2.92Å
52	I	87.6	Confident	77.4	Confident	78 Å²	78	105.8 Å²	105.8	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-48.3	173.6	-69.2	165.4	0	0	0	109.5	V48 N49 E50 D54 S55 E56	V48-I52 HydrophobicContact CG1-CD1 3.76Å; V48-I52 HydrophobicContact CG1-CG1 4.39Å; V48-I52 VanDerWaalsContact O-CG1 3.28Å; V48-I52 WeakPolarHBondContact O-CG1 3.47Å; V48-I52 PolarHBondContact O-N 3.06Å; N49-I52 PolarHBondContact O-N 3.32Å; E50-I52 VanDerWaalsContact C-N 3.31Å; E50-I52 PolarHBondContact O-N 3.18Å; I52-D54 VanDerWaalsContact C-N 3.33Å; I52-D54 PolarHBondContact O-N 2.95Å; I52-S55 CarbonylContact O-C 3.56Å; I52-S55 WeakPolarHBondContact O-CB 3.42Å; I52-S55 PolarHBondContact O-N 3.06Å; I52-S55 VanDerWaalsContact O-N 3.12Å; I52-E56 HydrophobicContact CG2-CG 4.41Å; I52-E56 WeakPolarHBondContact O-CG 3.49Å; I52-E56 PolarHBondContact O-N 2.87Å
53	K	83.4	Confident	76.3	Confident	141 Å²	141	103 Å²	103	61%	0.613	53%	0.527	S	S	*	.	H	α-helix	trans	-61.6	-39.3	176.9	-74.7	175.2	-178.5	177.5	0	112.7	N49 E50 S55 E56 A57	N49-K53 WeakPolarHBondContact O-CB 3.32Å; N49-K53 VanDerWaalsContact O-CG 3.31Å; N49-K53 WeakPolarHBondContact O-CG 3.42Å; N49-K53 PolarHBondContact O-N 3.49Å; E50-K53 PolarHBondContact O-N 3.08Å; K53-S55 VanDerWaalsContact C-N 3.33Å; K53-E56 PolarHBondContact O-N 2.89Å; K53-A57 VanDerWaalsContact O-CB 3.24Å; K53-A57 WeakPolarHBondContact O-CB 3.29Å; K53-A57 PolarHBondContact O-N 3.4Å
54	D	81	Confident	74.8	Confident	103 Å²	103	106.3 Å²	106.3	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-67.8	-35.2	175	-81.2	-7.2	0	0	0	111.7	E50 I52 A57 K58	E50-D54 WeakPolarHBondContact O-CB 3.48Å; E50-D54 PolarHBondContact O-N 3.49Å; I52-D54 VanDerWaalsContact C-N 3.33Å; I52-D54 PolarHBondContact O-N 2.95Å; D54-A57 PolarHBondContact O-N 3.41Å; D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 WeakPolarHBondContact O-CG 3.26Å; D54-K58 PolarHBondContact O-N 3.44Å
55	S	77.1	Confident	73	Confident	65 Å²	65	106 Å²	106	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-69.5	-44.5	174.9	-57	0	0	0	0	110.9	T51 I52 K53 A57 K58 E59	T51-S55 VanDerWaalsContact O-CB 3.31Å; T51-S55 WeakPolarHBondContact O-CB 3.43Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 2.92Å; I52-S55 CarbonylContact O-C 3.56Å; I52-S55 WeakPolarHBondContact O-CB 3.42Å; I52-S55 PolarHBondContact O-N 3.06Å; I52-S55 VanDerWaalsContact O-N 3.12Å; K53-S55 VanDerWaalsContact C-N 3.33Å; S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 2.95Å; S55-K58 PolarHBondContact O-N 2.98Å; S55-E59 WeakPolarHBondContact O-CG 3.4Å; S55-E59 PolarHBondContact O-N 3.13Å
56	E	79.9	Confident	70.9	Confident	97 Å²	97	111.4 Å²	111.4	45%	0.453	57%	0.565	S	S	.	*	H	α-helix	trans	-60.8	-38.5	172.1	-72.4	177.4	178.9	0	0	111.6	I52 K53 R60	I52-E56 HydrophobicContact CG2-CG 4.41Å; I52-E56 WeakPolarHBondContact O-CG 3.49Å; I52-E56 PolarHBondContact O-N 2.87Å; K53-E56 PolarHBondContact O-N 2.89Å; E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 VanDerWaalsContact O-CG 3.26Å; E56-R60 WeakPolarHBondContact O-CG 3.33Å; E56-R60 PolarHBondContact O-N 3Å
57	A	75.2	Confident	68.8	Low	46 Å²	46	112.3 Å²	112.3	38%	0.38	57%	0.57	S	S	.	*	H	α-helix	trans	-69.3	-39.7	176.1	0	0	0	0	0	111.9	K53 D54 S55 R60 F61	K53-A57 VanDerWaalsContact O-CB 3.24Å; K53-A57 WeakPolarHBondContact O-CB 3.29Å; K53-A57 PolarHBondContact O-N 3.4Å; D54-A57 PolarHBondContact O-N 3.41Å; S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 2.95Å; A57-R60 WeakPolarHBondContact O-CB 3.46Å; A57-R60 PolarHBondContact O-N 3.26Å; A57-F61 WeakPolarHBondContact O-CB 3.46Å; A57-F61 PolarHBondContact O-N 3.23Å
58	K	74.6	Confident	66.5	Low	141 Å²	141	111.7 Å²	111.7	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-67	-42.1	173.4	-80.2	177.2	-177.4	172.8	0	112.2	D54 S55 R60 F61 D62	D54-K58 WeakPolarHBondContact O-CB 3.45Å; D54-K58 WeakPolarHBondContact O-CG 3.26Å; D54-K58 PolarHBondContact O-N 3.44Å; S55-K58 PolarHBondContact O-N 2.98Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 PolarHBondContact O-N 3.49Å; K58-F61 CarbonylContact O-C 3.55Å; K58-F61 PolarHBondContact O-N 3.35Å; K58-D62 WeakPolarHBondContact O-CB 3.38Å; K58-D62 PolarHBondContact O-N 3.42Å
59	E	70.1	Confident	64.2	Low	151 Å²	151	116.7 Å²	116.7	71%	0.706	60%	0.595	S	S	*	*	H	α-helix	trans	-61.3	-37.4	173.6	-75.3	-174	169.6	0	0	111.3	S55 G63	S55-E59 WeakPolarHBondContact O-CG 3.4Å; S55-E59 PolarHBondContact O-N 3.13Å; E59-G63 PolarHBondContact O-N 2.63Å
60	R	65.4	Low	62.1	Low	184 Å²	184	118.2 Å²	118.2	69%	0.694	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-36.7	170.4	-73.1	176.2	-172.6	-170.9	5.1	112.7	E56 A57 K58 L64	E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 VanDerWaalsContact O-CG 3.26Å; E56-R60 WeakPolarHBondContact O-CG 3.33Å; E56-R60 PolarHBondContact O-N 3Å; A57-R60 WeakPolarHBondContact O-CB 3.46Å; A57-R60 PolarHBondContact O-N 3.26Å; K58-R60 VanDerWaalsContact C-N 3.25Å; K58-R60 PolarHBondContact O-N 3.49Å; R60-L64 WeakPolarHBondContact O-CD1 3.38Å; R60-L64 WeakPolarHBondContact O-CG 3.36Å; R60-L64 PolarHBondContact O-N 3.3Å
61	F	57.7	Low	59.8	Low	153 Å²	153	120.3 Å²	120.3	67%	0.671	62%	0.621	S	S	*	*	H	α-helix	trans	-79.6	-39.3	-178.2	-124.5	-82.6	0	0	0	113.6	A57 K58 G63 L64 S65	A57-F61 WeakPolarHBondContact O-CB 3.46Å; A57-F61 PolarHBondContact O-N 3.23Å; K58-F61 CarbonylContact O-C 3.55Å; K58-F61 PolarHBondContact O-N 3.35Å; F61-G63 PolarHBondContact O-N 3.42Å; F61-L64 CarbonylContact O-C 3.6Å; F61-L64 WeakPolarHBondContact O-CA 3.48Å; F61-L64 WeakPolarHBondContact O-CB 3.37Å; F61-L64 PolarHBondContact O-N 2.99Å; F61-S65 PolarHBondContact O-N 3.05Å; F61-S65 VanDerWaalsContact O-N 3.12Å
62	D	54.5	Low	57.6	Low	119 Å²	119	122.9 Å²	122.9	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-68.7	-28.7	172	-72.3	-14.1	0	0	0	110	K58 L64 S65	K58-D62 WeakPolarHBondContact O-CB 3.38Å; K58-D62 PolarHBondContact O-N 3.42Å; D62-L64 PolarHBondContact O-N 3.33Å; D62-S65 PolarHBondContact O-N 2.93Å; D62-S65 PolarHBondContact O-OG 3.24Å; D62-S65 VanDerWaalsContact O-OG 3.05Å
63	G	52.6	Low	55.5	Low	57 Å²	57	123.5 Å²	123.5	59%	0.588	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-16.3	165	0	0	0	0	0	114.3	E59 F61	E59-G63 PolarHBondContact O-N 2.63Å; F61-G63 PolarHBondContact O-N 3.42Å
64	L	46.7	Very low	53.8	Low	129 Å²	129	121.4 Å²	121.4	68%	0.675	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-9.1	179.7	-74.5	161	0	0	0	113.5	R60 F61 D62 F66	R60-L64 WeakPolarHBondContact O-CD1 3.38Å; R60-L64 WeakPolarHBondContact O-CG 3.36Å; R60-L64 PolarHBondContact O-N 3.3Å; F61-L64 CarbonylContact O-C 3.6Å; F61-L64 WeakPolarHBondContact O-CA 3.48Å; F61-L64 WeakPolarHBondContact O-CB 3.37Å; F61-L64 PolarHBondContact O-N 2.99Å; D62-L64 PolarHBondContact O-N 3.33Å; L64-F66 PolarHBondContact O-N 2.86Å
65	S	37.3	Very low	52.6	Low	85 Å²	85	120.3 Å²	120.3	59%	0.594	65%	0.648	S	S	*	*			trans	-78.7	60.7	167.9	61.7	0	0	0	0	110.3	F61 D62	F61-S65 PolarHBondContact O-N 3.05Å; F61-S65 VanDerWaalsContact O-N 3.12Å; D62-S65 PolarHBondContact O-N 2.93Å; D62-S65 PolarHBondContact O-OG 3.24Å; D62-S65 VanDerWaalsContact O-OG 3.05Å
66	F	37.7	Very low	52.1	Low	180 Å²	180	118.7 Å²	118.7	79%	0.789	64%	0.636	S	S	*	*			trans	-90.1	122.6	160.7	-123.4	-90.2	0	0	0	107.8	L64 V68	L64-F66 PolarHBondContact O-N 2.86Å; F66-V68 PolarHBondContact O-N 3.33Å
67	D	38.2	Very low	51.5	Low	127 Å²	127	116.9 Å²	116.9	68%	0.679	63%	0.632	S	S	*	*			trans	-40.6	125.3	172.7	-68.1	-47.1	0	0	0	110.4	Y69	D67-Y69 HydrophobicContact CB-CD2 4.06Å; D67-Y69 HydrophobicContact CB-CE2 4.13Å; D67-Y69 PolarHBondContact O-N 3.04Å
68	V	36.6	Very low	51.4	Low	145 Å²	145	116 Å²	116	88%	0.879	62%	0.62	S	S	*	*			trans	-67.6	74.3	169.5	-176	0	0	0	0	107.1	F66 S70	F66-V68 PolarHBondContact O-N 3.33Å; V68-S70 PolarHBondContact O-N 3.02Å; V68-S70 VanDerWaalsContact O-N 3.15Å
69	Y	36.9	Very low	51.4	Low	182 Å²	182	113.9 Å²	113.9	71%	0.714	61%	0.613	S	S	*	*			trans	-60	118.1	151.5	-82.3	-82.4	0	0	0	104.9	D67 Q71	D67-Y69 HydrophobicContact CB-CD2 4.06Å; D67-Y69 HydrophobicContact CB-CE2 4.13Å; D67-Y69 PolarHBondContact O-N 3.04Å; Y69-Q71 PolarHBondContact O-N 3.18Å
70	S	41.1	Very low	51.9	Low	108 Å²	108	112.6 Å²	112.6	76%	0.755	61%	0.605	S	S	*	*			trans	-53.7	76.4	155.3	165.9	0	0	0	0	107.2	V68 V72	V68-S70 PolarHBondContact O-N 3.02Å; V68-S70 VanDerWaalsContact O-N 3.15Å; S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 2.96Å
71	Q	37.5	Very low	52.7	Low	162 Å²	162	106.8 Å²	106.8	76%	0.757	59%	0.588	S	S	*	*			trans	-64.9	102.8	165.5	-69.5	-168.1	-4.2	0	0	103.3	Y69 S73	Y69-Q71 PolarHBondContact O-N 3.18Å; Q71-S73 PolarHBondContact O-N 3.02Å
72	V	38	Very low	53.8	Low	128 Å²	128	101.9 Å²	101.9	78%	0.776	56%	0.564	S	S	*	*			trans	-45.4	100.4	150.5	176.1	0	0	0	0	103.7	S70 P74	S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 2.96Å; V72-P74 WeakPolarHBondContact O-CD 3.33Å
73	S	44.6	Very low	55.3	Low	90 Å²	90	100.3 Å²	100.3	63%	0.629	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-51.1	121.1	177.5	51.5	0	0	0	0	104.6	Q71	Q71-S73 PolarHBondContact O-N 3.02Å
74	P	47.9	Very low	56.9	Low	98 Å²	98	103.2 Å²	103.2	64%	0.636	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-51	142.7	171.8	23	-31.6	0	0	0	106.5	V72 S76	V72-P74 WeakPolarHBondContact O-CD 3.33Å; P74-S76 PolarHBondContact O-N 3.07Å
75	P	55.1	Low	59	Low	80 Å²	80	97.9 Å²	97.9	52%	0.519	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-47.9	119.9	177.2	20.5	-31.7	0	0	0	107.1	V77 Q79	P75-V77 PolarHBondContact O-N 2.94Å; P75-Q79 HydrophobicContact CB-CB 4.12Å
76	S	66	Low	61.4	Low	31 Å²	31	99.2 Å²	99.2	22%	0.217	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-50.1	144	-179.7	165.4	0	0	0	0	107	P74 D78 Q79 F80 D129	P74-S76 PolarHBondContact O-N 3.07Å; S76-D78 CarbonylContact O-C 3.48Å; S76-D78 PolarHBondContact O-N 2.93Å; S76-Q79 WeakPolarHBondContact O-CA 3.45Å; S76-Q79 WeakPolarHBondContact O-CB 3.25Å; S76-Q79 PolarHBondContact O-N 2.85Å; S76-F80 PolarHBondContact O-N 3.37Å; S76-D129 PolarHBondContact OG-OD1 3.5Å
77	V	68.5	Low	63.8	Low	59 Å²	59	97.1 Å²	97.1	36%	0.358	52%	0.516	S	S	.	.	H	α-helix	trans	-49.2	-31.1	-174.4	179.1	0	0	0	0	111.1	P75 F80 L81 Y131	P75-V77 PolarHBondContact O-N 2.94Å; V77-F80 PolarHBondContact O-N 3.27Å; V77-L81 WeakPolarHBondContact O-CB 3.5Å; V77-L81 PolarHBondContact O-N 3.32Å; V77-Y131 HydrophobicContact CB-CD2 4.33Å; V77-Y131 HydrophobicContact CB-CE2 3.91Å; V77-Y131 HydrophobicContact CG1-CE2 3.69Å; V77-Y131 HydrophobicContact CG2-CD2 3.99Å; V77-Y131 HydrophobicContact CG2-CE2 3.92Å
78	D	73.4	Confident	66.4	Low	26 Å²	26	94.9 Å²	94.9	14%	0.139	50%	0.504	C	S	.	.	H	α-helix	trans	-65	-35.4	175.3	-57.3	-25.6	0	0	0	114.6	S76 R82 F97 W101	S76-D78 CarbonylContact O-C 3.48Å; S76-D78 PolarHBondContact O-N 2.93Å; D78-R82 WeakPolarHBondContact O-CB 3.42Å; D78-R82 VanDerWaalsContact O-CG 3.3Å; D78-R82 WeakPolarHBondContact O-CG 3.49Å; D78-R82 PolarHBondContact O-N 3.03Å; D78-R82 PolarHBondContact O-NE 3.32Å; D78-R82 VanDerWaalsContact O-NE 3.08Å; D78-F97 HydrophobicContact CB-CZ 4.18Å; D78-W101 VanDerWaalsContact CG-NE1 3.33Å; D78-W101 PolarHBondContact OD2-NE1 2.95Å
79	Q	74.3	Confident	68.9	Low	97 Å²	97	89.7 Å²	89.7	45%	0.453	48%	0.48	S	S	.	.	H	α-helix	trans	-71.8	-39.9	173.5	-75.3	167.7	-12.6	0	0	110.9	P75 S76 R82 N83	P75-Q79 HydrophobicContact CB-CB 4.12Å; S76-Q79 WeakPolarHBondContact O-CA 3.45Å; S76-Q79 WeakPolarHBondContact O-CB 3.25Å; S76-Q79 PolarHBondContact O-N 2.85Å; Q79-R82 PolarHBondContact O-N 2.95Å; Q79-N83 WeakPolarHBondContact O-CB 3.23Å; Q79-N83 VanDerWaalsContact O-CG 3.27Å; Q79-N83 PolarHBondContact O-N 3.21Å; Q79-N83 PolarHBondContact O-ND2 3.23Å
80	F	80.9	Confident	71.5	Confident	125 Å²	125	86.1 Å²	86.1	55%	0.548	47%	0.469	S	S	.	.	H	α-helix	trans	-61	-46.1	172.4	176.2	-94.1	0	0	0	111.1	S76 V77 R82 N83 Y84	S76-F80 PolarHBondContact O-N 3.37Å; V77-F80 PolarHBondContact O-N 3.27Å; F80-R82 PolarHBondContact O-N 2.91Å; F80-N83 PolarHBondContact O-N 2.97Å; F80-Y84 WeakPolarHBondContact O-CB 3.29Å; F80-Y84 PolarHBondContact O-N 3.41Å
81	L	80.4	Confident	73.8	Confident	62 Å²	62	86.9 Å²	86.9	33%	0.325	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-41.2	179.7	-153	82.6	0	0	0	111.8	V77 Y84 L85 F97	V77-L81 WeakPolarHBondContact O-CB 3.5Å; V77-L81 PolarHBondContact O-N 3.32Å; L81-Y84 PolarHBondContact O-N 3.47Å; L81-L85 HydrophobicContact CD2-CD1 4.3Å; L81-L85 HydrophobicContact CG-CD1 4.25Å; L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 3.39Å; L81-F97 HydrophobicContact CB-CZ 4.3Å; L81-F97 HydrophobicContact CD2-CD1 4.43Å; L81-F97 HydrophobicContact CD2-CD2 3.5Å; L81-F97 VanDerWaalsContact CD2-CD2 3.5Å; L81-F97 HydrophobicContact CD2-CE1 4.27Å; L81-F97 HydrophobicContact CD2-CE2 3.28Å; L81-F97 HydrophobicContact CD2-CG 4.08Å; L81-F97 HydrophobicContact CD2-CZ 3.7Å
82	R	82.8	Confident	76.2	Confident	49 Å²	49	87.1 Å²	87.1	19%	0.185	46%	0.46	C	S	.	.	H	α-helix	trans	-57.6	-50.3	172.6	-82.8	177.4	-93.3	-147.3	-3.3	111.6	D78 Q79 F80 Y84 L85 Q86 L94 F97	D78-R82 WeakPolarHBondContact O-CB 3.42Å; D78-R82 VanDerWaalsContact O-CG 3.3Å; D78-R82 WeakPolarHBondContact O-CG 3.49Å; D78-R82 PolarHBondContact O-N 3.03Å; D78-R82 PolarHBondContact O-NE 3.32Å; D78-R82 VanDerWaalsContact O-NE 3.08Å; Q79-R82 PolarHBondContact O-N 2.95Å; F80-R82 PolarHBondContact O-N 2.91Å; R82-Y84 VanDerWaalsContact C-N 3.34Å; R82-Y84 PolarHBondContact O-N 2.95Å; R82-L85 PolarHBondContact O-N 3.41Å; R82-Q86 WeakPolarHBondContact O-CB 3.5Å; R82-Q86 PolarHBondContact O-N 3.29Å; R82-L94 HydrophobicContact CB-CD1 4.39Å; R82-L94 HydrophobicContact CG-CD1 4.06Å; R82-F97 HydrophobicContact CG-CD1 4.15Å; R82-F97 HydrophobicContact CG-CE1 3.88Å
83	N	84	Confident	78.7	Confident	86 Å²	86	84.7 Å²	84.7	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-40.3	178	-71.9	-16.3	0	0	0	111.8	Q79 F80 N87	Q79-N83 WeakPolarHBondContact O-CB 3.23Å; Q79-N83 VanDerWaalsContact O-CG 3.27Å; Q79-N83 PolarHBondContact O-N 3.21Å; Q79-N83 PolarHBondContact O-ND2 3.23Å; F80-N83 PolarHBondContact O-N 2.97Å; N83-N87 WeakPolarHBondContact O-CB 3.45Å; N83-N87 PolarHBondContact O-N 2.91Å; N83-N87 PolarHBondContact O-ND2 3.31Å; N83-N87 PolarHBondContact O-OD1 2.93Å
84	Y	87.5	Confident	80.8	Confident	119 Å²	119	81 Å²	81	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-47.7	178.5	179.2	-93.1	0	0	0	112.5	F80 L81 R82 Q86 N87 N88	F80-Y84 WeakPolarHBondContact O-CB 3.29Å; F80-Y84 PolarHBondContact O-N 3.41Å; L81-Y84 PolarHBondContact O-N 3.47Å; R82-Y84 VanDerWaalsContact C-N 3.34Å; R82-Y84 PolarHBondContact O-N 2.95Å; Y84-Q86 VanDerWaalsContact C-N 3.34Å; Y84-N87 PolarHBondContact O-N 2.93Å; Y84-N88 VanDerWaalsContact CE1-ND2 3.26Å; Y84-N88 WeakPolarHBondContact CE1-ND2 3.26Å; Y84-N88 WeakPolarHBondContact CE2-ND2 3.43Å; Y84-N88 WeakPolarHBondContact O-CB 3.19Å; Y84-N88 PolarHBondContact O-N 2.89Å; Y84-N88 PolarHBondContact O-ND2 2.96Å; Y84-N88 PolarHBondContact OH-ND2 3.48Å
85	L	89.4	Confident	82.6	Confident	16 Å²	16	81 Å²	81	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-66.2	-38.9	179.1	-69	172	0	0	0	111.4	L81 R82 G89 F90 T93 L94 F97	L81-L85 HydrophobicContact CD2-CD1 4.3Å; L81-L85 HydrophobicContact CG-CD1 4.25Å; L81-L85 WeakPolarHBondContact O-CB 3.34Å; L81-L85 VanDerWaalsContact O-CG 3.28Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 3.39Å; R82-L85 PolarHBondContact O-N 3.41Å; L85-G89 PolarHBondContact O-N 3.24Å; L85-F90 HydrophobicContact CD2-CB 4.03Å; L85-F90 HydrophobicContact CD2-CD2 4.24Å; L85-F90 PolarHBondContact O-N 3.19Å; L85-T93 HydrophobicContact CD2-CG2 4.04Å; L85-L94 HydrophobicContact CB-CB 4.06Å; L85-L94 HydrophobicContact CB-CD1 4.11Å; L85-L94 HydrophobicContact CD1-CB 4.44Å; L85-L94 HydrophobicContact CD1-CD1 4.3Å; L85-F97 HydrophobicContact CD1-CB 4.14Å; L85-F97 HydrophobicContact CD1-CG 4.34Å
86	Q	89.2	Confident	84.2	Confident	114 Å²	114	81.6 Å²	81.6	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-45.6	175.8	-173.5	172.6	0.9	0	0	111.9	R82 Y84 N88 G89 L94	R82-Q86 WeakPolarHBondContact O-CB 3.5Å; R82-Q86 PolarHBondContact O-N 3.29Å; Y84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.33Å; Q86-G89 PolarHBondContact O-N 3.44Å; Q86-L94 HydrophobicContact CB-CD2 4.19Å
87	N	87.6	Confident	85.1	Confident	136 Å²	136	82.1 Å²	82.1	73%	0.727	41%	0.413	S	S	*	.	H	α-helix	trans	-65.5	-33.3	179.9	-75.1	-8.3	0	0	0	112.9	N83 Y84	N83-N87 WeakPolarHBondContact O-CB 3.45Å; N83-N87 PolarHBondContact O-N 2.91Å; N83-N87 PolarHBondContact O-ND2 3.31Å; N83-N87 PolarHBondContact O-OD1 2.93Å; Y84-N87 PolarHBondContact O-N 2.93Å
88	N	92.2	Very high	85.8	Confident	79 Å²	79	82.5 Å²	82.5	42%	0.422	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.5	178.8	-68.7	-32.9	0	0	0	114	Y84 Q86 F90	Y84-N88 VanDerWaalsContact CE1-ND2 3.26Å; Y84-N88 WeakPolarHBondContact CE1-ND2 3.26Å; Y84-N88 WeakPolarHBondContact CE2-ND2 3.43Å; Y84-N88 WeakPolarHBondContact O-CB 3.19Å; Y84-N88 PolarHBondContact O-N 2.89Å; Y84-N88 PolarHBondContact O-ND2 2.96Å; Y84-N88 PolarHBondContact OH-ND2 3.48Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.33Å; N88-F90 VanDerWaalsContact C-N 3.34Å; N88-F90 HydrophobicContact CB-CD2 3.56Å; N88-F90 HydrophobicContact CB-CE2 3.54Å; N88-F90 HydrophobicContact CB-CZ 4.48Å; N88-F90 PolarHBondContact O-N 2.86Å
89	G	89.6	Confident	86.3	Confident	37 Å²	37	83.7 Å²	83.7	38%	0.381	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	18.6	177.8	0	0	0	0	0	115.2	L85 Q86 F91	L85-G89 PolarHBondContact O-N 3.24Å; Q86-G89 PolarHBondContact O-N 3.44Å; G89-F91 VanDerWaalsContact C-N 3.26Å; G89-F91 VanDerWaalsContact O-CD2 3.29Å; G89-F91 WeakPolarHBondContact O-CD2 3.47Å; G89-F91 PolarHBondContact O-N 3.17Å
90	F	91.8	Very high	86.6	Confident	107 Å²	107	84.6 Å²	84.6	47%	0.469	43%	0.429	S	S	.	.			trans	-82.7	65.6	177	-63.4	-56.9	0	0	0	111.5	L85 N88 E92 T93 L94	L85-F90 HydrophobicContact CD2-CB 4.03Å; L85-F90 HydrophobicContact CD2-CD2 4.24Å; L85-F90 PolarHBondContact O-N 3.19Å; N88-F90 VanDerWaalsContact C-N 3.34Å; N88-F90 HydrophobicContact CB-CD2 3.56Å; N88-F90 HydrophobicContact CB-CE2 3.54Å; N88-F90 HydrophobicContact CB-CZ 4.48Å; N88-F90 PolarHBondContact O-N 2.86Å; F90-E92 PolarHBondContact O-N 2.81Å; F90-T93 PolarHBondContact O-N 3.35Å; F90-L94 WeakPolarHBondContact O-CB 3.29Å; F90-L94 PolarHBondContact O-N 3.48Å
91	F	89.3	Confident	86.5	Confident	124 Å²	124	80.6 Å²	80.6	54%	0.544	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-37.6	-174.3	-63.2	-73.1	0	0	0	113.9	G89 L94 N95	G89-F91 VanDerWaalsContact C-N 3.26Å; G89-F91 VanDerWaalsContact O-CD2 3.29Å; G89-F91 WeakPolarHBondContact O-CD2 3.47Å; G89-F91 PolarHBondContact O-N 3.17Å; F91-L94 PolarHBondContact O-N 3.49Å; F91-N95 WeakPolarHBondContact O-CB 3.47Å; F91-N95 VanDerWaalsContact O-CG 3.28Å; F91-N95 PolarHBondContact O-N 3.39Å
92	E	88.6	Confident	86.3	Confident	167 Å²	167	83.3 Å²	83.3	78%	0.78	42%	0.42	S	S	*	.	H	α-helix	trans	-63.8	-46.5	176.5	-71.4	-179.3	176	0	0	111.3	F90 L94 N95 V96	F90-E92 PolarHBondContact O-N 2.81Å; E92-L94 VanDerWaalsContact C-N 3.35Å; E92-L94 PolarHBondContact O-N 3.45Å; E92-N95 PolarHBondContact O-N 3.48Å; E92-V96 WeakPolarHBondContact O-CG2 3.29Å; E92-V96 PolarHBondContact O-N 3.28Å
93	T	88.8	Confident	86	Confident	77 Å²	77	85.5 Å²	85.5	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-65.7	-37.8	177.2	-42.6	0	0	0	0	111.8	L85 F90 V96 F97	L85-T93 HydrophobicContact CD2-CG2 4.04Å; F90-T93 PolarHBondContact O-N 3.35Å; T93-V96 PolarHBondContact O-N 2.67Å; T93-F97 VanDerWaalsContact O-CB 3.29Å; T93-F97 WeakPolarHBondContact O-CB 3.25Å; T93-F97 PolarHBondContact O-N 2.84Å
94	L	90	Very high	85.4	Confident	11 Å²	11	85.5 Å²	85.5	6%	0.058	43%	0.434	C	S	.	.	H	α-helix	trans	-62.3	-44	174.2	178.8	62	0	0	0	111.8	R82 L85 Q86 F90 F91 E92 F97 Q98	R82-L94 HydrophobicContact CB-CD1 4.39Å; R82-L94 HydrophobicContact CG-CD1 4.06Å; L85-L94 HydrophobicContact CB-CB 4.06Å; L85-L94 HydrophobicContact CB-CD1 4.11Å; L85-L94 HydrophobicContact CD1-CB 4.44Å; L85-L94 HydrophobicContact CD1-CD1 4.3Å; Q86-L94 HydrophobicContact CB-CD2 4.19Å; F90-L94 WeakPolarHBondContact O-CB 3.29Å; F90-L94 PolarHBondContact O-N 3.48Å; F91-L94 PolarHBondContact O-N 3.49Å; E92-L94 VanDerWaalsContact C-N 3.35Å; E92-L94 PolarHBondContact O-N 3.45Å; L94-F97 PolarHBondContact O-N 3.4Å; L94-Q98 HydrophobicContact CD1-CG 4.2Å; L94-Q98 HydrophobicContact CG-CG 4.49Å; L94-Q98 WeakPolarHBondContact O-CB 3.16Å; L94-Q98 VanDerWaalsContact O-CG 3.28Å; L94-Q98 WeakPolarHBondContact O-CG 3.35Å; L94-Q98 PolarHBondContact O-N 3.2Å
95	N	86.1	Confident	84.5	Confident	98 Å²	98	82.8 Å²	82.8	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-64.9	-43	178.8	-75.1	-11.7	0	0	0	111.5	F91 E92 Q98 A99	F91-N95 WeakPolarHBondContact O-CB 3.47Å; F91-N95 VanDerWaalsContact O-CG 3.28Å; F91-N95 PolarHBondContact O-N 3.39Å; E92-N95 PolarHBondContact O-N 3.48Å; N95-Q98 PolarHBondContact O-N 3.37Å; N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 2.94Å
96	V	87.3	Confident	83.5	Confident	93 Å²	93	84.6 Å²	84.6	56%	0.564	44%	0.443	S	S	*	.	H	α-helix	trans	-62.6	-46.1	174.4	175	0	0	0	0	110.5	E92 T93 Q98 A99 E100	E92-V96 WeakPolarHBondContact O-CG2 3.29Å; E92-V96 PolarHBondContact O-N 3.28Å; T93-V96 PolarHBondContact O-N 2.67Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.39Å; V96-A99 PolarHBondContact O-N 3.44Å; V96-E100 HydrophobicContact CG1-CG 4.47Å; V96-E100 WeakPolarHBondContact O-CG 3.17Å; V96-E100 PolarHBondContact O-N 3.35Å
97	F	86.3	Confident	82.5	Confident	43 Å²	43	83.7 Å²	83.7	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-59.3	-43.9	176.7	176.1	-99	0	0	0	112.3	D78 L81 R82 L85 T93 L94 W101	D78-F97 HydrophobicContact CB-CZ 4.18Å; L81-F97 HydrophobicContact CB-CZ 4.3Å; L81-F97 HydrophobicContact CD2-CD1 4.43Å; L81-F97 HydrophobicContact CD2-CD2 3.5Å; L81-F97 VanDerWaalsContact CD2-CD2 3.5Å; L81-F97 HydrophobicContact CD2-CE1 4.27Å; L81-F97 HydrophobicContact CD2-CE2 3.28Å; L81-F97 HydrophobicContact CD2-CG 4.08Å; L81-F97 HydrophobicContact CD2-CZ 3.7Å; R82-F97 HydrophobicContact CG-CD1 4.15Å; R82-F97 HydrophobicContact CG-CE1 3.88Å; L85-F97 HydrophobicContact CD1-CB 4.14Å; L85-F97 HydrophobicContact CD1-CG 4.34Å; T93-F97 VanDerWaalsContact O-CB 3.29Å; T93-F97 WeakPolarHBondContact O-CB 3.25Å; T93-F97 PolarHBondContact O-N 2.84Å; L94-F97 PolarHBondContact O-N 3.4Å; F97-W101 HydrophobicContact CE1-CB 4.49Å; F97-W101 WeakPolarHBondContact O-CB 3.29Å; F97-W101 PolarHBondContact O-N 3.05Å
98	Q	83.4	Confident	81.5	Confident	66 Å²	66	78.5 Å²	78.5	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-43.3	178.1	-75.9	177.6	-3	0	0	111.7	L94 N95 V96 W101 F102	L94-Q98 HydrophobicContact CD1-CG 4.2Å; L94-Q98 HydrophobicContact CG-CG 4.49Å; L94-Q98 WeakPolarHBondContact O-CB 3.16Å; L94-Q98 VanDerWaalsContact O-CG 3.28Å; L94-Q98 WeakPolarHBondContact O-CG 3.35Å; L94-Q98 PolarHBondContact O-N 3.2Å; N95-Q98 PolarHBondContact O-N 3.37Å; V96-Q98 VanDerWaalsContact C-N 3.35Å; V96-Q98 PolarHBondContact O-N 3.39Å; Q98-W101 PolarHBondContact O-N 3.35Å; Q98-F102 HydrophobicContact CB-CE2 4.44Å; Q98-F102 WeakPolarHBondContact O-CD2 3.2Å; Q98-F102 PolarHBondContact O-N 3.02Å
99	A	83.3	Confident	80.2	Confident	52 Å²	52	77.6 Å²	77.6	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-51.5	177	0	0	0	0	0	111.5	N95 V96 W101 F102 D103	N95-A99 WeakPolarHBondContact O-CB 3.49Å; N95-A99 PolarHBondContact O-N 2.94Å; V96-A99 PolarHBondContact O-N 3.44Å; A99-W101 VanDerWaalsContact C-N 3.31Å; A99-W101 PolarHBondContact O-N 2.98Å; A99-F102 PolarHBondContact O-N 2.87Å; A99-D103 PolarHBondContact O-N 3.43Å
100	E	80.2	Confident	79.1	Confident	116 Å²	116	82.8 Å²	82.8	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-60	-41	176.6	-68.5	-72.4	158.6	0	0	111.9	V96 D103 I104	V96-E100 HydrophobicContact CG1-CG 4.47Å; V96-E100 WeakPolarHBondContact O-CG 3.17Å; V96-E100 PolarHBondContact O-N 3.35Å; E100-D103 PolarHBondContact O-N 3.04Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.39Å; E100-I104 PolarHBondContact O-N 3.03Å
101	W	79	Confident	77.6	Confident	41 Å²	41	85.9 Å²	85.9	16%	0.155	43%	0.43	C	S	.	.	H	α-helix	trans	-63.9	-42.3	177.9	-173.1	86.9	0	0	0	112.2	D78 F97 Q98 A99 I104 F105 V127	D78-W101 VanDerWaalsContact CG-NE1 3.33Å; D78-W101 PolarHBondContact OD2-NE1 2.95Å; F97-W101 HydrophobicContact CE1-CB 4.49Å; F97-W101 WeakPolarHBondContact O-CB 3.29Å; F97-W101 PolarHBondContact O-N 3.05Å; Q98-W101 PolarHBondContact O-N 3.35Å; A99-W101 VanDerWaalsContact C-N 3.31Å; A99-W101 PolarHBondContact O-N 2.98Å; W101-I104 PolarHBondContact O-N 3.48Å; W101-F105 AromaticContact CH2-CD2 3.83Å; W101-F105 HydrophobicContact CH2-CD2 3.83Å; W101-F105 HydrophobicContact CH2-CE2 4.34Å; W101-F105 HydrophobicContact CH2-CG 4.48Å; W101-F105 HydrophobicContact CZ2-CD2 4.23Å; W101-F105 HydrophobicContact CZ3-CD2 4.26Å; W101-F105 HydrophobicContact CZ3-CG 4.47Å; W101-F105 VanDerWaalsContact O-CB 3.32Å; W101-F105 WeakPolarHBondContact O-CB 3.4Å; W101-F105 PolarHBondContact O-N 3.01Å; W101-V127 HydrophobicContact CZ2-CG2 3.86Å
102	F	76.4	Confident	76.2	Confident	118 Å²	118	84.8 Å²	84.8	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-67	-37.9	175.7	-80.1	-64.5	0	0	0	112.4	Q98 A99 F105 A106	Q98-F102 HydrophobicContact CB-CE2 4.44Å; Q98-F102 WeakPolarHBondContact O-CD2 3.2Å; Q98-F102 PolarHBondContact O-N 3.02Å; A99-F102 PolarHBondContact O-N 2.87Å; F102-F105 WeakPolarHBondContact O-CB 3.37Å; F102-F105 PolarHBondContact O-N 2.97Å; F102-A106 VanDerWaalsContact O-CB 3.31Å; F102-A106 WeakPolarHBondContact O-CB 3.48Å; F102-A106 PolarHBondContact O-N 3.46Å
103	D	76.1	Confident	75	Confident	96 Å²	96	84.6 Å²	84.6	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-45.1	174.7	-76.6	-16.1	0	0	0	110.8	A99 E100 A106 I107	A99-D103 PolarHBondContact O-N 3.43Å; E100-D103 PolarHBondContact O-N 3.04Å; D103-A106 PolarHBondContact O-N 2.98Å; D103-I107 WeakPolarHBondContact O-CB 3.29Å; D103-I107 WeakPolarHBondContact O-CD1 3.35Å; D103-I107 WeakPolarHBondContact O-CG1 3.47Å; D103-I107 PolarHBondContact O-N 3.47Å
104	I	70.6	Confident	73.7	Confident	85 Å²	85	88.4 Å²	88.4	44%	0.436	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.1	-67	166.6	0	0	0	111.2	E100 W101 A106 I107 S108 V127	E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.39Å; E100-I104 PolarHBondContact O-N 3.03Å; W101-I104 PolarHBondContact O-N 3.48Å; I104-A106 PolarHBondContact O-N 3.24Å; I104-I107 PolarHBondContact O-N 3.16Å; I104-S108 WeakPolarHBondContact O-CB 3.48Å; I104-S108 PolarHBondContact O-N 3.44Å; I104-V127 HydrophobicContact CG2-CG1 4.49Å
105	F	69.3	Low	72.2	Confident	62 Å²	62	94.1 Å²	94.1	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-57.7	-47.8	176.1	-172.6	-92.5	0	0	0	111.2	W101 F102 S108 I109 V127	W101-F105 AromaticContact CH2-CD2 3.83Å; W101-F105 HydrophobicContact CH2-CD2 3.83Å; W101-F105 HydrophobicContact CH2-CE2 4.34Å; W101-F105 HydrophobicContact CH2-CG 4.48Å; W101-F105 HydrophobicContact CZ2-CD2 4.23Å; W101-F105 HydrophobicContact CZ3-CD2 4.26Å; W101-F105 HydrophobicContact CZ3-CG 4.47Å; W101-F105 VanDerWaalsContact O-CB 3.32Å; W101-F105 WeakPolarHBondContact O-CB 3.4Å; W101-F105 PolarHBondContact O-N 3.01Å; F102-F105 WeakPolarHBondContact O-CB 3.37Å; F102-F105 PolarHBondContact O-N 2.97Å; F105-S108 PolarHBondContact O-N 2.92Å; F105-I109 HydrophobicContact CD1-CD1 3.56Å; F105-I109 HydrophobicContact CD1-CG1 4.46Å; F105-I109 HydrophobicContact CE1-CD1 3.13Å; F105-I109 HydrophobicContact CE1-CG1 4.24Å; F105-I109 HydrophobicContact CZ-CD1 3.74Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.41Å; F105-V127 HydrophobicContact CB-CG2 4.42Å; F105-V127 HydrophobicContact CD2-CG2 3.18Å; F105-V127 HydrophobicContact CE2-CG2 3.73Å; F105-V127 HydrophobicContact CG-CG2 4.22Å
106	A	67.9	Low	70.7	Confident	55 Å²	55	94.2 Å²	94.2	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-43.2	178.7	0	0	0	0	0	112.1	F102 D103 I104 S108 I109 F110	F102-A106 VanDerWaalsContact O-CB 3.31Å; F102-A106 WeakPolarHBondContact O-CB 3.48Å; F102-A106 PolarHBondContact O-N 3.46Å; D103-A106 PolarHBondContact O-N 2.98Å; I104-A106 PolarHBondContact O-N 3.24Å; A106-S108 VanDerWaalsContact C-N 3.34Å; A106-I109 PolarHBondContact O-N 3.17Å; A106-F110 WeakPolarHBondContact O-CB 3.16Å; A106-F110 PolarHBondContact O-N 3.03Å
107	I	69.7	Low	69.2	Low	94 Å²	94	99.2 Å²	99.2	48%	0.482	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-41.3	175.6	-69.5	161.7	0	0	0	110.9	D103 I104 F110 R111	D103-I107 WeakPolarHBondContact O-CB 3.29Å; D103-I107 WeakPolarHBondContact O-CD1 3.35Å; D103-I107 WeakPolarHBondContact O-CG1 3.47Å; D103-I107 PolarHBondContact O-N 3.47Å; I104-I107 PolarHBondContact O-N 3.16Å; I107-F110 PolarHBondContact O-N 3.46Å; I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 2.93Å
108	S	64.9	Low	67.6	Low	28 Å²	28	100.7 Å²	100.7	20%	0.196	50%	0.501	C	S	.	.	H	α-helix	trans	-62.9	-47.7	177.7	-174.2	0	0	0	0	111.3	I104 F105 A106 F110 R111 F112	I104-S108 WeakPolarHBondContact O-CB 3.48Å; I104-S108 PolarHBondContact O-N 3.44Å; F105-S108 PolarHBondContact O-N 2.92Å; A106-S108 VanDerWaalsContact C-N 3.34Å; S108-F110 VanDerWaalsContact C-N 3.3Å; S108-F110 PolarHBondContact O-N 3.49Å; S108-R111 PolarHBondContact O-N 3.31Å; S108-F112 WeakPolarHBondContact O-CB 3.21Å; S108-F112 PolarHBondContact O-N 2.91Å
109	I	66.6	Low	65.7	Low	60 Å²	60	103.9 Å²	103.9	31%	0.308	52%	0.52	S	S	.	.	H	α-helix	trans	-58.2	-44	174.2	-73.5	172.2	0	0	0	111.1	F105 A106 F112 K113	F105-I109 HydrophobicContact CD1-CD1 3.56Å; F105-I109 HydrophobicContact CD1-CG1 4.46Å; F105-I109 HydrophobicContact CE1-CD1 3.13Å; F105-I109 HydrophobicContact CE1-CG1 4.24Å; F105-I109 HydrophobicContact CZ-CD1 3.74Å; F105-I109 WeakPolarHBondContact O-CG1 3.39Å; F105-I109 PolarHBondContact O-N 3.41Å; A106-I109 PolarHBondContact O-N 3.17Å; I109-F112 PolarHBondContact O-N 3.11Å; I109-K113 HydrophobicContact CG2-CD 4.39Å; I109-K113 WeakPolarHBondContact O-CB 3.38Å; I109-K113 PolarHBondContact O-N 3.17Å
110	F	64.9	Low	63.7	Low	146 Å²	146	107.7 Å²	107.7	64%	0.64	53%	0.532	S	S	*	.	H	α-helix	trans	-63.1	-46.2	178.9	-170.4	-91.6	0	0	0	111.5	A106 I107 S108 K113 F114	A106-F110 WeakPolarHBondContact O-CB 3.16Å; A106-F110 PolarHBondContact O-N 3.03Å; I107-F110 PolarHBondContact O-N 3.46Å; S108-F110 VanDerWaalsContact C-N 3.3Å; S108-F110 PolarHBondContact O-N 3.49Å; F110-K113 PolarHBondContact O-N 3.28Å; F110-F114 WeakPolarHBondContact O-CB 3.41Å; F110-F114 PolarHBondContact O-N 3.15Å
111	R	61.6	Low	62.3	Low	172 Å²	172	109.8 Å²	109.8	65%	0.649	55%	0.547	S	S	*	.	H	α-helix	trans	-61.4	-44	175.2	-97.7	-174.8	157.2	126	-3.4	112.3	I107 S108 F114 L115	I107-R111 WeakPolarHBondContact O-CB 3.39Å; I107-R111 PolarHBondContact O-N 2.93Å; S108-R111 PolarHBondContact O-N 3.31Å; R111-F114 PolarHBondContact O-N 2.96Å; R111-L115 WeakPolarHBondContact O-CB 3.43Å; R111-L115 PolarHBondContact O-N 2.96Å
112	F	59	Low	60.5	Low	101 Å²	101	113.8 Å²	113.8	44%	0.443	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-44.5	-179.9	-162.5	-88.8	0	0	0	111.2	S108 I109 F114 L115 H116	S108-F112 WeakPolarHBondContact O-CB 3.21Å; S108-F112 PolarHBondContact O-N 2.91Å; I109-F112 PolarHBondContact O-N 3.11Å; F112-F114 VanDerWaalsContact C-N 3.28Å; F112-F114 PolarHBondContact O-N 3.34Å; F112-L115 PolarHBondContact O-N 3.25Å; F112-H116 AromaticContact CD2-CD2 3.98Å; F112-H116 HydrophobicContact CE1-CB 4.44Å; F112-H116 AromaticContact CE1-CD2 3.86Å; F112-H116 AromaticContact CE2-CD2 3.66Å; F112-H116 AromaticContact CE2-NE2 3.93Å; F112-H116 AromaticContact CZ-CD2 3.59Å; F112-H116 WeakPolarHBondContact O-CB 3.35Å; F112-H116 PolarHBondContact O-N 2.93Å
113	K	63.9	Low	58.9	Low	162 Å²	162	117.8 Å²	117.8	70%	0.704	59%	0.59	S	S	*	*	H	α-helix	trans	-59	-36.5	171.4	-83.8	-174.7	174.8	179.1	0	113	I109 F110	I109-K113 HydrophobicContact CG2-CD 4.39Å; I109-K113 WeakPolarHBondContact O-CB 3.38Å; I109-K113 PolarHBondContact O-N 3.17Å; F110-K113 PolarHBondContact O-N 3.28Å
114	F	61.9	Low	57.5	Low	157 Å²	157	116.6 Å²	116.6	69%	0.689	59%	0.594	S	S	*	*	H	α-helix	trans	-77.2	-39.4	-178.2	-160.4	-87.7	0	0	0	112.8	F110 R111 F112	F110-F114 WeakPolarHBondContact O-CB 3.41Å; F110-F114 PolarHBondContact O-N 3.15Å; R111-F114 PolarHBondContact O-N 2.96Å; F112-F114 VanDerWaalsContact C-N 3.28Å; F112-F114 PolarHBondContact O-N 3.34Å
115	L	58.2	Low	56.7	Low	131 Å²	131	113.6 Å²	113.6	69%	0.686	58%	0.582	S	S	*	*	H	α-helix	trans	-73.4	-48.4	178.5	-83.8	161	0	0	0	111.8	R111 F112 K117	R111-L115 WeakPolarHBondContact O-CB 3.43Å; R111-L115 PolarHBondContact O-N 2.96Å; F112-L115 PolarHBondContact O-N 3.25Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.16Å
116	H	54.2	Low	56	Low	101 Å²	101	115.9 Å²	115.9	47%	0.468	60%	0.603	S	S	.	*	S	Bend	trans	-90.5	80.7	176.8	-68.7	-76.3	0	0	0	109.2	F112 G118	F112-H116 AromaticContact CD2-CD2 3.98Å; F112-H116 HydrophobicContact CE1-CB 4.44Å; F112-H116 AromaticContact CE1-CD2 3.86Å; F112-H116 AromaticContact CE2-CD2 3.66Å; F112-H116 AromaticContact CE2-NE2 3.93Å; F112-H116 AromaticContact CZ-CD2 3.59Å; F112-H116 WeakPolarHBondContact O-CB 3.35Å; F112-H116 PolarHBondContact O-N 2.93Å; H116-G118 PolarHBondContact O-N 2.9Å
117	K	54.9	Low	55.5	Low	197 Å²	197	114.5 Å²	114.5	86%	0.857	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	82.5	170.5	-71.6	-179.1	177.3	177	0	111.4	L115	L115-K117 PolarHBondContact O-N 3.49Å; L115-K117 VanDerWaalsContact O-N 3.16Å
118	G	54.6	Low	55	Low	75 Å²	75	113 Å²	113	77%	0.773	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.6	16.3	161.9	0	0	0	0	0	118.2	H116	H116-G118 PolarHBondContact O-N 2.9Å
119	L	43.3	Very low	55	Low	133 Å²	133	114 Å²	114	70%	0.696	59%	0.588	S	S	*	*			trans	-108.1	107.8	175.1	-121.3	83.2	0	0	0	113.3
120	L	41	Very low	55.2	Low	131 Å²	131	115.6 Å²	115.6	69%	0.686	60%	0.596	S	S	*	*			trans	66.2	104.4	147.2	-72.6	152.6	0	0	0	121	I122	L120-I122 PolarHBondContact O-N 3.17Å
121	N	49.5	Very low	55.6	Low	160 Å²	160	115.1 Å²	115.1	86%	0.856	59%	0.591	S	S	*	*			trans	11.6	62.6	130.7	-61.7	-3	0	0	0	119.4
122	I	41	Very low	56.4	Low	126 Å²	126	111.4 Å²	111.4	65%	0.646	58%	0.583	S	S	*	*			trans	-119.8	95.1	158.2	-57.4	173.2	0	0	0	106.5	L120 A124 A125	L120-I122 PolarHBondContact O-N 3.17Å; I122-A124 WeakPolarHBondContact CG2-O 3.35Å; I122-A124 PolarHBondContact O-N 3.25Å; I122-A125 PolarHBondContact O-N 3.08Å
123	E	44.5	Very low	57.4	Low	201 Å²	201	111 Å²	111	94%	0.939	58%	0.583	S	S	*	*	S	Bend	trans	-63.6	-1.1	174.3	-71.9	-176.4	155.5	0	0	113.2
124	A	46.6	Very low	58.3	Low	72 Å²	72	106.4 Å²	106.4	60%	0.595	57%	0.566	S	S	*	*			trans	-127	64.6	172.8	0	0	0	0	0	109.8	I122 P126	I122-A124 WeakPolarHBondContact CG2-O 3.35Å; I122-A124 PolarHBondContact O-N 3.25Å; A124-P126 WeakPolarHBondContact O-CD 3.37Å; A124-P126 VanDerWaalsContact O-N 3.11Å
125	A	52.4	Low	59.4	Low	22 Å²	22	102.7 Å²	102.7	18%	0.182	55%	0.553	C	S	.	*			trans	-59.9	113	157	0	0	0	0	0	105.7	I122 V127	I122-A125 PolarHBondContact O-N 3.08Å; A125-V127 PolarHBondContact O-N 3.4Å
126	P	56.1	Low	60.9	Low	110 Å²	110	101.9 Å²	101.9	71%	0.714	55%	0.546	S	S	*	.			trans	-57.6	133.9	176.1	25	-31.6	0	0	0	106.8	A124 P128	A124-P126 WeakPolarHBondContact O-CD 3.37Å; A124-P126 VanDerWaalsContact O-N 3.11Å; P126-P128 VanDerWaalsContact O-CD 3.24Å; P126-P128 WeakPolarHBondContact O-CD 3.45Å; P126-P128 VanDerWaalsContact O-N 3.07Å
127	V	56.6	Low	62.6	Low	25 Å²	25	100.8 Å²	100.8	15%	0.152	54%	0.543	C	S	.	.			trans	-53.5	122	165.7	-176.8	0	0	0	0	105.4	W101 I104 F105 A125 D129	W101-V127 HydrophobicContact CZ2-CG2 3.86Å; I104-V127 HydrophobicContact CG2-CG1 4.49Å; F105-V127 HydrophobicContact CB-CG2 4.42Å; F105-V127 HydrophobicContact CD2-CG2 3.18Å; F105-V127 HydrophobicContact CE2-CG2 3.73Å; F105-V127 HydrophobicContact CG-CG2 4.22Å; A125-V127 PolarHBondContact O-N 3.4Å; V127-D129 PolarHBondContact O-N 2.95Å
128	P	59.7	Low	64.3	Low	62 Å²	62	97.2 Å²	97.2	40%	0.403	52%	0.524	S	S	.	.			trans	-56	115	173.9	-23.5	34	0	0	0	106.7	P126 I130	P126-P128 VanDerWaalsContact O-CD 3.24Å; P126-P128 WeakPolarHBondContact O-CD 3.45Å; P126-P128 VanDerWaalsContact O-N 3.07Å; P128-I130 PolarHBondContact O-N 2.85Å
129	D	64.7	Low	66.2	Low	49 Å²	49	96.5 Å²	96.5	26%	0.262	50%	0.503	S	S	.	.			trans	-52.5	117.5	173.5	-79.9	-24.3	0	0	0	105.2	S76 V127 Y131 I132 Q133	S76-D129 PolarHBondContact OG-OD1 3.5Å; V127-D129 PolarHBondContact O-N 2.95Å; D129-Y131 PolarHBondContact O-N 2.91Å; D129-I132 HydrophobicContact CB-CB 4.48Å; D129-I132 HydrophobicContact CB-CD1 3.93Å; D129-I132 HydrophobicContact CB-CG1 3.96Å; D129-I132 PolarHBondContact O-N 3.12Å; D129-Q133 PolarHBondContact O-N 3.29Å
130	I	71	Confident	68.6	Low	94 Å²	94	94.8 Å²	94.8	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-54.7	-25.3	-173.4	-169.8	151.6	0	0	0	111.5	P128 N134	P128-I130 PolarHBondContact O-N 2.85Å; I130-N134 WeakPolarHBondContact O-CB 3.4Å; I130-N134 PolarHBondContact O-N 3.22Å; I130-N134 PolarHBondContact O-ND2 2.79Å
131	Y	72.5	Confident	71.2	Confident	136 Å²	136	92.4 Å²	92.4	53%	0.533	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-40.9	173.4	-61.2	-77.6	0	0	0	113.7	V77 D129 D135	V77-Y131 HydrophobicContact CB-CD2 4.33Å; V77-Y131 HydrophobicContact CB-CE2 3.91Å; V77-Y131 HydrophobicContact CG1-CE2 3.69Å; V77-Y131 HydrophobicContact CG2-CD2 3.99Å; V77-Y131 HydrophobicContact CG2-CE2 3.92Å; D129-Y131 PolarHBondContact O-N 2.91Å; Y131-D135 WeakPolarHBondContact O-CB 3.4Å; Y131-D135 PolarHBondContact O-N 2.67Å
132	I	79	Confident	73.4	Confident	94 Å²	94	91.2 Å²	91.2	48%	0.482	46%	0.464	S	S	.	.	H	α-helix	trans	-69.4	-49.3	178.6	-61.7	175.5	0	0	0	110.1	D129 N134 D135 E136	D129-I132 HydrophobicContact CB-CB 4.48Å; D129-I132 HydrophobicContact CB-CD1 3.93Å; D129-I132 HydrophobicContact CB-CG1 3.96Å; D129-I132 PolarHBondContact O-N 3.12Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.37Å; I132-D135 CarbonylContact O-C 3.59Å; I132-D135 WeakPolarHBondContact O-CA 3.47Å; I132-D135 WeakPolarHBondContact O-CB 3.41Å; I132-D135 PolarHBondContact O-N 3.33Å; I132-E136 PolarHBondContact O-N 3.25Å
133	Q	79.9	Confident	76	Confident	94 Å²	94	89.4 Å²	89.4	44%	0.439	46%	0.455	S	S	.	.	H	α-helix	trans	-61.5	-40.1	178	-173.7	-178.5	-0.6	0	0	111.4	D129 D135 E136 L137	D129-Q133 PolarHBondContact O-N 3.29Å; Q133-D135 PolarHBondContact O-N 3.11Å; Q133-E136 PolarHBondContact O-N 3.3Å; Q133-L137 HydrophobicContact CG-CD1 4.19Å; Q133-L137 HydrophobicContact CG-CG 4.5Å; Q133-L137 WeakPolarHBondContact O-CB 3.42Å; Q133-L137 VanDerWaalsContact O-CG 3.28Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.07Å
134	N	82.9	Confident	78.5	Confident	65 Å²	65	83 Å²	83	35%	0.348	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-31.8	173.7	-78.7	-31.1	0	0	0	111.9	I130 I132 R138	I130-N134 WeakPolarHBondContact O-CB 3.4Å; I130-N134 PolarHBondContact O-N 3.22Å; I130-N134 PolarHBondContact O-ND2 2.79Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.37Å; N134-R138 VanDerWaalsContact O-CB 3.31Å; N134-R138 WeakPolarHBondContact O-CB 3.23Å; N134-R138 WeakPolarHBondContact O-CG 3.4Å; N134-R138 PolarHBondContact O-N 3.01Å; N134-R138 PolarHBondContact O-NE 2.78Å
135	D	85.6	Confident	80.9	Confident	78 Å²	78	87.7 Å²	87.7	42%	0.417	43%	0.432	S	S	.	.	H	α-helix	trans	-74.2	-41.9	176.7	-142.7	50.5	0	0	0	112.8	Y131 I132 Q133 R138 N139	Y131-D135 WeakPolarHBondContact O-CB 3.4Å; Y131-D135 PolarHBondContact O-N 2.67Å; I132-D135 CarbonylContact O-C 3.59Å; I132-D135 WeakPolarHBondContact O-CA 3.47Å; I132-D135 WeakPolarHBondContact O-CB 3.41Å; I132-D135 PolarHBondContact O-N 3.33Å; Q133-D135 PolarHBondContact O-N 3.11Å; D135-R138 WeakPolarHBondContact O-CB 3.04Å; D135-R138 PolarHBondContact O-N 3.03Å; D135-R138 IonicContact OD1-CZ 2.79Å; D135-R138 IonicContact OD1-NE 3.87Å; D135-R138 PolarHBondContact OD1-NE 2.91Å; D135-R138 VanDerWaalsContact OD1-NE 3.15Å; D135-R138 IonicContact OD1-NH2 3.38Å; D135-R138 PolarHBondContact OD1-NH2 3Å; D135-N139 PolarHBondContact O-N 3.28Å; D135-N139 PolarHBondContact O-ND2 2.91Å; D135-N139 PolarHBondContact O-OD1 3.41Å
136	E	88.6	Confident	82.9	Confident	115 Å²	115	89.6 Å²	89.6	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-47	171.6	-69.5	177.1	175.3	0	0	111.6	I132 Q133 R138 N139 I140	I132-E136 PolarHBondContact O-N 3.25Å; Q133-E136 PolarHBondContact O-N 3.3Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.21Å; E136-N139 WeakPolarHBondContact O-CB 3.14Å; E136-N139 PolarHBondContact O-N 3.37Å; E136-N139 VanDerWaalsContact O-N 3.09Å; E136-I140 WeakPolarHBondContact O-CG1 3.37Å; E136-I140 PolarHBondContact O-N 3.3Å
137	L	90.4	Very high	84.9	Confident	78 Å²	78	90 Å²	90	41%	0.408	44%	0.436	S	S	.	.	H	α-helix	trans	-62.1	-39.8	175.3	-73.4	172	0	0	0	111.4	Q133 N139 I140 I141	Q133-L137 HydrophobicContact CG-CD1 4.19Å; Q133-L137 HydrophobicContact CG-CG 4.5Å; Q133-L137 WeakPolarHBondContact O-CB 3.42Å; Q133-L137 VanDerWaalsContact O-CG 3.28Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.07Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-N139 PolarHBondContact O-N 3.44Å; L137-I140 PolarHBondContact O-N 2.95Å; L137-I141 VanDerWaalsContact O-CB 3.31Å; L137-I141 WeakPolarHBondContact O-CB 3.33Å; L137-I141 WeakPolarHBondContact O-CD1 3.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.49Å
138	R	91.3	Very high	86.7	Confident	121 Å²	121	92.5 Å²	92.5	46%	0.457	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-39.4	173.2	-84.1	-175.2	-71.2	-96	1.5	111.5	N134 D135 E136 R142	N134-R138 VanDerWaalsContact O-CB 3.31Å; N134-R138 WeakPolarHBondContact O-CB 3.23Å; N134-R138 WeakPolarHBondContact O-CG 3.4Å; N134-R138 PolarHBondContact O-N 3.01Å; N134-R138 PolarHBondContact O-NE 2.78Å; D135-R138 WeakPolarHBondContact O-CB 3.04Å; D135-R138 PolarHBondContact O-N 3.03Å; D135-R138 IonicContact OD1-CZ 2.79Å; D135-R138 IonicContact OD1-NE 3.87Å; D135-R138 PolarHBondContact OD1-NE 2.91Å; D135-R138 VanDerWaalsContact OD1-NE 3.15Å; D135-R138 IonicContact OD1-NH2 3.38Å; D135-R138 PolarHBondContact OD1-NH2 3Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.21Å; R138-R142 WeakPolarHBondContact O-CB 3.35Å; R138-R142 PolarHBondContact O-N 3.46Å
139	N	93.2	Very high	88.4	Confident	60 Å²	60	94.5 Å²	94.5	32%	0.321	46%	0.456	S	S	.	.	H	α-helix	trans	-67.1	-50	177.2	-65.3	-18.8	0	0	0	111.5	D135 E136 L137 I141 R142 D143	D135-N139 PolarHBondContact O-N 3.28Å; D135-N139 PolarHBondContact O-ND2 2.91Å; D135-N139 PolarHBondContact O-OD1 3.41Å; E136-N139 WeakPolarHBondContact O-CB 3.14Å; E136-N139 PolarHBondContact O-N 3.37Å; E136-N139 VanDerWaalsContact O-N 3.09Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-N139 PolarHBondContact O-N 3.44Å; N139-I141 VanDerWaalsContact C-N 3.3Å; N139-I141 PolarHBondContact O-N 2.89Å; N139-R142 WeakPolarHBondContact O-CA 3.38Å; N139-R142 VanDerWaalsContact O-CB 3.26Å; N139-R142 WeakPolarHBondContact O-CB 3.2Å; N139-R142 PolarHBondContact O-N 3.33Å; N139-R142 PolarHBondContact OD1-NH1 3.36Å; N139-R142 PolarHBondContact OD1-NH2 2.88Å; N139-D143 PolarHBondContact O-N 2.77Å
140	I	95.2	Very high	89.9	Confident	98 Å²	98	96 Å²	96	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-57.9	-43.7	176.3	-64.9	165	0	0	0	111.1	E136 L137 R142 D143 V144	E136-I140 WeakPolarHBondContact O-CG1 3.37Å; E136-I140 PolarHBondContact O-N 3.3Å; L137-I140 PolarHBondContact O-N 2.95Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 2.88Å; I140-D143 PolarHBondContact O-N 3.1Å; I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 WeakPolarHBondContact O-CG2 3.33Å; I140-V144 PolarHBondContact O-N 2.91Å
141	I	94.9	Very high	91.1	Very high	80 Å²	80	96.2 Å²	96.2	41%	0.41	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-38.2	176	-72.1	166.8	0	0	0	110.8	L137 N139 R145	L137-I141 VanDerWaalsContact O-CB 3.31Å; L137-I141 WeakPolarHBondContact O-CB 3.33Å; L137-I141 WeakPolarHBondContact O-CD1 3.47Å; L137-I141 WeakPolarHBondContact O-CG1 3.36Å; L137-I141 PolarHBondContact O-N 3.49Å; N139-I141 VanDerWaalsContact C-N 3.3Å; N139-I141 PolarHBondContact O-N 2.89Å; I141-R145 HydrophobicContact CG2-CG 4.42Å; I141-R145 VanDerWaalsContact O-CB 3.27Å; I141-R145 WeakPolarHBondContact O-CB 3.39Å; I141-R145 WeakPolarHBondContact O-CD 3.22Å; I141-R145 WeakPolarHBondContact O-CG 3.34Å; I141-R145 PolarHBondContact O-N 2.88Å
142	R	95.2	Very high	92.2	Very high	135 Å²	135	95.9 Å²	95.9	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-64.5	-44.8	176.8	-165.8	-176	-58	104.6	0.6	110.9	R138 N139 I140 R145 S146	R138-R142 WeakPolarHBondContact O-CB 3.35Å; R138-R142 PolarHBondContact O-N 3.46Å; N139-R142 WeakPolarHBondContact O-CA 3.38Å; N139-R142 VanDerWaalsContact O-CB 3.26Å; N139-R142 WeakPolarHBondContact O-CB 3.2Å; N139-R142 PolarHBondContact O-N 3.33Å; N139-R142 PolarHBondContact OD1-NH1 3.36Å; N139-R142 PolarHBondContact OD1-NH2 2.88Å; I140-R142 VanDerWaalsContact C-N 3.27Å; I140-R142 PolarHBondContact O-N 2.88Å; R142-R145 WeakPolarHBondContact O-CB 3.34Å; R142-R145 PolarHBondContact O-N 2.99Å; R142-S146 PolarHBondContact O-N 3.49Å
143	D	96.1	Very high	93	Very high	88 Å²	88	96.9 Å²	96.9	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-66	-49.6	-179	-62.1	-17.6	0	0	0	111	N139 I140 R145 S146 E147	N139-D143 PolarHBondContact O-N 2.77Å; I140-D143 PolarHBondContact O-N 3.1Å; D143-R145 PolarHBondContact O-N 2.64Å; D143-S146 WeakPolarHBondContact O-CA 3.38Å; D143-S146 WeakPolarHBondContact O-CB 3.48Å; D143-S146 PolarHBondContact O-N 3.42Å; D143-S146 PolarHBondContact O-OG 3.3Å; D143-E147 PolarHBondContact O-N 3.19Å
144	V	96.9	Very high	93.6	Very high	67 Å²	67	94.6 Å²	94.6	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-58.8	-36.9	175.2	171.2	0	0	0	0	111.6	I140 N148	I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 WeakPolarHBondContact O-CB 3.39Å; I140-V144 WeakPolarHBondContact O-CG2 3.33Å; I140-V144 PolarHBondContact O-N 2.91Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.13Å; V144-N148 PolarHBondContact O-ND2 3Å
145	R	96.1	Very high	94.2	Very high	171 Å²	171	96.7 Å²	96.7	65%	0.645	48%	0.477	S	S	*	.	H	α-helix	trans	-66.1	-41.4	174.3	-78.4	171.5	-179	-179.7	3	111.5	I141 R142 D143 N148 L149	I141-R145 HydrophobicContact CG2-CG 4.42Å; I141-R145 VanDerWaalsContact O-CB 3.27Å; I141-R145 WeakPolarHBondContact O-CB 3.39Å; I141-R145 WeakPolarHBondContact O-CD 3.22Å; I141-R145 WeakPolarHBondContact O-CG 3.34Å; I141-R145 PolarHBondContact O-N 2.88Å; R142-R145 WeakPolarHBondContact O-CB 3.34Å; R142-R145 PolarHBondContact O-N 2.99Å; D143-R145 PolarHBondContact O-N 2.64Å; R145-N148 PolarHBondContact O-N 3.27Å; R145-L149 VanDerWaalsContact O-CG 3.3Å; R145-L149 WeakPolarHBondContact O-CG 3.45Å; R145-L149 PolarHBondContact O-N 3.44Å
146	S	95.3	Very high	94.6	Very high	61 Å²	61	98.1 Å²	98.1	43%	0.427	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-44.3	177.3	76.1	0	0	0	0	112	R142 D143 N148 L149 T150	R142-S146 PolarHBondContact O-N 3.49Å; D143-S146 WeakPolarHBondContact O-CA 3.38Å; D143-S146 WeakPolarHBondContact O-CB 3.48Å; D143-S146 PolarHBondContact O-N 3.42Å; D143-S146 PolarHBondContact O-OG 3.3Å; S146-N148 PolarHBondContact O-N 3.34Å; S146-L149 WeakPolarHBondContact O-CB 3.5Å; S146-L149 PolarHBondContact O-N 3.34Å; S146-L149 VanDerWaalsContact O-N 3.13Å; S146-T150 WeakPolarHBondContact O-CG2 3.43Å; S146-T150 PolarHBondContact O-N 3.46Å
147	E	97.1	Very high	94.9	Very high	118 Å²	118	99.3 Å²	99.3	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-60.6	-46.3	174.6	-71	179.6	175.4	0	0	111.4	D143 L149 T150 L151	D143-E147 PolarHBondContact O-N 3.19Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.02Å; E147-T150 PolarHBondContact O-N 3.46Å; E147-T150 VanDerWaalsContact O-N 3.14Å; E147-T150 PolarHBondContact O-OG1 3.05Å; E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 2.93Å
148	N	94.9	Very high	95.1	Very high	78 Å²	78	100.6 Å²	100.6	42%	0.417	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-35	175.6	-85.5	-63.4	0	0	0	112.9	V144 R145 S146 K152	V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.13Å; V144-N148 PolarHBondContact O-ND2 3Å; R145-N148 PolarHBondContact O-N 3.27Å; S146-N148 PolarHBondContact O-N 3.34Å; N148-K152 WeakPolarHBondContact O-CB 3.34Å; N148-K152 WeakPolarHBondContact O-CG 3.29Å; N148-K152 PolarHBondContact O-N 3.26Å
149	L	95.5	Very high	95.1	Very high	104 Å²	104	98.2 Å²	98.2	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-66.1	-46.8	174.1	-72.9	169.3	0	0	0	110.8	R145 S146 E147 L151 K152 E153	R145-L149 VanDerWaalsContact O-CG 3.3Å; R145-L149 WeakPolarHBondContact O-CG 3.45Å; R145-L149 PolarHBondContact O-N 3.44Å; S146-L149 WeakPolarHBondContact O-CB 3.5Å; S146-L149 PolarHBondContact O-N 3.34Å; S146-L149 VanDerWaalsContact O-N 3.13Å; E147-L149 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 3.02Å; L149-L151 PolarHBondContact O-N 3.44Å; L149-K152 PolarHBondContact O-N 2.93Å; L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 3.14Å
150	T	95.8	Very high	95.1	Very high	82 Å²	82	99.4 Å²	99.4	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-40.5	177.5	63.6	0	0	0	0	112.8	S146 E147 E153 S154	S146-T150 WeakPolarHBondContact O-CG2 3.43Å; S146-T150 PolarHBondContact O-N 3.46Å; E147-T150 PolarHBondContact O-N 3.46Å; E147-T150 VanDerWaalsContact O-N 3.14Å; E147-T150 PolarHBondContact O-OG1 3.05Å; T150-E153 PolarHBondContact O-N 3.4Å; T150-S154 PolarHBondContact O-N 3.32Å
151	L	96.2	Very high	95.1	Very high	98 Å²	98	100.1 Å²	100.1	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-65.2	-42.7	175.8	-72.4	175.1	0	0	0	111.3	E147 L149 E153 S154 I155	E147-L151 WeakPolarHBondContact O-CG 3.4Å; E147-L151 PolarHBondContact O-N 2.93Å; L149-L151 PolarHBondContact O-N 3.44Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 2.93Å; L151-S154 PolarHBondContact O-N 2.95Å; L151-S154 PolarHBondContact O-OG 3.19Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.47Å
152	K	95.8	Very high	95	Very high	128 Å²	128	101.5 Å²	101.5	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-59.5	-42.4	174.2	-77.4	172.4	-177.5	-178.5	0	112	N148 L149 S154 I155 L156	N148-K152 WeakPolarHBondContact O-CB 3.34Å; N148-K152 WeakPolarHBondContact O-CG 3.29Å; N148-K152 PolarHBondContact O-N 3.26Å; L149-K152 PolarHBondContact O-N 2.93Å; K152-S154 VanDerWaalsContact C-N 3.35Å; K152-S154 PolarHBondContact O-N 3.4Å; K152-I155 PolarHBondContact O-N 3.27Å; K152-L156 WeakPolarHBondContact O-CG 3.25Å; K152-L156 PolarHBondContact O-N 3.06Å
153	E	95.2	Very high	94.7	Very high	115 Å²	115	99.4 Å²	99.4	54%	0.537	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-39.6	175.2	-71.8	178	-174.1	0	0	112.3	L149 T150 L151 L156 K157	L149-E153 WeakPolarHBondContact O-CG 3.38Å; L149-E153 PolarHBondContact O-N 3.14Å; T150-E153 PolarHBondContact O-N 3.4Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 2.93Å; E153-L156 PolarHBondContact O-N 2.9Å; E153-K157 WeakPolarHBondContact O-CG 3.31Å; E153-K157 PolarHBondContact O-N 2.79Å; E153-K157 VanDerWaalsContact O-N 3.09Å
154	S	94.5	Very high	94.6	Very high	47 Å²	47	101.8 Å²	101.8	33%	0.329	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-39.9	175.6	74.7	0	0	0	0	112.7	T150 L151 K152 L156 K157 L158	T150-S154 PolarHBondContact O-N 3.32Å; L151-S154 PolarHBondContact O-N 2.95Å; L151-S154 PolarHBondContact O-OG 3.19Å; K152-S154 VanDerWaalsContact C-N 3.35Å; K152-S154 PolarHBondContact O-N 3.4Å; S154-L156 VanDerWaalsContact C-N 3.35Å; S154-L156 PolarHBondContact O-N 3.44Å; S154-K157 PolarHBondContact O-N 3.42Å; S154-L158 WeakPolarHBondContact O-CG 3.31Å; S154-L158 PolarHBondContact O-N 3.48Å
155	I	94.9	Very high	94.4	Very high	108 Å²	108	103 Å²	103	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-42.2	176.2	-69.4	166.5	0	0	0	110.4	L151 K152 L158 D159	L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.47Å; K152-I155 PolarHBondContact O-N 3.27Å; I155-L158 PolarHBondContact O-N 3.42Å; I155-D159 WeakPolarHBondContact O-CB 3.49Å; I155-D159 PolarHBondContact O-N 2.7Å
156	L	94.2	Very high	94	Very high	109 Å²	109	100.2 Å²	100.2	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-42.4	177	-71.9	171.9	0	0	0	111.9	K152 E153 S154 D159 D160	K152-L156 WeakPolarHBondContact O-CG 3.25Å; K152-L156 PolarHBondContact O-N 3.06Å; E153-L156 PolarHBondContact O-N 2.9Å; S154-L156 VanDerWaalsContact C-N 3.35Å; S154-L156 PolarHBondContact O-N 3.44Å; L156-D159 PolarHBondContact O-N 3.03Å; L156-D160 PolarHBondContact O-N 3.17Å; L156-D160 VanDerWaalsContact O-N 3.1Å
157	K	94.6	Very high	93.7	Very high	139 Å²	139	102.4 Å²	102.4	60%	0.604	51%	0.514	S	S	*	.	H	α-helix	trans	-61.3	-44.2	174.8	-70.5	172.1	-176.3	173.2	0	111.9	E153 S154 D160 E161	E153-K157 WeakPolarHBondContact O-CG 3.31Å; E153-K157 PolarHBondContact O-N 2.79Å; E153-K157 VanDerWaalsContact O-N 3.09Å; S154-K157 PolarHBondContact O-N 3.42Å; K157-D160 PolarHBondContact O-N 3.19Å; K157-E161 PolarHBondContact O-N 3.33Å
158	L	94.6	Very high	93.4	Very high	106 Å²	106	102.5 Å²	102.5	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-66.4	-38	177.6	-72.7	173.1	0	0	0	112.7	S154 I155 D160 E161 L162	S154-L158 WeakPolarHBondContact O-CG 3.31Å; S154-L158 PolarHBondContact O-N 3.48Å; I155-L158 PolarHBondContact O-N 3.42Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.45Å; L158-E161 PolarHBondContact O-N 3.4Å; L158-L162 VanDerWaalsContact O-CB 3.25Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 PolarHBondContact O-N 3.47Å
159	D	91.7	Very high	93.2	Very high	70 Å²	70	105.7 Å²	105.7	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.5	-172.7	43.6	0	0	0	111.2	I155 L156 L162 K163	I155-D159 WeakPolarHBondContact O-CB 3.49Å; I155-D159 PolarHBondContact O-N 2.7Å; L156-D159 PolarHBondContact O-N 3.03Å; D159-L162 PolarHBondContact O-N 3.13Å; D159-K163 VanDerWaalsContact O-CG 3.26Å; D159-K163 WeakPolarHBondContact O-CG 3.39Å; D159-K163 PolarHBondContact O-N 3.12Å; D159-K163 WeakPolarHBondContact OD2-CE 3.3Å; D159-K163 IonicContact OD2-NZ 3.54Å; D159-K163 PolarHBondContact OD2-NZ 3.5Å
160	D	93.2	Very high	92.5	Very high	85 Å²	85	102.6 Å²	102.6	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-70.1	-38.9	175.2	-73.1	-16.3	0	0	0	112.9	L156 K157 L158 K163 K164	L156-D160 PolarHBondContact O-N 3.17Å; L156-D160 VanDerWaalsContact O-N 3.1Å; K157-D160 PolarHBondContact O-N 3.19Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.45Å; D160-K163 PolarHBondContact O-N 3.35Å; D160-K163 IonicContact OD1-NZ 3.98Å; D160-K163 PolarHBondContact OD1-NZ 2.98Å; D160-K164 WeakPolarHBondContact O-CG 3.47Å; D160-K164 PolarHBondContact O-N 3.46Å; D160-K164 VanDerWaalsContact O-N 3.09Å
161	E	93.7	Very high	92.2	Very high	113 Å²	113	105.3 Å²	105.3	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-42.6	172	-72.5	179.4	173.3	0	0	112	K157 L158 K163 K164 V165	K157-E161 PolarHBondContact O-N 3.33Å; L158-E161 PolarHBondContact O-N 3.4Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.44Å; E161-K164 WeakPolarHBondContact O-CB 3.48Å; E161-K164 PolarHBondContact O-N 3.03Å; E161-K164 VanDerWaalsContact O-N 3.09Å; E161-V165 WeakPolarHBondContact O-CG2 3.48Å; E161-V165 PolarHBondContact O-N 3.09Å
162	L	93.8	Very high	91.8	Very high	110 Å²	110	106.7 Å²	106.7	58%	0.576	51%	0.51	S	S	*	.	H	α-helix	trans	-62.9	-38.9	176.8	-175.1	140.3	0	0	0	111.6	L158 D159 K166	L158-L162 VanDerWaalsContact O-CB 3.25Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 PolarHBondContact O-N 3.47Å; D159-L162 PolarHBondContact O-N 3.13Å; L162-K166 VanDerWaalsContact O-CB 3.27Å; L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 3.1Å
163	K	89.8	Confident	91.4	Very high	91 Å²	91	105.3 Å²	105.3	40%	0.396	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-42.5	171.3	-74.7	168.2	-161.2	151.4	0	111.8	D159 D160 E161 K166 N167	D159-K163 VanDerWaalsContact O-CG 3.26Å; D159-K163 WeakPolarHBondContact O-CG 3.39Å; D159-K163 PolarHBondContact O-N 3.12Å; D159-K163 WeakPolarHBondContact OD2-CE 3.3Å; D159-K163 IonicContact OD2-NZ 3.54Å; D159-K163 PolarHBondContact OD2-NZ 3.5Å; D160-K163 PolarHBondContact O-N 3.35Å; D160-K163 IonicContact OD1-NZ 3.98Å; D160-K163 PolarHBondContact OD1-NZ 2.98Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.44Å; K163-K166 PolarHBondContact O-N 3.14Å; K163-N167 WeakPolarHBondContact O-CB 3.34Å; K163-N167 PolarHBondContact O-N 2.96Å; K163-N167 PolarHBondContact O-ND2 2.99Å; K163-N167 PolarHBondContact O-OD1 3.22Å
164	K	93.4	Very high	90.9	Very high	137 Å²	137	104.1 Å²	104.1	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-50.7	176.6	-70.8	172.2	-174.2	174.1	0	111.6	D160 E161 K166 N167 E168	D160-K164 WeakPolarHBondContact O-CG 3.47Å; D160-K164 PolarHBondContact O-N 3.46Å; D160-K164 VanDerWaalsContact O-N 3.09Å; E161-K164 WeakPolarHBondContact O-CB 3.48Å; E161-K164 PolarHBondContact O-N 3.03Å; E161-K164 VanDerWaalsContact O-N 3.09Å; K164-K166 VanDerWaalsContact C-N 3.29Å; K164-K166 PolarHBondContact O-N 2.67Å; K164-N167 WeakPolarHBondContact O-CB 3.4Å; K164-N167 PolarHBondContact O-N 3.42Å; K164-N167 VanDerWaalsContact O-N 3.12Å; K164-E168 PolarHBondContact O-N 3.14Å
165	V	91.4	Very high	90.6	Very high	94 Å²	94	107 Å²	107	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-60	-40.4	178.2	173.4	0	0	0	0	111.3	E161 E168 R169	E161-V165 WeakPolarHBondContact O-CG2 3.48Å; E161-V165 PolarHBondContact O-N 3.09Å; V165-E168 PolarHBondContact O-N 2.83Å; V165-R169 WeakPolarHBondContact O-CB 3.47Å; V165-R169 PolarHBondContact O-N 3.17Å
166	K	88.3	Confident	90.3	Very high	111 Å²	111	107.6 Å²	107.6	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-42.2	175.9	-173	178	178.6	-178.8	0	112.1	L162 K163 K164 R169 D170	L162-K166 VanDerWaalsContact O-CB 3.27Å; L162-K166 WeakPolarHBondContact O-CB 3.46Å; L162-K166 PolarHBondContact O-N 3.1Å; K163-K166 PolarHBondContact O-N 3.14Å; K164-K166 VanDerWaalsContact C-N 3.29Å; K164-K166 PolarHBondContact O-N 2.67Å; K166-R169 PolarHBondContact O-N 2.87Å; K166-D170 WeakPolarHBondContact O-CB 3.34Å; K166-D170 VanDerWaalsContact O-CG 3.22Å; K166-D170 PolarHBondContact O-N 3.48Å
167	N	89.4	Confident	89.7	Confident	108 Å²	108	109.2 Å²	109.2	58%	0.578	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-40.6	177	-69	-16.1	0	0	0	111.8	K163 K164 D170 Y171	K163-N167 WeakPolarHBondContact O-CB 3.34Å; K163-N167 PolarHBondContact O-N 2.96Å; K163-N167 PolarHBondContact O-ND2 2.99Å; K163-N167 PolarHBondContact O-OD1 3.22Å; K164-N167 WeakPolarHBondContact O-CB 3.4Å; K164-N167 PolarHBondContact O-N 3.42Å; K164-N167 VanDerWaalsContact O-N 3.12Å; N167-D170 PolarHBondContact O-N 3.18Å; N167-Y171 WeakPolarHBondContact O-CB 3.35Å; N167-Y171 PolarHBondContact O-N 2.77Å
168	E	89.8	Confident	89.2	Confident	120 Å²	120	107.8 Å²	107.8	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-64	-47.9	174.7	-72.8	176.5	179.6	0	0	111.6	K164 V165 D170 Y171 H172	K164-E168 PolarHBondContact O-N 3.14Å; V165-E168 PolarHBondContact O-N 2.83Å; E168-D170 VanDerWaalsContact C-N 3.33Å; E168-D170 PolarHBondContact O-N 3.25Å; E168-Y171 WeakPolarHBondContact O-CB 3.29Å; E168-Y171 PolarHBondContact O-N 3.1Å; E168-H172 PolarHBondContact O-CD2 2.84Å; E168-H172 PolarHBondContact O-N 3.47Å
169	R	90.7	Very high	89	Confident	144 Å²	144	106.4 Å²	106.4	54%	0.543	50%	0.5	S	S	.	.	H	α-helix	trans	-56.4	-47.8	175.3	-172.9	-164.8	71.9	162.9	4.5	111.3	V165 K166 Y171 H172 M173	V165-R169 WeakPolarHBondContact O-CB 3.47Å; V165-R169 PolarHBondContact O-N 3.17Å; K166-R169 PolarHBondContact O-N 2.87Å; R169-Y171 VanDerWaalsContact C-N 3.33Å; R169-Y171 PolarHBondContact O-N 2.79Å; R169-H172 PolarHBondContact O-N 2.91Å; R169-M173 WeakPolarHBondContact O-CG 3.36Å; R169-M173 PolarHBondContact O-N 3.21Å
170	D	82.6	Confident	88.9	Confident	40 Å²	40	106.6 Å²	106.6	21%	0.214	50%	0.501	C	S	.	.	H	α-helix	trans	-65.8	-36.2	-179.7	-71.4	0.6	0	0	0	111	K166 N167 E168 M173 I174	K166-D170 WeakPolarHBondContact O-CB 3.34Å; K166-D170 VanDerWaalsContact O-CG 3.22Å; K166-D170 PolarHBondContact O-N 3.48Å; N167-D170 PolarHBondContact O-N 3.18Å; E168-D170 VanDerWaalsContact C-N 3.33Å; E168-D170 PolarHBondContact O-N 3.25Å; D170-M173 PolarHBondContact O-N 3.01Å; D170-I174 WeakPolarHBondContact O-CD1 3.39Å; D170-I174 VanDerWaalsContact O-CG1 3.23Å; D170-I174 WeakPolarHBondContact O-CG1 3.29Å; D170-I174 PolarHBondContact O-N 3.3Å
171	Y	88.7	Confident	88.4	Confident	139 Å²	139	105.9 Å²	105.9	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-47.8	171.2	173.9	-94.6	0	0	0	112.2	N167 E168 R169 M173 I174 K175	N167-Y171 WeakPolarHBondContact O-CB 3.35Å; N167-Y171 PolarHBondContact O-N 2.77Å; E168-Y171 WeakPolarHBondContact O-CB 3.29Å; E168-Y171 PolarHBondContact O-N 3.1Å; R169-Y171 VanDerWaalsContact C-N 3.33Å; R169-Y171 PolarHBondContact O-N 2.79Å; Y171-M173 VanDerWaalsContact C-N 3.34Å; Y171-M173 PolarHBondContact O-N 2.97Å; Y171-I174 PolarHBondContact O-N 2.91Å; Y171-K175 HydrophobicContact CE1-CD 4.11Å; Y171-K175 WeakPolarHBondContact O-CB 3.44Å; Y171-K175 PolarHBondContact O-N 3.44Å
172	H	88.6	Confident	88.2	Confident	126 Å²	126	105.3 Å²	105.3	58%	0.583	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-40.4	176.9	-78.3	-72.7	0	0	0	112.2	E168 R169 K175 H176	E168-H172 PolarHBondContact O-CD2 2.84Å; E168-H172 PolarHBondContact O-N 3.47Å; R169-H172 PolarHBondContact O-N 2.91Å; H172-K175 PolarHBondContact O-N 3.47Å; H172-H176 WeakPolarHBondContact O-CB 3.37Å; H172-H176 PolarHBondContact O-N 2.86Å
173	M	86.9	Confident	87.9	Confident	100 Å²	100	107 Å²	107	49%	0.493	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-43.8	175.3	-74.2	-165.7	73.5	0	0	112.6	R169 D170 Y171 R177	R169-M173 WeakPolarHBondContact O-CG 3.36Å; R169-M173 PolarHBondContact O-N 3.21Å; D170-M173 PolarHBondContact O-N 3.01Å; Y171-M173 VanDerWaalsContact C-N 3.34Å; Y171-M173 PolarHBondContact O-N 2.97Å; M173-R177 WeakPolarHBondContact O-CB 3.2Å; M173-R177 PolarHBondContact O-N 3.12Å
174	I	85.1	Confident	87.7	Confident	89 Å²	89	108 Å²	108	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-45.6	177.4	-68.7	163.8	0	0	0	110.2	D170 Y171 R177 Q178	D170-I174 WeakPolarHBondContact O-CD1 3.39Å; D170-I174 VanDerWaalsContact O-CG1 3.23Å; D170-I174 WeakPolarHBondContact O-CG1 3.29Å; D170-I174 PolarHBondContact O-N 3.3Å; Y171-I174 PolarHBondContact O-N 2.91Å; I174-R177 PolarHBondContact O-N 2.95Å; I174-Q178 WeakPolarHBondContact O-CG 3.43Å; I174-Q178 PolarHBondContact O-N 3.42Å
175	K	86.7	Confident	87.5	Confident	108 Å²	108	106.2 Å²	106.2	47%	0.47	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-44.7	179.3	-169.3	173.5	-176	175.8	0	111.8	Y171 H172 R177 Q178 T179	Y171-K175 HydrophobicContact CE1-CD 4.11Å; Y171-K175 WeakPolarHBondContact O-CB 3.44Å; Y171-K175 PolarHBondContact O-N 3.44Å; H172-K175 PolarHBondContact O-N 3.47Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.35Å; K175-Q178 PolarHBondContact O-N 3.03Å; K175-T179 WeakPolarHBondContact O-CG2 3.44Å; K175-T179 PolarHBondContact O-N 2.94Å; K175-T179 PolarHBondContact O-OG1 3.04Å
176	H	88.7	Confident	87.6	Confident	120 Å²	120	106.9 Å²	106.9	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-61	-42.1	175.7	-174.9	66.7	0	0	0	111.7	H172 T179 L180	H172-H176 WeakPolarHBondContact O-CB 3.37Å; H172-H176 PolarHBondContact O-N 2.86Å; H176-T179 WeakPolarHBondContact CA-OG1 3.48Å; H176-T179 PolarHBondContact O-N 3.4Å; H176-T179 PolarHBondContact O-OG1 2.78Å; H176-L180 PolarHBondContact O-N 2.95Å
177	R	81.3	Confident	87.8	Confident	144 Å²	144	107.9 Å²	107.9	54%	0.543	50%	0.502	S	S	.	.	H	α-helix	trans	-63.8	-43.6	176.5	-170.6	-179.5	-64	159.9	0.3	112.7	M173 I174 K175 T179 L180 Q181	M173-R177 WeakPolarHBondContact O-CB 3.2Å; M173-R177 PolarHBondContact O-N 3.12Å; I174-R177 PolarHBondContact O-N 2.95Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.35Å; R177-T179 VanDerWaalsContact C-N 3.31Å; R177-T179 PolarHBondContact O-N 2.94Å; R177-L180 PolarHBondContact O-N 2.82Å; R177-Q181 WeakPolarHBondContact O-CG 3.42Å; R177-Q181 PolarHBondContact O-N 3.47Å
178	Q	85.3	Confident	87.7	Confident	109 Å²	109	106.2 Å²	106.2	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-44.3	174.4	-74.8	175	-7.1	0	0	111.1	I174 K175 L180 Q181 D182	I174-Q178 WeakPolarHBondContact O-CG 3.43Å; I174-Q178 PolarHBondContact O-N 3.42Å; K175-Q178 PolarHBondContact O-N 3.03Å; Q178-L180 VanDerWaalsContact C-N 3.31Å; Q178-L180 PolarHBondContact O-N 3.44Å; Q178-Q181 PolarHBondContact O-N 2.8Å; Q178-D182 PolarHBondContact O-N 3.39Å
179	T	89.7	Confident	87.7	Confident	77 Å²	77	102.8 Å²	102.8	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-33.7	177.7	55.9	0	0	0	0	113.4	K175 H176 R177 K183	K175-T179 WeakPolarHBondContact O-CG2 3.44Å; K175-T179 PolarHBondContact O-N 2.94Å; K175-T179 PolarHBondContact O-OG1 3.04Å; H176-T179 WeakPolarHBondContact CA-OG1 3.48Å; H176-T179 PolarHBondContact O-N 3.4Å; H176-T179 PolarHBondContact O-OG1 2.78Å; R177-T179 VanDerWaalsContact C-N 3.31Å; R177-T179 PolarHBondContact O-N 2.94Å; T179-K183 WeakPolarHBondContact O-CB 3.31Å; T179-K183 PolarHBondContact O-N 3.36Å; T179-K183 VanDerWaalsContact O-N 3.08Å
180	L	90	Very high	87.9	Confident	74 Å²	74	100.3 Å²	100.3	39%	0.387	48%	0.48	S	S	.	.	H	α-helix	trans	-68.4	-43.7	174.1	-77.6	170.6	0	0	0	111.8	H176 R177 Q178 K183 E184	H176-L180 PolarHBondContact O-N 2.95Å; R177-L180 PolarHBondContact O-N 2.82Å; Q178-L180 VanDerWaalsContact C-N 3.31Å; Q178-L180 PolarHBondContact O-N 3.44Å; L180-K183 WeakPolarHBondContact O-CB 3.45Å; L180-K183 PolarHBondContact O-N 3.42Å; L180-E184 WeakPolarHBondContact O-CG 3.37Å; L180-E184 PolarHBondContact O-N 2.72Å
181	Q	83.7	Confident	88.4	Confident	70 Å²	70	104.3 Å²	104.3	33%	0.327	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-43.6	176.7	-71.7	178.1	-13.7	0	0	112.2	R177 Q178 K183 E184 K185	R177-Q181 WeakPolarHBondContact O-CG 3.42Å; R177-Q181 PolarHBondContact O-N 3.47Å; Q178-Q181 PolarHBondContact O-N 2.8Å; Q181-K183 VanDerWaalsContact C-N 3.28Å; Q181-K183 PolarHBondContact O-N 2.93Å; Q181-E184 PolarHBondContact O-N 2.8Å; Q181-K185 WeakPolarHBondContact O-CB 3.49Å; Q181-K185 PolarHBondContact O-N 2.85Å
182	D	87.9	Confident	88.5	Confident	100 Å²	100	104 Å²	104	54%	0.535	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.4	-77	-20.6	0	0	0	111	Q178 K185 L186	Q178-D182 PolarHBondContact O-N 3.39Å; D182-K185 PolarHBondContact O-N 3.09Å; D182-L186 WeakPolarHBondContact O-CB 3.36Å; D182-L186 WeakPolarHBondContact O-CG 3.32Å; D182-L186 PolarHBondContact O-N 3.34Å
183	K	89.2	Confident	88.8	Confident	147 Å²	147	102.9 Å²	102.9	64%	0.639	50%	0.495	S	S	*	.	H	α-helix	trans	-63.6	-44.7	175.2	-176.9	-176.3	176.6	-177.4	0	112.2	T179 L180 Q181 L186 H187	T179-K183 WeakPolarHBondContact O-CB 3.31Å; T179-K183 PolarHBondContact O-N 3.36Å; T179-K183 VanDerWaalsContact O-N 3.08Å; L180-K183 WeakPolarHBondContact O-CB 3.45Å; L180-K183 PolarHBondContact O-N 3.42Å; Q181-K183 VanDerWaalsContact C-N 3.28Å; Q181-K183 PolarHBondContact O-N 2.93Å; K183-L186 PolarHBondContact O-N 2.91Å; K183-H187 WeakPolarHBondContact O-CB 3.43Å; K183-H187 PolarHBondContact O-N 3.29Å
184	E	84.4	Confident	89.1	Confident	112 Å²	112	105 Å²	105	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-65.9	-42.1	177.8	-74.1	175.6	176.7	0	0	112	L180 Q181 H187 C188	L180-E184 WeakPolarHBondContact O-CG 3.37Å; L180-E184 PolarHBondContact O-N 2.72Å; Q181-E184 PolarHBondContact O-N 2.8Å; E184-H187 WeakPolarHBondContact O-CB 3.28Å; E184-H187 PolarHBondContact O-N 3.19Å; E184-H187 VanDerWaalsContact O-N 3.15Å; E184-C188 PolarHBondContact O-N 2.75Å
185	K	90	Very high	89.4	Confident	99 Å²	99	105.4 Å²	105.4	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-48.3	175.1	-176.4	179.6	177.9	-179.6	0	111.3	Q181 D182 H187 C188 D189	Q181-K185 WeakPolarHBondContact O-CB 3.49Å; Q181-K185 PolarHBondContact O-N 2.85Å; D182-K185 PolarHBondContact O-N 3.09Å; K185-H187 PolarHBondContact O-N 2.82Å; K185-C188 PolarHBondContact O-N 3.13Å; K185-C188 VanDerWaalsContact O-N 3.17Å; K185-D189 PolarHBondContact O-N 2.98Å
186	L	92.9	Very high	89.7	Confident	108 Å²	108	104.7 Å²	104.7	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-59.3	-37.7	175	-73.4	172.5	0	0	0	111.5	D182 K183 D189 I190	D182-L186 WeakPolarHBondContact O-CB 3.36Å; D182-L186 WeakPolarHBondContact O-CG 3.32Å; D182-L186 PolarHBondContact O-N 3.34Å; K183-L186 PolarHBondContact O-N 2.91Å; L186-D189 PolarHBondContact O-N 2.69Å; L186-I190 WeakPolarHBondContact O-CB 3.32Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.47Å; L186-I190 PolarHBondContact O-N 2.85Å
187	H	92.6	Very high	90	Very high	131 Å²	131	107.6 Å²	107.6	61%	0.606	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-43.6	175.9	-167.6	68.2	0	0	0	112.4	K183 E184 K185 I190 K191	K183-H187 WeakPolarHBondContact O-CB 3.43Å; K183-H187 PolarHBondContact O-N 3.29Å; E184-H187 WeakPolarHBondContact O-CB 3.28Å; E184-H187 PolarHBondContact O-N 3.19Å; E184-H187 VanDerWaalsContact O-N 3.15Å; K185-H187 PolarHBondContact O-N 2.82Å; H187-I190 PolarHBondContact O-N 2.79Å; H187-K191 PolarHBondContact O-N 3.45Å
188	C	87.8	Confident	90.5	Very high	74 Å²	74	103.4 Å²	103.4	50%	0.5	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-43.7	174.9	-73.6	0	0	0	0	112.5	E184 K185 K191 R192	E184-C188 PolarHBondContact O-N 2.75Å; K185-C188 PolarHBondContact O-N 3.13Å; K185-C188 VanDerWaalsContact O-N 3.17Å; C188-K191 WeakPolarHBondContact O-CB 3.45Å; C188-K191 PolarHBondContact O-N 2.87Å; C188-K191 VanDerWaalsContact O-N 3.17Å; C188-R192 PolarHBondContact O-N 3.3Å
189	D	89	Confident	90.9	Very high	48 Å²	48	103.8 Å²	103.8	26%	0.257	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-40.8	178.3	-71.9	-24.3	0	0	0	111.1	K185 L186 K191 R192 V193	K185-D189 PolarHBondContact O-N 2.98Å; L186-D189 PolarHBondContact O-N 2.69Å; D189-K191 VanDerWaalsContact C-N 3.31Å; D189-K191 PolarHBondContact O-N 3.4Å; D189-R192 PolarHBondContact O-N 3.38Å; D189-R192 IonicContact OD1-CZ 2.7Å; D189-R192 IonicContact OD1-NH1 3.77Å; D189-R192 PolarHBondContact OD1-NH1 3.43Å; D189-R192 IonicContact OD1-NH2 3.36Å; D189-V193 VanDerWaalsContact O-CG2 3.29Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.34Å
190	I	95.2	Very high	91.1	Very high	92 Å²	92	105.7 Å²	105.7	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-42.3	172.3	-71.5	164.7	0	0	0	110.9	L186 H187 V193 K194	L186-I190 WeakPolarHBondContact O-CB 3.32Å; L186-I190 WeakPolarHBondContact O-CD1 3.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.47Å; L186-I190 PolarHBondContact O-N 2.85Å; H187-I190 PolarHBondContact O-N 2.79Å; I190-V193 PolarHBondContact O-N 3.34Å; I190-K194 HydrophobicContact CG2-CD 4.39Å; I190-K194 WeakPolarHBondContact O-CG 3.18Å; I190-K194 PolarHBondContact O-N 3.29Å
191	K	92.6	Very high	91.2	Very high	124 Å²	124	107 Å²	107	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-43.9	178.4	-168.5	-177.2	175.8	-171.8	0	111.7	H187 C188 D189 V193 K194 E195	H187-K191 PolarHBondContact O-N 3.45Å; C188-K191 WeakPolarHBondContact O-CB 3.45Å; C188-K191 PolarHBondContact O-N 2.87Å; C188-K191 VanDerWaalsContact O-N 3.17Å; D189-K191 VanDerWaalsContact C-N 3.31Å; D189-K191 PolarHBondContact O-N 3.4Å; K191-V193 PolarHBondContact O-N 3.41Å; K191-K194 WeakPolarHBondContact O-CB 2.91Å; K191-K194 PolarHBondContact O-N 2.93Å; K191-K194 VanDerWaalsContact O-N 3.16Å; K191-E195 WeakPolarHBondContact CE-OE1 3.34Å; K191-E195 WeakPolarHBondContact O-CG 3.49Å; K191-E195 PolarHBondContact O-N 3.41Å
192	R	91.5	Very high	91.8	Very high	131 Å²	131	106.4 Å²	106.4	49%	0.494	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.6	-167.3	-173.5	-61.8	124.3	4.1	111.7	C188 D189 K194 E195 H196	C188-R192 PolarHBondContact O-N 3.3Å; D189-R192 PolarHBondContact O-N 3.38Å; D189-R192 IonicContact OD1-CZ 2.7Å; D189-R192 IonicContact OD1-NH1 3.77Å; D189-R192 PolarHBondContact OD1-NH1 3.43Å; D189-R192 IonicContact OD1-NH2 3.36Å; R192-K194 VanDerWaalsContact C-N 3.3Å; R192-K194 PolarHBondContact O-N 2.87Å; R192-E195 PolarHBondContact O-N 2.89Å; R192-H196 PolarHBondContact O-N 2.79Å
193	V	93.4	Very high	92.1	Very high	103 Å²	103	106.2 Å²	106.2	62%	0.624	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-38.9	175.6	171.2	0	0	0	0	111.1	D189 I190 K191 Y197	D189-V193 VanDerWaalsContact O-CG2 3.29Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.34Å; I190-V193 PolarHBondContact O-N 3.34Å; K191-V193 PolarHBondContact O-N 3.41Å; V193-Y197 WeakPolarHBondContact O-CB 3.28Å; V193-Y197 PolarHBondContact O-N 3.27Å
194	K	93.8	Very high	92.4	Very high	145 Å²	145	104.5 Å²	104.5	63%	0.63	51%	0.506	S	S	*	.	H	α-helix	trans	-64.6	-40.6	174.6	-74.7	177.9	177.4	-174.6	0	112.7	I190 K191 R192 Y197 A198	I190-K194 HydrophobicContact CG2-CD 4.39Å; I190-K194 WeakPolarHBondContact O-CG 3.18Å; I190-K194 PolarHBondContact O-N 3.29Å; K191-K194 WeakPolarHBondContact O-CB 2.91Å; K191-K194 PolarHBondContact O-N 2.93Å; K191-K194 VanDerWaalsContact O-N 3.16Å; R192-K194 VanDerWaalsContact C-N 3.3Å; R192-K194 PolarHBondContact O-N 2.87Å; K194-Y197 PolarHBondContact O-N 3.08Å; K194-A198 PolarHBondContact O-N 3.23Å
195	E	92.2	Very high	92.8	Very high	98 Å²	98	106.1 Å²	106.1	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-47.6	176.7	-72.2	167	-176	0	0	111.1	K191 R192 Y197 A198 E199	K191-E195 WeakPolarHBondContact CE-OE1 3.34Å; K191-E195 WeakPolarHBondContact O-CG 3.49Å; K191-E195 PolarHBondContact O-N 3.41Å; R192-E195 PolarHBondContact O-N 2.89Å; E195-Y197 VanDerWaalsContact C-N 3.3Å; E195-Y197 PolarHBondContact O-N 2.95Å; E195-A198 WeakPolarHBondContact O-CA 3.28Å; E195-A198 WeakPolarHBondContact O-CB 3Å; E195-A198 PolarHBondContact O-N 3.08Å; E195-E199 PolarHBondContact O-N 3.33Å
196	H	93.4	Very high	93.1	Very high	93 Å²	93	106.2 Å²	106.2	43%	0.431	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-36.3	177.4	-165.1	-114.1	0	0	0	112.5	R192 A198 E199 Y200	R192-H196 PolarHBondContact O-N 2.79Å; H196-A198 VanDerWaalsContact C-N 3.33Å; H196-E199 IonicContact CD2-OE2 3.8Å; H196-E199 PolarHBondContact O-N 3.23Å; H196-Y200 AromaticContact CE1-CE2 3.17Å; H196-Y200 WeakPolarHBondContact CE1-CE2 3.43Å; H196-Y200 AromaticContact CE1-CZ 3.39Å; H196-Y200 PolarHBondContact CE1-OH 2.97Å; H196-Y200 AromaticContact ND1-CE2 3.29Å; H196-Y200 VanDerWaalsContact ND1-CE2 3.29Å; H196-Y200 WeakPolarHBondContact ND1-CE2 3.46Å; H196-Y200 AromaticContact ND1-CZ 4Å; H196-Y200 AromaticContact NE2-CE2 3.92Å; H196-Y200 AromaticContact NE2-CZ 3.87Å; H196-Y200 PolarHBondContact NE2-OH 3.12Å; H196-Y200 WeakPolarHBondContact O-CD2 3.34Å; H196-Y200 PolarHBondContact O-N 3.37Å
197	Y	93.7	Very high	93.3	Very high	180 Å²	180	105.1 Å²	105.1	71%	0.706	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-38.9	172.2	-173	-93.9	0	0	0	112.1	V193 K194 E195 E199 Y200	V193-Y197 WeakPolarHBondContact O-CB 3.28Å; V193-Y197 PolarHBondContact O-N 3.27Å; K194-Y197 PolarHBondContact O-N 3.08Å; E195-Y197 VanDerWaalsContact C-N 3.3Å; E195-Y197 PolarHBondContact O-N 2.95Å; Y197-E199 VanDerWaalsContact C-N 3.33Å; Y197-E199 PolarHBondContact O-N 3.18Å; Y197-Y200 PolarHBondContact O-N 2.97Å
198	A	92.5	Very high	93.5	Very high	56 Å²	56	107.6 Å²	107.6	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-67.6	-30.6	177.1	0	0	0	0	0	112.9	K194 E195 H196 P202	K194-A198 PolarHBondContact O-N 3.23Å; E195-A198 WeakPolarHBondContact O-CA 3.28Å; E195-A198 WeakPolarHBondContact O-CB 3Å; E195-A198 PolarHBondContact O-N 3.08Å; H196-A198 VanDerWaalsContact C-N 3.33Å; A198-P202 WeakPolarHBondContact O-CD 3.28Å
199	E	92.7	Very high	93.9	Very high	118 Å²	118	109.6 Å²	109.6	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-70.3	-33.5	176.8	-71.1	175.8	-176	0	0	113.4	E195 H196 Y197 E201 P202 I203	E195-E199 PolarHBondContact O-N 3.33Å; H196-E199 IonicContact CD2-OE2 3.8Å; H196-E199 PolarHBondContact O-N 3.23Å; Y197-E199 VanDerWaalsContact C-N 3.33Å; Y197-E199 PolarHBondContact O-N 3.18Å; E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 3.49Å; E199-P202 VanDerWaalsContact O-CD 3.25Å; E199-P202 WeakPolarHBondContact O-CD 3.25Å; E199-P202 WeakPolarHBondContact O-CG 3.4Å; E199-I203 WeakPolarHBondContact O-CG1 3.41Å
200	Y	94.6	Very high	94.3	Very high	116 Å²	116	114.4 Å²	114.4	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-70.5	-29.5	177.8	-75.2	-57.6	0	0	0	113.4	H196 Y197 I203 L204	H196-Y200 AromaticContact CE1-CE2 3.17Å; H196-Y200 WeakPolarHBondContact CE1-CE2 3.43Å; H196-Y200 AromaticContact CE1-CZ 3.39Å; H196-Y200 PolarHBondContact CE1-OH 2.97Å; H196-Y200 AromaticContact ND1-CE2 3.29Å; H196-Y200 VanDerWaalsContact ND1-CE2 3.29Å; H196-Y200 WeakPolarHBondContact ND1-CE2 3.46Å; H196-Y200 AromaticContact ND1-CZ 4Å; H196-Y200 AromaticContact NE2-CE2 3.92Å; H196-Y200 AromaticContact NE2-CZ 3.87Å; H196-Y200 PolarHBondContact NE2-OH 3.12Å; H196-Y200 WeakPolarHBondContact O-CD2 3.34Å; H196-Y200 PolarHBondContact O-N 3.37Å; Y197-Y200 PolarHBondContact O-N 2.97Å; Y200-I203 PolarHBondContact O-N 2.72Å; Y200-L204 WeakPolarHBondContact O-CB 3.27Å; Y200-L204 VanDerWaalsContact O-CG 3.29Å; Y200-L204 WeakPolarHBondContact O-CG 3.34Å; Y200-L204 PolarHBondContact O-N 2.86Å
201	E	93	Very high	94.4	Very high	103 Å²	103	117.3 Å²	117.3	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-56	-50.7	-177.1	-158	-170.4	159.7	0	0	113.8	E199 R205	E199-E201 VanDerWaalsContact C-N 3.33Å; E199-E201 PolarHBondContact O-N 3.49Å; E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.02Å; E201-R205 IonicContact OE1-NH2 3.02Å; E201-R205 PolarHBondContact OE1-NH2 3.42Å; E201-R205 IonicContact OE2-NH2 3.79Å
202	P	94.7	Very high	94.6	Very high	56 Å²	56	116.1 Å²	116.1	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-70.3	-34.7	176.5	27.6	-36.2	0	0	0	113.5	A198 E199 L204 R205 L206	A198-P202 WeakPolarHBondContact O-CD 3.28Å; E199-P202 VanDerWaalsContact O-CD 3.25Å; E199-P202 WeakPolarHBondContact O-CD 3.25Å; E199-P202 WeakPolarHBondContact O-CG 3.4Å; P202-L204 VanDerWaalsContact C-N 3.32Å; P202-L204 PolarHBondContact O-N 3.46Å; P202-R205 PolarHBondContact O-N 2.84Å; P202-L206 PolarHBondContact O-N 3.35Å
203	I	95.1	Very high	94.8	Very high	97 Å²	97	113 Å²	113	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-43.8	178.9	-64.6	172.2	0	0	0	109.8	E199 Y200 R205 L206 L207	E199-I203 WeakPolarHBondContact O-CG1 3.41Å; Y200-I203 PolarHBondContact O-N 2.72Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.5Å; I203-L206 PolarHBondContact O-N 3.46Å; I203-L207 VanDerWaalsContact O-CB 3.29Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 PolarHBondContact O-N 3.35Å
204	L	94.9	Very high	94.9	Very high	110 Å²	110	110.4 Å²	110.4	58%	0.576	52%	0.519	S	S	*	.	H	α-helix	trans	-62.7	-38.2	176	-70.5	171.7	0	0	0	111.8	Y200 P202 R208	Y200-L204 WeakPolarHBondContact O-CB 3.27Å; Y200-L204 VanDerWaalsContact O-CG 3.29Å; Y200-L204 WeakPolarHBondContact O-CG 3.34Å; Y200-L204 PolarHBondContact O-N 2.86Å; P202-L204 VanDerWaalsContact C-N 3.32Å; P202-L204 PolarHBondContact O-N 3.46Å; L204-R208 WeakPolarHBondContact O-CB 3.48Å; L204-R208 PolarHBondContact O-N 3.47Å
205	R	94.4	Very high	95.1	Very high	146 Å²	146	109.3 Å²	109.3	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-46.8	173.8	-70	-171.6	-140.1	120.3	-1.5	112.3	E201 P202 I203 R208 Q209	E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.02Å; E201-R205 IonicContact OE1-NH2 3.02Å; E201-R205 PolarHBondContact OE1-NH2 3.42Å; E201-R205 IonicContact OE2-NH2 3.79Å; P202-R205 PolarHBondContact O-N 2.84Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.5Å; R205-R208 WeakPolarHBondContact O-CB 3.26Å; R205-R208 PolarHBondContact O-N 3.09Å; R205-Q209 PolarHBondContact O-N 3.1Å
206	L	95.8	Very high	95.3	Very high	102 Å²	102	111 Å²	111	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-41.5	178.2	-74	173.6	0	0	0	111.9	P202 I203 R208 Q209 K210	P202-L206 PolarHBondContact O-N 3.35Å; I203-L206 PolarHBondContact O-N 3.46Å; L206-R208 VanDerWaalsContact C-N 3.35Å; L206-Q209 PolarHBondContact O-N 2.9Å; L206-K210 WeakPolarHBondContact O-CG 3.38Å; L206-K210 PolarHBondContact O-N 2.94Å
207	L	96.9	Very high	95.4	Very high	84 Å²	84	112.3 Å²	112.3	44%	0.44	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-45.5	176.9	-167.6	73.7	0	0	0	110.3	I203 Q209 K210 Y211	I203-L207 VanDerWaalsContact O-CB 3.29Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 PolarHBondContact O-N 3.35Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.78Å; L207-K210 PolarHBondContact O-N 2.99Å; L207-Y211 HydrophobicContact CD1-CD2 4.44Å; L207-Y211 HydrophobicContact CD1-CE2 3.98Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 HydrophobicContact CG-CD2 3.88Å; L207-Y211 HydrophobicContact CG-CE2 3.63Å; L207-Y211 WeakPolarHBondContact O-CD2 3.42Å; L207-Y211 PolarHBondContact O-N 3.43Å
208	R	96.7	Very high	95.5	Very high	183 Å²	183	111.1 Å²	111.1	69%	0.691	53%	0.528	S	S	*	.	H	α-helix	trans	-57.4	-44.4	174.5	-165	-179	-140.9	-158.1	4	111.7	L204 R205 L206 Y211 E212	L204-R208 WeakPolarHBondContact O-CB 3.48Å; L204-R208 PolarHBondContact O-N 3.47Å; R205-R208 WeakPolarHBondContact O-CB 3.26Å; R205-R208 PolarHBondContact O-N 3.09Å; L206-R208 VanDerWaalsContact C-N 3.35Å; R208-Y211 PolarHBondContact O-N 2.96Å; R208-E212 WeakPolarHBondContact O-CG 3.25Å; R208-E212 PolarHBondContact O-N 3.41Å
209	Q	96.7	Very high	95.7	Very high	117 Å²	117	112.4 Å²	112.4	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177	-170.4	-179	4.6	0	0	112.1	R205 L206 L207 Y211 E212 T213	R205-Q209 PolarHBondContact O-N 3.1Å; L206-Q209 PolarHBondContact O-N 2.9Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 2.78Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Q209-Y211 PolarHBondContact O-N 2.92Å; Q209-E212 WeakPolarHBondContact O-CB 3.28Å; Q209-E212 PolarHBondContact O-N 3.16Å; Q209-T213 WeakPolarHBondContact O-CG2 3.48Å; Q209-T213 PolarHBondContact O-N 3.37Å; Q209-T213 PolarHBondContact O-OG1 3.09Å
210	K	96.8	Very high	95.9	Very high	149 Å²	149	111 Å²	111	65%	0.648	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-40.2	175.8	-74.6	-177.2	179.1	-176.5	0	112.4	L206 L207 E212 T213 A214	L206-K210 WeakPolarHBondContact O-CG 3.38Å; L206-K210 PolarHBondContact O-N 2.94Å; L207-K210 PolarHBondContact O-N 2.99Å; K210-E212 VanDerWaalsContact C-N 3.35Å; K210-T213 WeakPolarHBondContact CA-OG1 3.27Å; K210-T213 PolarHBondContact O-N 3.02Å; K210-T213 PolarHBondContact O-OG1 3.1Å; K210-A214 VanDerWaalsContact O-CB 3.26Å; K210-A214 WeakPolarHBondContact O-CB 3.42Å; K210-A214 PolarHBondContact O-N 2.81Å
211	Y	97.1	Very high	95.9	Very high	153 Å²	153	110.5 Å²	110.5	60%	0.6	53%	0.527	S	S	*	.	H	α-helix	trans	-63.4	-42	174.2	-85.5	-69.2	0	0	0	111.5	L207 R208 Q209 M215	L207-Y211 HydrophobicContact CD1-CD2 4.44Å; L207-Y211 HydrophobicContact CD1-CE2 3.98Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 HydrophobicContact CG-CD2 3.88Å; L207-Y211 HydrophobicContact CG-CE2 3.63Å; L207-Y211 WeakPolarHBondContact O-CD2 3.42Å; L207-Y211 PolarHBondContact O-N 3.43Å; R208-Y211 PolarHBondContact O-N 2.96Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Q209-Y211 PolarHBondContact O-N 2.92Å; Y211-M215 VanDerWaalsContact O-CB 3.29Å; Y211-M215 WeakPolarHBondContact O-CB 3.4Å; Y211-M215 VanDerWaalsContact O-CG 3.23Å; Y211-M215 WeakPolarHBondContact O-CG 3.46Å; Y211-M215 PolarHBondContact O-N 2.9Å
212	E	96.9	Very high	96	Very high	99 Å²	99	113.8 Å²	113.8	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175.1	-74.8	178.9	-169	0	0	112.5	R208 Q209 K210 K216	R208-E212 WeakPolarHBondContact O-CG 3.25Å; R208-E212 PolarHBondContact O-N 3.41Å; Q209-E212 WeakPolarHBondContact O-CB 3.28Å; Q209-E212 PolarHBondContact O-N 3.16Å; K210-E212 VanDerWaalsContact C-N 3.35Å; E212-K216 VanDerWaalsContact O-CG 3.25Å; E212-K216 WeakPolarHBondContact O-CG 3.21Å; E212-K216 PolarHBondContact O-N 2.81Å
213	T	95.8	Very high	96.1	Very high	64 Å²	64	115.3 Å²	115.3	39%	0.393	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-45.8	177.7	56.7	0	0	0	0	111.9	Q209 K210 M215 K216 E217	Q209-T213 WeakPolarHBondContact O-CG2 3.48Å; Q209-T213 PolarHBondContact O-N 3.37Å; Q209-T213 PolarHBondContact O-OG1 3.09Å; K210-T213 WeakPolarHBondContact CA-OG1 3.27Å; K210-T213 PolarHBondContact O-N 3.02Å; K210-T213 PolarHBondContact O-OG1 3.1Å; T213-M215 VanDerWaalsContact C-N 3.28Å; T213-M215 PolarHBondContact O-N 3.32Å; T213-K216 WeakPolarHBondContact O-CA 3.4Å; T213-K216 WeakPolarHBondContact O-CB 3.2Å; T213-K216 PolarHBondContact O-N 3.18Å; T213-E217 WeakPolarHBondContact O-CG 3.49Å; T213-E217 PolarHBondContact O-N 2.97Å
214	A	96.7	Very high	96	Very high	50 Å²	50	115.1 Å²	115.1	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-62	-38	177.6	0	0	0	0	0	111.6	K210 K218	K210-A214 VanDerWaalsContact O-CB 3.26Å; K210-A214 WeakPolarHBondContact O-CB 3.42Å; K210-A214 PolarHBondContact O-N 2.81Å; A214-K218 WeakPolarHBondContact O-CB 3.12Å; A214-K218 PolarHBondContact O-N 3.44Å
215	M	96.7	Very high	96	Very high	121 Å²	121	116.9 Å²	116.9	60%	0.596	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-44.5	172	-78.3	-68.5	-175.4	0	0	111.4	Y211 T213 K218 T219	Y211-M215 VanDerWaalsContact O-CB 3.29Å; Y211-M215 WeakPolarHBondContact O-CB 3.4Å; Y211-M215 VanDerWaalsContact O-CG 3.23Å; Y211-M215 WeakPolarHBondContact O-CG 3.46Å; Y211-M215 PolarHBondContact O-N 2.9Å; T213-M215 VanDerWaalsContact C-N 3.28Å; T213-M215 PolarHBondContact O-N 3.32Å; M215-K218 PolarHBondContact O-N 2.78Å; M215-T219 WeakPolarHBondContact O-CG2 3.26Å; M215-T219 PolarHBondContact O-N 3.36Å; M215-T219 PolarHBondContact O-OG1 2.9Å
216	K	97	Very high	96	Very high	134 Å²	134	113.6 Å²	113.6	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-45.4	175.9	-73.3	169.9	-176	175.8	0	112.3	E212 T213 T219 L220	E212-K216 VanDerWaalsContact O-CG 3.25Å; E212-K216 WeakPolarHBondContact O-CG 3.21Å; E212-K216 PolarHBondContact O-N 2.81Å; T213-K216 WeakPolarHBondContact O-CA 3.4Å; T213-K216 WeakPolarHBondContact O-CB 3.2Å; T213-K216 PolarHBondContact O-N 3.18Å; K216-T219 WeakPolarHBondContact CA-OG1 3.35Å; K216-T219 PolarHBondContact O-N 3.36Å; K216-T219 PolarHBondContact O-OG1 2.79Å; K216-L220 PolarHBondContact O-N 3.38Å
217	E	95.1	Very high	96	Very high	120 Å²	120	116.5 Å²	116.5	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-63.1	-44.9	177.1	-73.7	174.8	177.6	0	0	112	T213 T219 L220 H221	T213-E217 WeakPolarHBondContact O-CG 3.49Å; T213-E217 PolarHBondContact O-N 2.97Å; E217-T219 VanDerWaalsContact C-N 3.26Å; E217-T219 PolarHBondContact O-N 2.6Å; E217-L220 WeakPolarHBondContact O-CB 3.21Å; E217-L220 PolarHBondContact O-N 3.47Å; E217-H221 PolarHBondContact O-N 3.11Å
218	K	95.8	Very high	95.8	Very high	156 Å²	156	114.7 Å²	114.7	68%	0.678	53%	0.53	S	S	*	.	H	α-helix	trans	-58.9	-40.3	175.2	-174.3	178.6	179.7	179.5	0	111.3	A214 M215 R222	A214-K218 WeakPolarHBondContact O-CB 3.12Å; A214-K218 PolarHBondContact O-N 3.44Å; M215-K218 PolarHBondContact O-N 2.78Å; K218-R222 WeakPolarHBondContact O-CB 3.07Å; K218-R222 PolarHBondContact O-N 3.07Å
219	T	96.3	Very high	95.6	Very high	82 Å²	82	111.2 Å²	111.2	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-37	174.6	56.6	0	0	0	0	112.5	M215 K216 E217 R222 I223	M215-T219 WeakPolarHBondContact O-CG2 3.26Å; M215-T219 PolarHBondContact O-N 3.36Å; M215-T219 PolarHBondContact O-OG1 2.9Å; K216-T219 WeakPolarHBondContact CA-OG1 3.35Å; K216-T219 PolarHBondContact O-N 3.36Å; K216-T219 PolarHBondContact O-OG1 2.79Å; E217-T219 VanDerWaalsContact C-N 3.26Å; E217-T219 PolarHBondContact O-N 2.6Å; T219-R222 WeakPolarHBondContact O-CB 3.43Å; T219-R222 PolarHBondContact O-N 3.33Å; T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.25Å; T219-I223 VanDerWaalsContact O-N 3.13Å
220	L	96.3	Very high	95.4	Very high	90 Å²	90	110.6 Å²	110.6	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-67.7	-48	177.7	-175.4	146.3	0	0	0	111.9	K216 E217 R222 I223 E224	K216-L220 PolarHBondContact O-N 3.38Å; E217-L220 WeakPolarHBondContact O-CB 3.21Å; E217-L220 PolarHBondContact O-N 3.47Å; L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 3.29Å; L220-I223 WeakPolarHBondContact O-CB 3.22Å; L220-I223 PolarHBondContact O-N 2.83Å; L220-E224 VanDerWaalsContact CD2-CD 3.42Å; L220-E224 HydrophobicContact CD2-CG 4.12Å; L220-E224 WeakPolarHBondContact CD2-OE1 3.49Å; L220-E224 PolarHBondContact O-N 3.5Å
221	H	95.2	Very high	95.3	Very high	105 Å²	105	110.1 Å²	110.1	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-30.6	175.5	-75.5	-35.5	0	0	0	113.1	E217 E224 R225	E217-H221 PolarHBondContact O-N 3.11Å; H221-E224 IonicContact CE1-OE2 2.73Å; H221-E224 IonicContact ND1-OE2 3.69Å; H221-E224 PolarHBondContact ND1-OE2 3.22Å; H221-R225 VanDerWaalsContact O-CB 3.26Å; H221-R225 WeakPolarHBondContact O-CB 3.4Å; H221-R225 PolarHBondContact O-N 3.47Å
222	R	95.7	Very high	95	Very high	171 Å²	171	105.7 Å²	105.7	65%	0.645	51%	0.512	S	S	*	.	H	α-helix	trans	-60.5	-49.4	170.3	-173.2	178.3	-178.5	170.2	1.8	110.1	K218 T219 L220 E224 R225 D226	K218-R222 WeakPolarHBondContact O-CB 3.07Å; K218-R222 PolarHBondContact O-N 3.07Å; T219-R222 WeakPolarHBondContact O-CB 3.43Å; T219-R222 PolarHBondContact O-N 3.33Å; L220-R222 VanDerWaalsContact C-N 3.25Å; L220-R222 PolarHBondContact O-N 3.29Å; R222-E224 PolarHBondContact O-N 2.85Å; R222-R225 PolarHBondContact O-N 2.91Å; R222-D226 PolarHBondContact O-N 3.21Å
223	I	95.7	Very high	94.7	Very high	88 Å²	88	106 Å²	106	45%	0.451	51%	0.514	S	S	.	.	H	α-helix	trans	-63	-42.3	178.4	-64.9	163.1	0	0	0	112.1	T219 L220 D226 R227	T219-I223 WeakPolarHBondContact O-CG1 3.35Å; T219-I223 PolarHBondContact O-N 3.25Å; T219-I223 VanDerWaalsContact O-N 3.13Å; L220-I223 WeakPolarHBondContact O-CB 3.22Å; L220-I223 PolarHBondContact O-N 2.83Å; I223-D226 PolarHBondContact O-N 2.76Å; I223-R227 WeakPolarHBondContact O-CG 3.49Å; I223-R227 PolarHBondContact O-N 3.37Å
224	E	94.7	Very high	94.5	Very high	93 Å²	93	105 Å²	105	44%	0.435	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-43	178.2	-72.4	177.3	155.6	0	0	112.6	L220 H221 R222 D226 R227 A228	L220-E224 VanDerWaalsContact CD2-CD 3.42Å; L220-E224 HydrophobicContact CD2-CG 4.12Å; L220-E224 WeakPolarHBondContact CD2-OE1 3.49Å; L220-E224 PolarHBondContact O-N 3.5Å; H221-E224 IonicContact CE1-OE2 2.73Å; H221-E224 IonicContact ND1-OE2 3.69Å; H221-E224 PolarHBondContact ND1-OE2 3.22Å; R222-E224 PolarHBondContact O-N 2.85Å; E224-D226 VanDerWaalsContact C-N 3.32Å; E224-D226 PolarHBondContact O-N 2.79Å; E224-R227 WeakPolarHBondContact O-CB 3.5Å; E224-R227 PolarHBondContact O-N 2.81Å; E224-A228 PolarHBondContact O-N 2.79Å
225	R	94.2	Very high	94.3	Very high	147 Å²	147	108.5 Å²	108.5	56%	0.555	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-44.2	175.1	-171.6	-172.2	-68.6	97.8	-2	110.5	H221 R222 R227 A228 M229	H221-R225 VanDerWaalsContact O-CB 3.26Å; H221-R225 WeakPolarHBondContact O-CB 3.4Å; H221-R225 PolarHBondContact O-N 3.47Å; R222-R225 PolarHBondContact O-N 2.91Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.43Å; R225-A228 PolarHBondContact O-N 2.84Å; R225-M229 HydrophobicContact CG-CG 4.46Å; R225-M229 WeakPolarHBondContact O-CB 3.48Å; R225-M229 VanDerWaalsContact O-CG 3.29Å; R225-M229 WeakPolarHBondContact O-CG 3.32Å; R225-M229 PolarHBondContact O-N 3.48Å
226	D	94	Very high	93.8	Very high	78 Å²	78	110.6 Å²	110.6	42%	0.417	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-39.7	176.9	-65.3	-15.6	0	0	0	110.9	R222 I223 E224 M229 N230	R222-D226 PolarHBondContact O-N 3.21Å; I223-D226 PolarHBondContact O-N 2.76Å; E224-D226 VanDerWaalsContact C-N 3.32Å; E224-D226 PolarHBondContact O-N 2.79Å; D226-M229 PolarHBondContact O-N 2.93Å; D226-N230 WeakPolarHBondContact O-CB 3.42Å; D226-N230 PolarHBondContact O-N 2.95Å; D226-N230 PolarHBondContact O-ND2 2.89Å; D226-N230 PolarHBondContact O-OD1 3.43Å
227	R	95.1	Very high	93.4	Very high	162 Å²	162	109.6 Å²	109.6	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-46.3	173.2	-74.2	176.2	-175.8	164.8	1.3	113	I223 E224 R225 N230 Q231	I223-R227 WeakPolarHBondContact O-CG 3.49Å; I223-R227 PolarHBondContact O-N 3.37Å; E224-R227 WeakPolarHBondContact O-CB 3.5Å; E224-R227 PolarHBondContact O-N 2.81Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.43Å; R227-N230 PolarHBondContact O-N 3.47Å; R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å; R227-Q231 VanDerWaalsContact O-N 3.08Å
228	A	93.1	Very high	93	Very high	47 Å²	47	106.2 Å²	106.2	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-40.3	179.3	0	0	0	0	0	111.7	E224 R225 N230 Q231 V232	E224-A228 PolarHBondContact O-N 2.79Å; R225-A228 PolarHBondContact O-N 2.84Å; A228-N230 VanDerWaalsContact C-N 3.34Å; A228-Q231 WeakPolarHBondContact O-CB 3.38Å; A228-Q231 PolarHBondContact O-N 3.4Å; A228-V232 WeakPolarHBondContact O-CG2 3.2Å; A228-V232 PolarHBondContact O-N 2.95Å
229	M	92.8	Very high	92.4	Very high	110 Å²	110	104 Å²	104	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-59.9	-45.4	173.3	-74.2	-68.4	176	0	0	111.1	R225 D226 Q231 V232 E233	R225-M229 HydrophobicContact CG-CG 4.46Å; R225-M229 WeakPolarHBondContact O-CB 3.48Å; R225-M229 VanDerWaalsContact O-CG 3.29Å; R225-M229 WeakPolarHBondContact O-CG 3.32Å; R225-M229 PolarHBondContact O-N 3.48Å; D226-M229 PolarHBondContact O-N 2.93Å; M229-Q231 VanDerWaalsContact C-N 3.28Å; M229-Q231 PolarHBondContact O-N 3.06Å; M229-V232 PolarHBondContact O-N 2.8Å; M229-E233 VanDerWaalsContact O-CB 3.25Å; M229-E233 WeakPolarHBondContact O-CB 3.46Å; M229-E233 PolarHBondContact O-N 2.9Å
230	N	93.3	Very high	91.8	Very high	104 Å²	104	103.5 Å²	103.5	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-60	-35.8	175.5	-69.6	-16.4	0	0	0	112.5	D226 R227 A228 G234	D226-N230 WeakPolarHBondContact O-CB 3.42Å; D226-N230 PolarHBondContact O-N 2.95Å; D226-N230 PolarHBondContact O-ND2 2.89Å; D226-N230 PolarHBondContact O-OD1 3.43Å; R227-N230 PolarHBondContact O-N 3.47Å; A228-N230 VanDerWaalsContact C-N 3.34Å; N230-G234 PolarHBondContact O-N 2.9Å
231	Q	93.2	Very high	91.2	Very high	138 Å²	138	102.4 Å²	102.4	65%	0.645	51%	0.509	S	S	*	.	H	α-helix	trans	-69.5	-46.7	174.7	-72.3	177.2	-14	0	0	112.6	R227 A228 M229 E233 G234 L235	R227-Q231 WeakPolarHBondContact O-CG 3.47Å; R227-Q231 PolarHBondContact O-N 2.86Å; R227-Q231 VanDerWaalsContact O-N 3.08Å; A228-Q231 WeakPolarHBondContact O-CB 3.38Å; A228-Q231 PolarHBondContact O-N 3.4Å; M229-Q231 VanDerWaalsContact C-N 3.28Å; M229-Q231 PolarHBondContact O-N 3.06Å; Q231-E233 VanDerWaalsContact C-N 3.27Å; Q231-E233 PolarHBondContact O-N 3.27Å; Q231-G234 PolarHBondContact O-N 3.16Å; Q231-L235 WeakPolarHBondContact O-CG 3.19Å; Q231-L235 PolarHBondContact O-N 2.82Å
232	V	92	Very high	90.5	Very high	61 Å²	61	101.9 Å²	101.9	37%	0.37	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-41.5	177.2	170.2	0	0	0	0	110.3	A228 M229 L235 R236	A228-V232 WeakPolarHBondContact O-CG2 3.2Å; A228-V232 PolarHBondContact O-N 2.95Å; M229-V232 PolarHBondContact O-N 2.8Å; V232-L235 PolarHBondContact O-N 2.89Å; V232-R236 HydrophobicContact CG1-CG 4.47Å; V232-R236 WeakPolarHBondContact O-CB 3.22Å; V232-R236 WeakPolarHBondContact O-CG 3.37Å; V232-R236 PolarHBondContact O-N 3.02Å
233	E	90.8	Very high	89.6	Confident	106 Å²	106	100.7 Å²	100.7	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-45.6	174.9	-166.5	162.5	-151.7	0	0	110.5	M229 Q231 L235 R236 H237	M229-E233 VanDerWaalsContact O-CB 3.25Å; M229-E233 WeakPolarHBondContact O-CB 3.46Å; M229-E233 PolarHBondContact O-N 2.9Å; Q231-E233 VanDerWaalsContact C-N 3.27Å; Q231-E233 PolarHBondContact O-N 3.27Å; E233-L235 PolarHBondContact O-N 2.8Å; E233-R236 PolarHBondContact O-N 3.14Å; E233-H237 PolarHBondContact O-N 3.48Å; E233-H237 PolarHBondContact O-ND1 2.87Å
234	G	91.7	Very high	88.7	Confident	42 Å²	42	105.4 Å²	105.4	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-56.1	-44.1	172.1	0	0	0	0	0	113.9	N230 Q231 H237 A238	N230-G234 PolarHBondContact O-N 2.9Å; Q231-G234 PolarHBondContact O-N 3.16Å; G234-H237 PolarHBondContact O-N 2.9Å; G234-A238 PolarHBondContact O-N 2.8Å
235	L	91.3	Very high	87.7	Confident	123 Å²	123	107.4 Å²	107.4	64%	0.644	54%	0.542	S	S	*	.	H	α-helix	trans	-68.6	-38.2	176.8	-72.2	174.6	0	0	0	112.7	Q231 V232 E233 H237 A238 L239	Q231-L235 WeakPolarHBondContact O-CG 3.19Å; Q231-L235 PolarHBondContact O-N 2.82Å; V232-L235 PolarHBondContact O-N 2.89Å; E233-L235 PolarHBondContact O-N 2.8Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 2.73Å; L235-A238 CarbonylContact O-C 3.51Å; L235-A238 WeakPolarHBondContact O-CB 3.23Å; L235-A238 PolarHBondContact O-N 2.88Å; L235-A238 VanDerWaalsContact O-N 3.15Å; L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 PolarHBondContact O-N 3.39Å
236	R	87	Confident	85.7	Confident	166 Å²	166	103.2 Å²	103.2	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-62	-41.4	173.5	-78.8	176.6	172.9	149.7	-0.6	111.4	V232 E233 A238 L239 T240	V232-R236 HydrophobicContact CG1-CG 4.47Å; V232-R236 WeakPolarHBondContact O-CB 3.22Å; V232-R236 WeakPolarHBondContact O-CG 3.37Å; V232-R236 PolarHBondContact O-N 3.02Å; E233-R236 PolarHBondContact O-N 3.14Å; R236-A238 VanDerWaalsContact C-N 3.31Å; R236-A238 PolarHBondContact O-N 2.85Å; R236-L239 PolarHBondContact O-N 3.41Å; R236-T240 WeakPolarHBondContact O-CB 3.47Å; R236-T240 WeakPolarHBondContact O-CG2 3.49Å; R236-T240 PolarHBondContact O-N 2.8Å; R236-T240 PolarHBondContact O-OG1 3.47Å
237	H	87.7	Confident	83.7	Confident	113 Å²	113	105.8 Å²	105.8	52%	0.523	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-37.5	173	-73.2	86.9	0	0	0	111.5	E233 G234 L235 T240 S241	E233-H237 PolarHBondContact O-N 3.48Å; E233-H237 PolarHBondContact O-ND1 2.87Å; G234-H237 PolarHBondContact O-N 2.9Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 2.73Å; H237-T240 WeakPolarHBondContact CA-OG1 3.4Å; H237-T240 PolarHBondContact O-OG1 3.22Å; H237-S241 WeakPolarHBondContact O-CB 3.28Å; H237-S241 PolarHBondContact O-N 3.25Å; H237-S241 VanDerWaalsContact O-N 3.1Å; H237-S241 PolarHBondContact O-OG 3.23Å
238	A	87.7	Confident	81.2	Confident	48 Å²	48	103.8 Å²	103.8	40%	0.397	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-46.3	174.1	0	0	0	0	0	112.8	G234 L235 R236 T240 S241 L242	G234-A238 PolarHBondContact O-N 2.8Å; L235-A238 CarbonylContact O-C 3.51Å; L235-A238 WeakPolarHBondContact O-CB 3.23Å; L235-A238 PolarHBondContact O-N 2.88Å; L235-A238 VanDerWaalsContact O-N 3.15Å; R236-A238 VanDerWaalsContact C-N 3.31Å; R236-A238 PolarHBondContact O-N 2.85Å; A238-T240 PolarHBondContact O-N 3.11Å; A238-S241 WeakPolarHBondContact O-CB 3.48Å; A238-S241 PolarHBondContact O-N 3.33Å; A238-S241 VanDerWaalsContact O-N 3.15Å; A238-L242 WeakPolarHBondContact O-CG 3.22Å; A238-L242 PolarHBondContact O-N 2.96Å
239	L	83.4	Confident	79.1	Confident	111 Å²	111	106.5 Å²	106.5	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-61.5	-45.3	178.2	-170.1	92.2	0	0	0	111.3	L235 R236 S241 L242 Q243	L235-L239 WeakPolarHBondContact O-CB 3.35Å; L235-L239 PolarHBondContact O-N 3.39Å; R236-L239 PolarHBondContact O-N 3.41Å; L239-S241 PolarHBondContact O-N 2.66Å; L239-L242 PolarHBondContact O-N 2.7Å; L239-Q243 WeakPolarHBondContact O-CB 3.47Å; L239-Q243 PolarHBondContact O-N 3.15Å
240	T	83.8	Confident	76.4	Confident	70 Å²	70	108.4 Å²	108.4	43%	0.429	59%	0.591	S	S	.	*	H	α-helix	trans	-64.3	-31.1	176.1	47.8	0	0	0	0	112.2	R236 H237 A238 K244	R236-T240 WeakPolarHBondContact O-CB 3.47Å; R236-T240 WeakPolarHBondContact O-CG2 3.49Å; R236-T240 PolarHBondContact O-N 2.8Å; R236-T240 PolarHBondContact O-OG1 3.47Å; H237-T240 WeakPolarHBondContact CA-OG1 3.4Å; H237-T240 PolarHBondContact O-OG1 3.22Å; A238-T240 PolarHBondContact O-N 3.11Å; T240-K244 WeakPolarHBondContact O-CG 3.41Å; T240-K244 PolarHBondContact O-N 3.2Å; T240-K244 VanDerWaalsContact O-N 3.14Å
241	S	83	Confident	73.8	Confident	67 Å²	67	111.3 Å²	111.3	47%	0.469	61%	0.606	S	S	.	*	H	α-helix	trans	-70	-40.8	171.9	-56.8	0	0	0	0	112.2	H237 A238 L239 K244 L245	H237-S241 WeakPolarHBondContact O-CB 3.28Å; H237-S241 PolarHBondContact O-N 3.25Å; H237-S241 VanDerWaalsContact O-N 3.1Å; H237-S241 PolarHBondContact O-OG 3.23Å; A238-S241 WeakPolarHBondContact O-CB 3.48Å; A238-S241 PolarHBondContact O-N 3.33Å; A238-S241 VanDerWaalsContact O-N 3.15Å; L239-S241 PolarHBondContact O-N 2.66Å; S241-K244 PolarHBondContact O-N 2.9Å; S241-L245 WeakPolarHBondContact O-CG 3.42Å; S241-L245 PolarHBondContact O-N 2.82Å
242	L	79.5	Confident	71.4	Confident	94 Å²	94	108.6 Å²	108.6	49%	0.492	61%	0.607	S	S	.	*	H	α-helix	trans	-68.4	-39.4	175.4	-71.8	172.2	0	0	0	112.4	A238 L239 K244 L245 G246	A238-L242 WeakPolarHBondContact O-CG 3.22Å; A238-L242 PolarHBondContact O-N 2.96Å; L239-L242 PolarHBondContact O-N 2.7Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.07Å; L242-L245 CarbonylContact O-C 3.53Å; L242-L245 WeakPolarHBondContact O-CA 3.31Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 3.02Å; L242-G246 PolarHBondContact O-N 2.97Å
243	Q	77.1	Confident	68.8	Low	146 Å²	146	113 Å²	113	68%	0.682	63%	0.629	S	S	*	*	H	α-helix	trans	-65.1	-35.3	176.3	-171.3	168	-1.7	0	0	111.4	L239 L245 G246	L239-Q243 WeakPolarHBondContact O-CB 3.47Å; L239-Q243 PolarHBondContact O-N 3.15Å; Q243-L245 PolarHBondContact O-N 3.48Å; Q243-G246 PolarHBondContact O-N 3.01Å
244	K	77.3	Confident	66.2	Low	188 Å²	188	115.5 Å²	115.5	82%	0.817	65%	0.646	S	S	*	*	H	α-helix	trans	-64.6	-21.3	169.4	-79.4	177.7	-179.3	178.5	0	113.5	T240 S241 L242	T240-K244 WeakPolarHBondContact O-CG 3.41Å; T240-K244 PolarHBondContact O-N 3.2Å; T240-K244 VanDerWaalsContact O-N 3.14Å; S241-K244 PolarHBondContact O-N 2.9Å; L242-K244 VanDerWaalsContact C-N 3.29Å; L242-K244 PolarHBondContact O-N 3.07Å
245	L	73.5	Confident	63.6	Low	135 Å²	135	120.6 Å²	120.6	71%	0.707	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	4.7	177.5	-70.3	166.1	0	0	0	113.7	S241 L242 Q243	S241-L245 WeakPolarHBondContact O-CG 3.42Å; S241-L245 PolarHBondContact O-N 2.82Å; L242-L245 CarbonylContact O-C 3.53Å; L242-L245 WeakPolarHBondContact O-CA 3.31Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 3.02Å; Q243-L245 PolarHBondContact O-N 3.48Å
246	G	53.3	Low	60.8	Low	58 Å²	58	122.9 Å²	122.9	60%	0.598	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.3	24.8	164.7	0	0	0	0	0	116.4	L242 Q243 T248	L242-G246 PolarHBondContact O-N 2.97Å; Q243-G246 PolarHBondContact O-N 3.01Å; G246-T248 PolarHBondContact O-N 2.97Å
247	I	51.4	Low	58.3	Low	132 Å²	132	122 Å²	122	68%	0.677	68%	0.676	S	S	*	*			trans	-85.2	95.1	172.1	-54.1	173.1	0	0	0	108.4
248	T	42.1	Very low	55.8	Low	121 Å²	121	123.1 Å²	123.1	74%	0.742	69%	0.691	S	S	*	*			trans	-96	100.6	167.4	53.2	0	0	0	0	108.4	G246 D250	G246-T248 PolarHBondContact O-N 2.97Å; T248-D250 PolarHBondContact O-N 3.42Å
249	S	48.1	Very low	53.1	Low	103 Å²	103	127.9 Å²	127.9	72%	0.72	71%	0.71	S	S	*	*			trans	-82.9	100.1	163.9	54.2	0	0	0	0	108.3	D251	S249-D251 VanDerWaalsContact C-N 3.26Å; S249-D251 PolarHBondContact O-N 3.12Å
250	D	37.2	Very low	51	Low	151 Å²	151	130.6 Å²	130.6	81%	0.807	72%	0.724	S	S	*	*			trans	-68.1	85.6	160.5	-78.4	-30.4	0	0	0	108.2	T248	T248-D250 PolarHBondContact O-N 3.42Å
251	D	39.5	Very low	48.3	Very low	164 Å²	164	134.7 Å²	134.7	88%	0.877	74%	0.743	S	S	*	*			trans	-153.5	68.1	162.2	-90.5	-28.7	0	0	0	106.8	S249	S249-D251 VanDerWaalsContact C-N 3.26Å; S249-D251 PolarHBondContact O-N 3.12Å
252	A	42.2	Very low	45.9	Very low	81 Å²	81	137.9 Å²	137.9	67%	0.669	76%	0.761	S	S	*	*			trans	-117.8	13.4	179.1	0	0	0	0	0	113
253	N	36.9	Very low	43.5	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	78%	0.775	S	S	*	*			trans	-119.9	75.2	177.5	-72.5	-18.1	0	0	0	110.1
254	D	36.7	Very low	41.2	Very low	159 Å²	159	143 Å²	143	85%	0.85	78%	0.783	S	S	*	*			trans	-156.6	65.3	152.6	-88	-24.6	0	0	0	107.1
255	I	36.3	Very low	38.8	Very low	149 Å²	149	140 Å²	140	76%	0.764	78%	0.775	S	S	*	*			trans	-109.1	75.9	162.6	-56.9	175.4	0	0	0	105	N257	I255-N257 PolarHBondContact O-N 2.8Å
256	E	33.3	Very low	36.7	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.804	78%	0.782	S	S	*	*			trans	-65.8	122.1	160.4	-81.6	-169.4	154.7	0	0	107.9	V258	E256-V258 PolarHBondContact O-N 2.98Å
257	N	34.4	Very low	35.5	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	79%	0.79	S	S	*	*			trans	-52.9	101.3	169.5	-73.4	-48.3	0	0	0	109.4	I255 D259	I255-N257 PolarHBondContact O-N 2.8Å; N257-D259 PolarHBondContact O-N 3.18Å
258	V	35.2	Very low	34.2	Very low	137 Å²	137	151.9 Å²	151.9	83%	0.83	80%	0.797	S	S	*	*			trans	-77.6	101.7	166.8	178.4	0	0	0	0	107.1	E256 L260	E256-V258 PolarHBondContact O-N 2.98Å; V258-L260 PolarHBondContact O-N 3.5Å
259	D	31.8	Very low	33.5	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	80%	0.801	S	S	*	*			trans	-47.9	123.5	175.7	-81.6	-37.8	0	0	0	111.9	N257 D261	N257-D259 PolarHBondContact O-N 3.18Å; D259-D261 VanDerWaalsContact C-N 3.34Å; D259-D261 PolarHBondContact O-N 3.32Å
260	L	38.3	Very low	32.3	Very low	168 Å²	168	155.9 Å²	155.9	88%	0.88	80%	0.8	S	S	*	*	S	Bend	trans	-66.9	86.9	166	-77.3	126.9	0	0	0	109	V258	V258-L260 PolarHBondContact O-N 3.5Å
261	D	27.7	Very low	31.9	Very low	155 Å²	155	155.5 Å²	155.5	83%	0.829	80%	0.798	S	S	*	*			trans	-166.1	70	160.7	-99.1	-22.4	0	0	0	113.2	D259	D259-D261 VanDerWaalsContact C-N 3.34Å; D259-D261 PolarHBondContact O-N 3.32Å
262	T	31.4	Very low	31.2	Very low	135 Å²	135	153.5 Å²	153.5	83%	0.828	79%	0.792	S	S	*	*	S	Bend	trans	-141.9	97.4	152.7	56.2	0	0	0	0	112.3
263	K	29	Very low	30.3	Very low	184 Å²	184	155 Å²	155	80%	0.8	79%	0.792	S	S	*	*			trans	44.3	97.6	138.7	-70.3	172.6	178.4	171.3	0	116.4	N265	K263-N265 PolarHBondContact O-N 2.98Å
264	I	29.4	Very low	30	Very low	164 Å²	164	156.4 Å²	156.4	84%	0.841	80%	0.798	S	S	*	*			trans	-51.7	89.5	148.8	-60.6	167.1	0	0	0	107.7	E266	I264-E266 PolarHBondContact O-N 3.31Å
265	N	26.8	Very low	29.4	Very low	123 Å²	123	158.1 Å²	158.1	66%	0.658	79%	0.793	S	S	*	*			trans	-85.2	98.3	163.1	-99.1	-25.5	0	0	0	106.5	K263 K267	K263-N265 PolarHBondContact O-N 2.98Å; N265-K267 PolarHBondContact O-N 3.09Å
266	E	28.7	Very low	28.8	Very low	183 Å²	183	158 Å²	158	86%	0.855	79%	0.789	S	S	*	*			trans	-52	91.9	153.6	-69.9	-177.1	150.6	0	0	108.8	I264	I264-E266 PolarHBondContact O-N 3.31Å
267	K	28.2	Very low	28.3	Very low	174 Å²	174	156.6 Å²	156.6	76%	0.757	79%	0.787	S	S	*	*			trans	-126.2	96.1	161.9	-78.7	-170.4	177.3	179.9	0	108.5	N265	N265-K267 PolarHBondContact O-N 3.09Å
268	R	24.7	Very low	28	Very low	218 Å²	218	159.7 Å²	159.7	82%	0.823	79%	0.793	S	S	*	*			trans	35.8	102.5	136.7	-71.8	-178.7	176	177.6	-0.7	114.6	E270	R268-E270 PolarHBondContact O-N 3.49Å
269	L	27.3	Very low	27.4	Very low	159 Å²	159	162.1 Å²	162.1	83%	0.832	79%	0.793	S	S	*	*			trans	-52.6	88.7	142.6	-104.9	84.2	0	0	0	108.7
270	E	23.9	Very low	26.9	Very low	150 Å²	150	163.5 Å²	163.5	70%	0.701	80%	0.795	S	S	*	*			trans	-89.7	99.1	150.4	-80.1	-178.9	-169.3	0	0	106.4	R268 T272	R268-E270 PolarHBondContact O-N 3.49Å; E270-T272 PolarHBondContact O-N 3.02Å
271	N	28.9	Very low	26.3	Very low	142 Å²	142	160.6 Å²	160.6	76%	0.759	80%	0.795	S	S	*	*			trans	-58.2	103.1	172.4	-73.7	-24.2	0	0	0	108.9	T273	N271-T273 PolarHBondContact O-N 3.41Å
272	T	24.6	Very low	26.1	Very low	123 Å²	123	160.1 Å²	160.1	76%	0.755	79%	0.792	S	S	*	*			trans	-76	114.1	169.7	32.6	0	0	0	0	109.2	E270	E270-T272 PolarHBondContact O-N 3.02Å
273	T	22.6	Very low	25.9	Very low	111 Å²	111	161.5 Å²	161.5	68%	0.681	79%	0.789	S	S	*	*			trans	58.4	86.9	134.7	58.7	0	0	0	0	118.3	N271 R275	N271-T273 PolarHBondContact O-N 3.41Å; T273-R275 PolarHBondContact O-N 2.88Å
274	I	30.7	Very low	25.6	Very low	183 Å²	183	162 Å²	162	94%	0.938	79%	0.792	S	S	*	*			trans	-72.6	105	139.8	-63.7	177.1	0	0	0	107.4
275	R	23.8	Very low	25.3	Very low	196 Å²	196	161 Å²	161	74%	0.74	80%	0.797	S	S	*	*			trans	-59.3	140	171.5	-81	178.3	170.8	-179.6	-2.3	112	T273	T273-R275 PolarHBondContact O-N 2.88Å
276	Q	23.8	Very low	25.1	Very low	147 Å²	147	164.5 Å²	164.5	69%	0.687	81%	0.807	S	S	*	*			trans	80.6	126.9	130.2	-73.9	175.2	-6.9	0	0	120.9
277	N	23.4	Very low	24.9	Very low	141 Å²	141	164.4 Å²	164.4	75%	0.754	80%	0.803	S	S	*	*			trans	90.2	98.3	143.6	-58.4	-15.3	0	0	0	118
278	K	28	Very low	24.7	Very low	211 Å²	211	163.6 Å²	163.6	92%	0.917	81%	0.807	S	S	*	*				-161.6	111.1	105.6	-101.2	167.1	-175.6	-177.8	0	110.8
279	K	21.9	Very low	24.6	Very low	188 Å²	188	162.7 Å²	162.7	82%	0.817	81%	0.81	S	S	*	*			trans	-72.9	160.1	159.9	-75.6	-178.8	170.6	-177.8	0	109.3
280	E	22.5	Very low	24.5	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	81%	0.805	S	S	*	*			trans	78.3	98	157.6	-70.5	160.1	-149.3	0	0	118.3
281	A	26.3	Very low	24.4	Very low	106 Å²	106	163.1 Å²	163.1	88%	0.876	81%	0.812	S	S	*	*				-158.9	105.2	126.3	0	0	0	0	0	109.3
282	D	23.2	Very low	24.3	Very low	145 Å²	145	161 Å²	161	78%	0.775	81%	0.808	S	S	*	*			trans	-56.2	149.1	168.5	-90	-47.5	0	0	0	113.4
283	Q	26.2	Very low	24.3	Very low	164 Å²	164	163.4 Å²	163.4	77%	0.766	81%	0.811	S	S	*	*			trans	31	105.5	138.8	-59	179.8	4.5	0	0	118.5
284	K	23.1	Very low	24.4	Very low	196 Å²	196	167.2 Å²	167.2	85%	0.852	82%	0.818	S	S	*	*				152.6	103.5	123.9	-86.2	169.4	-179.3	172.8	0	109.9
285	C	23.2	Very low	24.2	Very low	143 Å²	143	163 Å²	163	97%	0.966	81%	0.805	S	S	*	*			trans	-147	70.2	146.6	-98.5	0	0	0	0	108.8
286	K	23.3	Very low	24.7	Very low	195 Å²	195	158.8 Å²	158.8	85%	0.848	80%	0.797	S	S	*	*			trans	-86.5	130.2	152.8	-88.7	-178	176.2	175.1	0	107.3
287	K	22.5	Very low	25	Very low	182 Å²	182	157.2 Å²	157.2	79%	0.791	80%	0.798	S	S	*	*			trans	65.4	104.7	159.3	-61.1	-179.6	177.9	-178	0	116.2
288	N	24.6	Very low	25.4	Very low	157 Å²	157	157.9 Å²	157.9	84%	0.84	80%	0.797	S	S	*	*			trans	-137.9	88	132.5	-88.1	-25	0	0	0	108.3	V290	N288-V290 PolarHBondContact O-N 3.35Å; N288-V290 VanDerWaalsContact O-N 3.17Å
289	F	22.3	Very low	25.6	Very low	198 Å²	198	152.3 Å²	152.3	87%	0.868	78%	0.777	S	S	*	*			trans	-60.3	102.7	153.2	-107.5	-98.6	0	0	0	106.7
290	V	25.4	Very low	26.1	Very low	120 Å²	120	150.2 Å²	150.2	73%	0.727	77%	0.768	S	S	*	*			trans	-104.8	107.9	162.1	177.9	0	0	0	0	106.9	N288 S292	N288-V290 PolarHBondContact O-N 3.35Å; N288-V290 VanDerWaalsContact O-N 3.17Å; V290-S292 PolarHBondContact O-N 2.93Å
291	K	22.1	Very low	26.6	Very low	198 Å²	198	147.4 Å²	147.4	86%	0.861	76%	0.758	S	S	*	*			trans	-63	122.5	166.7	-68.3	171	174.1	176.9	0	108.2
292	S	27.1	Very low	26.8	Very low	97 Å²	97	151.6 Å²	151.6	68%	0.678	75%	0.751	S	S	*	*			trans	-152.3	104.3	154.1	57.8	0	0	0	0	110	V290	V290-S292 PolarHBondContact O-N 2.93Å
293	E	24.7	Very low	27.1	Very low	174 Å²	174	149 Å²	149	81%	0.813	74%	0.737	S	S	*	*			trans	58.9	98.8	138	-57.1	-172	155.7	0	0	118.5
294	K	25.4	Very low	27.2	Very low	192 Å²	192	148 Å²	148	84%	0.835	74%	0.737	S	S	*	*				76	102.5	94.5	-79.2	-176.2	179.5	177.7	0	114.4
295	S	24.9	Very low	27.7	Very low	95 Å²	95	144 Å²	144	66%	0.664	72%	0.724	S	S	*	*				32.3	110.1	129.3	58.8	0	0	0	0	118.3
296	N	34	Very low	28.3	Very low	106 Å²	106	145 Å²	145	57%	0.567	71%	0.712	S	S	*	*			trans	179	21	134.1	-95.4	-14	0	0	0	116.5
297	T	30	Very low	28.4	Very low	114 Å²	114	146.6 Å²	146.6	70%	0.699	71%	0.713	S	S	*	*	S	Bend	trans	-96.9	-30.9	176.4	50.2	0	0	0	0	113.9	L301	T297-L301 PolarHBondContact O-N 2.7Å
298	Q	32.8	Very low	28.9	Very low	156 Å²	156	143.4 Å²	143.4	73%	0.729	71%	0.705	S	S	*	*	H	α-helix	trans	-77.3	-32.4	-179.9	-75.8	-172.6	-24.5	0	0	113.8	K300 L301 R302	Q298-K300 VanDerWaalsContact C-N 3.35Å; Q298-L301 PolarHBondContact O-N 3.27Å; Q298-R302 PolarHBondContact O-N 2.85Å; Q298-R302 VanDerWaalsContact O-N 3.13Å
299	D	32.9	Very low	29.7	Very low	93 Å²	93	144.8 Å²	144.8	50%	0.497	71%	0.706	S	S	.	*	H	α-helix	trans	-73.5	-26.9	176.9	-70.3	-27.9	0	0	0	112.9	R302 N303	D299-R302 PolarHBondContact O-N 3.38Å; D299-N303 WeakPolarHBondContact O-CB 3.31Å; D299-N303 PolarHBondContact O-N 3.39Å
300	K	32.4	Very low	30.8	Very low	145 Å²	145	139.9 Å²	139.9	63%	0.63	68%	0.684	S	S	*	*	H	α-helix	trans	-69.5	-35.1	172.3	-73.2	-176	177.9	-178.1	0	112.2	Q298 N304	Q298-K300 VanDerWaalsContact C-N 3.35Å; K300-N304 PolarHBondContact O-N 3.36Å; K300-N304 PolarHBondContact O-ND2 3.3Å
301	L	32.8	Very low	32.2	Very low	120 Å²	120	134.4 Å²	134.4	63%	0.628	65%	0.651	S	S	*	*	H	α-helix	trans	-71.8	-36.3	174.7	-78.3	161.5	0	0	0	111.9	T297 Q298	T297-L301 PolarHBondContact O-N 2.7Å; Q298-L301 PolarHBondContact O-N 3.27Å
302	R	29.6	Very low	33.9	Very low	193 Å²	193	130.5 Å²	130.5	73%	0.728	64%	0.64	S	S	*	*	H	α-helix	trans	-72.1	-33.4	176.1	-83.8	-176.4	168.1	-172.3	-4.1	113.9	Q298 D299	Q298-R302 PolarHBondContact O-N 2.85Å; Q298-R302 VanDerWaalsContact O-N 3.13Å; D299-R302 PolarHBondContact O-N 3.38Å
303	N	28.8	Very low	35.6	Very low	92 Å²	92	126 Å²	126	49%	0.492	61%	0.608	S	S	.	*	H	α-helix	trans	-76.5	-24.8	178.1	-77.9	-26	0	0	0	113.6	D299 L305 K306	D299-N303 WeakPolarHBondContact O-CB 3.31Å; D299-N303 PolarHBondContact O-N 3.39Å; N303-L305 VanDerWaalsContact C-N 3.33Å; N303-K306 WeakPolarHBondContact O-CB 3.48Å; N303-K306 PolarHBondContact O-N 3.43Å; N303-K306 WeakPolarHBondContact OD1-CE 3.4Å; N303-K306 PolarHBondContact OD1-NZ 3.18Å
304	N	29	Very low	37.4	Very low	141 Å²	141	120.3 Å²	120.3	75%	0.754	59%	0.588	S	S	*	*	H	α-helix	trans	-79.7	-11.8	176.1	-75.9	-18.1	0	0	0	114.1	K300 K306	K300-N304 PolarHBondContact O-N 3.36Å; K300-N304 PolarHBondContact O-ND2 3.3Å; N304-K306 VanDerWaalsContact C-N 3.29Å
305	L	34.3	Very low	39.1	Very low	114 Å²	114	117.2 Å²	117.2	60%	0.597	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	3.5	172.1	-80.8	152.2	0	0	0	113.2	N303 R307	N303-L305 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.16Å
306	K	34.7	Very low	40.7	Very low	163 Å²	163	115.7 Å²	115.7	71%	0.709	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	20.2	179.4	-72.4	-171.5	176.1	179.7	0	115.1	N303 N304	N303-K306 WeakPolarHBondContact O-CB 3.48Å; N303-K306 PolarHBondContact O-N 3.43Å; N303-K306 WeakPolarHBondContact OD1-CE 3.4Å; N303-K306 PolarHBondContact OD1-NZ 3.18Å; N304-K306 VanDerWaalsContact C-N 3.29Å
307	R	27.2	Very low	41.7	Very low	229 Å²	229	116.9 Å²	116.9	86%	0.864	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	13.6	-176.6	-96.6	-174	179	157.3	-0.5	117.9	L305	L305-R307 PolarHBondContact O-N 3.16Å
308	N	32.8	Very low	43	Very low	115 Å²	115	119.9 Å²	119.9	62%	0.615	57%	0.574	S	S	*	*			trans	-104.5	104.7	170.6	-71	5.9	0	0	0	109.8	F310	N308-F310 PolarHBondContact O-N 3.44Å
309	E	39.7	Very low	44.2	Very low	186 Å²	186	117.1 Å²	117.1	87%	0.869	57%	0.568	S	S	*	*			trans	-73.5	30.2	171.6	-65.5	-174.6	156	0	0	112.9
310	F	45.5	Very low	45.7	Very low	94 Å²	94	113 Å²	113	41%	0.412	55%	0.546	S	S	.	.	S	Bend	trans	-104.5	149.9	175.1	-90.4	-84.1	0	0	0	111.6	N308 D312 R533	N308-F310 PolarHBondContact O-N 3.44Å; F310-D312 PolarHBondContact O-N 3.18Å; F310-D312 VanDerWaalsContact O-N 3.09Å; F310-R533 WeakPolarHBondContact CD1-O 3.26Å
311	C	54.7	Low	47.3	Very low	5 Å²	5	109 Å²	109	3%	0.034	54%	0.535	C	S	.	.			trans	-64.6	107.3	168.8	-66.8	0	0	0	0	109	L313 Y458 C496	C311-L313 HydrophobicContact CB-CD1 3.34Å; C311-L313 PolarHBondContact O-N 3.38Å; C311-Y458 HydrophobicContact CB-CE1 3.84Å; C311-C496 WeakPolarHBondContact SG-CB 3.46Å
312	D	58.5	Low	48.9	Very low	116 Å²	116	105.8 Å²	105.8	62%	0.62	52%	0.518	S	S	*	.			trans	-77.6	75.4	169.6	-167.4	18.6	0	0	0	108.3	F310 Y458 R533	F310-D312 PolarHBondContact O-N 3.18Å; F310-D312 VanDerWaalsContact O-N 3.09Å; D312-Y458 PolarHBondContact N-OH 3.13Å; D312-Y458 VanDerWaalsContact N-OH 3.1Å; D312-Y458 WeakPolarHBondContact O-CE2 3.26Å; D312-Y458 PolarHBondContact O-OH 2.83Å; D312-R533 IonicContact OD1-NH2 2.67Å
313	L	62.8	Low	50.5	Low	2 Å²	2	98.4 Å²	98.4	1%	0.01	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-66.9	151	170.5	-71.3	83.9	0	0	0	108.4	C311 Y458 F511 N516 G532 R533	C311-L313 HydrophobicContact CB-CD1 3.34Å; C311-L313 PolarHBondContact O-N 3.38Å; L313-Y458 HydrophobicContact CB-CE2 4.43Å; L313-Y458 HydrophobicContact CG-CD2 3.99Å; L313-Y458 HydrophobicContact CG-CE2 4.01Å; L313-F511 HydrophobicContact CD2-CE1 4.28Å; L313-N516 VanDerWaalsContact CB-OD1 3.25Å; L313-N516 WeakPolarHBondContact CB-OD1 3.2Å; L313-N516 HydrophobicContact CD2-CB 3.96Å; L313-N516 VanDerWaalsContact CD2-OD1 3.31Å; L313-N516 WeakPolarHBondContact CD2-OD1 3.11Å; L313-G532 WeakPolarHBondContact CD1-O 3.3Å; L313-R533 HydrophobicContact CB-CG 4.24Å; L313-R533 HydrophobicContact CD1-CG 4.32Å; L313-R533 VanDerWaalsContact O-CZ 3.26Å; L313-R533 PolarHBondContact O-NH1 3.29Å; L313-R533 PolarHBondContact O-NH2 2.71Å; L313-R533 VanDerWaalsContact O-NH2 3.14Å
314	S	62.4	Low	52	Low	55 Å²	55	96.8 Å²	96.8	39%	0.385	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-68.9	164.4	-179.9	-56.1	0	0	0	0	112.2	D316 N516 R533	S314-D316 PolarHBondContact O-N 2.9Å; S314-N516 PolarHBondContact O-ND2 2.93Å; S314-R533 PolarHBondContact O-NH1 2.91Å; S314-R533 VanDerWaalsContact O-NH1 3.1Å
315	V	62	Low	53.5	Low	127 Å²	127	94.2 Å²	94.2	77%	0.77	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-62.8	132.8	173.5	-179.3	0	0	0	0	109.6
316	D	56.9	Low	54.5	Low	64 Å²	64	91.9 Å²	91.9	34%	0.342	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-57.8	135.3	179.1	-68.9	-24.5	0	0	0	111	S314 K318 G515 N516	S314-D316 PolarHBondContact O-N 2.9Å; D316-K318 PolarHBondContact O-N 3.24Å; D316-G515 VanDerWaalsContact OD1-CA 3.28Å; D316-G515 WeakPolarHBondContact OD1-CA 3.46Å; D316-N516 PolarHBondContact OD1-N 2.94Å; D316-N516 PolarHBondContact OD1-ND2 3.45Å
317	H	56.2	Low	55.3	Low	131 Å²	131	89.4 Å²	89.4	61%	0.606	46%	0.461	S	S	*	.			trans	-75	-8.2	175	-123.7	66.9	0	0	0	112.3	V319 Y514	H317-V319 PolarHBondContact O-N 2.81Å; H317-Y514 PolarHBondContact N-O 3.36Å
318	K	56.5	Low	56.2	Low	177 Å²	177	84.1 Å²	84.1	77%	0.77	45%	0.449	S	S	*	.	S	Bend	trans	60.9	-36.8	-177	-60.5	-176.1	177.7	-174	0	115.3	D316	D316-K318 PolarHBondContact O-N 3.24Å
319	V	59.3	Low	56.5	Low	98 Å²	98	86.4 Å²	86.4	59%	0.594	46%	0.456	S	S	*	.	S	Bend	trans	-122.7	131.5	179.4	-175.4	0	0	0	0	109.3	H317 P321	H317-V319 PolarHBondContact O-N 2.81Å; V319-P321 VanDerWaalsContact O-CD 3.28Å; V319-P321 WeakPolarHBondContact O-CD 3.45Å
320	N	64.3	Low	56.5	Low	7 Å²	7	82 Å²	82	4%	0.037	45%	0.446	C	S	.	.			trans	-67.9	115.2	174.8	179.2	-7.3	0	0	0	110	L322 L323 Y514 Q555	N320-L322 PolarHBondContact O-N 3.26Å; N320-L322 VanDerWaalsContact OD1-CB 3.28Å; N320-L322 WeakPolarHBondContact OD1-CB 3.47Å; N320-L322 PolarHBondContact OD1-N 3.41Å; N320-L323 HydrophobicContact CB-CD1 3.83Å; N320-L323 HydrophobicContact CB-CG 4.02Å; N320-L323 WeakPolarHBondContact O-CB 3.35Å; N320-L323 PolarHBondContact O-N 3.04Å; N320-L323 VanDerWaalsContact O-N 3.08Å; N320-Y514 HydrophobicContact CB-CD2 3.96Å; N320-Y514 HydrophobicContact CB-CE2 4.45Å; N320-Y514 WeakPolarHBondContact OD1-CD2 3.3Å; N320-Y514 WeakPolarHBondContact OD1-CE2 3.39Å; N320-Q555 WeakPolarHBondContact CB-O 3.37Å; N320-Q555 PolarHBondContact ND2-O 2.89Å; N320-Q555 PolarHBondContact ND2-OE1 3.35Å
321	P	65.4	Low	56.5	Low	60 Å²	60	82.5 Å²	82.5	39%	0.39	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.8	179.8	26.5	-36.4	0	0	0	113.8	V319 L323 A324 Y514	V319-P321 VanDerWaalsContact O-CD 3.28Å; V319-P321 WeakPolarHBondContact O-CD 3.45Å; P321-L323 PolarHBondContact O-N 3.08Å; P321-A324 WeakPolarHBondContact O-CB 3.3Å; P321-A324 PolarHBondContact O-N 2.79Å; P321-Y514 VanDerWaalsContact CD-CZ 3.49Å; P321-Y514 HydrophobicContact CG-CD1 3.96Å; P321-Y514 HydrophobicContact CG-CD2 4.39Å; P321-Y514 HydrophobicContact CG-CE1 3.38Å; P321-Y514 HydrophobicContact CG-CE2 3.91Å; P321-Y514 HydrophobicContact CG-CG 4.42Å
322	L	66	Low	55.9	Low	52 Å²	52	90.8 Å²	90.8	27%	0.272	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.9	174.6	-62.2	174.3	0	0	0	112.1	N320 A324 K325 Y514	N320-L322 PolarHBondContact O-N 3.26Å; N320-L322 VanDerWaalsContact OD1-CB 3.28Å; N320-L322 WeakPolarHBondContact OD1-CB 3.47Å; N320-L322 PolarHBondContact OD1-N 3.41Å; L322-A324 PolarHBondContact O-N 2.93Å; L322-K325 HydrophobicContact CD2-CD 4.45Å; L322-K325 WeakPolarHBondContact O-CB 3.42Å; L322-K325 PolarHBondContact O-N 2.94Å; L322-K325 VanDerWaalsContact O-N 3.11Å; L322-Y514 HydrophobicContact CG-CE2 4.48Å
323	L	64.3	Low	55.4	Low	38 Å²	38	88.1 Å²	88.1	20%	0.199	46%	0.464	C	S	.	.	H	α-helix	trans	-65.2	-28.2	176	-64.6	168.7	0	0	0	112.1	N320 P321 K325 L326 Q556	N320-L323 HydrophobicContact CB-CD1 3.83Å; N320-L323 HydrophobicContact CB-CG 4.02Å; N320-L323 WeakPolarHBondContact O-CB 3.35Å; N320-L323 PolarHBondContact O-N 3.04Å; N320-L323 VanDerWaalsContact O-N 3.08Å; P321-L323 PolarHBondContact O-N 3.08Å; L323-K325 PolarHBondContact O-N 2.89Å; L323-L326 HydrophobicContact CD2-CD1 4.32Å; L323-L326 WeakPolarHBondContact O-CB 3.14Å; L323-L326 PolarHBondContact O-N 3.17Å; L323-L326 VanDerWaalsContact O-N 3.16Å; L323-Q556 HydrophobicContact CD1-CB 4.46Å; L323-Q556 HydrophobicContact CD1-CG 3.97Å; L323-Q556 HydrophobicContact CD2-CG 3.98Å
324	A	60.2	Low	54.9	Low	58 Å²	58	91.5 Å²	91.5	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-22.5	175.9	0	0	0	0	0	112.5	P321 L322 L326 T327	P321-A324 WeakPolarHBondContact O-CB 3.3Å; P321-A324 PolarHBondContact O-N 2.79Å; L322-A324 PolarHBondContact O-N 2.93Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 2.93Å; A324-T327 PolarHBondContact O-N 2.93Å; A324-T327 PolarHBondContact O-OG1 2.98Å
325	K	59.5	Low	54.8	Low	87 Å²	87	95.8 Å²	95.8	38%	0.378	49%	0.493	S	S	.	.	H	α-helix	trans	-67.9	-29.3	173.5	-66.5	-176.2	177.5	179.8	0	111.6	L322 L323 T327 N328 Y331 E701	L322-K325 HydrophobicContact CD2-CD 4.45Å; L322-K325 WeakPolarHBondContact O-CB 3.42Å; L322-K325 PolarHBondContact O-N 2.94Å; L322-K325 VanDerWaalsContact O-N 3.11Å; L323-K325 PolarHBondContact O-N 2.89Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 3.07Å; K325-N328 PolarHBondContact O-N 3.27Å; K325-Y331 HydrophobicContact CB-CE2 4.28Å; K325-Y331 WeakPolarHBondContact O-CE2 3.37Å; K325-E701 IonicContact NZ-OE1 3.17Å; K325-E701 PolarHBondContact NZ-OE1 2.91Å
326	L	54.7	Low	55	Low	66 Å²	66	89.7 Å²	89.7	35%	0.346	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-31.7	177.5	-82.1	98.8	0	0	0	113.3	L323 A324 N328 L659	L323-L326 HydrophobicContact CD2-CD1 4.32Å; L323-L326 WeakPolarHBondContact O-CB 3.14Å; L323-L326 PolarHBondContact O-N 3.17Å; L323-L326 VanDerWaalsContact O-N 3.16Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 2.93Å; L326-N328 VanDerWaalsContact C-N 3.32Å; L326-L659 HydrophobicContact CD1-CB 4.13Å; L326-L659 HydrophobicContact CD1-CD1 4.33Å
327	T	51.6	Low	55.3	Low	111 Å²	111	88 Å²	88	68%	0.681	45%	0.447	S	S	*	.	H	α-helix	trans	-74.4	-26.3	-176.1	64	0	0	0	0	112.3	A324 K325	A324-T327 PolarHBondContact O-N 2.93Å; A324-T327 PolarHBondContact O-OG1 2.98Å; K325-T327 VanDerWaalsContact C-N 3.3Å; K325-T327 PolarHBondContact O-N 3.07Å
328	N	47.4	Very low	56	Low	117 Å²	117	85.6 Å²	85.6	63%	0.626	45%	0.445	S	S	*	.	S	Bend	trans	-98.4	94.9	-178.1	-68.9	-11.1	0	0	0	109.5	K325 L326	K325-N328 PolarHBondContact O-N 3.27Å; L326-N328 VanDerWaalsContact C-N 3.32Å
329	H	39.6	Very low	57.1	Low	163 Å²	163	77.9 Å²	77.9	76%	0.755	41%	0.411	S	S	*	.	S	Bend	trans	68.9	116.3	174.7	-62.1	-77.6	0	0	0	116.6	Y331	H329-Y331 VanDerWaalsContact C-N 3.27Å; H329-Y331 WeakPolarHBondContact O-CD2 3.4Å; H329-Y331 PolarHBondContact O-N 2.83Å
330	S	37.8	Very low	58.3	Low	94 Å²	94	81 Å²	81	66%	0.657	42%	0.416	S	S	*	.				47.1	40.3	123.7	179.5	0	0	0	0	116.6	K332	S330-K332 PolarHBondContact O-N 3.23Å
331	Y	46.4	Very low	59.3	Low	105 Å²	105	84 Å²	84	41%	0.412	43%	0.432	S	S	.	.			trans	-70.8	82	158.9	-80	-86.5	0	0	0	106.5	K325 H329 F333	K325-Y331 HydrophobicContact CB-CE2 4.28Å; K325-Y331 WeakPolarHBondContact O-CE2 3.37Å; H329-Y331 VanDerWaalsContact C-N 3.27Å; H329-Y331 WeakPolarHBondContact O-CD2 3.4Å; H329-Y331 PolarHBondContact O-N 2.83Å; Y331-F333 PolarHBondContact O-N 3.15Å
332	K	42.5	Very low	60.3	Low	179 Å²	179	85 Å²	85	78%	0.778	43%	0.434	S	S	*	.			trans	-68.6	77.5	167.3	-68.7	-178.8	-178.1	179.3	0	106.4	S330 T334	S330-K332 PolarHBondContact O-N 3.23Å; K332-T334 PolarHBondContact O-N 3.13Å
333	F	48.1	Very low	61.5	Low	59 Å²	59	84.9 Å²	84.9	26%	0.259	43%	0.433	S	S	.	.			trans	-57.5	111	158.8	-110.1	-92.5	0	0	0	105.5	Y331 R335 D658	Y331-F333 PolarHBondContact O-N 3.15Å; F333-R335 PolarHBondContact O-N 2.56Å; F333-D658 WeakPolarHBondContact CE1-OD1 3.39Å; F333-D658 WeakPolarHBondContact CE2-OD1 3.44Å; F333-D658 WeakPolarHBondContact CZ-OD1 3.42Å
334	T	51.6	Low	62.8	Low	73 Å²	73	85.8 Å²	85.8	45%	0.448	44%	0.443	S	S	.	.			trans	-50.9	130	155.4	46.9	0	0	0	0	105.3	K332 L336 I718	K332-T334 PolarHBondContact O-N 3.13Å; T334-L336 PolarHBondContact O-N 3.33Å; T334-I718 PolarHBondContact OG1-OXT 3.05Å
335	R	60.8	Low	64.4	Low	145 Å²	145	85.2 Å²	85.2	55%	0.547	43%	0.431	S	S	.	.			trans	-44.9	122.8	176.9	-80.9	-174.6	146.2	177.1	-10.5	107.9	F333 D337 S338 Y663 E677	F333-R335 PolarHBondContact O-N 2.56Å; R335-D337 PolarHBondContact O-N 2.97Å; R335-S338 PolarHBondContact O-N 2.96Å; R335-S338 PolarHBondContact O-OG 3.46Å; R335-Y663 WeakPolarHBondContact CG-OH 3.38Å; R335-Y663 PolarHBondContact NE-OH 2.79Å; R335-E677 IonicContact NH2-OE1 2.85Å
336	L	65.6	Low	66	Low	0 Å²	0	86.2 Å²	86.2	0%	0	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-56.6	-27.5	-175.5	-162.5	48.5	0	0	0	110.9	T334 S338 R339 Y663 V665 L698	T334-L336 PolarHBondContact O-N 3.33Å; L336-S338 VanDerWaalsContact C-N 3.31Å; L336-S338 PolarHBondContact O-N 2.82Å; L336-R339 HydrophobicContact CD1-CG 4.46Å; L336-R339 WeakPolarHBondContact O-CG 3.45Å; L336-Y663 HydrophobicContact CB-CD1 4.43Å; L336-Y663 HydrophobicContact CB-CD2 4.33Å; L336-Y663 HydrophobicContact CB-CG 4.04Å; L336-V665 HydrophobicContact CD1-CG2 4.35Å; L336-V665 HydrophobicContact CD2-CG2 3.1Å; L336-V665 HydrophobicContact CG-CG2 3.66Å; L336-L698 HydrophobicContact CD1-CD2 4.13Å; L336-L698 HydrophobicContact CD2-CD1 4.34Å
337	D	63.8	Low	67.7	Low	29 Å²	29	83.2 Å²	83.2	16%	0.155	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-62.8	-25	174.3	-61.4	-24.8	0	0	0	115.9	R335 Y663 C675 S684	R335-D337 PolarHBondContact O-N 2.97Å; D337-Y663 WeakPolarHBondContact OD2-CE1 3.47Å; D337-C675 WeakPolarHBondContact OD1-CB 3.29Å; D337-S684 VanDerWaalsContact CA-OG 3.25Å; D337-S684 WeakPolarHBondContact CA-OG 3.37Å; D337-S684 WeakPolarHBondContact CB-OG 3.34Å; D337-S684 PolarHBondContact OD1-OG 3.03Å
338	S	71.1	Confident	69.7	Low	80 Å²	80	77.9 Å²	77.9	56%	0.559	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-105.1	12.9	-172.4	61.7	0	0	0	0	114.4	R335 L336	R335-S338 PolarHBondContact O-N 2.96Å; R335-S338 PolarHBondContact O-OG 3.46Å; L336-S338 VanDerWaalsContact C-N 3.31Å; L336-S338 PolarHBondContact O-N 2.82Å
339	R	79.2	Confident	71.8	Confident	14 Å²	14	78.4 Å²	78.4	5%	0.053	39%	0.392	C	S	.	.			trans	-69	150.6	-176.5	-66.7	-160.3	177.5	-178.2	0.4	112.6	L336 L686 G703 L705 W717 I718	L336-R339 HydrophobicContact CD1-CG 4.46Å; L336-R339 WeakPolarHBondContact O-CG 3.45Å; R339-L686 HydrophobicContact CB-CD1 4.17Å; R339-L686 HydrophobicContact CB-CD2 4.26Å; R339-L686 VanDerWaalsContact O-CD2 3.26Å; R339-L686 WeakPolarHBondContact O-CD2 3.47Å; R339-G703 PolarHBondContact NH1-O 3.32Å; R339-G703 PolarHBondContact NH2-O 2.88Å; R339-L705 VanDerWaalsContact NH1-CB 3.3Å; R339-W717 HydrophobicContact CB-CB 4.35Å; R339-W717 PolarHBondContact NH1-O 2.95Å; R339-I718 CarbonylContact C-O 3.56Å; R339-I718 WeakPolarHBondContact CA-O 3.34Å; R339-I718 WeakPolarHBondContact CB-O 3.39Å; R339-I718 WeakPolarHBondContact CG-OXT 3.28Å
340	K	83.5	Confident	74.4	Confident	164 Å²	164	71.9 Å²	71.9	71%	0.713	37%	0.366	S	S	*	.			trans	-116.1	151.1	174.8	-67	-177.5	-178.9	179.1	0	109.8	D342 W717 I718	K340-D342 PolarHBondContact O-N 2.84Å; K340-W717 WeakPolarHBondContact O-CA 3.47Å; K340-I718 PolarHBondContact N-O 3.45Å; K340-I718 PolarHBondContact O-N 3.25Å; K340-I718 VanDerWaalsContact O-N 3.13Å
341	L	85.8	Confident	77	Confident	71 Å²	71	68.6 Å²	68.6	37%	0.372	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	120.1	170.4	-177.8	69.8	0	0	0	108.4	C715 W717	L341-C715 HydrophobicContact CD1-CB 3.55Å; L341-W717 HydrophobicContact CB-CE3 4.03Å; L341-W717 HydrophobicContact CB-CH2 4.45Å; L341-W717 HydrophobicContact CB-CZ3 3.9Å; L341-W717 HydrophobicContact CD1-CD2 4.19Å; L341-W717 HydrophobicContact CD1-CE3 4.31Å; L341-W717 HydrophobicContact CD1-CH2 4.15Å; L341-W717 HydrophobicContact CD1-CZ2 4.02Å; L341-W717 HydrophobicContact CD1-CZ3 4.29Å
342	D	87.4	Confident	79.2	Confident	81 Å²	81	63.6 Å²	63.6	43%	0.433	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-57.8	-179.9	-174.3	30.5	0	0	0	110.2	K340 S716 I718	K340-D342 PolarHBondContact O-N 2.84Å; D342-S716 PolarHBondContact N-O 3.41Å; D342-I718 HydrophobicContact CB-CG2 3.94Å
343	I	91	Very high	81.6	Confident	48 Å²	48	56.3 Å²	56.3	25%	0.246	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.6	-175.4	-61.8	169.9	0	0	0	108.8	I345 L381 C715 S716	I343-I345 HydrophobicContact CG2-CD1 4.01Å; I343-I345 HydrophobicContact CG2-CG1 3.73Å; I343-L381 HydrophobicContact CG2-CD1 4.24Å; I343-C715 CarbonylContact O-C 3.59Å; I343-C715 WeakPolarHBondContact O-CA 3.49Å; I343-S716 PolarHBondContact N-O 3.01Å; I343-S716 PolarHBondContact O-N 3.48Å
344	S	91.8	Very high	83.8	Confident	57 Å²	57	55.6 Å²	55.6	40%	0.399	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.2	171.3	160.1	0	0	0	0	108.6
345	I	93.1	Very high	85.8	Confident	47 Å²	47	52.4 Å²	52.4	24%	0.241	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	179.7	-62.5	-177.8	0	0	0	109.6	I343 A347 W376 L381 K713 V714	I343-I345 HydrophobicContact CG2-CD1 4.01Å; I343-I345 HydrophobicContact CG2-CG1 3.73Å; I345-A347 PolarHBondContact O-N 3.25Å; I345-W376 HydrophobicContact CG2-CH2 4.37Å; I345-W376 HydrophobicContact CG2-CZ3 4.32Å; I345-L381 HydrophobicContact CD1-CB 3.45Å; I345-L381 VanDerWaalsContact CD1-CB 3.45Å; I345-L381 HydrophobicContact CD1-CD1 4.25Å; I345-L381 WeakPolarHBondContact CD1-O 3.23Å; I345-K713 CarbonylContact O-C 3.53Å; I345-K713 WeakPolarHBondContact O-CA 3.44Å; I345-V714 PolarHBondContact N-O 3.02Å; I345-V714 PolarHBondContact O-N 3.49Å
346	H	93.1	Very high	87.5	Confident	108 Å²	108	45.8 Å²	45.8	50%	0.5	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	103.8	168.6	-163.6	73.9	0	0	0	109.2	H348 Q712	H346-H348 PolarHBondContact NE2-O 3.08Å; H346-Q712 PolarHBondContact CE1-OE1 3.45Å; H346-Q712 PolarHBondContact NE2-OE1 3.05Å
347	A	91.3	Very high	88.8	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	26%	0.258	C	S	.	.			trans	-93.4	-40.6	-166.6	0	0	0	0	0	112.5	I345 I352 K374 W376 Q712 V714	I345-A347 PolarHBondContact O-N 3.25Å; A347-I352 HydrophobicContact CB-CD1 3.98Å; A347-K374 WeakPolarHBondContact O-CD 3.48Å; A347-K374 VanDerWaalsContact O-CE 3.22Å; A347-K374 WeakPolarHBondContact O-CE 3.26Å; A347-K374 PolarHBondContact O-NZ 2.81Å; A347-W376 HydrophobicContact CB-CH2 4.12Å; A347-W376 HydrophobicContact CB-CZ2 3.55Å; A347-Q712 PolarHBondContact N-O 2.86Å; A347-V714 HydrophobicContact CB-CB 4.3Å; A347-V714 HydrophobicContact CB-CG2 3.61Å
348	H	93.7	Very high	90.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.			trans	-129.1	167.1	-174.2	-76.4	-90.5	0	0	0	110.7	H346 A350 I352 S366 G368 D370 L372 Q712	H346-H348 PolarHBondContact NE2-O 3.08Å; H348-A350 VanDerWaalsContact C-N 3.34Å; H348-I352 HydrophobicContact CB-CG1 4.19Å; H348-S366 PolarHBondContact CD2-OG 3.46Å; H348-S366 PolarHBondContact NE2-OG 3.04Å; H348-G368 PolarHBondContact CE1-N 3.45Å; H348-G368 VanDerWaalsContact CE1-N 3.31Å; H348-G368 PolarHBondContact ND1-N 2.9Å; H348-D370 WeakPolarHBondContact CB-OD2 3.3Å; H348-D370 IonicContact CE1-OD1 3.94Å; H348-D370 IonicContact CG-OD1 3.04Å; H348-D370 IonicContact CG-OD2 2.79Å; H348-D370 IonicContact ND1-OD1 3.94Å; H348-D370 PolarHBondContact ND1-OD1 2.84Å; H348-D370 IonicContact ND1-OD2 3.57Å; H348-D370 PolarHBondContact ND1-OD2 2.68Å; H348-L372 PolarHBondContact CE1-O 3.2Å; H348-L372 VanDerWaalsContact CE1-O 3.29Å; H348-Q712 PolarHBondContact N-O 2.9Å; H348-Q712 WeakPolarHBondContact O-CB 3.36Å
349	N	91.4	Very high	90.9	Very high	128 Å²	128	45.3 Å²	45.3	68%	0.684	25%	0.245	S	C	*	.	S	Bend	trans	-95.6	6.3	175.9	-65.1	-20.8	0	0	0	112.4	D370 Q712	N349-D370 PolarHBondContact N-OD2 2.93Å; N349-D370 VanDerWaalsContact N-OD2 3.11Å; N349-Q712 PolarHBondContact O-NE2 2.61Å
350	A	92.5	Very high	91.1	Very high	25 Å²	25	49.5 Å²	49.5	21%	0.207	27%	0.269	C	S	.	.	S	Bend	trans	-145.6	173.8	179.6	0	0	0	0	0	109.5	H348 D369 D370 Q712	H348-A350 VanDerWaalsContact C-N 3.34Å; A350-D369 HydrophobicContact CB-CB 4.07Å; A350-D370 HydrophobicContact CB-CB 3.87Å; A350-Q712 WeakPolarHBondContact O-CG 3.26Å
351	A	92.5	Very high	91.3	Very high	25 Å²	25	44.6 Å²	44.6	21%	0.207	25%	0.247	C	C	.	.			trans	-56	140.4	179.4	0	0	0	0	0	111.5	G368 D369	A351-G368 WeakPolarHBondContact O-CA 3.41Å; A351-D369 PolarHBondContact O-N 3.42Å
352	I	94.4	Very high	91.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.9	-179	-55	177.6	0	0	0	108.6	A347 H348 I367 Q694 A708 S709 V714	A347-I352 HydrophobicContact CB-CD1 3.98Å; H348-I352 HydrophobicContact CB-CG1 4.19Å; I352-I367 CarbonylContact C-O 3.43Å; I352-I367 VanDerWaalsContact CA-O 3.25Å; I352-I367 WeakPolarHBondContact CA-O 3.35Å; I352-I367 WeakPolarHBondContact CG2-O 3.39Å; I352-Q694 VanDerWaalsContact O-CB 3.28Å; I352-Q694 WeakPolarHBondContact O-CB 3.47Å; I352-Q694 WeakPolarHBondContact O-CG 3.41Å; I352-A708 HydrophobicContact CB-CB 3.9Å; I352-A708 HydrophobicContact CD1-CB 4.33Å; I352-A708 HydrophobicContact CG2-CB 3.45Å; I352-A708 VanDerWaalsContact CG2-CB 3.45Å; I352-S709 PolarHBondContact N-O 2.96Å; I352-V714 HydrophobicContact CD1-CG2 3.61Å
353	S	91.2	Very high	91.7	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-38.9	-172.8	-6.4	0	0	0	0	112.3	I367 D369	S353-I367 PolarHBondContact N-O 3.01Å; S353-D369 PolarHBondContact OG-OD1 3.02Å
354	K	94.2	Very high	91.9	Very high	44 Å²	44	39.2 Å²	39.2	19%	0.191	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.7	-176.6	-154	70.4	170.6	-171.9	0	113.8	I367 I398	K354-I367 PolarHBondContact O-N 3.43Å; K354-I398 HydrophobicContact CB-CG2 3.94Å; K354-I398 HydrophobicContact CG-CG2 3.86Å
355	L	95.5	Very high	92.1	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.6	169.1	-70	175.4	0	0	0	110.7	L364 C365 S695 V697 A708 V714	L355-L364 HydrophobicContact CD2-CD1 4.46Å; L355-L364 HydrophobicContact CD2-CD2 4.26Å; L355-L364 HydrophobicContact CD2-CG 4.3Å; L355-C365 WeakPolarHBondContact CA-O 3.49Å; L355-S695 PolarHBondContact N-OG 3.44Å; L355-V697 HydrophobicContact CB-CG2 3.69Å; L355-V697 WeakPolarHBondContact O-CG2 3.32Å; L355-A708 HydrophobicContact CD1-CB 3.46Å; L355-A708 VanDerWaalsContact CD1-CB 3.46Å; L355-A708 HydrophobicContact CD2-CB 4.05Å; L355-A708 HydrophobicContact CG-CB 3.5Å; L355-V714 HydrophobicContact CD2-CG2 4.21Å
356	A	95.1	Very high	92.2	Very high	6 Å²	6	34.3 Å²	34.3	5%	0.05	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.2	166.8	0	0	0	0	0	110.5	L364 C365 I398 F400	A356-L364 CarbonylContact O-C 3.52Å; A356-C365 PolarHBondContact N-O 2.98Å; A356-C365 PolarHBondContact O-N 3.38Å; A356-I398 HydrophobicContact CB-CG1 4.31Å; A356-I398 HydrophobicContact CB-CG2 3.84Å; A356-F400 HydrophobicContact CB-CD2 3.87Å; A356-F400 HydrophobicContact CB-CE2 4.16Å; A356-F400 WeakPolarHBondContact O-CE2 3.44Å
357	I	94.2	Very high	92.3	Very high	33 Å²	33	29.1 Å²	29.1	17%	0.169	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.1	174.9	-162.3	169.8	0	0	0	109.7	W363 L364 I378 F400 V697 D699	I357-W363 WeakPolarHBondContact CA-O 3.38Å; I357-W363 WeakPolarHBondContact CG1-O 3.26Å; I357-L364 HydrophobicContact CB-CD1 4.4Å; I357-I378 HydrophobicContact CD1-CD1 3.52Å; I357-I378 HydrophobicContact CG1-CD1 3.86Å; I357-F400 VanDerWaalsContact C-CD2 3.46Å; I357-V697 HydrophobicContact CB-CG1 3.6Å; I357-V697 HydrophobicContact CG2-CG1 3.3Å; I357-D699 HydrophobicContact CD1-CB 3.44Å; I357-D699 VanDerWaalsContact CD1-CB 3.44Å
358	H	92.9	Very high	92.3	Very high	5 Å²	5	29 Å²	29	2%	0.023	17%	0.168	C	C	.	.			trans	-80.4	137.9	171.4	-171	-83.7	0	0	0	110.1	N360 K361 W363 F400	H358-N360 PolarHBondContact ND1-N 3.17Å; H358-N360 PolarHBondContact O-N 3.29Å; H358-K361 HydrophobicContact CB-CB 4.3Å; H358-K361 WeakPolarHBondContact ND1-CB 3.44Å; H358-K361 PolarHBondContact ND1-N 3.29Å; H358-K361 VanDerWaalsContact O-O 3.07Å; H358-W363 HydrophobicContact CB-CB 4.08Å; H358-W363 PolarHBondContact N-O 3.3Å; H358-F400 HydrophobicContact CB-CB 4.48Å; H358-F400 HydrophobicContact CB-CD1 4.24Å; H358-F400 HydrophobicContact CB-CD2 4.14Å; H358-F400 HydrophobicContact CB-CE1 4.47Å; H358-F400 HydrophobicContact CB-CE2 4.39Å; H358-F400 HydrophobicContact CB-CG 4.05Å; H358-F400 AromaticContact CD2-CD1 3.74Å
359	S	85	Confident	92.1	Very high	60 Å²	60	32.5 Å²	32.5	42%	0.42	19%	0.186	S	C	.	.	S	Bend	trans	-67.8	-35.8	-171.5	53.4	0	0	0	0	114.8	P402	S359-P402 PolarHBondContact OG-O 2.69Å
360	N	84.1	Confident	92	Very high	103 Å²	103	27.9 Å²	27.9	55%	0.551	16%	0.162	S	C	*	.	S	Bend	trans	-113.6	-10.3	-175.7	-62	-39.9	0	0	0	114.3	H358 P402	H358-N360 PolarHBondContact ND1-N 3.17Å; H358-N360 PolarHBondContact O-N 3.29Å; N360-P402 PolarHBondContact ND2-O 3.02Å
361	K	86.4	Confident	91.9	Very high	61 Å²	61	30.2 Å²	30.2	27%	0.265	17%	0.167	S	C	.	.	S	Bend	trans	-120.6	139.8	-175.2	-68	-166.8	173.9	-157.6	0	106.7	H358 W363 E405	H358-K361 HydrophobicContact CB-CB 4.3Å; H358-K361 WeakPolarHBondContact ND1-CB 3.44Å; H358-K361 PolarHBondContact ND1-N 3.29Å; H358-K361 VanDerWaalsContact O-O 3.07Å; K361-W363 HydrophobicContact CB-CD2 3.82Å; K361-W363 HydrophobicContact CB-CE3 4.15Å; K361-W363 HydrophobicContact CB-CG 3.98Å; K361-W363 HydrophobicContact CD-CD2 3.78Å; K361-W363 HydrophobicContact CD-CE3 3.67Å; K361-W363 HydrophobicContact CD-CH2 3.42Å; K361-W363 VanDerWaalsContact CD-CH2 3.42Å; K361-W363 HydrophobicContact CD-CZ2 3.45Å; K361-W363 VanDerWaalsContact CD-CZ2 3.45Å; K361-W363 HydrophobicContact CD-CZ3 3.51Å; K361-W363 HydrophobicContact CG-CD2 4.48Å; K361-W363 PolarHBondContact O-N 3.13Å; K361-E405 WeakPolarHBondContact CE-OE1 3.31Å; K361-E405 IonicContact NZ-OE1 3.43Å; K361-E405 PolarHBondContact NZ-OE1 3.43Å; K361-E405 IonicContact NZ-OE2 3.57Å; K361-E405 PolarHBondContact NZ-OE2 2.89Å
362	S	89.9	Confident	91.9	Very high	66 Å²	66	29.9 Å²	29.9	46%	0.462	16%	0.162	S	C	.	.	S	Bend	trans	-73.3	61.8	178.1	-46.5	0	0	0	0	111	K377 I378	S362-K377 WeakPolarHBondContact O-CA 3.39Å; S362-I378 WeakPolarHBondContact CB-O 3.27Å; S362-I378 PolarHBondContact O-N 3.48Å
363	W	92.8	Very high	91.8	Very high	21 Å²	21	29.9 Å²	29.9	8%	0.08	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.8	-176.2	-66.8	-14	0	0	0	110.3	I357 H358 K361 L375 W376 L384 E405 I421 L423	I357-W363 WeakPolarHBondContact CA-O 3.38Å; I357-W363 WeakPolarHBondContact CG1-O 3.26Å; H358-W363 HydrophobicContact CB-CB 4.08Å; H358-W363 PolarHBondContact N-O 3.3Å; K361-W363 HydrophobicContact CB-CD2 3.82Å; K361-W363 HydrophobicContact CB-CE3 4.15Å; K361-W363 HydrophobicContact CB-CG 3.98Å; K361-W363 HydrophobicContact CD-CD2 3.78Å; K361-W363 HydrophobicContact CD-CE3 3.67Å; K361-W363 HydrophobicContact CD-CH2 3.42Å; K361-W363 VanDerWaalsContact CD-CH2 3.42Å; K361-W363 HydrophobicContact CD-CZ2 3.45Å; K361-W363 VanDerWaalsContact CD-CZ2 3.45Å; K361-W363 HydrophobicContact CD-CZ3 3.51Å; K361-W363 HydrophobicContact CG-CD2 4.48Å; K361-W363 PolarHBondContact O-N 3.13Å; W363-L375 HydrophobicContact CB-CD1 4.1Å; W363-L375 HydrophobicContact CD2-CD2 4.32Å; W363-L375 HydrophobicContact CE3-CD2 4.4Å; W363-W376 CarbonylContact C-O 3.53Å; W363-W376 VanDerWaalsContact CA-O 3.3Å; W363-W376 WeakPolarHBondContact CA-O 3.4Å; W363-L384 HydrophobicContact CG-CD1 4.4Å; W363-E405 HydrophobicContact CH2-CG 4.23Å; W363-E405 WeakPolarHBondContact CH2-OE2 3.43Å; W363-E405 HydrophobicContact CZ3-CB 4.32Å; W363-E405 HydrophobicContact CZ3-CG 4.21Å; W363-I421 HydrophobicContact CH2-CG2 4.13Å; W363-I421 HydrophobicContact CZ3-CG2 4.05Å; W363-L423 HydrophobicContact CH2-CD1 3.97Å; W363-L423 HydrophobicContact CH2-CG 4.5Å; W363-L423 HydrophobicContact CZ2-CD1 3.38Å; W363-L423 HydrophobicContact CZ2-CG 4.34Å
364	L	94.9	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135	171.8	-172.1	69.2	0	0	0	108.7	L355 A356 I357 L375 W376 I378 L381 Y706 V714	L355-L364 HydrophobicContact CD2-CD1 4.46Å; L355-L364 HydrophobicContact CD2-CD2 4.26Å; L355-L364 HydrophobicContact CD2-CG 4.3Å; A356-L364 CarbonylContact O-C 3.52Å; I357-L364 HydrophobicContact CB-CD1 4.4Å; L364-L375 CarbonylContact O-C 3.53Å; L364-L375 WeakPolarHBondContact O-CA 3.5Å; L364-W376 HydrophobicContact CB-CB 4.24Å; L364-W376 PolarHBondContact N-O 3.23Å; L364-W376 PolarHBondContact O-N 2.76Å; L364-I378 HydrophobicContact CB-CD1 3.65Å; L364-I378 HydrophobicContact CB-CG1 3.91Å; L364-I378 HydrophobicContact CD1-CD1 4.26Å; L364-I378 HydrophobicContact CG-CD1 4.4Å; L364-L381 HydrophobicContact CD2-CD2 3.55Å; L364-Y706 HydrophobicContact CD1-CD2 4.42Å; L364-Y706 HydrophobicContact CD1-CG 4.34Å; L364-Y706 HydrophobicContact CD2-CD1 4.03Å; L364-Y706 HydrophobicContact CD2-CG 3.98Å; L364-V714 HydrophobicContact CD2-CG1 3.92Å
365	C	95.5	Very high	91.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.3	169.3	-162.4	0	0	0	0	110.3	L355 A356 K374 L375 I398 F400	L355-C365 WeakPolarHBondContact CA-O 3.49Å; A356-C365 PolarHBondContact N-O 2.98Å; A356-C365 PolarHBondContact O-N 3.38Å; C365-K374 CarbonylContact C-O 3.54Å; C365-K374 VanDerWaalsContact CA-O 3.3Å; C365-K374 WeakPolarHBondContact CA-O 3.4Å; C365-K374 PolarHBondContact SG-O 3.02Å; C365-K374 VanDerWaalsContact SG-O 3.36Å; C365-L375 HydrophobicContact CB-CD1 4.25Å; C365-I398 HydrophobicContact CB-CD1 3.75Å; C365-I398 WeakPolarHBondContact SG-CD1 3.5Å; C365-F400 HydrophobicContact CB-CE2 3.63Å; C365-F400 HydrophobicContact CB-CZ 3.69Å
366	S	95.6	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.6	170.3	64.7	0	0	0	0	111.3	H348 W373 K374 W376	H348-S366 PolarHBondContact CD2-OG 3.46Å; H348-S366 PolarHBondContact NE2-OG 3.04Å; S366-W373 CarbonylContact O-C 3.53Å; S366-W373 WeakPolarHBondContact O-CA 3.27Å; S366-K374 PolarHBondContact N-O 3.29Å; S366-K374 PolarHBondContact O-N 3.12Å; S366-W376 PolarHBondContact OG-NE1 2.89Å
367	I	94.9	Very high	91.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.7	172.3	-72.5	166	0	0	0	109.2	I352 S353 K354 W373 I395 I398	I352-I367 CarbonylContact C-O 3.43Å; I352-I367 VanDerWaalsContact CA-O 3.25Å; I352-I367 WeakPolarHBondContact CA-O 3.35Å; I352-I367 WeakPolarHBondContact CG2-O 3.39Å; S353-I367 PolarHBondContact N-O 3.01Å; K354-I367 PolarHBondContact O-N 3.43Å; I367-W373 HydrophobicContact CG1-CB 3.93Å; I367-I395 HydrophobicContact CD1-CB 4.16Å; I367-I395 HydrophobicContact CD1-CG2 3.39Å; I367-I395 HydrophobicContact CG1-CG2 4.14Å; I367-I395 HydrophobicContact CG2-CB 3.73Å; I367-I395 HydrophobicContact CG2-CG2 4.18Å; I367-I398 HydrophobicContact CD1-CB 3.39Å; I367-I398 HydrophobicContact CD1-CD1 3.72Å; I367-I398 HydrophobicContact CD1-CG1 4.15Å; I367-I398 HydrophobicContact CD1-CG2 3.56Å; I367-I398 HydrophobicContact CG1-CB 4.44Å; I367-I398 HydrophobicContact CG1-CD1 3.96Å; I367-I398 HydrophobicContact CG1-CG2 4.41Å
368	G	91.6	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	157.1	167.4	0	0	0	0	0	112.7	H348 A351 D370 K371 L372	H348-G368 PolarHBondContact CE1-N 3.45Å; H348-G368 VanDerWaalsContact CE1-N 3.31Å; H348-G368 PolarHBondContact ND1-N 2.9Å; A351-G368 WeakPolarHBondContact O-CA 3.41Å; G368-D370 VanDerWaalsContact CA-OD1 3.27Å; G368-D370 WeakPolarHBondContact CA-OD1 3.5Å; G368-D370 PolarHBondContact O-N 2.96Å; G368-D370 VanDerWaalsContact O-N 3.13Å; G368-K371 PolarHBondContact O-N 3.34Å; G368-K371 VanDerWaalsContact O-N 3.14Å; G368-L372 PolarHBondContact N-O 3.33Å
369	D	89.6	Confident	91.2	Very high	73 Å²	73	32.3 Å²	32.3	39%	0.39	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.7	167.9	-69.1	-7.8	0	0	0	112.2	A350 A351 S353 K371	A350-D369 HydrophobicContact CB-CB 4.07Å; A351-D369 PolarHBondContact O-N 3.42Å; S353-D369 PolarHBondContact OG-OD1 3.02Å; D369-K371 PolarHBondContact O-N 3.34Å; D369-K371 VanDerWaalsContact O-N 3.16Å
370	D	90	Very high	91.4	Very high	30 Å²	30	36.2 Å²	36.2	16%	0.16	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	4.1	169	60.5	5	0	0	0	113.6	H348 N349 A350 G368 L372	H348-D370 WeakPolarHBondContact CB-OD2 3.3Å; H348-D370 IonicContact CE1-OD1 3.94Å; H348-D370 IonicContact CG-OD1 3.04Å; H348-D370 IonicContact CG-OD2 2.79Å; H348-D370 IonicContact ND1-OD1 3.94Å; H348-D370 PolarHBondContact ND1-OD1 2.84Å; H348-D370 IonicContact ND1-OD2 3.57Å; H348-D370 PolarHBondContact ND1-OD2 2.68Å; N349-D370 PolarHBondContact N-OD2 2.93Å; N349-D370 VanDerWaalsContact N-OD2 3.11Å; A350-D370 HydrophobicContact CB-CB 3.87Å; G368-D370 VanDerWaalsContact CA-OD1 3.27Å; G368-D370 WeakPolarHBondContact CA-OD1 3.5Å; G368-D370 PolarHBondContact O-N 2.96Å; G368-D370 VanDerWaalsContact O-N 3.13Å; D370-L372 HydrophobicContact CB-CD1 4.07Å; D370-L372 PolarHBondContact O-N 3.25Å; D370-L372 WeakPolarHBondContact OD1-CB 3.33Å; D370-L372 PolarHBondContact OD1-N 3.43Å; D370-L372 WeakPolarHBondContact OD2-CD1 3.11Å
371	K	89.6	Confident	91.7	Very high	75 Å²	75	31.5 Å²	31.5	33%	0.326	16%	0.156	S	C	.	.	S	Bend	trans	68.2	23.1	177.9	-46.5	173.3	-167.2	-178	0	112.7	G368 D369 L389 T392	G368-K371 PolarHBondContact O-N 3.34Å; G368-K371 VanDerWaalsContact O-N 3.14Å; D369-K371 PolarHBondContact O-N 3.34Å; D369-K371 VanDerWaalsContact O-N 3.16Å; K371-L389 PolarHBondContact O-N 3.47Å; K371-L389 VanDerWaalsContact O-N 3.1Å; K371-T392 VanDerWaalsContact CE-O 3.24Å; K371-T392 WeakPolarHBondContact CE-O 3.39Å; K371-T392 PolarHBondContact NZ-O 2.79Å
372	L	91.5	Very high	91.9	Very high	17 Å²	17	33 Å²	33	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.8	177.3	-67.3	149.4	0	0	0	109.2	H348 G368 D370 E386 Y387 K388	H348-L372 PolarHBondContact CE1-O 3.2Å; H348-L372 VanDerWaalsContact CE1-O 3.29Å; G368-L372 PolarHBondContact N-O 3.33Å; D370-L372 HydrophobicContact CB-CD1 4.07Å; D370-L372 PolarHBondContact O-N 3.25Å; D370-L372 WeakPolarHBondContact OD1-CB 3.33Å; D370-L372 PolarHBondContact OD1-N 3.43Å; D370-L372 WeakPolarHBondContact OD2-CD1 3.11Å; L372-E386 HydrophobicContact CD2-CG 3.77Å; L372-E386 VanDerWaalsContact CD2-OE1 3.29Å; L372-E386 WeakPolarHBondContact CD2-OE1 3.24Å; L372-Y387 WeakPolarHBondContact CA-O 3.25Å; L372-K388 HydrophobicContact CD2-CB 3.5Å; L372-K388 HydrophobicContact CD2-CD 4.43Å; L372-K388 HydrophobicContact CD2-CG 3.87Å; L372-K388 HydrophobicContact CG-CB 4.43Å; L372-K388 HydrophobicContact CG-CG 4.33Å
373	W	93.5	Very high	91.9	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	158.1	68	-93.4	0	0	0	109.2	S366 I367 L375 M385 Y387 I395 L407 W419 I421 P434	S366-W373 CarbonylContact O-C 3.53Å; S366-W373 WeakPolarHBondContact O-CA 3.27Å; I367-W373 HydrophobicContact CG1-CB 3.93Å; W373-L375 HydrophobicContact CZ3-CB 4.22Å; W373-M385 HydrophobicContact CH2-CE 3.43Å; W373-M385 VanDerWaalsContact CH2-CE 3.43Å; W373-M385 HydrophobicContact CH2-SD 3.7Å; W373-M385 HydrophobicContact CZ2-CE 4.14Å; W373-M385 HydrophobicContact CZ3-CE 4.05Å; W373-M385 HydrophobicContact CZ3-CG 4.22Å; W373-M385 HydrophobicContact CZ3-SD 3.85Å; W373-Y387 AromaticContact CD1-CD1 4Å; W373-Y387 HydrophobicContact CZ2-CG 4.5Å; W373-Y387 PolarHBondContact N-O 2.93Å; W373-Y387 VanDerWaalsContact N-O 3.13Å; W373-Y387 AromaticContact NE1-CD1 3.39Å; W373-Y387 AromaticContact NE1-CG 3.85Å; W373-Y387 PolarHBondContact O-N 3.4Å; W373-I395 HydrophobicContact CB-CD1 4.36Å; W373-L407 HydrophobicContact CD2-CD2 3.99Å; W373-L407 HydrophobicContact CE3-CD2 3.88Å; W373-L407 HydrophobicContact CH2-CD2 3.84Å; W373-L407 HydrophobicContact CZ2-CD2 3.98Å; W373-L407 HydrophobicContact CZ3-CD2 3.79Å; W373-W419 HydrophobicContact CZ2-CG 4.48Å; W373-I421 HydrophobicContact CH2-CD1 4.34Å; W373-I421 HydrophobicContact CH2-CG1 4.24Å; W373-P434 HydrophobicContact CH2-CB 4.06Å; W373-P434 HydrophobicContact CH2-CG 4.28Å; W373-P434 HydrophobicContact CZ2-CB 3.73Å; W373-P434 HydrophobicContact CZ2-CG 3.72Å
374	K	93.6	Very high	91.8	Very high	25 Å²	25	31.4 Å²	31.4	11%	0.109	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.1	-177.9	-69.2	-178.3	-179.1	-163.3	0	109.6	A347 C365 S366 W376 L383 M385 E386	A347-K374 WeakPolarHBondContact O-CD 3.48Å; A347-K374 VanDerWaalsContact O-CE 3.22Å; A347-K374 WeakPolarHBondContact O-CE 3.26Å; A347-K374 PolarHBondContact O-NZ 2.81Å; C365-K374 CarbonylContact C-O 3.54Å; C365-K374 VanDerWaalsContact CA-O 3.3Å; C365-K374 WeakPolarHBondContact CA-O 3.4Å; C365-K374 PolarHBondContact SG-O 3.02Å; C365-K374 VanDerWaalsContact SG-O 3.36Å; S366-K374 PolarHBondContact N-O 3.29Å; S366-K374 PolarHBondContact O-N 3.12Å; K374-W376 HydrophobicContact CB-CZ2 3.83Å; K374-W376 HydrophobicContact CD-CH2 4.16Å; K374-W376 HydrophobicContact CD-CZ2 3.59Å; K374-W376 HydrophobicContact CG-CZ2 4.35Å; K374-L383 HydrophobicContact CB-CD1 3.82Å; K374-L383 HydrophobicContact CD-CD1 4.06Å; K374-L383 HydrophobicContact CG-CD1 4.07Å; K374-M385 WeakPolarHBondContact CA-O 3.4Å; K374-E386 WeakPolarHBondContact CE-OE1 3.42Å; K374-E386 WeakPolarHBondContact CE-OE2 3.21Å; K374-E386 HydrophobicContact CG-CB 4.14Å; K374-E386 HydrophobicContact CG-CG 3.96Å; K374-E386 IonicContact NZ-OE1 3.66Å; K374-E386 IonicContact NZ-OE2 3.84Å; K374-E386 PolarHBondContact NZ-OE2 3.24Å
375	L	94.3	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.4	173.9	-167.7	69.9	0	0	0	109.3	W363 L364 C365 W373 L384 M385 F400 I421	W363-L375 HydrophobicContact CB-CD1 4.1Å; W363-L375 HydrophobicContact CD2-CD2 4.32Å; W363-L375 HydrophobicContact CE3-CD2 4.4Å; L364-L375 CarbonylContact O-C 3.53Å; L364-L375 WeakPolarHBondContact O-CA 3.5Å; C365-L375 HydrophobicContact CB-CD1 4.25Å; W373-L375 HydrophobicContact CZ3-CB 4.22Å; L375-L384 HydrophobicContact CB-CB 4.35Å; L375-L384 HydrophobicContact CD2-CB 4.24Å; L375-L384 HydrophobicContact CD2-CD1 4.13Å; L375-L384 HydrophobicContact CG-CB 4.36Å; L375-L384 HydrophobicContact CG-CD1 4.25Å; L375-L384 PolarHBondContact O-N 2.76Å; L375-M385 HydrophobicContact CB-CG 3.3Å; L375-M385 HydrophobicContact CB-SD 4.06Å; L375-M385 HydrophobicContact CD2-CG 3.77Å; L375-M385 HydrophobicContact CD2-SD 3.63Å; L375-M385 HydrophobicContact CG-CG 4.17Å; L375-M385 HydrophobicContact CG-SD 4.48Å; L375-M385 PolarHBondContact N-O 3.44Å; L375-M385 PolarHBondContact O-N 2.93Å; L375-F400 HydrophobicContact CD1-CE1 4.24Å; L375-F400 HydrophobicContact CD1-CZ 3.59Å; L375-I421 HydrophobicContact CD2-CD1 4.45Å; L375-I421 HydrophobicContact CD2-CG2 4.1Å
376	W	93.8	Very high	91.3	Very high	15 Å²	15	35.2 Å²	35.2	6%	0.057	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.6	-176.8	-48.1	87.5	0	0	0	110.5	I345 A347 W363 L364 S366 K374 L381 E382 L383	I345-W376 HydrophobicContact CG2-CH2 4.37Å; I345-W376 HydrophobicContact CG2-CZ3 4.32Å; A347-W376 HydrophobicContact CB-CH2 4.12Å; A347-W376 HydrophobicContact CB-CZ2 3.55Å; W363-W376 CarbonylContact C-O 3.53Å; W363-W376 VanDerWaalsContact CA-O 3.3Å; W363-W376 WeakPolarHBondContact CA-O 3.4Å; L364-W376 HydrophobicContact CB-CB 4.24Å; L364-W376 PolarHBondContact N-O 3.23Å; L364-W376 PolarHBondContact O-N 2.76Å; S366-W376 PolarHBondContact OG-NE1 2.89Å; K374-W376 HydrophobicContact CB-CZ2 3.83Å; K374-W376 HydrophobicContact CD-CH2 4.16Å; K374-W376 HydrophobicContact CD-CZ2 3.59Å; K374-W376 HydrophobicContact CG-CZ2 4.35Å; W376-L381 HydrophobicContact CB-CD2 4.22Å; W376-L381 VanDerWaalsContact CE3-O 3.25Å; W376-E382 CarbonylContact C-O 3.48Å; W376-E382 VanDerWaalsContact CA-O 3.25Å; W376-E382 WeakPolarHBondContact CA-O 3.19Å; W376-L383 HydrophobicContact CD2-CD1 4.23Å; W376-L383 HydrophobicContact CE3-CB 3.92Å; W376-L383 HydrophobicContact CE3-CD1 4.08Å; W376-L383 HydrophobicContact CH2-CB 4.45Å; W376-L383 HydrophobicContact CH2-CD1 3.99Å; W376-L383 HydrophobicContact CZ2-CD1 4.1Å; W376-L383 HydrophobicContact CZ3-CB 3.74Å; W376-L383 HydrophobicContact CZ3-CD1 3.99Å; W376-L383 HydrophobicContact CZ3-CG 4.41Å
377	K	92.1	Very high	91.1	Very high	70 Å²	70	37.7 Å²	37.7	30%	0.304	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.9	171.7	-165.8	172.8	-174.9	164.1	0	110.1	S362 L381 E382 L384 D426	S362-K377 WeakPolarHBondContact O-CA 3.39Å; K377-L381 VanDerWaalsContact O-CA 3.24Å; K377-L381 WeakPolarHBondContact O-CA 3.41Å; K377-L381 PolarHBondContact O-N 3.41Å; K377-E382 HydrophobicContact CB-CB 4.21Å; K377-E382 PolarHBondContact N-O 2.74Å; K377-E382 PolarHBondContact O-N 2.92Å; K377-L384 HydrophobicContact CB-CD1 3.94Å; K377-L384 HydrophobicContact CB-CD2 4.13Å; K377-L384 HydrophobicContact CB-CG 3.98Å; K377-L384 HydrophobicContact CD-CD2 4.33Å; K377-D426 IonicContact NZ-OD2 3Å; K377-D426 PolarHBondContact NZ-OD2 3.32Å
378	I	90.5	Very high	90.8	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	145.7	174	-79.4	171.9	0	0	0	109.7	I357 S362 L364 Y706	I357-I378 HydrophobicContact CD1-CD1 3.52Å; I357-I378 HydrophobicContact CG1-CD1 3.86Å; S362-I378 WeakPolarHBondContact CB-O 3.27Å; S362-I378 PolarHBondContact O-N 3.48Å; L364-I378 HydrophobicContact CB-CD1 3.65Å; L364-I378 HydrophobicContact CB-CG1 3.91Å; L364-I378 HydrophobicContact CD1-CD1 4.26Å; L364-I378 HydrophobicContact CG-CD1 4.4Å; I378-Y706 HydrophobicContact CD1-CD2 3.86Å; I378-Y706 HydrophobicContact CD1-CE2 3.35Å; I378-Y706 HydrophobicContact CG1-CE1 4.27Å; I378-Y706 HydrophobicContact CG1-CE2 3.77Å; I378-Y706 HydrophobicContact CG2-CE2 4.19Å; I378-Y706 WeakPolarHBondContact CG2-OH 3.31Å
379	P	86.4	Confident	90.4	Very high	53 Å²	53	45.1 Å²	45.1	34%	0.344	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	-13.5	3.9	33.4	-34.2	0	0	0	115.4	L381 Y704 Y706	P379-L381 PolarHBondContact O-N 2.83Å; P379-Y704 HydrophobicContact CB-CD2 4.25Å; P379-Y704 HydrophobicContact CB-CE1 4.21Å; P379-Y704 HydrophobicContact CB-CE2 3.89Å; P379-Y704 HydrophobicContact CG-CE2 4.5Å; P379-Y706 WeakPolarHBondContact CA-OH 3.39Å
380	K	87.7	Confident	89.8	Confident	141 Å²	141	47.8 Å²	47.8	61%	0.613	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.1	-174.8	-69	-175.9	178.3	-178.7	0	115.1	E382	K380-E382 HydrophobicContact CB-CG 3.99Å; K380-E382 WeakPolarHBondContact CD-OE1 3.12Å; K380-E382 PolarHBondContact O-N 3.49Å
381	L	90.8	Very high	89.2	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.026	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	48.1	-175	-62.6	171	0	0	0	112.1	I343 I345 L364 W376 K377 P379 Y706 V714	I343-L381 HydrophobicContact CG2-CD1 4.24Å; I345-L381 HydrophobicContact CD1-CB 3.45Å; I345-L381 VanDerWaalsContact CD1-CB 3.45Å; I345-L381 HydrophobicContact CD1-CD1 4.25Å; I345-L381 WeakPolarHBondContact CD1-O 3.23Å; L364-L381 HydrophobicContact CD2-CD2 3.55Å; W376-L381 HydrophobicContact CB-CD2 4.22Å; W376-L381 VanDerWaalsContact CE3-O 3.25Å; K377-L381 VanDerWaalsContact O-CA 3.24Å; K377-L381 WeakPolarHBondContact O-CA 3.41Å; K377-L381 PolarHBondContact O-N 3.41Å; P379-L381 PolarHBondContact O-N 2.83Å; L381-Y706 HydrophobicContact CD1-CD1 4.45Å; L381-Y706 HydrophobicContact CD1-CE1 4.32Å; L381-Y706 HydrophobicContact CD2-CD1 4.02Å; L381-Y706 HydrophobicContact CD2-CE1 3.85Å; L381-Y706 HydrophobicContact CG-CE1 4.15Å; L381-V714 HydrophobicContact CD1-CG1 4.17Å; L381-V714 HydrophobicContact CD2-CG1 4.35Å
382	E	90.5	Very high	88.6	Confident	93 Å²	93	49.9 Å²	49.9	44%	0.435	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.3	174.2	-64.4	171.1	-178.6	0	0	109.9	W376 K377 K380 L384	W376-E382 CarbonylContact C-O 3.48Å; W376-E382 VanDerWaalsContact CA-O 3.25Å; W376-E382 WeakPolarHBondContact CA-O 3.19Å; K377-E382 HydrophobicContact CB-CB 4.21Å; K377-E382 PolarHBondContact N-O 2.74Å; K377-E382 PolarHBondContact O-N 2.92Å; K380-E382 HydrophobicContact CB-CG 3.99Å; K380-E382 WeakPolarHBondContact CD-OE1 3.12Å; K380-E382 PolarHBondContact O-N 3.49Å; E382-L384 PolarHBondContact O-N 3.23Å
383	L	90.4	Very high	88.2	Confident	51 Å²	51	51.2 Å²	51.2	27%	0.267	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	119.9	-178.7	-177.1	67.6	0	0	0	111.1	K374 W376 P429	K374-L383 HydrophobicContact CB-CD1 3.82Å; K374-L383 HydrophobicContact CD-CD1 4.06Å; K374-L383 HydrophobicContact CG-CD1 4.07Å; W376-L383 HydrophobicContact CD2-CD1 4.23Å; W376-L383 HydrophobicContact CE3-CB 3.92Å; W376-L383 HydrophobicContact CE3-CD1 4.08Å; W376-L383 HydrophobicContact CH2-CB 4.45Å; W376-L383 HydrophobicContact CH2-CD1 3.99Å; W376-L383 HydrophobicContact CZ2-CD1 4.1Å; W376-L383 HydrophobicContact CZ3-CB 3.74Å; W376-L383 HydrophobicContact CZ3-CD1 3.99Å; W376-L383 HydrophobicContact CZ3-CG 4.41Å; L383-P429 HydrophobicContact CD2-CB 4.22Å; L383-P429 HydrophobicContact CD2-CG 4.21Å; L383-P429 HydrophobicContact CG-CB 4.16Å; L383-P429 HydrophobicContact CG-CG 4.5Å
384	L	90.3	Very high	88	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-38.8	178.8	-68.5	175.8	0	0	0	112.9	W363 L375 K377 E382 L423 D426 P429 N432	W363-L384 HydrophobicContact CG-CD1 4.4Å; L375-L384 HydrophobicContact CB-CB 4.35Å; L375-L384 HydrophobicContact CD2-CB 4.24Å; L375-L384 HydrophobicContact CD2-CD1 4.13Å; L375-L384 HydrophobicContact CG-CB 4.36Å; L375-L384 HydrophobicContact CG-CD1 4.25Å; L375-L384 PolarHBondContact O-N 2.76Å; K377-L384 HydrophobicContact CB-CD1 3.94Å; K377-L384 HydrophobicContact CB-CD2 4.13Å; K377-L384 HydrophobicContact CB-CG 3.98Å; K377-L384 HydrophobicContact CD-CD2 4.33Å; E382-L384 PolarHBondContact O-N 3.23Å; L384-L423 HydrophobicContact CB-CD2 4.46Å; L384-L423 HydrophobicContact CD1-CD1 4.1Å; L384-D426 HydrophobicContact CD2-CB 4.36Å; L384-D426 WeakPolarHBondContact CD2-O 3.15Å; L384-P429 WeakPolarHBondContact O-CA 3.31Å; L384-N432 PolarHBondContact O-ND2 3.3Å
385	M	90.3	Very high	88	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	153.8	179.3	56.8	-179.8	-48.1	0	0	111	W373 K374 L375 I421 L423 N432 P434	W373-M385 HydrophobicContact CH2-CE 3.43Å; W373-M385 VanDerWaalsContact CH2-CE 3.43Å; W373-M385 HydrophobicContact CH2-SD 3.7Å; W373-M385 HydrophobicContact CZ2-CE 4.14Å; W373-M385 HydrophobicContact CZ3-CE 4.05Å; W373-M385 HydrophobicContact CZ3-CG 4.22Å; W373-M385 HydrophobicContact CZ3-SD 3.85Å; K374-M385 WeakPolarHBondContact CA-O 3.4Å; L375-M385 HydrophobicContact CB-CG 3.3Å; L375-M385 HydrophobicContact CB-SD 4.06Å; L375-M385 HydrophobicContact CD2-CG 3.77Å; L375-M385 HydrophobicContact CD2-SD 3.63Å; L375-M385 HydrophobicContact CG-CG 4.17Å; L375-M385 HydrophobicContact CG-SD 4.48Å; L375-M385 PolarHBondContact N-O 3.44Å; L375-M385 PolarHBondContact O-N 2.93Å; M385-I421 HydrophobicContact SD-CG1 4.32Å; M385-I421 HydrophobicContact SD-CG2 3.81Å; M385-L423 HydrophobicContact CG-CD2 4.45Å; M385-L423 HydrophobicContact SD-CD2 4.14Å; M385-N432 HydrophobicContact CB-CB 3.96Å; M385-P434 HydrophobicContact CE-CB 3.58Å; M385-P434 VanDerWaalsContact CE-CD 3.44Å; M385-P434 HydrophobicContact CE-CG 3.63Å
386	E	90.1	Very high	87.9	Confident	79 Å²	79	54.8 Å²	54.8	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.3	174.6	175.5	170.1	175.7	0	0	108.5	L372 K374	L372-E386 HydrophobicContact CD2-CG 3.77Å; L372-E386 VanDerWaalsContact CD2-OE1 3.29Å; L372-E386 WeakPolarHBondContact CD2-OE1 3.24Å; K374-E386 WeakPolarHBondContact CE-OE1 3.42Å; K374-E386 WeakPolarHBondContact CE-OE2 3.21Å; K374-E386 HydrophobicContact CG-CB 4.14Å; K374-E386 HydrophobicContact CG-CG 3.96Å; K374-E386 IonicContact NZ-OE1 3.66Å; K374-E386 IonicContact NZ-OE2 3.84Å; K374-E386 PolarHBondContact NZ-OE2 3.24Å
387	Y	90.8	Very high	87.9	Confident	52 Å²	52	54.2 Å²	54.2	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	125.7	176.8	-177.3	-93.5	0	0	0	111.8	L372 W373 L389 W419 P434	L372-Y387 WeakPolarHBondContact CA-O 3.25Å; W373-Y387 AromaticContact CD1-CD1 4Å; W373-Y387 HydrophobicContact CZ2-CG 4.5Å; W373-Y387 PolarHBondContact N-O 2.93Å; W373-Y387 VanDerWaalsContact N-O 3.13Å; W373-Y387 AromaticContact NE1-CD1 3.39Å; W373-Y387 AromaticContact NE1-CG 3.85Å; W373-Y387 PolarHBondContact O-N 3.4Å; Y387-L389 HydrophobicContact CE1-CD1 4.05Å; Y387-W419 AromaticContact CD1-CH2 3.94Å; Y387-W419 HydrophobicContact CD1-CH2 3.94Å; Y387-W419 HydrophobicContact CD1-CZ2 4.3Å; Y387-W419 HydrophobicContact CD1-CZ3 4.28Å; Y387-W419 AromaticContact CE1-CH2 3.12Å; Y387-W419 HydrophobicContact CE1-CH2 3.12Å; Y387-W419 AromaticContact CE1-CZ2 3.76Å; Y387-W419 HydrophobicContact CE1-CZ2 3.76Å; Y387-W419 AromaticContact CE1-CZ3 3.65Å; Y387-W419 HydrophobicContact CE1-CZ3 3.65Å; Y387-W419 HydrophobicContact CE2-CH2 4.39Å; Y387-W419 HydrophobicContact CE2-CZ3 4.15Å; Y387-W419 AromaticContact CZ-CH2 3.4Å; Y387-W419 AromaticContact CZ-CZ3 3.56Å; Y387-W419 WeakPolarHBondContact OH-CH2 3.36Å; Y387-P434 HydrophobicContact CD1-CG 4.44Å; Y387-P434 HydrophobicContact CD2-CG 3.29Å; Y387-P434 HydrophobicContact CE2-CG 3.98Å; Y387-P434 HydrophobicContact CG-CG 3.55Å
388	K	88.1	Confident	88	Confident	145 Å²	145	51.2 Å²	51.2	63%	0.63	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.1	175.1	-165.7	173.2	-178.1	173.5	0	110.5	L372	L372-K388 HydrophobicContact CD2-CB 3.5Å; L372-K388 HydrophobicContact CD2-CD 4.43Å; L372-K388 HydrophobicContact CD2-CG 3.87Å; L372-K388 HydrophobicContact CG-CB 4.43Å; L372-K388 HydrophobicContact CG-CG 4.33Å
389	L	84.9	Confident	88.3	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.052	26%	0.263	C	S	.	.			trans	-70.9	136.3	178.4	-161.1	59.7	0	0	0	111.1	K371 Y387 T391 I395 M411 W419	K371-L389 PolarHBondContact O-N 3.47Å; K371-L389 VanDerWaalsContact O-N 3.1Å; Y387-L389 HydrophobicContact CE1-CD1 4.05Å; L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 WeakPolarHBondContact CD2-OG1 3.24Å; L389-T391 VanDerWaalsContact CG-OG1 3.25Å; L389-T391 WeakPolarHBondContact CG-OG1 3.23Å; L389-T391 PolarHBondContact O-N 2.97Å; L389-I395 HydrophobicContact CD2-CD1 4.42Å; L389-I395 HydrophobicContact CD2-CG1 4Å; L389-M411 HydrophobicContact CD2-CE 3.54Å; L389-M411 HydrophobicContact CD2-CG 4.33Å; L389-M411 HydrophobicContact CD2-SD 3.9Å; L389-W419 HydrophobicContact CD1-CH2 4.22Å; L389-W419 HydrophobicContact CD1-CZ2 3.92Å
390	T	76.5	Confident	88.7	Confident	130 Å²	130	50.1 Å²	50.1	80%	0.798	25%	0.249	S	C	*	.	S	Bend	trans	-71.5	-24.8	179.7	-42	0	0	0	0	112.9
391	T	76.5	Confident	89	Confident	37 Å²	37	43.9 Å²	43.9	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	-77.6	155.8	-178.8	54	0	0	0	0	111.7	L389 D393 M411	L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 WeakPolarHBondContact CD2-OG1 3.24Å; L389-T391 VanDerWaalsContact CG-OG1 3.25Å; L389-T391 WeakPolarHBondContact CG-OG1 3.23Å; L389-T391 PolarHBondContact O-N 2.97Å; T391-D393 PolarHBondContact O-N 3.24Å; T391-M411 HydrophobicContact CG2-CE 4.05Å; T391-M411 WeakPolarHBondContact OG1-CE 3.02Å
392	T	77.2	Confident	88.9	Confident	112 Å²	112	44.9 Å²	44.9	69%	0.687	23%	0.229	S	C	*	.	S	Bend	trans	-70.3	-8.3	177.4	49.7	0	0	0	0	114.3	K371	K371-T392 VanDerWaalsContact CE-O 3.24Å; K371-T392 WeakPolarHBondContact CE-O 3.39Å; K371-T392 PolarHBondContact NZ-O 2.79Å
393	D	84.1	Confident	88.7	Confident	44 Å²	44	47.3 Å²	47.3	24%	0.235	24%	0.238	C	C	.	.	S	Bend	trans	-97.1	153.7	-171.9	-64	-4.6	0	0	0	112.7	T391 M411 A412 Q413	T391-D393 PolarHBondContact O-N 3.24Å; D393-M411 HydrophobicContact CB-CE 4.2Å; D393-A412 HydrophobicContact CB-CB 4.48Å; D393-Q413 HydrophobicContact CB-CG 4.27Å; D393-Q413 VanDerWaalsContact CG-NE2 3.34Å; D393-Q413 WeakPolarHBondContact OD2-CB 3.35Å; D393-Q413 WeakPolarHBondContact OD2-CG 3.45Å; D393-Q413 PolarHBondContact OD2-NE2 2.97Å
394	W	88.9	Confident	88.5	Confident	93 Å²	93	50.3 Å²	50.3	35%	0.352	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-84.3	160.7	176.9	59.3	-79.6	0	0	0	111.4	A412 W448	W394-A412 HydrophobicContact CD2-CB 4.12Å; W394-A412 HydrophobicContact CG-CB 4.24Å; W394-A412 HydrophobicContact CZ2-CB 4.09Å; W394-A412 PolarHBondContact O-N 3.31Å; W394-W448 HydrophobicContact CH2-CH2 4.17Å; W394-W448 AromaticContact CH2-CZ3 3.78Å; W394-W448 HydrophobicContact CH2-CZ3 3.78Å
395	I	92.9	Very high	88.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.4	-177.2	-53.5	168.2	0	0	0	107.3	I367 W373 L389 G410	I367-I395 HydrophobicContact CD1-CB 4.16Å; I367-I395 HydrophobicContact CD1-CG2 3.39Å; I367-I395 HydrophobicContact CG1-CG2 4.14Å; I367-I395 HydrophobicContact CG2-CB 3.73Å; I367-I395 HydrophobicContact CG2-CG2 4.18Å; W373-I395 HydrophobicContact CB-CD1 4.36Å; L389-I395 HydrophobicContact CD2-CD1 4.42Å; L389-I395 HydrophobicContact CD2-CG1 4Å; I395-G410 CarbonylContact C-O 3.53Å; I395-G410 VanDerWaalsContact CG2-O 3.23Å; I395-G410 WeakPolarHBondContact CG2-O 3.33Å
396	S	92.1	Very high	88.6	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.063	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-29.2	-171.9	50.9	0	0	0	0	113.3	G410 V447	S396-G410 PolarHBondContact N-O 3Å; S396-G410 PolarHBondContact OG-O 2.84Å; S396-V447 WeakPolarHBondContact CB-O 3.14Å; S396-V447 PolarHBondContact OG-O 3.42Å
397	S	94	Very high	88.7	Confident	2 Å²	2	50 Å²	50	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.2	-177.3	65.3	0	0	0	0	112.4	T409 G410 V447 M450	S397-T409 WeakPolarHBondContact O-CA 3.46Å; S397-G410 PolarHBondContact N-O 3.46Å; S397-G410 PolarHBondContact O-N 2.71Å; S397-V447 WeakPolarHBondContact CB-O 3.34Å; S397-V447 PolarHBondContact OG-O 2.89Å; S397-V447 VanDerWaalsContact OG-O 3.12Å; S397-M450 VanDerWaalsContact OG-CG 3.31Å; S397-M450 WeakPolarHBondContact OG-CG 3.18Å; S397-M450 PolarHBondContact OG-SD 3.4Å
398	I	95.3	Very high	88.9	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	144.2	-179	-171.2	158.5	0	0	0	111	K354 A356 C365 I367 L407 A408 T409	K354-I398 HydrophobicContact CB-CG2 3.94Å; K354-I398 HydrophobicContact CG-CG2 3.86Å; A356-I398 HydrophobicContact CB-CG1 4.31Å; A356-I398 HydrophobicContact CB-CG2 3.84Å; C365-I398 HydrophobicContact CB-CD1 3.75Å; C365-I398 WeakPolarHBondContact SG-CD1 3.5Å; I367-I398 HydrophobicContact CD1-CB 3.39Å; I367-I398 HydrophobicContact CD1-CD1 3.72Å; I367-I398 HydrophobicContact CD1-CG1 4.15Å; I367-I398 HydrophobicContact CD1-CG2 3.56Å; I367-I398 HydrophobicContact CG1-CB 4.44Å; I367-I398 HydrophobicContact CG1-CD1 3.96Å; I367-I398 HydrophobicContact CG1-CG2 4.41Å; I398-L407 HydrophobicContact CD1-CD1 3.78Å; I398-L407 HydrophobicContact CD1-CD2 3.92Å; I398-L407 HydrophobicContact CD1-CG 4.16Å; I398-L407 HydrophobicContact CG1-CD1 3.62Å; I398-L407 HydrophobicContact CG1-CD2 4.46Å; I398-L407 HydrophobicContact CG1-CG 4.16Å; I398-A408 WeakPolarHBondContact CA-O 3.47Å; I398-T409 HydrophobicContact CD1-CG2 4.25Å; I398-T409 HydrophobicContact CG1-CG2 4.36Å
399	D	95.8	Very high	89.1	Confident	30 Å²	30	40.7 Å²	40.7	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	148.3	169.5	-163	26.6	0	0	0	111.9	A408 M450 N451 W452	D399-A408 PolarHBondContact N-O 2.82Å; D399-A408 PolarHBondContact O-N 2.83Å; D399-M450 HydrophobicContact CB-CB 4.47Å; D399-N451 VanDerWaalsContact OD2-CA 3.23Å; D399-N451 WeakPolarHBondContact OD2-CA 3.4Å; D399-W452 PolarHBondContact O-NE1 2.85Å; D399-W452 PolarHBondContact OD2-N 2.8Å
400	F	95.4	Very high	89.5	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.4	177.2	-81.5	-75.2	0	0	0	111.3	A356 I357 H358 C365 L375 L407 I421	A356-F400 HydrophobicContact CB-CD2 3.87Å; A356-F400 HydrophobicContact CB-CE2 4.16Å; A356-F400 WeakPolarHBondContact O-CE2 3.44Å; I357-F400 VanDerWaalsContact C-CD2 3.46Å; H358-F400 HydrophobicContact CB-CB 4.48Å; H358-F400 HydrophobicContact CB-CD1 4.24Å; H358-F400 HydrophobicContact CB-CD2 4.14Å; H358-F400 HydrophobicContact CB-CE1 4.47Å; H358-F400 HydrophobicContact CB-CE2 4.39Å; H358-F400 HydrophobicContact CB-CG 4.05Å; H358-F400 AromaticContact CD2-CD1 3.74Å; C365-F400 HydrophobicContact CB-CE2 3.63Å; C365-F400 HydrophobicContact CB-CZ 3.69Å; L375-F400 HydrophobicContact CD1-CE1 4.24Å; L375-F400 HydrophobicContact CD1-CZ 3.59Å; F400-L407 HydrophobicContact CD1-CB 4.45Å; F400-L407 HydrophobicContact CD1-CD1 3.56Å; F400-L407 HydrophobicContact CD2-CD1 4.15Å; F400-L407 HydrophobicContact CE1-CB 4.41Å; F400-L407 HydrophobicContact CE1-CD1 3.47Å; F400-L407 VanDerWaalsContact CE1-CD1 3.47Å; F400-L407 HydrophobicContact CE1-CG 4.5Å; F400-L407 HydrophobicContact CE2-CD1 4.06Å; F400-L407 HydrophobicContact CG-CD1 3.92Å; F400-L407 HydrophobicContact CZ-CD1 3.73Å; F400-I421 HydrophobicContact CE1-CD1 3.81Å
401	H	93.3	Very high	90.3	Very high	10 Å²	10	34 Å²	34	5%	0.046	17%	0.169	C	C	.	.			trans	-65.3	139.5	166.1	179.6	-76.2	0	0	0	109.7	K403 E404 I406 W452 G456	H401-K403 VanDerWaalsContact C-N 3.35Å; H401-K403 PolarHBondContact ND1-N 2.81Å; H401-K403 VanDerWaalsContact ND1-N 3.12Å; H401-K403 PolarHBondContact O-N 3.24Å; H401-E404 PolarHBondContact CE1-N 3.02Å; H401-E404 VanDerWaalsContact CE1-N 3.33Å; H401-E404 PolarHBondContact ND1-N 3.42Å; H401-I406 HydrophobicContact CB-CB 3.71Å; H401-I406 HydrophobicContact CB-CG2 4.26Å; H401-I406 VanDerWaalsContact CB-O 3.31Å; H401-I406 WeakPolarHBondContact CB-O 3.39Å; H401-I406 PolarHBondContact N-O 2.89Å; H401-W452 HydrophobicContact CB-CD2 4.25Å; H401-W452 HydrophobicContact CB-CH2 4.46Å; H401-W452 HydrophobicContact CB-CZ2 4.15Å; H401-W452 AromaticContact CD2-CE3 3.73Å; H401-W452 AromaticContact CD2-CH2 3.78Å; H401-W452 AromaticContact CD2-CZ3 3.51Å; H401-G456 PolarHBondContact CD2-O 3.01Å; H401-G456 WeakPolarHBondContact NE2-CA 3.46Å; H401-G456 PolarHBondContact NE2-O 3.25Å
402	P	88.6	Confident	91	Very high	27 Å²	27	33.2 Å²	33.2	18%	0.175	17%	0.167	C	C	.	.	S	Bend	trans	-72.3	-17.8	-169.2	26	-37.2	0	0	0	116.1	S359 N360 H453 W454	S359-P402 PolarHBondContact OG-O 2.69Å; N360-P402 PolarHBondContact ND2-O 3.02Å; P402-H453 WeakPolarHBondContact CG-O 3.21Å; P402-W454 WeakPolarHBondContact CG-O 3.44Å
403	K	86.6	Confident	91.5	Very high	144 Å²	144	31.1 Å²	31.1	63%	0.626	15%	0.149	S	C	*	.	S	Bend	trans	-125.7	-55.3	-176.5	-60.9	-179.4	-178.7	177.5	0	113.5	H401	H401-K403 VanDerWaalsContact C-N 3.35Å; H401-K403 PolarHBondContact ND1-N 2.81Å; H401-K403 VanDerWaalsContact ND1-N 3.12Å; H401-K403 PolarHBondContact O-N 3.24Å
404	E	87.4	Confident	91.8	Very high	114 Å²	114	29 Å²	29	53%	0.533	14%	0.138	S	C	.	.	S	Bend	trans	-79.1	158.7	178.1	-57	-175.7	-178.8	0	0	112.8	H401 I406	H401-E404 PolarHBondContact CE1-N 3.02Å; H401-E404 VanDerWaalsContact CE1-N 3.33Å; H401-E404 PolarHBondContact ND1-N 3.42Å; E404-I406 HydrophobicContact CB-CD1 4.08Å; E404-I406 HydrophobicContact CB-CG1 4.07Å; E404-I406 PolarHBondContact O-N 2.88Å; E404-I406 WeakPolarHBondContact OE2-CD1 3.26Å
405	E	89.6	Confident	91.7	Very high	65 Å²	65	24.6 Å²	24.6	30%	0.304	12%	0.121	S	C	.	.	S	Bend	trans	-79.1	56.5	179	-55.3	177.9	-154	0	0	111	K361 W363 I421	K361-E405 WeakPolarHBondContact CE-OE1 3.31Å; K361-E405 IonicContact NZ-OE1 3.43Å; K361-E405 PolarHBondContact NZ-OE1 3.43Å; K361-E405 IonicContact NZ-OE2 3.57Å; K361-E405 PolarHBondContact NZ-OE2 2.89Å; W363-E405 HydrophobicContact CH2-CG 4.23Å; W363-E405 WeakPolarHBondContact CH2-OE2 3.43Å; W363-E405 HydrophobicContact CZ3-CB 4.32Å; W363-E405 HydrophobicContact CZ3-CG 4.21Å; E405-I421 WeakPolarHBondContact CB-O 3.38Å; E405-I421 PolarHBondContact O-N 3.28Å
406	I	91.6	Very high	91.6	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.051	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.6	-177.1	-63.8	177.5	0	0	0	109.2	H401 E404 I418 W419 I437 W452 M477	H401-I406 HydrophobicContact CB-CB 3.71Å; H401-I406 HydrophobicContact CB-CG2 4.26Å; H401-I406 VanDerWaalsContact CB-O 3.31Å; H401-I406 WeakPolarHBondContact CB-O 3.39Å; H401-I406 PolarHBondContact N-O 2.89Å; E404-I406 HydrophobicContact CB-CD1 4.08Å; E404-I406 HydrophobicContact CB-CG1 4.07Å; E404-I406 PolarHBondContact O-N 2.88Å; E404-I406 WeakPolarHBondContact OE2-CD1 3.26Å; I406-I418 HydrophobicContact CG2-CG2 3.38Å; I406-W419 CarbonylContact C-O 3.56Å; I406-W419 VanDerWaalsContact CA-O 3.24Å; I406-W419 WeakPolarHBondContact CA-O 3.35Å; I406-W419 WeakPolarHBondContact CG2-O 3.46Å; I406-I437 HydrophobicContact CD1-CD1 4.19Å; I406-I437 HydrophobicContact CG1-CD1 4.21Å; I406-W452 HydrophobicContact CG2-CH2 4.29Å; I406-W452 HydrophobicContact CG2-CZ2 3.99Å; I406-M477 HydrophobicContact CD1-CE 4.4Å
407	L	93.8	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.2	177.5	-176.3	76.5	0	0	0	109.9	W373 I398 F400 T409 I418 W419 I421	W373-L407 HydrophobicContact CD2-CD2 3.99Å; W373-L407 HydrophobicContact CE3-CD2 3.88Å; W373-L407 HydrophobicContact CH2-CD2 3.84Å; W373-L407 HydrophobicContact CZ2-CD2 3.98Å; W373-L407 HydrophobicContact CZ3-CD2 3.79Å; I398-L407 HydrophobicContact CD1-CD1 3.78Å; I398-L407 HydrophobicContact CD1-CD2 3.92Å; I398-L407 HydrophobicContact CD1-CG 4.16Å; I398-L407 HydrophobicContact CG1-CD1 3.62Å; I398-L407 HydrophobicContact CG1-CD2 4.46Å; I398-L407 HydrophobicContact CG1-CG 4.16Å; F400-L407 HydrophobicContact CD1-CB 4.45Å; F400-L407 HydrophobicContact CD1-CD1 3.56Å; F400-L407 HydrophobicContact CD2-CD1 4.15Å; F400-L407 HydrophobicContact CE1-CB 4.41Å; F400-L407 HydrophobicContact CE1-CD1 3.47Å; F400-L407 VanDerWaalsContact CE1-CD1 3.47Å; F400-L407 HydrophobicContact CE1-CG 4.5Å; F400-L407 HydrophobicContact CE2-CD1 4.06Å; F400-L407 HydrophobicContact CG-CD1 3.92Å; F400-L407 HydrophobicContact CZ-CD1 3.73Å; L407-T409 HydrophobicContact CD2-CG2 3.98Å; L407-T409 HydrophobicContact CG-CG2 4.25Å; L407-I418 CarbonylContact O-C 3.6Å; L407-I418 WeakPolarHBondContact O-CA 3.47Å; L407-W419 HydrophobicContact CB-CB 4.27Å; L407-W419 PolarHBondContact N-O 3.45Å; L407-W419 PolarHBondContact O-N 2.87Å; L407-I421 HydrophobicContact CB-CD1 3.86Å; L407-I421 HydrophobicContact CB-CG1 4.48Å; L407-I421 HydrophobicContact CD2-CD1 4.46Å
408	A	93.6	Very high	91.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.6	173.7	0	0	0	0	0	110	I398 D399 Q417 M450 W452 L459	I398-A408 WeakPolarHBondContact CA-O 3.47Å; D399-A408 PolarHBondContact N-O 2.82Å; D399-A408 PolarHBondContact O-N 2.83Å; A408-Q417 CarbonylContact C-O 3.55Å; A408-Q417 WeakPolarHBondContact CA-O 3.48Å; A408-M450 HydrophobicContact CB-CE 3.41Å; A408-M450 VanDerWaalsContact CB-CE 3.41Å; A408-W452 HydrophobicContact CB-CZ2 3.9Å; A408-L459 HydrophobicContact CB-CD1 4.38Å; A408-L459 HydrophobicContact CB-CD2 3.94Å
409	T	93.9	Very high	91.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.8	-179.4	60	0	0	0	0	110.2	S397 I398 L407 I416 Q417 W419	S397-T409 WeakPolarHBondContact O-CA 3.46Å; I398-T409 HydrophobicContact CD1-CG2 4.25Å; I398-T409 HydrophobicContact CG1-CG2 4.36Å; L407-T409 HydrophobicContact CD2-CG2 3.98Å; L407-T409 HydrophobicContact CG-CG2 4.25Å; T409-I416 CarbonylContact O-C 3.6Å; T409-I416 WeakPolarHBondContact O-CA 3.38Å; T409-Q417 PolarHBondContact N-O 2.81Å; T409-Q417 PolarHBondContact O-N 3.31Å; T409-Q417 PolarHBondContact OG1-O 2.78Å; T409-W419 PolarHBondContact OG1-NE1 2.9Å
410	G	93.4	Very high	90.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.7	175.8	0	0	0	0	0	111	I395 S396 S397 M450	I395-G410 CarbonylContact C-O 3.53Å; I395-G410 VanDerWaalsContact CG2-O 3.23Å; I395-G410 WeakPolarHBondContact CG2-O 3.33Å; S396-G410 PolarHBondContact N-O 3Å; S396-G410 PolarHBondContact OG-O 2.84Å; S397-G410 PolarHBondContact N-O 3.46Å; S397-G410 PolarHBondContact O-N 2.71Å; G410-M450 WeakPolarHBondContact CA-SD 3.48Å; G410-M450 PolarHBondContact N-SD 2.85Å
411	M	92.9	Very high	90.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	158.8	-176.7	-59.7	175.9	58.5	0	0	112.3	L389 T391 D393 Q413 G414 S415 Q417 V447	L389-M411 HydrophobicContact CD2-CE 3.54Å; L389-M411 HydrophobicContact CD2-CG 4.33Å; L389-M411 HydrophobicContact CD2-SD 3.9Å; T391-M411 HydrophobicContact CG2-CE 4.05Å; T391-M411 WeakPolarHBondContact OG1-CE 3.02Å; D393-M411 HydrophobicContact CB-CE 4.2Å; M411-Q413 HydrophobicContact CB-CG 4.07Å; M411-Q413 HydrophobicContact CE-CG 3.87Å; M411-Q413 PolarHBondContact O-N 3.36Å; M411-G414 PolarHBondContact O-N 3.16Å; M411-S415 VanDerWaalsContact CB-O 3.3Å; M411-S415 WeakPolarHBondContact CB-O 3.35Å; M411-S415 WeakPolarHBondContact CG-O 3.47Å; M411-S415 PolarHBondContact N-O 2.85Å; M411-S415 PolarHBondContact SD-OG 2.82Å; M411-Q417 HydrophobicContact SD-CG 3.79Å; M411-Q417 PolarHBondContact SD-NE2 2.77Å; M411-V447 PolarHBondContact O-N 2.92Å
412	A	90.2	Very high	90.2	Very high	21 Å²	21	29 Å²	29	17%	0.174	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30	176.2	0	0	0	0	0	114.1	D393 W394 G414 G445 A446	D393-A412 HydrophobicContact CB-CB 4.48Å; W394-A412 HydrophobicContact CD2-CB 4.12Å; W394-A412 HydrophobicContact CG-CB 4.24Å; W394-A412 HydrophobicContact CZ2-CB 4.09Å; W394-A412 PolarHBondContact O-N 3.31Å; A412-G414 VanDerWaalsContact C-N 3.26Å; A412-G414 PolarHBondContact O-N 3.4Å; A412-G445 CarbonylContact O-C 3.59Å; A412-A446 HydrophobicContact CB-CB 4.49Å; A412-A446 WeakPolarHBondContact O-CA 3.44Å; A412-A446 PolarHBondContact O-N 3Å
413	Q	89.3	Confident	90	Very high	67 Å²	67	29.5 Å²	29.5	31%	0.313	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4	175.4	45.7	174.7	-76.7	0	0	114.5	D393 M411 S415	D393-Q413 HydrophobicContact CB-CG 4.27Å; D393-Q413 VanDerWaalsContact CG-NE2 3.34Å; D393-Q413 WeakPolarHBondContact OD2-CB 3.35Å; D393-Q413 WeakPolarHBondContact OD2-CG 3.45Å; D393-Q413 PolarHBondContact OD2-NE2 2.97Å; M411-Q413 HydrophobicContact CB-CG 4.07Å; M411-Q413 HydrophobicContact CE-CG 3.87Å; M411-Q413 PolarHBondContact O-N 3.36Å; Q413-S415 VanDerWaalsContact C-N 3.34Å; Q413-S415 PolarHBondContact O-N 2.96Å
414	G	88.5	Confident	89.5	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	83	5.2	177.9	0	0	0	0	0	115.6	M411 A412 H443 G445	M411-G414 PolarHBondContact O-N 3.16Å; A412-G414 VanDerWaalsContact C-N 3.26Å; A412-G414 PolarHBondContact O-N 3.4Å; G414-H443 WeakPolarHBondContact O-CB 3.06Å; G414-G445 WeakPolarHBondContact CA-O 3.38Å; G414-G445 PolarHBondContact N-O 3.08Å
415	S	88.6	Confident	88.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.3	171	58.6	0	0	0	0	111.4	M411 Q413 L440	M411-S415 VanDerWaalsContact CB-O 3.3Å; M411-S415 WeakPolarHBondContact CB-O 3.35Å; M411-S415 WeakPolarHBondContact CG-O 3.47Å; M411-S415 PolarHBondContact N-O 2.85Å; M411-S415 PolarHBondContact SD-OG 2.82Å; Q413-S415 VanDerWaalsContact C-N 3.34Å; Q413-S415 PolarHBondContact O-N 2.96Å; S415-L440 WeakPolarHBondContact CA-O 3.36Å
416	I	90.4	Very high	87.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.8	170.3	-61.4	161.4	0	0	0	107.8	T409 I439 L440 V447 M450 L459 S461 W471	T409-I416 CarbonylContact O-C 3.6Å; T409-I416 WeakPolarHBondContact O-CA 3.38Å; I416-I439 CarbonylContact O-C 3.56Å; I416-I439 WeakPolarHBondContact O-CA 3.26Å; I416-L440 HydrophobicContact CB-CB 4.15Å; I416-L440 HydrophobicContact CB-CD1 4.44Å; I416-L440 HydrophobicContact CG2-CD1 4.31Å; I416-L440 PolarHBondContact N-O 2.95Å; I416-L440 PolarHBondContact O-N 3.3Å; I416-V447 HydrophobicContact CG1-CG1 4.44Å; I416-V447 HydrophobicContact CG1-CG2 4.08Å; I416-M450 HydrophobicContact CB-CE 4.39Å; I416-M450 HydrophobicContact CD1-CE 4.43Å; I416-M450 HydrophobicContact CG1-CE 4.24Å; I416-M450 HydrophobicContact CG1-SD 4.14Å; I416-M450 HydrophobicContact CG2-CE 3.35Å; I416-M450 HydrophobicContact CG2-SD 4.18Å; I416-L459 HydrophobicContact CG2-CD2 4.13Å; I416-S461 VanDerWaalsContact CD1-CB 3.5Å; I416-S461 WeakPolarHBondContact CD1-OG 3.1Å; I416-W471 HydrophobicContact CD1-CZ2 3.91Å
417	Q	89	Confident	86.9	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.4	175.8	-48.2	-163.8	8.7	0	0	109.8	A408 T409 M411 W419 R436	A408-Q417 CarbonylContact C-O 3.55Å; A408-Q417 WeakPolarHBondContact CA-O 3.48Å; T409-Q417 PolarHBondContact N-O 2.81Å; T409-Q417 PolarHBondContact O-N 3.31Å; T409-Q417 PolarHBondContact OG1-O 2.78Å; M411-Q417 HydrophobicContact SD-CG 3.79Å; M411-Q417 PolarHBondContact SD-NE2 2.77Å; Q417-W419 HydrophobicContact CB-CZ2 4.1Å; Q417-R436 VanDerWaalsContact CD-CZ 3.43Å; Q417-R436 VanDerWaalsContact OE1-CZ 3.26Å
418	I	91.1	Very high	86.1	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.9	178	-60	160	0	0	0	108.4	I406 L407 I437 G438 L440 V473 M477	I406-I418 HydrophobicContact CG2-CG2 3.38Å; L407-I418 CarbonylContact O-C 3.6Å; L407-I418 WeakPolarHBondContact O-CA 3.47Å; I418-I437 HydrophobicContact CG2-CD1 4.26Å; I418-I437 PolarHBondContact O-N 3.26Å; I418-G438 PolarHBondContact N-O 3.2Å; I418-G438 VanDerWaalsContact N-O 3.07Å; I418-G438 PolarHBondContact O-N 3.49Å; I418-L440 HydrophobicContact CD1-CD1 3.91Å; I418-L440 HydrophobicContact CD1-CG 4.18Å; I418-V473 HydrophobicContact CD1-CB 4.49Å; I418-V473 HydrophobicContact CD1-CG1 3.57Å; I418-V473 HydrophobicContact CD1-CG2 4.18Å; I418-M477 HydrophobicContact CB-CE 4.36Å; I418-M477 HydrophobicContact CD1-CE 4.29Å; I418-M477 HydrophobicContact CG2-CE 3.52Å
419	W	90.6	Very high	85.3	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.5	-174.6	-52.3	90.2	0	0	0	109.6	W373 Y387 L389 I406 L407 T409 Q417 P434 R436	W373-W419 HydrophobicContact CZ2-CG 4.48Å; Y387-W419 AromaticContact CD1-CH2 3.94Å; Y387-W419 HydrophobicContact CD1-CH2 3.94Å; Y387-W419 HydrophobicContact CD1-CZ2 4.3Å; Y387-W419 HydrophobicContact CD1-CZ3 4.28Å; Y387-W419 AromaticContact CE1-CH2 3.12Å; Y387-W419 HydrophobicContact CE1-CH2 3.12Å; Y387-W419 AromaticContact CE1-CZ2 3.76Å; Y387-W419 HydrophobicContact CE1-CZ2 3.76Å; Y387-W419 AromaticContact CE1-CZ3 3.65Å; Y387-W419 HydrophobicContact CE1-CZ3 3.65Å; Y387-W419 HydrophobicContact CE2-CH2 4.39Å; Y387-W419 HydrophobicContact CE2-CZ3 4.15Å; Y387-W419 AromaticContact CZ-CH2 3.4Å; Y387-W419 AromaticContact CZ-CZ3 3.56Å; Y387-W419 WeakPolarHBondContact OH-CH2 3.36Å; L389-W419 HydrophobicContact CD1-CH2 4.22Å; L389-W419 HydrophobicContact CD1-CZ2 3.92Å; I406-W419 CarbonylContact C-O 3.56Å; I406-W419 VanDerWaalsContact CA-O 3.24Å; I406-W419 WeakPolarHBondContact CA-O 3.35Å; I406-W419 WeakPolarHBondContact CG2-O 3.46Å; L407-W419 HydrophobicContact CB-CB 4.27Å; L407-W419 PolarHBondContact N-O 3.45Å; L407-W419 PolarHBondContact O-N 2.87Å; T409-W419 PolarHBondContact OG1-NE1 2.9Å; Q417-W419 HydrophobicContact CB-CZ2 4.1Å; W419-P434 HydrophobicContact CE3-CB 3.94Å; W419-P434 HydrophobicContact CE3-CG 4.25Å; W419-P434 HydrophobicContact CZ3-CG 4.46Å; W419-R436 HydrophobicContact CE3-CB 3.77Å; W419-R436 HydrophobicContact CE3-CG 4.22Å; W419-R436 HydrophobicContact CH2-CB 4.25Å; W419-R436 HydrophobicContact CH2-CG 4.28Å; W419-R436 HydrophobicContact CZ3-CB 3.61Å; W419-R436 HydrophobicContact CZ3-CG 4.08Å
420	K	89.7	Confident	84.3	Confident	84 Å²	84	49.4 Å²	49.4	37%	0.365	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.2	160.9	-150.1	179.9	171.1	-125.1	0	108.1	D422 K435 I437	K420-D422 WeakPolarHBondContact CE-OD1 3.22Å; K420-D422 IonicContact NZ-OD1 2.83Å; K420-D422 PolarHBondContact NZ-OD1 3.2Å; K420-D422 IonicContact NZ-OD2 3.79Å; K420-D422 PolarHBondContact NZ-OD2 2.66Å; K420-D422 VanDerWaalsContact NZ-OD2 3.17Å; K420-K435 HydrophobicContact CB-CB 4.34Å; K420-K435 PolarHBondContact N-O 3.27Å; K420-K435 PolarHBondContact O-N 3.48Å; K420-I437 HydrophobicContact CB-CD1 3.55Å; K420-I437 HydrophobicContact CB-CG1 3.8Å; K420-I437 HydrophobicContact CG-CD1 4.09Å
421	I	90.1	Very high	83.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.			trans	-96.4	110.7	172.5	-63.6	166.7	0	0	0	106.1	W363 W373 L375 M385 F400 E405 L407 L423	W363-I421 HydrophobicContact CH2-CG2 4.13Å; W363-I421 HydrophobicContact CZ3-CG2 4.05Å; W373-I421 HydrophobicContact CH2-CD1 4.34Å; W373-I421 HydrophobicContact CH2-CG1 4.24Å; L375-I421 HydrophobicContact CD2-CD1 4.45Å; L375-I421 HydrophobicContact CD2-CG2 4.1Å; M385-I421 HydrophobicContact SD-CG1 4.32Å; M385-I421 HydrophobicContact SD-CG2 3.81Å; F400-I421 HydrophobicContact CE1-CD1 3.81Å; E405-I421 WeakPolarHBondContact CB-O 3.38Å; E405-I421 PolarHBondContact O-N 3.28Å; L407-I421 HydrophobicContact CB-CD1 3.86Å; L407-I421 HydrophobicContact CB-CG1 4.48Å; L407-I421 HydrophobicContact CD2-CD1 4.46Å; I421-L423 HydrophobicContact CG2-CD2 4.32Å; I421-L423 HydrophobicContact CG2-CG 4.08Å
422	D	85.2	Confident	83	Confident	71 Å²	71	54.3 Å²	54.3	38%	0.38	27%	0.269	S	S	.	.			trans	-115.6	107.5	168.8	-67.5	-42.4	0	0	0	105.7	K420	K420-D422 WeakPolarHBondContact CE-OD1 3.22Å; K420-D422 IonicContact NZ-OD1 2.83Å; K420-D422 PolarHBondContact NZ-OD1 3.2Å; K420-D422 IonicContact NZ-OD2 3.79Å; K420-D422 PolarHBondContact NZ-OD2 2.66Å; K420-D422 VanDerWaalsContact NZ-OD2 3.17Å
423	L	84.4	Confident	82.6	Confident	38 Å²	38	60.1 Å²	60.1	20%	0.199	29%	0.293	C	S	.	.			trans	-86.1	126.1	175.1	-66.1	175.1	0	0	0	109.1	W363 L384 M385 I421 N432	W363-L423 HydrophobicContact CH2-CD1 3.97Å; W363-L423 HydrophobicContact CH2-CG 4.5Å; W363-L423 HydrophobicContact CZ2-CD1 3.38Å; W363-L423 HydrophobicContact CZ2-CG 4.34Å; L384-L423 HydrophobicContact CB-CD2 4.46Å; L384-L423 HydrophobicContact CD1-CD1 4.1Å; M385-L423 HydrophobicContact CG-CD2 4.45Å; M385-L423 HydrophobicContact SD-CD2 4.14Å; I421-L423 HydrophobicContact CG2-CD2 4.32Å; I421-L423 HydrophobicContact CG2-CG 4.08Å; L423-N432 HydrophobicContact CD2-CB 4.08Å
424	I	76.7	Confident	82.4	Confident	127 Å²	127	57.6 Å²	57.6	65%	0.651	28%	0.282	S	S	*	.	S	Bend	trans	-89	-48.1	177.3	-60.8	167.3	0	0	0	109	N432	I424-N432 PolarHBondContact N-OD1 3.37Å
425	D	72	Confident	82.3	Confident	81 Å²	81	64.3 Å²	64.3	43%	0.433	31%	0.311	S	S	.	.			trans	-136.2	130.7	177.3	-82.6	-34.9	0	0	0	111.1	K427 N432	D425-K427 PolarHBondContact O-N 3.04Å; D425-N432 PolarHBondContact N-OD1 3.24Å; D425-N432 PolarHBondContact O-ND2 3.43Å
426	D	68.5	Low	82.1	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.3	178.9	-89.8	15.4	0	0	0	113.7	K377 L384	K377-D426 IonicContact NZ-OD2 3Å; K377-D426 PolarHBondContact NZ-OD2 3.32Å; L384-D426 HydrophobicContact CD2-CB 4.36Å; L384-D426 WeakPolarHBondContact CD2-O 3.15Å
427	K	72.2	Confident	81.7	Confident	190 Å²	190	71.1 Å²	71.1	83%	0.826	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-24.3	-167.9	-67.6	-173.5	179.6	-179.7	0	115.1	D425	D425-K427 PolarHBondContact O-N 3.04Å
428	I	77.8	Confident	81.4	Confident	69 Å²	69	71.5 Å²	71.5	35%	0.354	34%	0.344	S	S	.	.			trans	-118.2	100.7	-172.3	-54.5	168.8	0	0	0	108.6	E430 Q431 N432	I428-E430 VanDerWaalsContact C-N 3.31Å; I428-E430 PolarHBondContact O-N 2.81Å; I428-Q431 HydrophobicContact CB-CG 4.43Å; I428-Q431 HydrophobicContact CG2-CB 4.33Å; I428-Q431 HydrophobicContact CG2-CG 3.81Å; I428-Q431 PolarHBondContact O-N 3.17Å; I428-N432 PolarHBondContact O-ND2 3.42Å
429	P	76.5	Confident	81.1	Confident	38 Å²	38	73.3 Å²	73.3	25%	0.247	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-68.2	-29.2	-174.2	26.1	-34.2	0	0	0	113.4	L383 L384 Q431 N432	L383-P429 HydrophobicContact CD2-CB 4.22Å; L383-P429 HydrophobicContact CD2-CG 4.21Å; L383-P429 HydrophobicContact CG-CB 4.16Å; L383-P429 HydrophobicContact CG-CG 4.5Å; L384-P429 WeakPolarHBondContact O-CA 3.31Å; P429-Q431 VanDerWaalsContact C-N 3.3Å; P429-Q431 PolarHBondContact O-N 3.2Å; P429-N432 PolarHBondContact O-N 2.73Å
430	E	73.7	Confident	80.8	Confident	168 Å²	168	73.4 Å²	73.4	79%	0.785	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-69	-24.4	-177.2	-64.2	-177.1	175.6	0	0	113.8	I428 H433	I428-E430 VanDerWaalsContact C-N 3.31Å; I428-E430 PolarHBondContact O-N 2.81Å; E430-H433 PolarHBondContact O-CE1 3.43Å
431	Q	75.8	Confident	80.6	Confident	100 Å²	100	75.1 Å²	75.1	47%	0.467	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-84.9	-18.3	179.5	-67.5	-176.8	14.2	0	0	112.7	I428 P429 H433	I428-Q431 HydrophobicContact CB-CG 4.43Å; I428-Q431 HydrophobicContact CG2-CB 4.33Å; I428-Q431 HydrophobicContact CG2-CG 3.81Å; I428-Q431 PolarHBondContact O-N 3.17Å; P429-Q431 VanDerWaalsContact C-N 3.3Å; P429-Q431 PolarHBondContact O-N 3.2Å; Q431-H433 PolarHBondContact O-N 3.34Å
432	N	83	Confident	80.2	Confident	2 Å²	2	77.1 Å²	77.1	1%	0.011	37%	0.368	C	S	.	.			trans	-85	105.8	-178.8	-68.7	-37.1	0	0	0	110	L384 M385 L423 I424 D425 I428 P429	L384-N432 PolarHBondContact O-ND2 3.3Å; M385-N432 HydrophobicContact CB-CB 3.96Å; L423-N432 HydrophobicContact CD2-CB 4.08Å; I424-N432 PolarHBondContact N-OD1 3.37Å; D425-N432 PolarHBondContact N-OD1 3.24Å; D425-N432 PolarHBondContact O-ND2 3.43Å; I428-N432 PolarHBondContact O-ND2 3.42Å; P429-N432 PolarHBondContact O-N 2.73Å
433	H	81.2	Confident	80.3	Confident	144 Å²	144	74.2 Å²	74.2	67%	0.667	35%	0.352	S	S	*	.			trans	-104.3	119.6	176.6	-64.8	-47.6	0	0	0	111.5	E430 Q431 K435	E430-H433 PolarHBondContact O-CE1 3.43Å; Q431-H433 PolarHBondContact O-N 3.34Å; H433-K435 PolarHBondContact O-N 3.21Å
434	P	85	Confident	80.5	Confident	14 Å²	14	78.3 Å²	78.3	9%	0.091	38%	0.378	C	S	.	.			trans	-67.3	135.3	174.7	24.6	-27.5	0	0	0	110.2	W373 M385 Y387 W419	W373-P434 HydrophobicContact CH2-CB 4.06Å; W373-P434 HydrophobicContact CH2-CG 4.28Å; W373-P434 HydrophobicContact CZ2-CB 3.73Å; W373-P434 HydrophobicContact CZ2-CG 3.72Å; M385-P434 HydrophobicContact CE-CB 3.58Å; M385-P434 VanDerWaalsContact CE-CD 3.44Å; M385-P434 HydrophobicContact CE-CG 3.63Å; Y387-P434 HydrophobicContact CD1-CG 4.44Å; Y387-P434 HydrophobicContact CD2-CG 3.29Å; Y387-P434 HydrophobicContact CE2-CG 3.98Å; Y387-P434 HydrophobicContact CG-CG 3.55Å; W419-P434 HydrophobicContact CE3-CB 3.94Å; W419-P434 HydrophobicContact CE3-CG 4.25Å; W419-P434 HydrophobicContact CZ3-CG 4.46Å
435	K	85.9	Confident	81.2	Confident	141 Å²	141	72.9 Å²	72.9	61%	0.613	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.4	176	-174.3	175.5	-178.4	175.2	0	109.7	K420 H433 I437	K420-K435 HydrophobicContact CB-CB 4.34Å; K420-K435 PolarHBondContact N-O 3.27Å; K420-K435 PolarHBondContact O-N 3.48Å; H433-K435 PolarHBondContact O-N 3.21Å; K435-I437 PolarHBondContact O-N 3.39Å
436	R	84.5	Confident	82.2	Confident	95 Å²	95	69.6 Å²	69.6	36%	0.358	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	118.3	171.3	-166.2	-175.4	-179.4	170.7	11.5	110.3	Q417 W419 I439	Q417-R436 VanDerWaalsContact CD-CZ 3.43Å; Q417-R436 VanDerWaalsContact OE1-CZ 3.26Å; W419-R436 HydrophobicContact CE3-CB 3.77Å; W419-R436 HydrophobicContact CE3-CG 4.22Å; W419-R436 HydrophobicContact CH2-CB 4.25Å; W419-R436 HydrophobicContact CH2-CG 4.28Å; W419-R436 HydrophobicContact CZ3-CB 3.61Å; W419-R436 HydrophobicContact CZ3-CG 4.08Å; R436-I439 VanDerWaalsContact CZ-CG1 3.41Å
437	I	82.7	Confident	83.5	Confident	48 Å²	48	65.8 Å²	65.8	25%	0.246	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-40	179.8	-57.4	162.6	0	0	0	111	I406 I418 K420 K435 M477	I406-I437 HydrophobicContact CD1-CD1 4.19Å; I406-I437 HydrophobicContact CG1-CD1 4.21Å; I418-I437 HydrophobicContact CG2-CD1 4.26Å; I418-I437 PolarHBondContact O-N 3.26Å; K420-I437 HydrophobicContact CB-CD1 3.55Å; K420-I437 HydrophobicContact CB-CG1 3.8Å; K420-I437 HydrophobicContact CG-CD1 4.09Å; K435-I437 PolarHBondContact O-N 3.39Å; I437-M477 HydrophobicContact CB-CE 4.17Å; I437-M477 HydrophobicContact CD1-CE 3.93Å; I437-M477 HydrophobicContact CG2-CE 3.72Å; I437-M477 HydrophobicContact CG2-CG 3.95Å; I437-M477 HydrophobicContact CG2-SD 3.83Å
438	G	82.1	Confident	84.6	Confident	9 Å²	9	60.9 Å²	60.9	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	173.2	-173.2	0	0	0	0	0	115.1	I418	I418-G438 PolarHBondContact N-O 3.2Å; I418-G438 VanDerWaalsContact N-O 3.07Å; I418-G438 PolarHBondContact O-N 3.49Å
439	I	85.4	Confident	85.4	Confident	41 Å²	41	58.2 Å²	58.2	21%	0.21	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.8	179.1	-33	177	0	0	0	108.4	I416 R436 R441 T493	I416-I439 CarbonylContact O-C 3.56Å; I416-I439 WeakPolarHBondContact O-CA 3.26Å; R436-I439 VanDerWaalsContact CZ-CG1 3.41Å; I439-R441 HydrophobicContact CG2-CG 3.78Å; I439-T493 PolarHBondContact O-OG1 3.14Å
440	L	85.5	Confident	86.3	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.2	172.8	-50	172.6	0	0	0	107.5	S415 I416 I418 L459 W471 A476 T493	S415-L440 WeakPolarHBondContact CA-O 3.36Å; I416-L440 HydrophobicContact CB-CB 4.15Å; I416-L440 HydrophobicContact CB-CD1 4.44Å; I416-L440 HydrophobicContact CG2-CD1 4.31Å; I416-L440 PolarHBondContact N-O 2.95Å; I416-L440 PolarHBondContact O-N 3.3Å; I418-L440 HydrophobicContact CD1-CD1 3.91Å; I418-L440 HydrophobicContact CD1-CG 4.18Å; L440-L459 HydrophobicContact CD1-CD2 4.44Å; L440-W471 HydrophobicContact CB-CD2 4.21Å; L440-W471 HydrophobicContact CB-CE3 3.83Å; L440-W471 HydrophobicContact CB-CH2 3.81Å; L440-W471 HydrophobicContact CB-CZ2 4.24Å; L440-W471 HydrophobicContact CB-CZ3 3.63Å; L440-W471 HydrophobicContact CD1-CB 3.92Å; L440-W471 HydrophobicContact CD1-CD2 3.69Å; L440-W471 HydrophobicContact CD1-CE3 3.85Å; L440-W471 HydrophobicContact CD1-CG 3.74Å; L440-W471 HydrophobicContact CD2-CE3 4.07Å; L440-W471 HydrophobicContact CD2-CZ3 4.4Å; L440-W471 HydrophobicContact CG-CD2 4.43Å; L440-W471 HydrophobicContact CG-CE3 4.13Å; L440-W471 HydrophobicContact CG-CZ3 4.4Å; L440-A476 HydrophobicContact CD2-CB 3.59Å; L440-T493 HydrophobicContact CD2-CG2 4.44Å
441	R	83.6	Confident	87.3	Confident	120 Å²	120	50.2 Å²	50.2	45%	0.453	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	94.1	-175.3	-68.8	-170.7	178.1	-87.7	2.7	109.7	I439	I439-R441 HydrophobicContact CG2-CG 3.78Å
442	Q	82.7	Confident	88.2	Confident	42 Å²	42	46.1 Å²	46.1	20%	0.196	22%	0.222	C	C	.	.			trans	-147.4	-23.2	170	-58.2	-168.9	-24.8	0	0	114.8	T444 R469 W471 T493 S494 C495	Q442-T444 PolarHBondContact O-N 3.33Å; Q442-R469 VanDerWaalsContact C-CZ 3.47Å; Q442-R469 PolarHBondContact O-NH1 3.17Å; Q442-R469 PolarHBondContact O-NH2 3.38Å; Q442-W471 HydrophobicContact CB-CH2 3.6Å; Q442-W471 HydrophobicContact CB-CZ2 4.46Å; Q442-W471 HydrophobicContact CB-CZ3 4.31Å; Q442-W471 HydrophobicContact CG-CH2 3.65Å; Q442-W471 HydrophobicContact CG-CZ3 3.86Å; Q442-T493 PolarHBondContact NE2-O 3.28Å; Q442-T493 VanDerWaalsContact NE2-O 3.14Å; Q442-S494 VanDerWaalsContact NE2-CA 3.27Å; Q442-C495 VanDerWaalsContact CD-N 3.32Å; Q442-C495 PolarHBondContact OE1-SG 3.29Å
443	H	88	Confident	88.6	Confident	10 Å²	10	46 Å²	46	5%	0.046	22%	0.221	C	C	.	.			trans	-63	137.2	172.4	-74.9	-85.9	0	0	0	110.5	G414 G445 V447 S461 D465 R469 W471	G414-H443 WeakPolarHBondContact O-CB 3.06Å; H443-G445 VanDerWaalsContact C-N 3.27Å; H443-V447 HydrophobicContact CB-CG2 4.22Å; H443-S461 PolarHBondContact NE2-OG 3.48Å; H443-D465 VanDerWaalsContact CA-OD2 3.31Å; H443-D465 WeakPolarHBondContact CA-OD2 3.32Å; H443-D465 IonicContact CE1-OD1 2.93Å; H443-D465 IonicContact CE1-OD2 2.92Å; H443-D465 IonicContact CG-OD2 3.37Å; H443-D465 VanDerWaalsContact ND1-CG 3.32Å; H443-D465 IonicContact ND1-OD1 3.52Å; H443-D465 PolarHBondContact ND1-OD1 3.24Å; H443-D465 IonicContact ND1-OD2 2.64Å; H443-D465 PolarHBondContact ND1-OD2 3.23Å; H443-R469 PolarHBondContact CE1-NH1 2.86Å; H443-R469 VanDerWaalsContact CE1-NH1 3.25Å; H443-R469 PolarHBondContact ND1-NH1 2.91Å; H443-W471 AromaticContact CD2-CZ2 3.97Å
444	T	88.4	Confident	88.8	Confident	124 Å²	124	41.1 Å²	41.1	76%	0.761	20%	0.197	S	C	*	.	S	Bend	trans	-95.6	22.8	178.9	59.1	0	0	0	0	111.5	Q442 D465	Q442-T444 PolarHBondContact O-N 3.33Å; T444-D465 PolarHBondContact N-OD2 2.56Å; T444-D465 WeakPolarHBondContact OG1-CB 3.41Å
445	G	90.1	Very high	88.7	Confident	13 Å²	13	42 Å²	42	13%	0.134	20%	0.202	C	C	.	.	S	Bend	trans	179.9	-176	-178.6	0	0	0	0	0	111.8	A412 G414 H443	A412-G445 CarbonylContact O-C 3.59Å; G414-G445 WeakPolarHBondContact CA-O 3.38Å; G414-G445 PolarHBondContact N-O 3.08Å; H443-G445 VanDerWaalsContact C-N 3.27Å
446	A	93.8	Very high	88.7	Confident	11 Å²	11	35.7 Å²	35.7	9%	0.091	18%	0.177	C	C	.	.			trans	-58.7	136.7	-173.2	0	0	0	0	0	113.2	A412 W448 G463 M464	A412-A446 HydrophobicContact CB-CB 4.49Å; A412-A446 WeakPolarHBondContact O-CA 3.44Å; A412-A446 PolarHBondContact O-N 3Å; A446-W448 HydrophobicContact CB-CH2 4.4Å; A446-W448 HydrophobicContact CB-CZ2 4.13Å; A446-W448 PolarHBondContact O-N 2.82Å; A446-G463 CarbonylContact O-C 3.39Å; A446-G463 WeakPolarHBondContact O-CA 3.43Å; A446-M464 HydrophobicContact CB-CB 4.48Å; A446-M464 PolarHBondContact O-N 3.32Å
447	V	95.2	Very high	88.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	99.3	175.3	-175.3	0	0	0	0	108.7	S396 S397 M411 I416 H443 M450 C462	S396-V447 WeakPolarHBondContact CB-O 3.14Å; S396-V447 PolarHBondContact OG-O 3.42Å; S397-V447 WeakPolarHBondContact CB-O 3.34Å; S397-V447 PolarHBondContact OG-O 2.89Å; S397-V447 VanDerWaalsContact OG-O 3.12Å; M411-V447 PolarHBondContact O-N 2.92Å; I416-V447 HydrophobicContact CG1-CG1 4.44Å; I416-V447 HydrophobicContact CG1-CG2 4.08Å; H443-V447 HydrophobicContact CB-CG2 4.22Å; V447-M450 HydrophobicContact CG1-CG 3.59Å; V447-M450 HydrophobicContact CG1-SD 3.95Å; V447-C462 CarbonylContact C-O 3.59Å; V447-C462 WeakPolarHBondContact CA-O 3.39Å; V447-C462 WeakPolarHBondContact CG1-O 3.39Å
448	W	95.3	Very high	89.1	Confident	86 Å²	86	31.2 Å²	31.2	33%	0.326	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-33	-173.9	-66	124	0	0	0	113.4	W394 A446 C462 S505	W394-W448 HydrophobicContact CH2-CH2 4.17Å; W394-W448 AromaticContact CH2-CZ3 3.78Å; W394-W448 HydrophobicContact CH2-CZ3 3.78Å; A446-W448 HydrophobicContact CB-CH2 4.4Å; A446-W448 HydrophobicContact CB-CZ2 4.13Å; A446-W448 PolarHBondContact O-N 2.82Å; W448-C462 PolarHBondContact N-O 3.23Å; W448-S505 PolarHBondContact NE1-OG 3.07Å
449	S	95.3	Very high	89.6	Confident	13 Å²	13	30.8 Å²	30.8	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.1	-177.4	-176.4	0	0	0	0	111.2	S461 C462 N507 I509	S449-S461 WeakPolarHBondContact O-CA 3.49Å; S449-C462 PolarHBondContact N-O 3.39Å; S449-C462 PolarHBondContact O-N 2.99Å; S449-N507 WeakPolarHBondContact CB-O 3.46Å; S449-I509 PolarHBondContact OG-N 3.4Å
450	M	95	Very high	90	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.039	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.7	-179.3	-68.8	170	59.8	0	0	108.8	S397 D399 A408 G410 I416 V447 L459 A460	S397-M450 VanDerWaalsContact OG-CG 3.31Å; S397-M450 WeakPolarHBondContact OG-CG 3.18Å; S397-M450 PolarHBondContact OG-SD 3.4Å; D399-M450 HydrophobicContact CB-CB 4.47Å; A408-M450 HydrophobicContact CB-CE 3.41Å; A408-M450 VanDerWaalsContact CB-CE 3.41Å; G410-M450 WeakPolarHBondContact CA-SD 3.48Å; G410-M450 PolarHBondContact N-SD 2.85Å; I416-M450 HydrophobicContact CB-CE 4.39Å; I416-M450 HydrophobicContact CD1-CE 4.43Å; I416-M450 HydrophobicContact CG1-CE 4.24Å; I416-M450 HydrophobicContact CG1-SD 4.14Å; I416-M450 HydrophobicContact CG2-CE 3.35Å; I416-M450 HydrophobicContact CG2-SD 4.18Å; V447-M450 HydrophobicContact CG1-CG 3.59Å; V447-M450 HydrophobicContact CG1-SD 3.95Å; M450-L459 HydrophobicContact CB-CD1 4.46Å; M450-L459 HydrophobicContact CE-CD1 4.08Å; M450-L459 HydrophobicContact CE-CD2 3.8Å; M450-L459 HydrophobicContact CE-CG 4.33Å; M450-A460 CarbonylContact C-O 3.51Å; M450-A460 VanDerWaalsContact CA-O 3.25Å; M450-A460 WeakPolarHBondContact CA-O 3.23Å
451	N	95.7	Very high	90.4	Very high	31 Å²	31	28.7 Å²	28.7	17%	0.166	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	125.7	176.3	-165.5	-109.7	0	0	0	111.1	D399 A460 F511	D399-N451 VanDerWaalsContact OD2-CA 3.23Å; D399-N451 WeakPolarHBondContact OD2-CA 3.4Å; N451-A460 PolarHBondContact N-O 2.92Å; N451-A460 PolarHBondContact O-N 3Å; N451-F511 HydrophobicContact CB-CD2 4.46Å; N451-F511 WeakPolarHBondContact O-CE2 3.18Å; N451-F511 PolarHBondContact OD1-N 3.12Å
452	W	93.8	Very high	90.9	Very high	14 Å²	14	23 Å²	23	5%	0.053	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.1	172.9	-76.2	93.5	0	0	0	111	D399 H401 I406 A408 G456 L459 V473	D399-W452 PolarHBondContact O-NE1 2.85Å; D399-W452 PolarHBondContact OD2-N 2.8Å; H401-W452 HydrophobicContact CB-CD2 4.25Å; H401-W452 HydrophobicContact CB-CH2 4.46Å; H401-W452 HydrophobicContact CB-CZ2 4.15Å; H401-W452 AromaticContact CD2-CE3 3.73Å; H401-W452 AromaticContact CD2-CH2 3.78Å; H401-W452 AromaticContact CD2-CZ3 3.51Å; I406-W452 HydrophobicContact CG2-CH2 4.29Å; I406-W452 HydrophobicContact CG2-CZ2 3.99Å; A408-W452 HydrophobicContact CB-CZ2 3.9Å; W452-G456 WeakPolarHBondContact CZ3-O 3.41Å; W452-L459 HydrophobicContact CD2-CB 4.3Å; W452-L459 HydrophobicContact CD2-CD1 3.82Å; W452-L459 HydrophobicContact CE3-CB 4.12Å; W452-L459 HydrophobicContact CE3-CD1 4.48Å; W452-L459 HydrophobicContact CG-CD1 3.82Å; W452-L459 HydrophobicContact CZ2-CD2 4.44Å; W452-L459 HydrophobicContact CZ3-CB 4.32Å; W452-V473 HydrophobicContact CH2-CB 3.94Å; W452-V473 HydrophobicContact CH2-CG1 3.83Å; W452-V473 HydrophobicContact CH2-CG2 3.65Å; W452-V473 HydrophobicContact CZ3-CB 3.94Å; W452-V473 HydrophobicContact CZ3-CG1 4.31Å; W452-V473 HydrophobicContact CZ3-CG2 3.65Å
453	H	91.7	Very high	91.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.			trans	-66.7	143.6	167	-172.5	-96.8	0	0	0	110	P402 T455 G456 Y458 F511 N516	P402-H453 WeakPolarHBondContact CG-O 3.21Å; H453-T455 PolarHBondContact CE1-OG1 3.28Å; H453-T455 PolarHBondContact ND1-N 2.88Å; H453-T455 PolarHBondContact ND1-OG1 2.85Å; H453-T455 PolarHBondContact O-N 3.08Å; H453-G456 WeakPolarHBondContact O-CA 3.5Å; H453-G456 PolarHBondContact O-N 3.47Å; H453-Y458 VanDerWaalsContact CB-O 3.22Å; H453-Y458 WeakPolarHBondContact CB-O 3.31Å; H453-Y458 PolarHBondContact N-O 2.83Å; H453-F511 HydrophobicContact CB-CD2 4.15Å; H453-F511 HydrophobicContact CB-CE2 3.87Å; H453-F511 HydrophobicContact CB-CZ 4.13Å; H453-F511 AromaticContact CD2-CD1 3.85Å; H453-F511 AromaticContact CD2-CE1 3.74Å; H453-N516 PolarHBondContact NE2-OD1 2.79Å
454	W	84.8	Confident	91.8	Very high	40 Å²	40	25.6 Å²	25.6	15%	0.152	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.8	-174.7	64.8	93	0	0	0	114.4	P402 G456 L512 Y514 G515 N516	P402-W454 WeakPolarHBondContact CG-O 3.44Å; W454-G456 VanDerWaalsContact C-N 3.29Å; W454-L512 WeakPolarHBondContact CZ3-O 3.32Å; W454-Y514 HydrophobicContact CB-CD1 4.45Å; W454-Y514 AromaticContact CD1-CD1 3.68Å; W454-Y514 VanDerWaalsContact CE2-CA 3.49Å; W454-Y514 HydrophobicContact CG-CD1 4.04Å; W454-Y514 HydrophobicContact CG-CG 4.36Å; W454-Y514 VanDerWaalsContact CH2-C 3.46Å; W454-G515 WeakPolarHBondContact CH2-O 3.42Å; W454-G515 WeakPolarHBondContact CZ3-O 3.45Å; W454-N516 VanDerWaalsContact CH2-OD1 3.31Å; W454-N516 WeakPolarHBondContact CH2-OD1 3.26Å
455	T	84.3	Confident	92	Very high	33 Å²	33	20.8 Å²	20.8	20%	0.202	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.3	174.1	65.1	0	0	0	0	112.9	H453 T457	H453-T455 PolarHBondContact CE1-OG1 3.28Å; H453-T455 PolarHBondContact ND1-N 2.88Å; H453-T455 PolarHBondContact ND1-OG1 2.85Å; H453-T455 PolarHBondContact O-N 3.08Å; T455-T457 VanDerWaalsContact C-N 3.3Å; T455-T457 PolarHBondContact OG1-OG1 3.15Å
456	G	85.7	Confident	92.1	Very high	8 Å²	8	23 Å²	23	8%	0.082	12%	0.116	C	C	.	.	S	Bend	trans	84.3	-4.6	-177.2	0	0	0	0	0	115.3	H401 W452 H453 W454	H401-G456 PolarHBondContact CD2-O 3.01Å; H401-G456 WeakPolarHBondContact NE2-CA 3.46Å; H401-G456 PolarHBondContact NE2-O 3.25Å; W452-G456 WeakPolarHBondContact CZ3-O 3.41Å; H453-G456 WeakPolarHBondContact O-CA 3.5Å; H453-G456 PolarHBondContact O-N 3.47Å; W454-G456 VanDerWaalsContact C-N 3.29Å
457	T	84.6	Confident	92	Very high	38 Å²	38	23 Å²	23	23%	0.233	12%	0.116	C	C	.	.	S	Bend	trans	-81.4	-32.8	-177.1	50.4	0	0	0	0	113.1	T455 V473	T455-T457 VanDerWaalsContact C-N 3.3Å; T455-T457 PolarHBondContact OG1-OG1 3.15Å; T457-V473 PolarHBondContact O-N 2.9Å
458	Y	89.4	Confident	91.9	Very high	11 Å²	11	23.1 Å²	23.1	4%	0.043	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.3	-177	-61.8	-82.6	0	0	0	111.5	C311 D312 L313 H453 W471 N472	C311-Y458 HydrophobicContact CB-CE1 3.84Å; D312-Y458 PolarHBondContact N-OH 3.13Å; D312-Y458 VanDerWaalsContact N-OH 3.1Å; D312-Y458 WeakPolarHBondContact O-CE2 3.26Å; D312-Y458 PolarHBondContact O-OH 2.83Å; L313-Y458 HydrophobicContact CB-CE2 4.43Å; L313-Y458 HydrophobicContact CG-CD2 3.99Å; L313-Y458 HydrophobicContact CG-CE2 4.01Å; H453-Y458 VanDerWaalsContact CB-O 3.22Å; H453-Y458 WeakPolarHBondContact CB-O 3.31Å; H453-Y458 PolarHBondContact N-O 2.83Å; Y458-W471 CarbonylContact C-O 3.51Å; Y458-W471 VanDerWaalsContact CA-O 3.23Å; Y458-W471 WeakPolarHBondContact CA-O 3.38Å; Y458-N472 HydrophobicContact CD1-CB 4.09Å; Y458-N472 HydrophobicContact CE1-CB 3.83Å
459	L	92.7	Very high	91.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	172.9	174.5	65.2	0	0	0	107.7	A408 I416 L440 M450 W452 L470 W471 V473	A408-L459 HydrophobicContact CB-CD1 4.38Å; A408-L459 HydrophobicContact CB-CD2 3.94Å; I416-L459 HydrophobicContact CG2-CD2 4.13Å; L440-L459 HydrophobicContact CD1-CD2 4.44Å; M450-L459 HydrophobicContact CB-CD1 4.46Å; M450-L459 HydrophobicContact CE-CD1 4.08Å; M450-L459 HydrophobicContact CE-CD2 3.8Å; M450-L459 HydrophobicContact CE-CG 4.33Å; W452-L459 HydrophobicContact CD2-CB 4.3Å; W452-L459 HydrophobicContact CD2-CD1 3.82Å; W452-L459 HydrophobicContact CE3-CB 4.12Å; W452-L459 HydrophobicContact CE3-CD1 4.48Å; W452-L459 HydrophobicContact CG-CD1 3.82Å; W452-L459 HydrophobicContact CZ2-CD2 4.44Å; W452-L459 HydrophobicContact CZ3-CB 4.32Å; L459-L470 WeakPolarHBondContact O-CA 3.38Å; L459-W471 HydrophobicContact CB-CB 4.31Å; L459-W471 PolarHBondContact N-O 2.64Å; L459-W471 VanDerWaalsContact O-CD1 3.24Å; L459-W471 PolarHBondContact O-N 2.68Å; L459-V473 HydrophobicContact CB-CG2 3.71Å; L459-V473 HydrophobicContact CD2-CG2 4.22Å
460	A	93.8	Very high	91.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.4	171.3	0	0	0	0	0	109.8	M450 N451 R469 L470 I509 F511 L518	M450-A460 CarbonylContact C-O 3.51Å; M450-A460 VanDerWaalsContact CA-O 3.25Å; M450-A460 WeakPolarHBondContact CA-O 3.23Å; N451-A460 PolarHBondContact N-O 2.92Å; N451-A460 PolarHBondContact O-N 3Å; A460-R469 CarbonylContact C-O 3.56Å; A460-R469 WeakPolarHBondContact CA-O 3.41Å; A460-L470 HydrophobicContact CB-CD2 3.42Å; A460-L470 VanDerWaalsContact CB-CD2 3.42Å; A460-I509 HydrophobicContact CB-CD1 3.66Å; A460-I509 HydrophobicContact CB-CG1 4.13Å; A460-F511 HydrophobicContact CB-CD2 4.18Å; A460-F511 HydrophobicContact CB-CE2 3.42Å; A460-F511 VanDerWaalsContact CB-CE2 3.42Å; A460-F511 HydrophobicContact CB-CZ 3.83Å; A460-L518 HydrophobicContact CB-CD2 3.87Å
461	S	94.5	Very high	91.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.1	173.1	64.7	0	0	0	0	110.9	I416 H443 S449 I468 R469 W471	I416-S461 VanDerWaalsContact CD1-CB 3.5Å; I416-S461 WeakPolarHBondContact CD1-OG 3.1Å; H443-S461 PolarHBondContact NE2-OG 3.48Å; S449-S461 WeakPolarHBondContact O-CA 3.49Å; S461-I468 CarbonylContact O-C 3.6Å; S461-I468 WeakPolarHBondContact O-CA 3.4Å; S461-R469 PolarHBondContact N-O 3.13Å; S461-R469 PolarHBondContact O-N 3.14Å; S461-W471 PolarHBondContact OG-NE1 2.96Å
462	C	94.8	Very high	90.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.6	175.3	75.3	0	0	0	0	110.3	V447 W448 S449 I468 V506 I509	V447-C462 CarbonylContact C-O 3.59Å; V447-C462 WeakPolarHBondContact CA-O 3.39Å; V447-C462 WeakPolarHBondContact CG1-O 3.39Å; W448-C462 PolarHBondContact N-O 3.23Å; S449-C462 PolarHBondContact N-O 3.39Å; S449-C462 PolarHBondContact O-N 2.99Å; C462-I468 HydrophobicContact CB-CG1 4.12Å; C462-V506 HydrophobicContact CB-CB 3.83Å; C462-V506 HydrophobicContact CB-CG1 3.6Å; C462-V506 PolarHBondContact SG-O 3Å; C462-I509 HydrophobicContact CB-CB 4.13Å; C462-I509 HydrophobicContact CB-CD1 4.32Å; C462-I509 HydrophobicContact CB-CG2 4.16Å
463	G	93.5	Very high	90.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	-169.8	-174.3	0	0	0	0	0	116.4	A446 D465 N466 T467 V506	A446-G463 CarbonylContact O-C 3.39Å; A446-G463 WeakPolarHBondContact O-CA 3.43Å; G463-D465 PolarHBondContact O-N 3.01Å; G463-N466 PolarHBondContact O-N 3.12Å; G463-T467 PolarHBondContact N-O 3.36Å; G463-V506 PolarHBondContact O-N 3.44Å; G463-V506 VanDerWaalsContact O-N 3.16Å
464	M	95.7	Very high	89.4	Confident	108 Å²	108	23.7 Å²	23.7	53%	0.532	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	-179.8	-176.4	62.1	-178.3	0	0	113.5	A446 N466	A446-M464 HydrophobicContact CB-CB 4.48Å; A446-M464 PolarHBondContact O-N 3.32Å; M464-N466 PolarHBondContact O-N 3.46Å; M464-N466 PolarHBondContact O-OD1 3.48Å
465	D	92.2	Very high	88.8	Confident	23 Å²	23	28.6 Å²	28.6	12%	0.123	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	12.8	180	65.8	0.5	0	0	0	114.2	H443 T444 G463 T467 R469	H443-D465 VanDerWaalsContact CA-OD2 3.31Å; H443-D465 WeakPolarHBondContact CA-OD2 3.32Å; H443-D465 IonicContact CE1-OD1 2.93Å; H443-D465 IonicContact CE1-OD2 2.92Å; H443-D465 IonicContact CG-OD2 3.37Å; H443-D465 VanDerWaalsContact ND1-CG 3.32Å; H443-D465 IonicContact ND1-OD1 3.52Å; H443-D465 PolarHBondContact ND1-OD1 3.24Å; H443-D465 IonicContact ND1-OD2 2.64Å; H443-D465 PolarHBondContact ND1-OD2 3.23Å; T444-D465 PolarHBondContact N-OD2 2.56Å; T444-D465 WeakPolarHBondContact OG1-CB 3.41Å; G463-D465 PolarHBondContact O-N 3.01Å; D465-T467 VanDerWaalsContact O-CG2 3.26Å; D465-T467 WeakPolarHBondContact O-CG2 3.24Å; D465-T467 PolarHBondContact O-N 3.44Å; D465-T467 PolarHBondContact OD1-N 2.87Å; D465-T467 PolarHBondContact OD1-OG1 2.71Å; D465-T467 PolarHBondContact OD2-OG1 3.29Å; D465-R469 IonicContact OD2-CZ 3.89Å; D465-R469 IonicContact OD2-NH1 2.64Å; D465-R469 PolarHBondContact OD2-NH1 2.89Å; D465-R469 IonicContact OD2-NH2 2.79Å
466	N	93.2	Very high	88	Confident	58 Å²	58	27.8 Å²	27.8	31%	0.31	14%	0.135	S	C	.	.	S	Bend	trans	60.8	12.2	-178.8	-47.2	-21.3	0	0	0	113.5	G463 M464 S503 K504 S505	G463-N466 PolarHBondContact O-N 3.12Å; M464-N466 PolarHBondContact O-N 3.46Å; M464-N466 PolarHBondContact O-OD1 3.48Å; N466-S503 PolarHBondContact ND2-O 2.53Å; N466-K504 VanDerWaalsContact CG-C 3.42Å; N466-K504 VanDerWaalsContact OD1-CA 3.3Å; N466-K504 WeakPolarHBondContact OD1-CA 3.49Å; N466-K504 PolarHBondContact OD1-O 2.96Å; N466-S505 WeakPolarHBondContact OD1-CA 3.31Å; N466-S505 PolarHBondContact OD1-N 2.9Å
467	T	91.6	Very high	87	Confident	13 Å²	13	29.6 Å²	29.6	8%	0.08	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.2	-175.9	73.3	0	0	0	0	111.7	G463 D465 R469 I498 R500	G463-T467 PolarHBondContact N-O 3.36Å; D465-T467 VanDerWaalsContact O-CG2 3.26Å; D465-T467 WeakPolarHBondContact O-CG2 3.24Å; D465-T467 PolarHBondContact O-N 3.44Å; D465-T467 PolarHBondContact OD1-N 2.87Å; D465-T467 PolarHBondContact OD1-OG1 2.71Å; D465-T467 PolarHBondContact OD2-OG1 3.29Å; T467-R469 PolarHBondContact OG1-NH1 2.87Å; T467-I498 HydrophobicContact CG2-CG2 4.15Å; T467-R500 HydrophobicContact CG2-CG 4.29Å
468	I	92.8	Very high	85.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.7	167.1	-59.3	145.7	0	0	0	106.5	S461 C462 I498 L499 V506 I509 T520 W530	S461-I468 CarbonylContact O-C 3.6Å; S461-I468 WeakPolarHBondContact O-CA 3.4Å; C462-I468 HydrophobicContact CB-CG1 4.12Å; I468-I498 CarbonylContact O-C 3.53Å; I468-I498 WeakPolarHBondContact O-CA 3.34Å; I468-L499 HydrophobicContact CB-CB 4.01Å; I468-L499 HydrophobicContact CB-CD1 4.22Å; I468-L499 HydrophobicContact CB-CG 4.26Å; I468-L499 HydrophobicContact CD1-CB 4.34Å; I468-L499 HydrophobicContact CG2-CB 4.48Å; I468-L499 HydrophobicContact CG2-CD1 3.8Å; I468-L499 HydrophobicContact CG2-CG 4.2Å; I468-L499 PolarHBondContact N-O 2.98Å; I468-L499 VanDerWaalsContact N-O 3.1Å; I468-L499 PolarHBondContact O-N 3.36Å; I468-V506 HydrophobicContact CG1-CG1 4.19Å; I468-V506 HydrophobicContact CG1-CG2 4.4Å; I468-I509 HydrophobicContact CB-CD1 4.34Å; I468-I509 HydrophobicContact CG1-CD1 4.34Å; I468-I509 HydrophobicContact CG2-CD1 3.23Å; I468-T520 HydrophobicContact CD1-CG2 3.48Å; I468-T520 VanDerWaalsContact CD1-CG2 3.48Å; I468-T520 HydrophobicContact CG1-CG2 3.92Å; I468-W530 HydrophobicContact CD1-CD2 4.27Å; I468-W530 HydrophobicContact CD1-CZ2 3.89Å
469	R	91.6	Very high	84.3	Confident	19 Å²	19	33.3 Å²	33.3	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.9	177.1	-69.7	-167.1	170.9	84.2	-1.7	110.6	Q442 H443 A460 S461 D465 T467 W471 C495 T497 I498	Q442-R469 VanDerWaalsContact C-CZ 3.47Å; Q442-R469 PolarHBondContact O-NH1 3.17Å; Q442-R469 PolarHBondContact O-NH2 3.38Å; H443-R469 PolarHBondContact CE1-NH1 2.86Å; H443-R469 VanDerWaalsContact CE1-NH1 3.25Å; H443-R469 PolarHBondContact ND1-NH1 2.91Å; A460-R469 CarbonylContact C-O 3.56Å; A460-R469 WeakPolarHBondContact CA-O 3.41Å; S461-R469 PolarHBondContact N-O 3.13Å; S461-R469 PolarHBondContact O-N 3.14Å; D465-R469 IonicContact OD2-CZ 3.89Å; D465-R469 IonicContact OD2-NH1 2.64Å; D465-R469 PolarHBondContact OD2-NH1 2.89Å; D465-R469 IonicContact OD2-NH2 2.79Å; T467-R469 PolarHBondContact OG1-NH1 2.87Å; R469-W471 HydrophobicContact CB-CZ2 4.02Å; R469-W471 HydrophobicContact CG-CZ2 4.45Å; R469-C495 HydrophobicContact CB-CB 4.4Å; R469-T497 WeakPolarHBondContact CA-O 3.37Å; R469-I498 HydrophobicContact CG-CG1 4.34Å
470	L	91.2	Very high	82.4	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.8	168.5	-54.4	-178.7	0	0	0	109.6	L459 A460 C496 T497 F511 L518	L459-L470 WeakPolarHBondContact O-CA 3.38Å; A460-L470 HydrophobicContact CB-CD2 3.42Å; A460-L470 VanDerWaalsContact CB-CD2 3.42Å; L470-C496 PolarHBondContact O-N 2.85Å; L470-T497 WeakPolarHBondContact CB-OG1 3.34Å; L470-T497 PolarHBondContact N-O 3.29Å; L470-T497 PolarHBondContact O-N 3.5Å; L470-F511 HydrophobicContact CD2-CZ 3.95Å; L470-L518 HydrophobicContact CD1-CD1 4.05Å; L470-L518 HydrophobicContact CD2-CD1 3.69Å; L470-L518 HydrophobicContact CG-CD1 4.38Å
471	W	88.7	Confident	80.5	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.011	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.9	-178.5	-49.5	91.4	0	0	0	108.6	I416 L440 Q442 H443 Y458 L459 S461 R469 V473 C495	I416-W471 HydrophobicContact CD1-CZ2 3.91Å; L440-W471 HydrophobicContact CB-CD2 4.21Å; L440-W471 HydrophobicContact CB-CE3 3.83Å; L440-W471 HydrophobicContact CB-CH2 3.81Å; L440-W471 HydrophobicContact CB-CZ2 4.24Å; L440-W471 HydrophobicContact CB-CZ3 3.63Å; L440-W471 HydrophobicContact CD1-CB 3.92Å; L440-W471 HydrophobicContact CD1-CD2 3.69Å; L440-W471 HydrophobicContact CD1-CE3 3.85Å; L440-W471 HydrophobicContact CD1-CG 3.74Å; L440-W471 HydrophobicContact CD2-CE3 4.07Å; L440-W471 HydrophobicContact CD2-CZ3 4.4Å; L440-W471 HydrophobicContact CG-CD2 4.43Å; L440-W471 HydrophobicContact CG-CE3 4.13Å; L440-W471 HydrophobicContact CG-CZ3 4.4Å; Q442-W471 HydrophobicContact CB-CH2 3.6Å; Q442-W471 HydrophobicContact CB-CZ2 4.46Å; Q442-W471 HydrophobicContact CB-CZ3 4.31Å; Q442-W471 HydrophobicContact CG-CH2 3.65Å; Q442-W471 HydrophobicContact CG-CZ3 3.86Å; H443-W471 AromaticContact CD2-CZ2 3.97Å; Y458-W471 CarbonylContact C-O 3.51Å; Y458-W471 VanDerWaalsContact CA-O 3.23Å; Y458-W471 WeakPolarHBondContact CA-O 3.38Å; L459-W471 HydrophobicContact CB-CB 4.31Å; L459-W471 PolarHBondContact N-O 2.64Å; L459-W471 VanDerWaalsContact O-CD1 3.24Å; L459-W471 PolarHBondContact O-N 2.68Å; S461-W471 PolarHBondContact OG-NE1 2.96Å; R469-W471 HydrophobicContact CB-CZ2 4.02Å; R469-W471 HydrophobicContact CG-CZ2 4.45Å; W471-V473 HydrophobicContact CB-CG2 4.43Å; W471-V473 PolarHBondContact O-N 3.12Å; W471-C495 HydrophobicContact CD2-CB 4.21Å; W471-C495 HydrophobicContact CE3-CB 3.78Å; W471-C495 HydrophobicContact CH2-CB 4.33Å; W471-C495 HydrophobicContact CZ3-CB 3.83Å
472	N	85.8	Confident	78.2	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	103.9	160.9	-175.5	-39.7	0	0	0	107.7	Y458 E474 R475 A476 C496	Y458-N472 HydrophobicContact CD1-CB 4.09Å; Y458-N472 HydrophobicContact CE1-CB 3.83Å; N472-E474 PolarHBondContact OD1-N 3.02Å; N472-R475 HydrophobicContact CB-CB 4.08Å; N472-R475 HydrophobicContact CB-CG 4.38Å; N472-R475 PolarHBondContact O-N 3.42Å; N472-R475 PolarHBondContact OD1-N 2.9Å; N472-A476 WeakPolarHBondContact O-CB 3.3Å; N472-A476 PolarHBondContact O-N 3.49Å; N472-C496 WeakPolarHBondContact CB-SG 3.42Å; N472-C496 PolarHBondContact N-SG 3.47Å; N472-C496 VanDerWaalsContact N-SG 3.43Å
473	V	81	Confident	75.9	Confident	5 Å²	5	57 Å²	57	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-70	-37.3	-172.4	175.2	0	0	0	0	111.2	I418 W452 T457 L459 W471 R475 A476 M477	I418-V473 HydrophobicContact CD1-CB 4.49Å; I418-V473 HydrophobicContact CD1-CG1 3.57Å; I418-V473 HydrophobicContact CD1-CG2 4.18Å; W452-V473 HydrophobicContact CH2-CB 3.94Å; W452-V473 HydrophobicContact CH2-CG1 3.83Å; W452-V473 HydrophobicContact CH2-CG2 3.65Å; W452-V473 HydrophobicContact CZ3-CB 3.94Å; W452-V473 HydrophobicContact CZ3-CG1 4.31Å; W452-V473 HydrophobicContact CZ3-CG2 3.65Å; T457-V473 PolarHBondContact O-N 2.9Å; L459-V473 HydrophobicContact CB-CG2 3.71Å; L459-V473 HydrophobicContact CD2-CG2 4.22Å; W471-V473 HydrophobicContact CB-CG2 4.43Å; W471-V473 PolarHBondContact O-N 3.12Å; V473-R475 PolarHBondContact O-N 2.67Å; V473-A476 PolarHBondContact O-N 2.94Å; V473-M477 HydrophobicContact CG1-CE 3.34Å; V473-M477 HydrophobicContact CG1-CG 4.15Å; V473-M477 HydrophobicContact CG1-SD 3.97Å; V473-M477 WeakPolarHBondContact O-CB 2.93Å; V473-M477 VanDerWaalsContact O-CG 3.23Å; V473-M477 WeakPolarHBondContact O-CG 3.44Å; V473-M477 PolarHBondContact O-N 3.24Å
474	E	75.7	Confident	73.7	Confident	124 Å²	124	65 Å²	65	58%	0.579	31%	0.314	S	S	*	.	H	α-helix	trans	-62.4	-44.3	177.3	-171.2	-177.6	-178.7	0	0	111.7	N472 M477 T478	N472-E474 PolarHBondContact OD1-N 3.02Å; E474-M477 PolarHBondContact O-N 2.99Å; E474-T478 WeakPolarHBondContact O-CG2 3.14Å; E474-T478 PolarHBondContact O-N 3.46Å; E474-T478 PolarHBondContact O-OG1 3.31Å
475	R	71.2	Confident	71.2	Confident	143 Å²	143	64.5 Å²	64.5	54%	0.54	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173.7	-76.2	-172.4	179	-177.8	3	112.1	N472 V473 M477 T478 S479	N472-R475 HydrophobicContact CB-CB 4.08Å; N472-R475 HydrophobicContact CB-CG 4.38Å; N472-R475 PolarHBondContact O-N 3.42Å; N472-R475 PolarHBondContact OD1-N 2.9Å; V473-R475 PolarHBondContact O-N 2.67Å; R475-M477 VanDerWaalsContact C-N 3.3Å; R475-M477 PolarHBondContact O-N 3.13Å; R475-T478 WeakPolarHBondContact CA-OG1 3.36Å; R475-T478 PolarHBondContact O-N 3.46Å; R475-T478 PolarHBondContact O-OG1 2.97Å; R475-S479 VanDerWaalsContact O-CB 3.31Å; R475-S479 WeakPolarHBondContact O-CB 3.48Å; R475-S479 PolarHBondContact O-N 3.05Å
476	A	67.6	Low	68.6	Low	15 Å²	15	68.3 Å²	68.3	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-39.3	177.6	0	0	0	0	0	111.8	L440 N472 V473 F480 T493	L440-A476 HydrophobicContact CD2-CB 3.59Å; N472-A476 WeakPolarHBondContact O-CB 3.3Å; N472-A476 PolarHBondContact O-N 3.49Å; V473-A476 PolarHBondContact O-N 2.94Å; A476-F480 PolarHBondContact O-N 3.29Å; A476-F480 VanDerWaalsContact O-N 3.13Å; A476-T493 HydrophobicContact CB-CG2 4.2Å
477	M	64.6	Low	65.9	Low	47 Å²	47	70.5 Å²	70.5	23%	0.232	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-43.6	177.4	-73.2	179.3	179.5	0	0	113	I406 I418 I437 V473 E474 R475 S479 F480 K481	I406-M477 HydrophobicContact CD1-CE 4.4Å; I418-M477 HydrophobicContact CB-CE 4.36Å; I418-M477 HydrophobicContact CD1-CE 4.29Å; I418-M477 HydrophobicContact CG2-CE 3.52Å; I437-M477 HydrophobicContact CB-CE 4.17Å; I437-M477 HydrophobicContact CD1-CE 3.93Å; I437-M477 HydrophobicContact CG2-CE 3.72Å; I437-M477 HydrophobicContact CG2-CG 3.95Å; I437-M477 HydrophobicContact CG2-SD 3.83Å; V473-M477 HydrophobicContact CG1-CE 3.34Å; V473-M477 HydrophobicContact CG1-CG 4.15Å; V473-M477 HydrophobicContact CG1-SD 3.97Å; V473-M477 WeakPolarHBondContact O-CB 2.93Å; V473-M477 VanDerWaalsContact O-CG 3.23Å; V473-M477 WeakPolarHBondContact O-CG 3.44Å; V473-M477 PolarHBondContact O-N 3.24Å; E474-M477 PolarHBondContact O-N 2.99Å; R475-M477 VanDerWaalsContact C-N 3.3Å; R475-M477 PolarHBondContact O-N 3.13Å; M477-S479 VanDerWaalsContact C-N 3.35Å; M477-F480 WeakPolarHBondContact O-CB 3.21Å; M477-F480 PolarHBondContact O-N 2.75Å; M477-K481 PolarHBondContact O-N 2.85Å; M477-K481 VanDerWaalsContact O-N 3.08Å
478	T	62.6	Low	63.5	Low	80 Å²	80	74.9 Å²	74.9	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-39.5	177.5	47.4	0	0	0	0	111.7	E474 R475 F480 K481 M482	E474-T478 WeakPolarHBondContact O-CG2 3.14Å; E474-T478 PolarHBondContact O-N 3.46Å; E474-T478 PolarHBondContact O-OG1 3.31Å; R475-T478 WeakPolarHBondContact CA-OG1 3.36Å; R475-T478 PolarHBondContact O-N 3.46Å; R475-T478 PolarHBondContact O-OG1 2.97Å; T478-F480 VanDerWaalsContact C-N 3.34Å; T478-F480 PolarHBondContact O-N 2.99Å; T478-K481 PolarHBondContact O-N 3.44Å; T478-M482 WeakPolarHBondContact O-CG 3.25Å; T478-M482 PolarHBondContact O-N 3.01Å; T478-M482 VanDerWaalsContact O-N 3.17Å
479	S	55.1	Low	60.8	Low	47 Å²	47	79.5 Å²	79.5	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-57.7	-45	170.8	179.2	0	0	0	0	111.8	R475 M477 K481 M482 N483	R475-S479 VanDerWaalsContact O-CB 3.31Å; R475-S479 WeakPolarHBondContact O-CB 3.48Å; R475-S479 PolarHBondContact O-N 3.05Å; M477-S479 VanDerWaalsContact C-N 3.35Å; S479-K481 VanDerWaalsContact C-N 3.34Å; S479-K481 PolarHBondContact O-N 3.48Å; S479-M482 PolarHBondContact O-N 2.87Å; S479-N483 WeakPolarHBondContact O-CB 3.14Å; S479-N483 PolarHBondContact O-N 3.39Å
480	F	54	Low	58.2	Low	80 Å²	80	87 Å²	87	35%	0.351	45%	0.453	S	S	.	.	H	α-helix	trans	-63.2	-36.6	178.4	-163.9	-94.2	0	0	0	113.2	A476 M477 T478 L487	A476-F480 PolarHBondContact O-N 3.29Å; A476-F480 VanDerWaalsContact O-N 3.13Å; M477-F480 WeakPolarHBondContact O-CB 3.21Å; M477-F480 PolarHBondContact O-N 2.75Å; T478-F480 VanDerWaalsContact C-N 3.34Å; T478-F480 PolarHBondContact O-N 2.99Å; F480-L487 HydrophobicContact CE2-CD2 3.71Å; F480-L487 HydrophobicContact CZ-CD2 3.92Å
481	K	53	Low	55.7	Low	182 Å²	182	90.2 Å²	90.2	79%	0.791	48%	0.475	S	S	*	.	H	α-helix	trans	-70.9	-35.7	178.7	-166.4	178	-178.3	-178.1	0	112.7	M477 T478 S479	M477-K481 PolarHBondContact O-N 2.85Å; M477-K481 VanDerWaalsContact O-N 3.08Å; T478-K481 PolarHBondContact O-N 3.44Å; S479-K481 VanDerWaalsContact C-N 3.34Å; S479-K481 PolarHBondContact O-N 3.48Å
482	M	47.4	Very low	53.3	Low	164 Å²	164	94.1 Å²	94.1	81%	0.808	50%	0.5	S	S	*	.	H	α-helix	trans	-79	-37.9	178.9	-67.1	-63.1	-172.7	0	0	112.2	T478 S479 K484	T478-M482 WeakPolarHBondContact O-CG 3.25Å; T478-M482 PolarHBondContact O-N 3.01Å; T478-M482 VanDerWaalsContact O-N 3.17Å; S479-M482 PolarHBondContact O-N 2.87Å; M482-K484 PolarHBondContact O-N 2.78Å
483	N	45.7	Very low	51.7	Low	70 Å²	70	94.3 Å²	94.3	37%	0.374	50%	0.501	S	S	.	.			trans	-95.7	43.1	-175.6	-70.2	-16	0	0	0	113.5	S479 A485 L486	S479-N483 WeakPolarHBondContact O-CB 3.14Å; S479-N483 PolarHBondContact O-N 3.39Å; N483-A485 PolarHBondContact O-N 3.36Å; N483-L486 PolarHBondContact O-N 2.89Å
484	K	47.7	Very low	50.5	Low	169 Å²	169	98.4 Å²	98.4	74%	0.735	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.7	174.4	-159.7	176.7	-179.5	-177.2	0	112.7	M482 L487	M482-K484 PolarHBondContact O-N 2.78Å; K484-L487 HydrophobicContact CG-CD1 4.21Å; K484-L487 WeakPolarHBondContact O-CD1 3.29Å
485	A	42.1	Very low	49.6	Very low	97 Å²	97	93.4 Å²	93.4	80%	0.802	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-20.9	-176.9	0	0	0	0	0	115	N483	N483-A485 PolarHBondContact O-N 3.36Å
486	L	38.1	Very low	49.3	Very low	103 Å²	103	88.3 Å²	88.3	54%	0.539	50%	0.495	S	S	.	.			trans	-107.4	27.4	-176.8	-77.7	166.2	0	0	0	113.1	N483 S488	N483-L486 PolarHBondContact O-N 2.89Å; L486-S488 PolarHBondContact O-N 3.03Å
487	L	36.3	Very low	49.8	Very low	105 Å²	105	88.7 Å²	88.7	55%	0.55	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.3	178.7	-83.3	160	0	0	0	114.1	F480 K484	F480-L487 HydrophobicContact CE2-CD2 3.71Å; F480-L487 HydrophobicContact CZ-CD2 3.92Å; K484-L487 HydrophobicContact CG-CD1 4.21Å; K484-L487 WeakPolarHBondContact O-CD1 3.29Å
488	S	41.5	Very low	50.9	Low	104 Å²	104	89.6 Å²	89.6	73%	0.727	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.3	-174.1	63.6	0	0	0	0	115.2	L486	L486-S488 PolarHBondContact O-N 3.03Å
489	T	36.8	Very low	52.1	Low	98 Å²	98	86 Å²	86	60%	0.601	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.7	104.2	179.4	55	0	0	0	0	111.3	S491	T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact O-N 2.95Å
490	H	36	Very low	53.6	Low	176 Å²	176	91.9 Å²	91.9	82%	0.815	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	25.1	157.8	-63.1	-67.6	0	0	0	120.3	T492	H490-T492 PolarHBondContact O-N 2.97Å
491	S	38.1	Very low	54.9	Low	69 Å²	69	91.1 Å²	91.1	48%	0.483	51%	0.508	S	S	.	.			trans	-69.8	80.6	166.5	-155.7	0	0	0	0	109.6	T489 T493	T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact O-N 2.95Å; S491-T493 PolarHBondContact O-N 3.26Å
492	T	40.3	Very low	56.7	Low	85 Å²	85	83 Å²	83	52%	0.521	47%	0.473	S	S	.	.			trans	-61.7	119.2	176.5	48.1	0	0	0	0	107.4	H490 S494	H490-T492 PolarHBondContact O-N 2.97Å; T492-S494 VanDerWaalsContact C-N 3.32Å; T492-S494 PolarHBondContact O-N 2.78Å
493	T	50.1	Low	58.7	Low	17 Å²	17	79.3 Å²	79.3	10%	0.104	46%	0.463	C	S	.	.			trans	-58.1	103.3	160.7	36.7	0	0	0	0	106.6	I439 L440 Q442 A476 S491 C495	I439-T493 PolarHBondContact O-OG1 3.14Å; L440-T493 HydrophobicContact CD2-CG2 4.44Å; Q442-T493 PolarHBondContact NE2-O 3.28Å; Q442-T493 VanDerWaalsContact NE2-O 3.14Å; A476-T493 HydrophobicContact CB-CG2 4.2Å; S491-T493 PolarHBondContact O-N 3.26Å; T493-C495 PolarHBondContact O-N 2.96Å; T493-C495 VanDerWaalsContact O-N 3.16Å
494	S	57.2	Low	61	Low	92 Å²	92	81.3 Å²	81.3	64%	0.643	47%	0.468	S	S	*	.			trans	-60.4	116.1	-179.4	55.9	0	0	0	0	108.6	Q442 T492	Q442-S494 VanDerWaalsContact NE2-CA 3.27Å; T492-S494 VanDerWaalsContact C-N 3.32Å; T492-S494 PolarHBondContact O-N 2.78Å
495	C	57.3	Low	63.3	Low	18 Å²	18	73.8 Å²	73.8	12%	0.122	44%	0.437	C	S	.	.			trans	-50.4	146	163.1	66.6	0	0	0	0	108.6	Q442 R469 W471 T493 I498	Q442-C495 VanDerWaalsContact CD-N 3.32Å; Q442-C495 PolarHBondContact OE1-SG 3.29Å; R469-C495 HydrophobicContact CB-CB 4.4Å; W471-C495 HydrophobicContact CD2-CB 4.21Å; W471-C495 HydrophobicContact CE3-CB 3.78Å; W471-C495 HydrophobicContact CH2-CB 4.33Å; W471-C495 HydrophobicContact CZ3-CB 3.83Å; T493-C495 PolarHBondContact O-N 2.96Å; T493-C495 VanDerWaalsContact O-N 3.16Å; C495-I498 WeakPolarHBondContact SG-CG1 3.41Å
496	C	64.9	Low	65.9	Low	37 Å²	37	69.2 Å²	69.2	25%	0.25	40%	0.399	C	S	.	.	S	Bend	trans	-72.2	-38.5	179.6	-66.5	0	0	0	0	111	C311 L470 N472	C311-C496 WeakPolarHBondContact SG-CB 3.46Å; L470-C496 PolarHBondContact O-N 2.85Å; N472-C496 WeakPolarHBondContact CB-SG 3.42Å; N472-C496 PolarHBondContact N-SG 3.47Å; N472-C496 VanDerWaalsContact N-SG 3.43Å
497	T	78.1	Confident	68.6	Low	22 Å²	22	65.6 Å²	65.6	14%	0.135	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	146.9	177.3	54.7	0	0	0	0	111.9	R469 L470	R469-T497 WeakPolarHBondContact CA-O 3.37Å; L470-T497 WeakPolarHBondContact CB-OG1 3.34Å; L470-T497 PolarHBondContact N-O 3.29Å; L470-T497 PolarHBondContact O-N 3.5Å
498	I	86.1	Confident	71.4	Confident	67 Å²	67	61.1 Å²	61.1	34%	0.344	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.3	172.1	-51.5	177.2	0	0	0	107.4	T467 I468 R469 C495 R500	T467-I498 HydrophobicContact CG2-CG2 4.15Å; I468-I498 CarbonylContact O-C 3.53Å; I468-I498 WeakPolarHBondContact O-CA 3.34Å; R469-I498 HydrophobicContact CG-CG1 4.34Å; C495-I498 WeakPolarHBondContact SG-CG1 3.41Å; I498-R500 HydrophobicContact CG2-CG 4Å
499	L	87.8	Confident	74	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.2	173	-35.7	176.2	0	0	0	108.3	I468 L518 W530	I468-L499 HydrophobicContact CB-CB 4.01Å; I468-L499 HydrophobicContact CB-CD1 4.22Å; I468-L499 HydrophobicContact CB-CG 4.26Å; I468-L499 HydrophobicContact CD1-CB 4.34Å; I468-L499 HydrophobicContact CG2-CB 4.48Å; I468-L499 HydrophobicContact CG2-CD1 3.8Å; I468-L499 HydrophobicContact CG2-CG 4.2Å; I468-L499 PolarHBondContact N-O 2.98Å; I468-L499 VanDerWaalsContact N-O 3.1Å; I468-L499 PolarHBondContact O-N 3.36Å; L499-L518 HydrophobicContact CD1-CD1 4.1Å; L499-W530 HydrophobicContact CB-CD2 4.27Å; L499-W530 HydrophobicContact CB-CE3 3.81Å; L499-W530 HydrophobicContact CB-CH2 4.47Å; L499-W530 HydrophobicContact CB-CZ3 3.92Å; L499-W530 HydrophobicContact CD1-CB 3.89Å; L499-W530 HydrophobicContact CD1-CD2 4.1Å; L499-W530 HydrophobicContact CD1-CE3 4.15Å; L499-W530 HydrophobicContact CD1-CG 4Å; L499-W530 HydrophobicContact CG-CE3 4.46Å
500	R	87.5	Confident	76.8	Confident	172 Å²	172	53.7 Å²	53.7	65%	0.649	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.7	177.8	-65.1	-175.1	176.9	179.1	-0.8	108.7	T467 I498	T467-R500 HydrophobicContact CG2-CG 4.29Å; I498-R500 HydrophobicContact CG2-CG 4Å
501	G	81.4	Confident	79.4	Confident	63 Å²	63	45.6 Å²	45.6	65%	0.649	27%	0.267	S	S	*	.			trans	170.8	-23	173.4	0	0	0	0	0	113.3
502	H	89.9	Confident	81.8	Confident	13 Å²	13	43.6 Å²	43.6	6%	0.06	25%	0.251	C	S	.	.			trans	-69.1	139.6	167.1	-77.4	-61.7	0	0	0	111.6	V506 T520 S522 D524 T526 C528	H502-V506 HydrophobicContact CB-CG2 3.78Å; H502-T520 PolarHBondContact NE2-OG1 2.7Å; H502-S522 WeakPolarHBondContact ND1-CB 3.5Å; H502-D524 VanDerWaalsContact CA-OD2 3.28Å; H502-D524 WeakPolarHBondContact CA-OD2 3.33Å; H502-D524 WeakPolarHBondContact CB-OD2 3.34Å; H502-D524 IonicContact CE1-OD2 3.98Å; H502-D524 IonicContact CG-OD2 3.75Å; H502-D524 IonicContact ND1-OD1 3.96Å; H502-D524 PolarHBondContact ND1-OD1 3.36Å; H502-D524 IonicContact ND1-OD2 2.92Å; H502-D524 PolarHBondContact ND1-OD2 3.19Å; H502-T526 PolarHBondContact CE1-OG1 3.09Å; H502-T526 PolarHBondContact ND1-OG1 2.82Å; H502-C528 PolarHBondContact CE1-SG 2.93Å
503	S	90.3	Very high	83.9	Confident	86 Å²	86	40.7 Å²	40.7	60%	0.601	23%	0.234	S	C	*	.	S	Bend	trans	-88.9	-12.5	-180	69.2	0	0	0	0	113.3	N466 D524	N466-S503 PolarHBondContact ND2-O 2.53Å; S503-D524 PolarHBondContact N-OD2 3.46Å; S503-D524 VanDerWaalsContact N-OD2 3.07Å; S503-D524 WeakPolarHBondContact OG-CB 3.43Å
504	K	94.5	Very high	85.3	Confident	111 Å²	111	42.9 Å²	42.9	48%	0.483	24%	0.24	S	C	.	.	S	Bend	trans	-141	175.8	-179.8	-64.1	-173.9	-177	-179.3	0	111.1	N466 V506 S522 D524	N466-K504 VanDerWaalsContact CG-C 3.42Å; N466-K504 VanDerWaalsContact OD1-CA 3.3Å; N466-K504 WeakPolarHBondContact OD1-CA 3.49Å; N466-K504 PolarHBondContact OD1-O 2.96Å; K504-V506 PolarHBondContact O-N 2.94Å; K504-S522 PolarHBondContact O-OG 2.78Å; K504-D524 HydrophobicContact CB-CB 4.07Å; K504-D524 HydrophobicContact CG-CB 4.25Å
505	S	94.9	Very high	86.5	Confident	12 Å²	12	38.6 Å²	38.6	8%	0.084	21%	0.211	C	C	.	.			trans	-46	132.4	-177.9	178.2	0	0	0	0	112	W448 N466 N507 S522 S523	W448-S505 PolarHBondContact NE1-OG 3.07Å; N466-S505 WeakPolarHBondContact OD1-CA 3.31Å; N466-S505 PolarHBondContact OD1-N 2.9Å; S505-N507 PolarHBondContact OG-OD1 3.25Å; S505-S522 WeakPolarHBondContact O-CA 3.47Å; S505-S522 WeakPolarHBondContact O-CB 3.47Å; S505-S522 PolarHBondContact O-OG 2.85Å; S505-S523 PolarHBondContact O-N 2.92Å
506	V	96.8	Very high	87.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113	177.5	-173.5	0	0	0	0	108	C462 G463 I468 H502 K504 T520	C462-V506 HydrophobicContact CB-CB 3.83Å; C462-V506 HydrophobicContact CB-CG1 3.6Å; C462-V506 PolarHBondContact SG-O 3Å; G463-V506 PolarHBondContact O-N 3.44Å; G463-V506 VanDerWaalsContact O-N 3.16Å; I468-V506 HydrophobicContact CG1-CG1 4.19Å; I468-V506 HydrophobicContact CG1-CG2 4.4Å; H502-V506 HydrophobicContact CB-CG2 3.78Å; K504-V506 PolarHBondContact O-N 2.94Å; V506-T520 HydrophobicContact CG1-CG2 4.27Å
507	N	95.5	Very high	89	Confident	28 Å²	28	37.8 Å²	37.8	15%	0.15	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-27.4	-168.3	-59.5	-27	0	0	0	112.5	S449 S505 G521 S523 S547 I548	S449-N507 WeakPolarHBondContact CB-O 3.46Å; S505-N507 PolarHBondContact OG-OD1 3.25Å; N507-G521 PolarHBondContact N-O 3.4Å; N507-S523 PolarHBondContact ND2-OG 2.64Å; N507-S547 PolarHBondContact ND2-OG 2.87Å; N507-I548 PolarHBondContact ND2-O 3.14Å
508	S	95.1	Very high	89.7	Confident	11 Å²	11	36.8 Å²	36.8	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.8	-179.1	54.6	0	0	0	0	112.1	T520 G521 G550 A551	S508-T520 VanDerWaalsContact O-CA 3.27Å; S508-T520 WeakPolarHBondContact O-CA 3.38Å; S508-G521 PolarHBondContact N-O 3.07Å; S508-G521 PolarHBondContact O-N 3.17Å; S508-G521 VanDerWaalsContact O-N 3.13Å; S508-G521 PolarHBondContact OG-N 3.42Å; S508-G550 WeakPolarHBondContact OG-CA 3.3Å; S508-A551 PolarHBondContact OG-N 2.99Å
509	I	95.6	Very high	90	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.036	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.5	173.5	-174	155.6	0	0	0	110.2	S449 A460 C462 I468 L518 V519 T520	S449-I509 PolarHBondContact OG-N 3.4Å; A460-I509 HydrophobicContact CB-CD1 3.66Å; A460-I509 HydrophobicContact CB-CG1 4.13Å; C462-I509 HydrophobicContact CB-CB 4.13Å; C462-I509 HydrophobicContact CB-CD1 4.32Å; C462-I509 HydrophobicContact CB-CG2 4.16Å; I468-I509 HydrophobicContact CB-CD1 4.34Å; I468-I509 HydrophobicContact CG1-CD1 4.34Å; I468-I509 HydrophobicContact CG2-CD1 3.23Å; I509-L518 HydrophobicContact CD1-CD2 4.11Å; I509-L518 HydrophobicContact CG1-CD2 3.92Å; I509-V519 WeakPolarHBondContact CA-O 3.42Å; I509-T520 HydrophobicContact CB-CG2 4.12Å; I509-T520 HydrophobicContact CD1-CG2 3.9Å; I509-T520 HydrophobicContact CG1-CG2 3.83Å
510	Q	95	Very high	90.4	Very high	39 Å²	39	33.4 Å²	33.4	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.3	172.8	-158.6	-170.9	12.1	0	0	111	L518 V519	Q510-L518 WeakPolarHBondContact O-CA 3.23Å; Q510-V519 HydrophobicContact CB-CG1 4.02Å; Q510-V519 PolarHBondContact N-O 3.28Å; Q510-V519 PolarHBondContact O-N 3.3Å
511	F	91.9	Very high	90.8	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.7	164.6	-79	-75.4	0	0	0	110.9	L313 N451 H453 A460 L470 I517 L518	L313-F511 HydrophobicContact CD2-CE1 4.28Å; N451-F511 HydrophobicContact CB-CD2 4.46Å; N451-F511 WeakPolarHBondContact O-CE2 3.18Å; N451-F511 PolarHBondContact OD1-N 3.12Å; H453-F511 HydrophobicContact CB-CD2 4.15Å; H453-F511 HydrophobicContact CB-CE2 3.87Å; H453-F511 HydrophobicContact CB-CZ 4.13Å; H453-F511 AromaticContact CD2-CD1 3.85Å; H453-F511 AromaticContact CD2-CE1 3.74Å; A460-F511 HydrophobicContact CB-CD2 4.18Å; A460-F511 HydrophobicContact CB-CE2 3.42Å; A460-F511 VanDerWaalsContact CB-CE2 3.42Å; A460-F511 HydrophobicContact CB-CZ 3.83Å; L470-F511 HydrophobicContact CD2-CZ 3.95Å; F511-I517 CarbonylContact C-O 3.53Å; F511-L518 HydrophobicContact CB-CD2 4.33Å; F511-L518 HydrophobicContact CD1-CD1 4.44Å; F511-L518 HydrophobicContact CD1-CD2 3.3Å; F511-L518 HydrophobicContact CD1-CG 3.62Å; F511-L518 HydrophobicContact CD2-CD2 3.77Å; F511-L518 HydrophobicContact CE1-CD1 3.85Å; F511-L518 HydrophobicContact CE1-CD2 3.37Å; F511-L518 HydrophobicContact CE1-CG 3.53Å; F511-L518 HydrophobicContact CE2-CD2 3.84Å; F511-L518 HydrophobicContact CG-CD2 3.51Å; F511-L518 HydrophobicContact CG-CG 4.33Å; F511-L518 HydrophobicContact CZ-CD1 4.24Å; F511-L518 HydrophobicContact CZ-CD2 3.65Å; F511-L518 HydrophobicContact CZ-CG 4.18Å
512	L	88.6	Confident	91.5	Very high	26 Å²	26	22.2 Å²	22.2	14%	0.136	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.8	164.1	-174.6	135.4	0	0	0	108.5	W454 Y514 G515 I517 F553	W454-L512 WeakPolarHBondContact CZ3-O 3.32Å; L512-Y514 PolarHBondContact O-N 2.83Å; L512-Y514 VanDerWaalsContact O-N 3.08Å; L512-G515 PolarHBondContact O-N 3.43Å; L512-G515 VanDerWaalsContact O-N 3.12Å; L512-I517 HydrophobicContact CB-CB 4.3Å; L512-I517 WeakPolarHBondContact CB-O 3.25Å; L512-I517 PolarHBondContact N-O 3.16Å; L512-F553 HydrophobicContact CB-CD2 3.9Å; L512-F553 HydrophobicContact CB-CE2 3.79Å; L512-F553 HydrophobicContact CB-CG 4.34Å; L512-F553 HydrophobicContact CB-CZ 4.17Å; L512-F553 HydrophobicContact CD1-CD1 3.93Å; L512-F553 HydrophobicContact CD1-CE1 3.85Å; L512-F553 HydrophobicContact CD1-CE2 4.49Å; L512-F553 HydrophobicContact CD1-CG 4.28Å; L512-F553 HydrophobicContact CD1-CZ 4.13Å; L512-F553 HydrophobicContact CG-CG 4.47Å
513	P	82.5	Confident	91.7	Very high	25 Å²	25	23 Å²	23	16%	0.162	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	119.6	178.3	-26.3	34.8	0	0	0	111	G515	P513-G515 PolarHBondContact O-N 2.77Å
514	Y	80.4	Confident	91.8	Very high	62 Å²	62	20.1 Å²	20.1	24%	0.243	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	17.8	179.9	-56.6	-93.9	0	0	0	115.9	H317 N320 P321 L322 W454 L512	H317-Y514 PolarHBondContact N-O 3.36Å; N320-Y514 HydrophobicContact CB-CD2 3.96Å; N320-Y514 HydrophobicContact CB-CE2 4.45Å; N320-Y514 WeakPolarHBondContact OD1-CD2 3.3Å; N320-Y514 WeakPolarHBondContact OD1-CE2 3.39Å; P321-Y514 VanDerWaalsContact CD-CZ 3.49Å; P321-Y514 HydrophobicContact CG-CD1 3.96Å; P321-Y514 HydrophobicContact CG-CD2 4.39Å; P321-Y514 HydrophobicContact CG-CE1 3.38Å; P321-Y514 HydrophobicContact CG-CE2 3.91Å; P321-Y514 HydrophobicContact CG-CG 4.42Å; L322-Y514 HydrophobicContact CG-CE2 4.48Å; W454-Y514 HydrophobicContact CB-CD1 4.45Å; W454-Y514 AromaticContact CD1-CD1 3.68Å; W454-Y514 VanDerWaalsContact CE2-CA 3.49Å; W454-Y514 HydrophobicContact CG-CD1 4.04Å; W454-Y514 HydrophobicContact CG-CG 4.36Å; W454-Y514 VanDerWaalsContact CH2-C 3.46Å; L512-Y514 PolarHBondContact O-N 2.83Å; L512-Y514 VanDerWaalsContact O-N 3.08Å
515	G	82.1	Confident	91.7	Very high	3 Å²	3	19 Å²	19	3%	0.031	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.3	174.4	0	0	0	0	0	115.1	D316 W454 L512 P513 I517	D316-G515 VanDerWaalsContact OD1-CA 3.28Å; D316-G515 WeakPolarHBondContact OD1-CA 3.46Å; W454-G515 WeakPolarHBondContact CH2-O 3.42Å; W454-G515 WeakPolarHBondContact CZ3-O 3.45Å; L512-G515 PolarHBondContact O-N 3.43Å; L512-G515 VanDerWaalsContact O-N 3.12Å; P513-G515 PolarHBondContact O-N 2.77Å; G515-I517 PolarHBondContact O-N 3.37Å
516	N	85.3	Confident	91.6	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	5.8	-162.3	-67.3	-42	0	0	0	115.8	L313 S314 D316 H453 W454 G532 R533	L313-N516 VanDerWaalsContact CB-OD1 3.25Å; L313-N516 WeakPolarHBondContact CB-OD1 3.2Å; L313-N516 HydrophobicContact CD2-CB 3.96Å; L313-N516 VanDerWaalsContact CD2-OD1 3.31Å; L313-N516 WeakPolarHBondContact CD2-OD1 3.11Å; S314-N516 PolarHBondContact O-ND2 2.93Å; D316-N516 PolarHBondContact OD1-N 2.94Å; D316-N516 PolarHBondContact OD1-ND2 3.45Å; H453-N516 PolarHBondContact NE2-OD1 2.79Å; W454-N516 VanDerWaalsContact CH2-OD1 3.31Å; W454-N516 WeakPolarHBondContact CH2-OD1 3.26Å; N516-G532 WeakPolarHBondContact O-CA 3.49Å; N516-G532 PolarHBondContact O-N 3.3Å; N516-R533 HydrophobicContact CB-CG 4.13Å; N516-R533 PolarHBondContact ND2-NH1 2.77Å
517	I	89.3	Confident	91.4	Very high	35 Å²	35	19.4 Å²	19.4	18%	0.179	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.1	-176.2	-54.8	177.8	0	0	0	109.3	F511 L512 G515 L529 W530 F553 F580	F511-I517 CarbonylContact C-O 3.53Å; L512-I517 HydrophobicContact CB-CB 4.3Å; L512-I517 WeakPolarHBondContact CB-O 3.25Å; L512-I517 PolarHBondContact N-O 3.16Å; G515-I517 PolarHBondContact O-N 3.37Å; I517-L529 HydrophobicContact CG2-CB 4.48Å; I517-L529 HydrophobicContact CG2-CD2 4.22Å; I517-W530 CarbonylContact C-O 3.58Å; I517-W530 WeakPolarHBondContact CA-O 3.26Å; I517-W530 WeakPolarHBondContact CG2-O 3.37Å; I517-F553 HydrophobicContact CB-CZ 4.5Å; I517-F553 HydrophobicContact CG2-CZ 3.95Å; I517-F580 HydrophobicContact CD1-CE1 4.27Å; I517-F580 HydrophobicContact CD1-CZ 3.89Å
518	L	92.3	Very high	91.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.7	174.1	-71	153.8	0	0	0	109.7	A460 L470 L499 I509 Q510 F511 L529 W530	A460-L518 HydrophobicContact CB-CD2 3.87Å; L470-L518 HydrophobicContact CD1-CD1 4.05Å; L470-L518 HydrophobicContact CD2-CD1 3.69Å; L470-L518 HydrophobicContact CG-CD1 4.38Å; L499-L518 HydrophobicContact CD1-CD1 4.1Å; I509-L518 HydrophobicContact CD1-CD2 4.11Å; I509-L518 HydrophobicContact CG1-CD2 3.92Å; Q510-L518 WeakPolarHBondContact O-CA 3.23Å; F511-L518 HydrophobicContact CB-CD2 4.33Å; F511-L518 HydrophobicContact CD1-CD1 4.44Å; F511-L518 HydrophobicContact CD1-CD2 3.3Å; F511-L518 HydrophobicContact CD1-CG 3.62Å; F511-L518 HydrophobicContact CD2-CD2 3.77Å; F511-L518 HydrophobicContact CE1-CD1 3.85Å; F511-L518 HydrophobicContact CE1-CD2 3.37Å; F511-L518 HydrophobicContact CE1-CG 3.53Å; F511-L518 HydrophobicContact CE2-CD2 3.84Å; F511-L518 HydrophobicContact CG-CD2 3.51Å; F511-L518 HydrophobicContact CG-CG 4.33Å; F511-L518 HydrophobicContact CZ-CD1 4.24Å; F511-L518 HydrophobicContact CZ-CD2 3.65Å; F511-L518 HydrophobicContact CZ-CG 4.18Å; L518-L529 CarbonylContact O-C 3.48Å; L518-L529 WeakPolarHBondContact O-CA 3.49Å; L518-W530 HydrophobicContact CB-CB 4.17Å; L518-W530 PolarHBondContact N-O 3.32Å; L518-W530 PolarHBondContact O-N 2.94Å
519	V	94.1	Very high	91.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.3	164.9	71.3	0	0	0	0	109.2	I509 Q510 V527 C528 L529 A551 F553 V560	I509-V519 WeakPolarHBondContact CA-O 3.42Å; Q510-V519 HydrophobicContact CB-CG1 4.02Å; Q510-V519 PolarHBondContact N-O 3.28Å; Q510-V519 PolarHBondContact O-N 3.3Å; V519-V527 HydrophobicContact CG2-CG1 3.44Å; V519-V527 VanDerWaalsContact CG2-CG1 3.44Å; V519-C528 WeakPolarHBondContact CA-O 3.5Å; V519-L529 HydrophobicContact CB-CD2 3.92Å; V519-L529 HydrophobicContact CG2-CD2 3.89Å; V519-A551 HydrophobicContact CG1-CB 4.42Å; V519-A551 HydrophobicContact CG2-CB 3.99Å; V519-F553 HydrophobicContact CB-CD2 4.07Å; V519-F553 HydrophobicContact CB-CE1 4.43Å; V519-F553 HydrophobicContact CB-CE2 3.49Å; V519-F553 VanDerWaalsContact CB-CE2 3.49Å; V519-F553 HydrophobicContact CB-CZ 3.71Å; V519-F553 HydrophobicContact CG1-CD2 3.68Å; V519-F553 HydrophobicContact CG1-CE2 3.6Å; V519-F553 HydrophobicContact CG1-CG 4.41Å; V519-F553 HydrophobicContact CG1-CZ 4.26Å; V519-V560 HydrophobicContact CG2-CG1 3.73Å; V519-V560 HydrophobicContact CG2-CG2 4.38Å
520	T	95.9	Very high	90.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.3	175.8	59.5	0	0	0	0	111.8	I468 H502 V506 S508 I509 V527 C528 W530	I468-T520 HydrophobicContact CD1-CG2 3.48Å; I468-T520 VanDerWaalsContact CD1-CG2 3.48Å; I468-T520 HydrophobicContact CG1-CG2 3.92Å; H502-T520 PolarHBondContact NE2-OG1 2.7Å; V506-T520 HydrophobicContact CG1-CG2 4.27Å; S508-T520 VanDerWaalsContact O-CA 3.27Å; S508-T520 WeakPolarHBondContact O-CA 3.38Å; I509-T520 HydrophobicContact CB-CG2 4.12Å; I509-T520 HydrophobicContact CD1-CG2 3.9Å; I509-T520 HydrophobicContact CG1-CG2 3.83Å; T520-V527 CarbonylContact O-C 3.55Å; T520-V527 VanDerWaalsContact O-CA 3.25Å; T520-V527 WeakPolarHBondContact O-CA 3.33Å; T520-V527 WeakPolarHBondContact O-CG1 3.47Å; T520-C528 PolarHBondContact N-O 3.28Å; T520-C528 PolarHBondContact O-N 3.32Å; T520-W530 PolarHBondContact OG1-NE1 2.95Å
521	G	94.9	Very high	90.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.3	173.3	0	0	0	0	0	110.7	N507 S508	N507-G521 PolarHBondContact N-O 3.4Å; S508-G521 PolarHBondContact N-O 3.07Å; S508-G521 PolarHBondContact O-N 3.17Å; S508-G521 VanDerWaalsContact O-N 3.13Å; S508-G521 PolarHBondContact OG-N 3.42Å
522	S	95.8	Very high	89.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	157.6	-176.7	171.4	0	0	0	0	113.2	H502 K504 S505 D524 K525 T526 I548	H502-S522 WeakPolarHBondContact ND1-CB 3.5Å; K504-S522 PolarHBondContact O-OG 2.78Å; S505-S522 WeakPolarHBondContact O-CA 3.47Å; S505-S522 WeakPolarHBondContact O-CB 3.47Å; S505-S522 PolarHBondContact O-OG 2.85Å; S522-D524 WeakPolarHBondContact CB-OD1 3.42Å; S522-D524 PolarHBondContact O-N 2.65Å; S522-D524 PolarHBondContact OG-N 3.05Å; S522-D524 VanDerWaalsContact OG-N 3.08Å; S522-D524 PolarHBondContact OG-OD1 2.86Å; S522-D524 PolarHBondContact OG-OD2 2.87Å; S522-K525 PolarHBondContact O-N 2.81Å; S522-K525 VanDerWaalsContact O-N 3.07Å; S522-T526 PolarHBondContact N-O 3.34Å; S522-I548 PolarHBondContact O-N 3.23Å
523	S	95.2	Very high	89.4	Confident	30 Å²	30	20 Å²	20	21%	0.21	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.2	167.5	-69.1	0	0	0	0	114.3	S505 N507 K525 S547	S505-S523 PolarHBondContact O-N 2.92Å; N507-S523 PolarHBondContact ND2-OG 2.64Å; S523-K525 PolarHBondContact O-N 3.01Å; S523-S547 VanDerWaalsContact CA-OG 3.26Å; S523-S547 WeakPolarHBondContact CA-OG 3.39Å; S523-S547 WeakPolarHBondContact CB-OG 3.39Å; S523-S547 PolarHBondContact OG-OG 2.93Å
524	D	92.6	Very high	89.2	Confident	24 Å²	24	20.5 Å²	20.5	13%	0.128	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1	168.3	68.5	15.2	0	0	0	113.7	H502 S503 K504 S522 T526	H502-D524 VanDerWaalsContact CA-OD2 3.28Å; H502-D524 WeakPolarHBondContact CA-OD2 3.33Å; H502-D524 WeakPolarHBondContact CB-OD2 3.34Å; H502-D524 IonicContact CE1-OD2 3.98Å; H502-D524 IonicContact CG-OD2 3.75Å; H502-D524 IonicContact ND1-OD1 3.96Å; H502-D524 PolarHBondContact ND1-OD1 3.36Å; H502-D524 IonicContact ND1-OD2 2.92Å; H502-D524 PolarHBondContact ND1-OD2 3.19Å; S503-D524 PolarHBondContact N-OD2 3.46Å; S503-D524 VanDerWaalsContact N-OD2 3.07Å; S503-D524 WeakPolarHBondContact OG-CB 3.43Å; K504-D524 HydrophobicContact CB-CB 4.07Å; K504-D524 HydrophobicContact CG-CB 4.25Å; S522-D524 WeakPolarHBondContact CB-OD1 3.42Å; S522-D524 PolarHBondContact O-N 2.65Å; S522-D524 PolarHBondContact OG-N 3.05Å; S522-D524 VanDerWaalsContact OG-N 3.08Å; S522-D524 PolarHBondContact OG-OD1 2.86Å; S522-D524 PolarHBondContact OG-OD2 2.87Å; D524-T526 VanDerWaalsContact C-N 3.26Å; D524-T526 VanDerWaalsContact CG-OG1 3.24Å; D524-T526 PolarHBondContact O-N 3.07Å; D524-T526 WeakPolarHBondContact OD1-CB 3.36Å; D524-T526 PolarHBondContact OD1-N 2.73Å; D524-T526 PolarHBondContact OD1-OG1 2.67Å; D524-T526 PolarHBondContact OD2-OG1 2.92Å
525	K	91.9	Very high	89.1	Confident	88 Å²	88	18.5 Å²	18.5	38%	0.383	10%	0.099	S	C	.	.	S	Bend	trans	72.7	16.8	177.2	-35.6	179.7	-180	-173.9	0	113.7	S522 S523 H544 T545 H546	S522-K525 PolarHBondContact O-N 2.81Å; S522-K525 VanDerWaalsContact O-N 3.07Å; S523-K525 PolarHBondContact O-N 3.01Å; K525-H544 HydrophobicContact CB-CB 4.46Å; K525-T545 WeakPolarHBondContact CD-O 3.34Å; K525-T545 WeakPolarHBondContact CE-O 3.35Å; K525-T545 PolarHBondContact NZ-O 2.79Å; K525-H546 WeakPolarHBondContact CB-O 3.39Å; K525-H546 VanDerWaalsContact CG-O 3.22Å; K525-H546 WeakPolarHBondContact CG-O 3.41Å
526	T	91.6	Very high	89.1	Confident	20 Å²	20	22.8 Å²	22.8	12%	0.123	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	176	72.3	0	0	0	0	111.8	H502 S522 D524 T540 L542 I548	H502-T526 PolarHBondContact CE1-OG1 3.09Å; H502-T526 PolarHBondContact ND1-OG1 2.82Å; S522-T526 PolarHBondContact N-O 3.34Å; D524-T526 VanDerWaalsContact C-N 3.26Å; D524-T526 VanDerWaalsContact CG-OG1 3.24Å; D524-T526 PolarHBondContact O-N 3.07Å; D524-T526 WeakPolarHBondContact OD1-CB 3.36Å; D524-T526 PolarHBondContact OD1-N 2.73Å; D524-T526 PolarHBondContact OD1-OG1 2.67Å; D524-T526 PolarHBondContact OD2-OG1 2.92Å; T526-T540 HydrophobicContact CG2-CG2 4.03Å; T526-L542 HydrophobicContact CG2-CD1 4.06Å; T526-I548 WeakPolarHBondContact O-CD1 3.04Å
527	V	93.2	Very high	89.1	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.5	166.6	-177.5	0	0	0	0	107.1	V519 T520 T540 F541 I548 A551 V560	V519-V527 HydrophobicContact CG2-CG1 3.44Å; V519-V527 VanDerWaalsContact CG2-CG1 3.44Å; T520-V527 CarbonylContact O-C 3.55Å; T520-V527 VanDerWaalsContact O-CA 3.25Å; T520-V527 WeakPolarHBondContact O-CA 3.33Å; T520-V527 WeakPolarHBondContact O-CG1 3.47Å; V527-T540 CarbonylContact O-C 3.6Å; V527-F541 HydrophobicContact CB-CB 4.1Å; V527-F541 HydrophobicContact CB-CD2 3.93Å; V527-F541 HydrophobicContact CG1-CD2 3.96Å; V527-F541 PolarHBondContact N-O 2.97Å; V527-F541 WeakPolarHBondContact O-CD2 3.47Å; V527-F541 PolarHBondContact O-N 3.22Å; V527-I548 HydrophobicContact CG2-CD1 3.57Å; V527-I548 HydrophobicContact CG2-CG1 4.39Å; V527-I548 HydrophobicContact CG2-CG2 4.35Å; V527-A551 HydrophobicContact CG1-CB 3.9Å; V527-A551 HydrophobicContact CG2-CB 4.47Å; V527-V560 HydrophobicContact CG1-CG1 4.07Å
528	C	92.4	Very high	88.9	Confident	5 Å²	5	27.5 Å²	27.5	3%	0.034	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.8	-180	-71.2	0	0	0	0	110.9	H502 V519 T520 W530 H539 T540	H502-C528 PolarHBondContact CE1-SG 2.93Å; V519-C528 WeakPolarHBondContact CA-O 3.5Å; T520-C528 PolarHBondContact N-O 3.28Å; T520-C528 PolarHBondContact O-N 3.32Å; C528-W530 HydrophobicContact CB-CZ2 3.96Å; C528-W530 VanDerWaalsContact CB-NE1 3.31Å; C528-H539 CarbonylContact C-O 3.59Å; C528-H539 WeakPolarHBondContact CA-O 3.38Å; C528-T540 PolarHBondContact SG-OG1 3.4Å; C528-T540 VanDerWaalsContact SG-OG1 3.42Å
529	L	91.7	Very high	88.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	167.5	-68.8	178	0	0	0	108.8	I517 L518 V519 C537 E538 H539 F541 F553 V560 L574 F580	I517-L529 HydrophobicContact CG2-CB 4.48Å; I517-L529 HydrophobicContact CG2-CD2 4.22Å; L518-L529 CarbonylContact O-C 3.48Å; L518-L529 WeakPolarHBondContact O-CA 3.49Å; V519-L529 HydrophobicContact CB-CD2 3.92Å; V519-L529 HydrophobicContact CG2-CD2 3.89Å; L529-C537 CarbonylContact O-C 3.52Å; L529-C537 WeakPolarHBondContact O-CA 3.3Å; L529-E538 PolarHBondContact O-N 3.26Å; L529-H539 HydrophobicContact CB-CB 4.27Å; L529-H539 HydrophobicContact CD1-CB 4.21Å; L529-H539 PolarHBondContact N-O 3Å; L529-H539 PolarHBondContact O-N 2.7Å; L529-F541 HydrophobicContact CD1-CE2 3.62Å; L529-F541 HydrophobicContact CD1-CZ 3.7Å; L529-F541 HydrophobicContact CD2-CE2 4.37Å; L529-F541 HydrophobicContact CG-CE2 3.69Å; L529-F541 HydrophobicContact CG-CZ 4.29Å; L529-F553 HydrophobicContact CD2-CE1 3.81Å; L529-F553 HydrophobicContact CD2-CZ 3.49Å; L529-F553 VanDerWaalsContact CD2-CZ 3.49Å; L529-V560 HydrophobicContact CD2-CG2 4.11Å; L529-L574 HydrophobicContact CD1-CD2 3.75Å; L529-F580 HydrophobicContact CD1-CE2 3.66Å; L529-F580 HydrophobicContact CD1-CZ 3.94Å
530	W	90.7	Very high	88.3	Confident	4 Å²	4	33 Å²	33	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.7	179.7	-51.2	81.3	0	0	0	109.9	I468 L499 I517 L518 T520 C528 L536 C537	I468-W530 HydrophobicContact CD1-CD2 4.27Å; I468-W530 HydrophobicContact CD1-CZ2 3.89Å; L499-W530 HydrophobicContact CB-CD2 4.27Å; L499-W530 HydrophobicContact CB-CE3 3.81Å; L499-W530 HydrophobicContact CB-CH2 4.47Å; L499-W530 HydrophobicContact CB-CZ3 3.92Å; L499-W530 HydrophobicContact CD1-CB 3.89Å; L499-W530 HydrophobicContact CD1-CD2 4.1Å; L499-W530 HydrophobicContact CD1-CE3 4.15Å; L499-W530 HydrophobicContact CD1-CG 4Å; L499-W530 HydrophobicContact CG-CE3 4.46Å; I517-W530 CarbonylContact C-O 3.58Å; I517-W530 WeakPolarHBondContact CA-O 3.26Å; I517-W530 WeakPolarHBondContact CG2-O 3.37Å; L518-W530 HydrophobicContact CB-CB 4.17Å; L518-W530 PolarHBondContact N-O 3.32Å; L518-W530 PolarHBondContact O-N 2.94Å; T520-W530 PolarHBondContact OG1-NE1 2.95Å; C528-W530 HydrophobicContact CB-CZ2 3.96Å; C528-W530 VanDerWaalsContact CB-NE1 3.31Å; W530-L536 VanDerWaalsContact CA-O 3.29Å; W530-L536 WeakPolarHBondContact CA-O 3.33Å; W530-C537 HydrophobicContact CD2-CB 4.24Å; W530-C537 HydrophobicContact CE3-CB 3.78Å; W530-C537 HydrophobicContact CH2-CB 3.95Å; W530-C537 HydrophobicContact CZ2-CB 4.39Å; W530-C537 HydrophobicContact CZ3-CB 3.63Å
531	D	84.5	Confident	87.9	Confident	33 Å²	33	33.3 Å²	33.3	18%	0.176	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.8	163.9	168.3	28.7	0	0	0	109	R533 S534 G535 L536 E538	D531-R533 PolarHBondContact O-N 2.83Å; D531-R533 WeakPolarHBondContact OD1-CB 3.35Å; D531-R533 PolarHBondContact OD1-N 3.28Å; D531-S534 WeakPolarHBondContact CB-OG 3.13Å; D531-S534 WeakPolarHBondContact OD2-CB 3.01Å; D531-S534 PolarHBondContact OD2-N 3.01Å; D531-S534 PolarHBondContact OD2-OG 2.88Å; D531-G535 VanDerWaalsContact O-CA 3.3Å; D531-G535 WeakPolarHBondContact O-CA 3.23Å; D531-G535 PolarHBondContact O-N 2.79Å; D531-L536 PolarHBondContact N-O 2.88Å; D531-E538 HydrophobicContact CB-CG 3.98Å
532	G	80.7	Confident	87.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.7	-179.6	0	0	0	0	0	114.1	L313 N516	L313-G532 WeakPolarHBondContact CD1-O 3.3Å; N516-G532 WeakPolarHBondContact O-CA 3.49Å; N516-G532 PolarHBondContact O-N 3.3Å
533	R	80.5	Confident	86.8	Confident	89 Å²	89	41.2 Å²	41.2	34%	0.336	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-52.5	179	-54.8	-178.9	77.4	88.9	11.9	111.8	F310 D312 L313 S314 N516 D531	F310-R533 WeakPolarHBondContact CD1-O 3.26Å; D312-R533 IonicContact OD1-NH2 2.67Å; L313-R533 HydrophobicContact CB-CG 4.24Å; L313-R533 HydrophobicContact CD1-CG 4.32Å; L313-R533 VanDerWaalsContact O-CZ 3.26Å; L313-R533 PolarHBondContact O-NH1 3.29Å; L313-R533 PolarHBondContact O-NH2 2.71Å; L313-R533 VanDerWaalsContact O-NH2 3.14Å; S314-R533 PolarHBondContact O-NH1 2.91Å; S314-R533 VanDerWaalsContact O-NH1 3.1Å; N516-R533 HydrophobicContact CB-CG 4.13Å; N516-R533 PolarHBondContact ND2-NH1 2.77Å; D531-R533 PolarHBondContact O-N 2.83Å; D531-R533 WeakPolarHBondContact OD1-CB 3.35Å; D531-R533 PolarHBondContact OD1-N 3.28Å
534	S	77.8	Confident	86.3	Confident	34 Å²	34	40.3 Å²	40.3	24%	0.238	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-25.1	-179.5	63.1	0	0	0	0	113	D531 L536	D531-S534 WeakPolarHBondContact CB-OG 3.13Å; D531-S534 WeakPolarHBondContact OD2-CB 3.01Å; D531-S534 PolarHBondContact OD2-N 3.01Å; D531-S534 PolarHBondContact OD2-OG 2.88Å; S534-L536 PolarHBondContact O-N 3.49Å; S534-L536 PolarHBondContact OG-N 2.92Å
535	G	79.5	Confident	85.9	Confident	21 Å²	21	42.6 Å²	42.6	22%	0.216	23%	0.234	C	C	.	.			trans	70.6	16.3	-171.7	0	0	0	0	0	113.9	D531	D531-G535 VanDerWaalsContact O-CA 3.3Å; D531-G535 WeakPolarHBondContact O-CA 3.23Å; D531-G535 PolarHBondContact O-N 2.79Å
536	L	81.5	Confident	85.8	Confident	92 Å²	92	41 Å²	41	48%	0.482	23%	0.228	S	C	.	.			trans	-90.3	149.6	178.3	-62.9	174.1	0	0	0	111	W530 D531 S534 E538	W530-L536 VanDerWaalsContact CA-O 3.29Å; W530-L536 WeakPolarHBondContact CA-O 3.33Å; D531-L536 PolarHBondContact N-O 2.88Å; S534-L536 PolarHBondContact O-N 3.49Å; S534-L536 PolarHBondContact OG-N 2.92Å; L536-E538 PolarHBondContact O-N 2.92Å
537	C	85.2	Confident	85.8	Confident	45 Å²	45	41.3 Å²	41.3	30%	0.304	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	109.4	166.5	-172.8	0	0	0	0	107.9	L529 W530 H539 T540	L529-C537 CarbonylContact O-C 3.52Å; L529-C537 WeakPolarHBondContact O-CA 3.3Å; W530-C537 HydrophobicContact CD2-CB 4.24Å; W530-C537 HydrophobicContact CE3-CB 3.78Å; W530-C537 HydrophobicContact CH2-CB 3.95Å; W530-C537 HydrophobicContact CZ2-CB 4.39Å; W530-C537 HydrophobicContact CZ3-CB 3.63Å; C537-H539 PolarHBondContact SG-O 3.4Å; C537-T540 PolarHBondContact SG-OG1 3.13Å; C537-T540 VanDerWaalsContact SG-OG1 3.39Å
538	E	84.3	Confident	85.8	Confident	93 Å²	93	41.3 Å²	41.3	44%	0.435	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-37.9	178.8	-70.9	-64.8	142.9	0	0	111.2	L529 D531 L536	L529-E538 PolarHBondContact O-N 3.26Å; D531-E538 HydrophobicContact CB-CG 3.98Å; L536-E538 PolarHBondContact O-N 2.92Å
539	H	85.3	Confident	85.9	Confident	53 Å²	53	43 Å²	43	25%	0.245	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148	-178.4	-158.1	68.3	0	0	0	112.6	C528 L529 C537 F541 M577	C528-H539 CarbonylContact C-O 3.59Å; C528-H539 WeakPolarHBondContact CA-O 3.38Å; L529-H539 HydrophobicContact CB-CB 4.27Å; L529-H539 HydrophobicContact CD1-CB 4.21Å; L529-H539 PolarHBondContact N-O 3Å; L529-H539 PolarHBondContact O-N 2.7Å; C537-H539 PolarHBondContact SG-O 3.4Å; H539-F541 AromaticContact CD2-CD1 3.57Å; H539-F541 AromaticContact CD2-CE1 3.35Å; H539-F541 WeakPolarHBondContact CD2-CE1 3.32Å; H539-F541 AromaticContact CD2-CZ 3.72Å; H539-F541 AromaticContact NE2-CD1 3.85Å; H539-F541 AromaticContact NE2-CE1 3.81Å; H539-M577 PolarHBondContact NE2-SD 3.29Å; H539-M577 VanDerWaalsContact NE2-SD 3.42Å
540	T	88.6	Confident	86	Confident	62 Å²	62	43.3 Å²	43.3	38%	0.38	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.6	175.8	-58.2	0	0	0	0	109.1	T526 V527 C528 C537 L542	T526-T540 HydrophobicContact CG2-CG2 4.03Å; V527-T540 CarbonylContact O-C 3.6Å; C528-T540 PolarHBondContact SG-OG1 3.4Å; C528-T540 VanDerWaalsContact SG-OG1 3.42Å; C537-T540 PolarHBondContact SG-OG1 3.13Å; C537-T540 VanDerWaalsContact SG-OG1 3.39Å; T540-L542 PolarHBondContact O-N 2.76Å
541	F	88.2	Confident	86.2	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.4	175.1	-57.8	-71.8	0	0	0	110.3	V527 L529 H539 V560 W572 L574 M577	V527-F541 HydrophobicContact CB-CB 4.1Å; V527-F541 HydrophobicContact CB-CD2 3.93Å; V527-F541 HydrophobicContact CG1-CD2 3.96Å; V527-F541 PolarHBondContact N-O 2.97Å; V527-F541 WeakPolarHBondContact O-CD2 3.47Å; V527-F541 PolarHBondContact O-N 3.22Å; L529-F541 HydrophobicContact CD1-CE2 3.62Å; L529-F541 HydrophobicContact CD1-CZ 3.7Å; L529-F541 HydrophobicContact CD2-CE2 4.37Å; L529-F541 HydrophobicContact CG-CE2 3.69Å; L529-F541 HydrophobicContact CG-CZ 4.29Å; H539-F541 AromaticContact CD2-CD1 3.57Å; H539-F541 AromaticContact CD2-CE1 3.35Å; H539-F541 WeakPolarHBondContact CD2-CE1 3.32Å; H539-F541 AromaticContact CD2-CZ 3.72Å; H539-F541 AromaticContact NE2-CD1 3.85Å; H539-F541 AromaticContact NE2-CE1 3.81Å; F541-V560 HydrophobicContact CE2-CB 4.49Å; F541-V560 HydrophobicContact CE2-CG2 4.37Å; F541-W572 HydrophobicContact CB-CD2 3.99Å; F541-W572 HydrophobicContact CB-CE3 4Å; F541-W572 HydrophobicContact CB-CH2 3.89Å; F541-W572 HydrophobicContact CB-CZ2 3.88Å; F541-W572 HydrophobicContact CB-CZ3 3.95Å; F541-W572 HydrophobicContact CD1-CB 4.35Å; F541-W572 AromaticContact CD1-CD2 3.76Å; F541-W572 HydrophobicContact CD1-CD2 3.76Å; F541-W572 AromaticContact CD1-CE3 3.47Å; F541-W572 HydrophobicContact CD1-CE3 3.47Å; F541-W572 VanDerWaalsContact CD1-CE3 3.47Å; F541-W572 HydrophobicContact CD1-CG 4.15Å; F541-W572 HydrophobicContact CD1-CZ3 4.03Å; F541-W572 HydrophobicContact CE1-CB 4.12Å; F541-W572 HydrophobicContact CE1-CD2 4.41Å; F541-W572 HydrophobicContact CE1-CE3 4.21Å; F541-W572 HydrophobicContact CE1-CG 4.4Å; F541-W572 AromaticContact CG-CD2 3.88Å; F541-W572 HydrophobicContact CG-CD2 3.88Å; F541-W572 AromaticContact CG-CE3 3.96Å; F541-W572 HydrophobicContact CG-CE3 3.96Å; F541-W572 HydrophobicContact CG-CG 4.24Å; F541-W572 HydrophobicContact CG-CZ3 4.37Å; F541-W572 HydrophobicContact CZ-CB 4.33Å; F541-L574 HydrophobicContact CE1-CD2 4.5Å; F541-L574 HydrophobicContact CE2-CD2 4.38Å; F541-L574 HydrophobicContact CZ-CD2 3.6Å; F541-M577 HydrophobicContact CE1-SD 3.94Å
542	L	87.8	Confident	86.6	Confident	137 Å²	137	42.5 Å²	42.5	72%	0.717	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.3	174.5	-165.4	71.4	0	0	0	110.4	T526 T540 W572	T526-L542 HydrophobicContact CG2-CD1 4.06Å; T540-L542 PolarHBondContact O-N 2.76Å; L542-W572 WeakPolarHBondContact O-CH2 3.35Å
543	G	79.2	Confident	87.2	Confident	30 Å²	30	42.6 Å²	42.6	31%	0.309	24%	0.239	S	C	.	.			trans	160.4	-19.9	162.7	0	0	0	0	0	114.4	R570	G543-R570 PolarHBondContact O-NH1 2.93Å; G543-R570 PolarHBondContact O-NH2 2.99Å
544	H	84.6	Confident	87.5	Confident	10 Å²	10	38.4 Å²	38.4	5%	0.046	22%	0.223	C	C	.	.			trans	-62.3	144.5	175.9	-75	-71.5	0	0	0	111.2	K525 I548 S562 D564 R570	K525-H544 HydrophobicContact CB-CB 4.46Å; H544-I548 HydrophobicContact CB-CD1 4.37Å; H544-I548 HydrophobicContact CB-CG1 4.13Å; H544-S562 WeakPolarHBondContact NE2-CB 3.48Å; H544-S562 PolarHBondContact NE2-OG 2.86Å; H544-D564 IonicContact ND1-OD2 3.68Å; H544-R570 VanDerWaalsContact CE1-CD 3.4Å; H544-R570 WeakPolarHBondContact CE1-CD 3.42Å; H544-R570 VanDerWaalsContact CE1-CG 3.5Å; H544-R570 WeakPolarHBondContact CE1-CG 3.32Å; H544-R570 PolarHBondContact ND1-NE 3.24Å
545	T	85.3	Confident	87.8	Confident	72 Å²	72	37.5 Å²	37.5	44%	0.442	22%	0.215	S	C	.	.	S	Bend	trans	-99.7	-20.4	-178.2	52.3	0	0	0	0	112.3	K525	K525-T545 WeakPolarHBondContact CD-O 3.34Å; K525-T545 WeakPolarHBondContact CE-O 3.35Å; K525-T545 PolarHBondContact NZ-O 2.79Å
546	H	88.7	Confident	87.8	Confident	55 Å²	55	41 Å²	41	26%	0.255	23%	0.226	S	C	.	.	S	Bend	trans	-119.7	-172.9	176.1	-46.8	-79.8	0	0	0	111.8	K525 D564 S565	K525-H546 WeakPolarHBondContact CB-O 3.39Å; K525-H546 VanDerWaalsContact CG-O 3.22Å; K525-H546 WeakPolarHBondContact CG-O 3.41Å; H546-D564 VanDerWaalsContact CA-OD1 3.24Å; H546-D564 WeakPolarHBondContact CA-OD1 3.23Å; H546-D564 WeakPolarHBondContact CA-OD2 3.36Å; H546-D564 WeakPolarHBondContact CB-OD1 3.45Å; H546-D564 VanDerWaalsContact CB-OD2 3.3Å; H546-D564 WeakPolarHBondContact CB-OD2 3.39Å; H546-D564 IonicContact CD2-OD2 3.47Å; H546-D564 IonicContact CG-OD2 2.7Å; H546-D564 PolarHBondContact N-OD2 2.84Å; H546-D564 VanDerWaalsContact O-OD1 3.08Å; H546-S565 VanDerWaalsContact CB-OG 3.27Å; H546-S565 WeakPolarHBondContact CB-OG 3.31Å
547	S	92.1	Very high	87.6	Confident	27 Å²	27	37.1 Å²	37.1	19%	0.189	21%	0.208	C	C	.	.			trans	-75.1	126	-177.1	173.4	0	0	0	0	110.7	N507 S523 N549 D564 S565	N507-S547 PolarHBondContact ND2-OG 2.87Å; S523-S547 VanDerWaalsContact CA-OG 3.26Å; S523-S547 WeakPolarHBondContact CA-OG 3.39Å; S523-S547 WeakPolarHBondContact CB-OG 3.39Å; S523-S547 PolarHBondContact OG-OG 2.93Å; S547-N549 PolarHBondContact O-N 3.37Å; S547-N549 PolarHBondContact O-OD1 3.34Å; S547-D564 PolarHBondContact N-OD1 3.32Å; S547-S565 WeakPolarHBondContact O-CB 3.31Å; S547-S565 PolarHBondContact O-N 3.02Å
548	I	94.4	Very high	87.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.1	177.2	-62.5	150.8	0	0	0	108.6	N507 S522 T526 V527 H544 G550 C563	N507-I548 PolarHBondContact ND2-O 3.14Å; S522-I548 PolarHBondContact O-N 3.23Å; T526-I548 WeakPolarHBondContact O-CD1 3.04Å; V527-I548 HydrophobicContact CG2-CD1 3.57Å; V527-I548 HydrophobicContact CG2-CG1 4.39Å; V527-I548 HydrophobicContact CG2-CG2 4.35Å; H544-I548 HydrophobicContact CB-CD1 4.37Å; H544-I548 HydrophobicContact CB-CG1 4.13Å; I548-G550 WeakPolarHBondContact CG2-O 3.46Å; I548-C563 WeakPolarHBondContact CA-O 3.32Å; I548-C563 WeakPolarHBondContact CG2-O 3.45Å
549	N	93.9	Very high	87.8	Confident	39 Å²	39	32.8 Å²	32.8	21%	0.209	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-34.6	178.8	-72.6	-8.6	0	0	0	111.2	S547 C563 I652	S547-N549 PolarHBondContact O-N 3.37Å; S547-N549 PolarHBondContact O-OD1 3.34Å; N549-C563 PolarHBondContact N-O 3.46Å; N549-I652 WeakPolarHBondContact CB-O 3.18Å; N549-I652 PolarHBondContact ND2-O 3.27Å
550	G	92.7	Very high	88.1	Confident	7 Å²	7	30.2 Å²	30.2	7%	0.072	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.3	-177.6	0	0	0	0	0	112.5	S508 I548 S562 C563	S508-G550 WeakPolarHBondContact OG-CA 3.3Å; I548-G550 WeakPolarHBondContact CG2-O 3.46Å; G550-S562 CarbonylContact O-C 3.6Å; G550-S562 VanDerWaalsContact O-CA 3.28Å; G550-S562 WeakPolarHBondContact O-CA 3.26Å; G550-C563 VanDerWaalsContact CA-SG 3.56Å; G550-C563 PolarHBondContact N-SG 3.49Å; G550-C563 PolarHBondContact O-N 3.26Å
551	A	94.6	Very high	88.3	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.4	167.6	0	0	0	0	0	108.9	S508 V519 V527 I561	S508-A551 PolarHBondContact OG-N 2.99Å; V519-A551 HydrophobicContact CG1-CB 4.42Å; V519-A551 HydrophobicContact CG2-CB 3.99Å; V527-A551 HydrophobicContact CG1-CB 3.9Å; V527-A551 HydrophobicContact CG2-CB 4.47Å; A551-I561 CarbonylContact C-O 3.59Å; A551-I561 VanDerWaalsContact CA-O 3.26Å; A551-I561 WeakPolarHBondContact CA-O 3.11Å
552	I	94.7	Very high	88.5	Confident	20 Å²	20	27 Å²	27	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155	-178.4	68	172.8	0	0	0	111.8	V560 I561 L655 I657	I552-V560 CarbonylContact O-C 3.58Å; I552-V560 WeakPolarHBondContact O-CA 3.4Å; I552-I561 HydrophobicContact CG1-CB 4.06Å; I552-I561 PolarHBondContact N-O 3.46Å; I552-I561 PolarHBondContact O-N 3.46Å; I552-L655 HydrophobicContact CD1-CD1 3.55Å; I552-L655 HydrophobicContact CD1-CG 3.83Å; I552-L655 HydrophobicContact CG1-CD1 3.56Å; I552-L655 HydrophobicContact CG1-CG 4.02Å; I552-L655 HydrophobicContact CG2-CG 4.32Å; I552-I657 HydrophobicContact CD1-CB 4.05Å; I552-I657 HydrophobicContact CD1-CG2 3.86Å
553	F	91.9	Very high	88.7	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	152.3	165.7	-72.6	-74	0	0	0	111.2	L512 I517 V519 L529 V560 L574	L512-F553 HydrophobicContact CB-CD2 3.9Å; L512-F553 HydrophobicContact CB-CE2 3.79Å; L512-F553 HydrophobicContact CB-CG 4.34Å; L512-F553 HydrophobicContact CB-CZ 4.17Å; L512-F553 HydrophobicContact CD1-CD1 3.93Å; L512-F553 HydrophobicContact CD1-CE1 3.85Å; L512-F553 HydrophobicContact CD1-CE2 4.49Å; L512-F553 HydrophobicContact CD1-CG 4.28Å; L512-F553 HydrophobicContact CD1-CZ 4.13Å; L512-F553 HydrophobicContact CG-CG 4.47Å; I517-F553 HydrophobicContact CB-CZ 4.5Å; I517-F553 HydrophobicContact CG2-CZ 3.95Å; V519-F553 HydrophobicContact CB-CD2 4.07Å; V519-F553 HydrophobicContact CB-CE1 4.43Å; V519-F553 HydrophobicContact CB-CE2 3.49Å; V519-F553 VanDerWaalsContact CB-CE2 3.49Å; V519-F553 HydrophobicContact CB-CZ 3.71Å; V519-F553 HydrophobicContact CG1-CD2 3.68Å; V519-F553 HydrophobicContact CG1-CE2 3.6Å; V519-F553 HydrophobicContact CG1-CG 4.41Å; V519-F553 HydrophobicContact CG1-CZ 4.26Å; L529-F553 HydrophobicContact CD2-CE1 3.81Å; L529-F553 HydrophobicContact CD2-CZ 3.49Å; L529-F553 VanDerWaalsContact CD2-CZ 3.49Å; F553-V560 HydrophobicContact CD1-CG2 3.62Å; F553-V560 HydrophobicContact CE1-CG2 3.46Å; F553-V560 VanDerWaalsContact CE1-CG2 3.46Å; F553-V560 HydrophobicContact CZ-CG2 4.38Å; F553-L574 HydrophobicContact CE1-CD1 4.1Å
554	N	87.2	Confident	89.2	Confident	1 Å²	1	19 Å²	19	1%	0.005	11%	0.106	C	C	.	.			trans	-70.8	158.4	158.9	72.5	-22.1	0	0	0	111.1	Q556 G557 T558 N559 I657	N554-Q556 PolarHBondContact O-N 2.99Å; N554-Q556 VanDerWaalsContact O-N 3.11Å; N554-G557 PolarHBondContact O-N 2.84Å; N554-G557 VanDerWaalsContact OD1-C 3.3Å; N554-G557 VanDerWaalsContact OD1-CA 3.29Å; N554-G557 WeakPolarHBondContact OD1-CA 3.27Å; N554-G557 PolarHBondContact OD1-N 3.19Å; N554-T558 PolarHBondContact ND2-OG1 3.29Å; N554-T558 PolarHBondContact OD1-N 2.75Å; N554-N559 HydrophobicContact CB-CB 4.42Å; N554-N559 PolarHBondContact N-O 3.07Å; N554-N559 PolarHBondContact OD1-N 3.05Å; N554-N559 PolarHBondContact OD1-O 2.81Å; N554-I657 HydrophobicContact CB-CD1 3.96Å
555	Q	83.9	Confident	89.4	Confident	15 Å²	15	20.3 Å²	20.3	7%	0.07	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.5	-176.2	-64.9	-63.6	-23.3	0	0	113.6	N320 L659 Y700	N320-Q555 WeakPolarHBondContact CB-O 3.37Å; N320-Q555 PolarHBondContact ND2-O 2.89Å; N320-Q555 PolarHBondContact ND2-OE1 3.35Å; Q555-L659 HydrophobicContact CG-CD2 4.04Å; Q555-Y700 PolarHBondContact NE2-OH 2.76Å
556	Q	79	Confident	89.4	Confident	95 Å²	95	17.1 Å²	17.1	44%	0.444	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.6	173.2	-58.6	-177	-1.7	0	0	113.8	L323 N554 T558	L323-Q556 HydrophobicContact CD1-CB 4.46Å; L323-Q556 HydrophobicContact CD1-CG 3.97Å; L323-Q556 HydrophobicContact CD2-CG 3.98Å; N554-Q556 PolarHBondContact O-N 2.99Å; N554-Q556 VanDerWaalsContact O-N 3.11Å; Q556-T558 VanDerWaalsContact C-N 3.31Å; Q556-T558 HydrophobicContact CB-CG2 3.89Å; Q556-T558 PolarHBondContact O-N 2.73Å
557	G	79.4	Confident	89.2	Confident	10 Å²	10	14.6 Å²	14.6	10%	0.103	9%	0.086	C	C	.	.	S	Bend	trans	70.6	18.4	-177.5	0	0	0	0	0	115.6	N554	N554-G557 PolarHBondContact O-N 2.84Å; N554-G557 VanDerWaalsContact OD1-C 3.3Å; N554-G557 VanDerWaalsContact OD1-CA 3.29Å; N554-G557 WeakPolarHBondContact OD1-CA 3.27Å; N554-G557 PolarHBondContact OD1-N 3.19Å
558	T	83.2	Confident	89	Confident	19 Å²	19	16 Å²	16	12%	0.117	9%	0.089	C	C	.	.	S	Bend	trans	-95.5	-28.5	-177.3	73.8	0	0	0	0	113	N554 Q556 L574	N554-T558 PolarHBondContact ND2-OG1 3.29Å; N554-T558 PolarHBondContact OD1-N 2.75Å; Q556-T558 VanDerWaalsContact C-N 3.31Å; Q556-T558 HydrophobicContact CB-CG2 3.89Å; Q556-T558 PolarHBondContact O-N 2.73Å; T558-L574 VanDerWaalsContact O-CB 3.22Å; T558-L574 WeakPolarHBondContact O-CB 3.42Å; T558-L574 WeakPolarHBondContact O-CG 3.25Å; T558-L574 PolarHBondContact O-N 2.89Å
559	N	88.6	Confident	88.8	Confident	28 Å²	28	16 Å²	16	15%	0.15	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.8	-173.3	-59.4	-9.8	0	0	0	110.1	N554 L571 W572	N554-N559 HydrophobicContact CB-CB 4.42Å; N554-N559 PolarHBondContact N-O 3.07Å; N554-N559 PolarHBondContact OD1-N 3.05Å; N554-N559 PolarHBondContact OD1-O 2.81Å; N559-L571 HydrophobicContact CB-CD1 3.58Å; N559-W572 CarbonylContact C-O 3.56Å; N559-W572 WeakPolarHBondContact CA-O 3.43Å
560	V	91.4	Very high	88.6	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.2	168.5	171.7	0	0	0	0	108.3	V519 V527 L529 F541 I552 F553 L571 W572 L574	V519-V560 HydrophobicContact CG2-CG1 3.73Å; V519-V560 HydrophobicContact CG2-CG2 4.38Å; V527-V560 HydrophobicContact CG1-CG1 4.07Å; L529-V560 HydrophobicContact CD2-CG2 4.11Å; F541-V560 HydrophobicContact CE2-CB 4.49Å; F541-V560 HydrophobicContact CE2-CG2 4.37Å; I552-V560 CarbonylContact O-C 3.58Å; I552-V560 WeakPolarHBondContact O-CA 3.4Å; F553-V560 HydrophobicContact CD1-CG2 3.62Å; F553-V560 HydrophobicContact CE1-CG2 3.46Å; F553-V560 VanDerWaalsContact CE1-CG2 3.46Å; F553-V560 HydrophobicContact CZ-CG2 4.38Å; V560-L571 WeakPolarHBondContact O-CA 3.48Å; V560-W572 HydrophobicContact CB-CB 4.19Å; V560-W572 PolarHBondContact N-O 3.45Å; V560-W572 PolarHBondContact O-N 3.31Å; V560-L574 HydrophobicContact CG2-CD1 4.16Å; V560-L574 HydrophobicContact CG2-CD2 3.92Å; V560-L574 HydrophobicContact CG2-CG 4.27Å
561	I	93.1	Very high	88.6	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.5	175.6	-58	159.5	0	0	0	107.9	A551 I552 I569 R570 L571 L655 I657 I664	A551-I561 CarbonylContact C-O 3.59Å; A551-I561 VanDerWaalsContact CA-O 3.26Å; A551-I561 WeakPolarHBondContact CA-O 3.11Å; I552-I561 HydrophobicContact CG1-CB 4.06Å; I552-I561 PolarHBondContact N-O 3.46Å; I552-I561 PolarHBondContact O-N 3.46Å; I561-I569 HydrophobicContact CG2-CG2 3.54Å; I561-R570 CarbonylContact C-O 3.59Å; I561-R570 WeakPolarHBondContact CA-O 3.4Å; I561-L571 HydrophobicContact CD1-CD1 4Å; I561-L571 HydrophobicContact CG1-CD1 3.36Å; I561-L655 HydrophobicContact CB-CD1 3.8Å; I561-L655 HydrophobicContact CG2-CD1 3.25Å; I561-I657 HydrophobicContact CD1-CB 4.32Å; I561-I657 HydrophobicContact CD1-CD1 3.3Å; I561-I657 HydrophobicContact CD1-CG1 4.33Å; I561-I664 HydrophobicContact CD1-CD1 3.68Å; I561-I664 HydrophobicContact CD1-CG1 3.86Å; I561-I664 HydrophobicContact CG1-CD1 4.18Å; I561-I664 HydrophobicContact CG2-CD1 4.01Å; I561-I664 HydrophobicContact CG2-CG2 4.49Å
562	S	93.3	Very high	88.3	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.2	-179.5	50.8	0	0	0	0	110.5	H544 G550 I569 R570 W572	H544-S562 WeakPolarHBondContact NE2-CB 3.48Å; H544-S562 PolarHBondContact NE2-OG 2.86Å; G550-S562 CarbonylContact O-C 3.6Å; G550-S562 VanDerWaalsContact O-CA 3.28Å; G550-S562 WeakPolarHBondContact O-CA 3.26Å; S562-I569 CarbonylContact O-C 3.57Å; S562-I569 WeakPolarHBondContact O-CA 3.38Å; S562-R570 PolarHBondContact N-O 2.84Å; S562-R570 PolarHBondContact O-N 3.45Å; S562-R570 PolarHBondContact OG-O 3.47Å; S562-W572 PolarHBondContact OG-NE1 3.09Å
563	C	92.2	Very high	87.8	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.2	174.9	70.3	0	0	0	0	111.5	I548 N549 G550 F568 I652 L655	I548-C563 WeakPolarHBondContact CA-O 3.32Å; I548-C563 WeakPolarHBondContact CG2-O 3.45Å; N549-C563 PolarHBondContact N-O 3.46Å; G550-C563 VanDerWaalsContact CA-SG 3.56Å; G550-C563 PolarHBondContact N-SG 3.49Å; G550-C563 PolarHBondContact O-N 3.26Å; C563-F568 WeakPolarHBondContact CA-O 3.28Å; C563-I652 HydrophobicContact CB-CB 3.79Å; C563-I652 HydrophobicContact CB-CD1 3.87Å; C563-I652 HydrophobicContact CB-CG1 4.46Å; C563-I652 HydrophobicContact CB-CG2 3.54Å; C563-L655 HydrophobicContact CB-CD2 3.69Å; C563-L655 WeakPolarHBondContact SG-CD2 3.3Å
564	D	90.2	Very high	87.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155	-176.8	-162.1	3.5	0	0	0	111.2	H544 H546 S547 G566 G567 F568	H544-D564 IonicContact ND1-OD2 3.68Å; H546-D564 VanDerWaalsContact CA-OD1 3.24Å; H546-D564 WeakPolarHBondContact CA-OD1 3.23Å; H546-D564 WeakPolarHBondContact CA-OD2 3.36Å; H546-D564 WeakPolarHBondContact CB-OD1 3.45Å; H546-D564 VanDerWaalsContact CB-OD2 3.3Å; H546-D564 WeakPolarHBondContact CB-OD2 3.39Å; H546-D564 IonicContact CD2-OD2 3.47Å; H546-D564 IonicContact CG-OD2 2.7Å; H546-D564 PolarHBondContact N-OD2 2.84Å; H546-D564 VanDerWaalsContact O-OD1 3.08Å; S547-D564 PolarHBondContact N-OD1 3.32Å; D564-G566 PolarHBondContact O-N 3.22Å; D564-G567 PolarHBondContact O-N 2.88Å; D564-F568 HydrophobicContact CB-CB 4.4Å; D564-F568 PolarHBondContact N-O 3.2Å
565	S	88.2	Confident	86.6	Confident	37 Å²	37	27 Å²	27	26%	0.259	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-3.3	173	81.6	0	0	0	0	113.3	H546 S547 G651	H546-S565 VanDerWaalsContact CB-OG 3.27Å; H546-S565 WeakPolarHBondContact CB-OG 3.31Å; S547-S565 WeakPolarHBondContact O-CB 3.31Å; S547-S565 PolarHBondContact O-N 3.02Å; S565-G651 WeakPolarHBondContact O-CA 3.41Å
566	G	84.7	Confident	85.8	Confident	5 Å²	5	32.5 Å²	32.5	5%	0.052	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2	175	0	0	0	0	0	115.3	D564 N613	D564-G566 PolarHBondContact O-N 3.22Å; G566-N613 PolarHBondContact O-ND2 3.43Å; G566-N613 VanDerWaalsContact O-ND2 3.17Å
567	G	84.5	Confident	85	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	84	16.7	-177.7	0	0	0	0	0	114.5	D564 L612 L650	D564-G567 PolarHBondContact O-N 2.88Å; G567-L612 PolarHBondContact O-N 3.13Å; G567-L612 VanDerWaalsContact O-N 3.08Å; G567-L650 PolarHBondContact N-O 2.91Å
568	F	88.1	Confident	83.7	Confident	56 Å²	56	35.4 Å²	35.4	25%	0.246	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.2	176.5	-65.9	-80.4	0	0	0	110.9	C563 D564 F610 D611	C563-F568 WeakPolarHBondContact CA-O 3.28Å; D564-F568 HydrophobicContact CB-CB 4.4Å; D564-F568 PolarHBondContact N-O 3.2Å; F568-F610 WeakPolarHBondContact CA-O 3.27Å; F568-D611 HydrophobicContact CD1-CB 3.97Å; F568-D611 HydrophobicContact CE1-CB 3.74Å
569	I	90.5	Very high	82	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.2	168.1	-57.2	170.2	0	0	0	107.6	I561 S562 C609 F610 L612 I652 I664 A666 V676	I561-I569 HydrophobicContact CG2-CG2 3.54Å; S562-I569 CarbonylContact O-C 3.57Å; S562-I569 WeakPolarHBondContact O-CA 3.38Å; I569-C609 CarbonylContact O-C 3.57Å; I569-C609 WeakPolarHBondContact O-CA 3.24Å; I569-F610 HydrophobicContact CB-CB 4.27Å; I569-F610 HydrophobicContact CB-CD2 4.46Å; I569-F610 HydrophobicContact CG2-CD2 4.38Å; I569-F610 PolarHBondContact N-O 3.17Å; I569-F610 PolarHBondContact O-N 3.15Å; I569-L612 HydrophobicContact CD1-CD1 4.14Å; I569-L612 HydrophobicContact CD1-CD2 4.18Å; I569-L612 HydrophobicContact CD1-CG 4.26Å; I569-I652 HydrophobicContact CD1-CD1 4.18Å; I569-I652 HydrophobicContact CG1-CD1 3.5Å; I569-I652 VanDerWaalsContact CG1-CD1 3.5Å; I569-I664 HydrophobicContact CG2-CD1 4.44Å; I569-A666 HydrophobicContact CD1-CB 3.6Å; I569-V676 HydrophobicContact CD1-CG2 4.27Å
570	R	90.5	Very high	79.9	Confident	39 Å²	39	41.8 Å²	41.8	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.4	175.4	-66.4	-172.9	-172.2	-159	3.5	110.4	G543 H544 I561 S562 W572 P607 T608 C609	G543-R570 PolarHBondContact O-NH1 2.93Å; G543-R570 PolarHBondContact O-NH2 2.99Å; H544-R570 VanDerWaalsContact CE1-CD 3.4Å; H544-R570 WeakPolarHBondContact CE1-CD 3.42Å; H544-R570 VanDerWaalsContact CE1-CG 3.5Å; H544-R570 WeakPolarHBondContact CE1-CG 3.32Å; H544-R570 PolarHBondContact ND1-NE 3.24Å; I561-R570 CarbonylContact C-O 3.59Å; I561-R570 WeakPolarHBondContact CA-O 3.4Å; S562-R570 PolarHBondContact N-O 2.84Å; S562-R570 PolarHBondContact O-N 3.45Å; S562-R570 PolarHBondContact OG-O 3.47Å; R570-W572 HydrophobicContact CB-CZ2 4.23Å; R570-P607 HydrophobicContact CB-CB 4.14Å; R570-P607 HydrophobicContact CB-CG 4.48Å; R570-P607 HydrophobicContact CG-CG 4.44Å; R570-T608 WeakPolarHBondContact CA-O 3.22Å; R570-C609 HydrophobicContact CG-CB 4.32Å
571	L	91.1	Very high	77.1	Confident	15 Å²	15	45.4 Å²	45.4	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.5	174.3	171.7	81.4	0	0	0	108.3	N559 V560 I561 P607 T608 F610 I678	N559-L571 HydrophobicContact CB-CD1 3.58Å; V560-L571 WeakPolarHBondContact O-CA 3.48Å; I561-L571 HydrophobicContact CD1-CD1 4Å; I561-L571 HydrophobicContact CG1-CD1 3.36Å; L571-P607 WeakPolarHBondContact O-CA 3.46Å; L571-P607 WeakPolarHBondContact O-CB 3.24Å; L571-T608 VanDerWaalsContact CB-OG1 3.31Å; L571-T608 WeakPolarHBondContact CB-OG1 3.18Å; L571-T608 WeakPolarHBondContact CD2-OG1 3.41Å; L571-T608 PolarHBondContact N-O 2.91Å; L571-T608 PolarHBondContact O-N 3.47Å; L571-T608 VanDerWaalsContact O-N 3.09Å; L571-T608 PolarHBondContact O-OG1 2.89Å; L571-F610 HydrophobicContact CB-CE2 4.4Å; L571-I678 HydrophobicContact CD2-CG2 3.85Å
572	W	89.4	Confident	74.6	Confident	16 Å²	16	51.8 Å²	51.8	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120	179.5	-49.4	90.1	0	0	0	107.9	F541 L542 N559 V560 S562 R570 P607	F541-W572 HydrophobicContact CB-CD2 3.99Å; F541-W572 HydrophobicContact CB-CE3 4Å; F541-W572 HydrophobicContact CB-CH2 3.89Å; F541-W572 HydrophobicContact CB-CZ2 3.88Å; F541-W572 HydrophobicContact CB-CZ3 3.95Å; F541-W572 HydrophobicContact CD1-CB 4.35Å; F541-W572 AromaticContact CD1-CD2 3.76Å; F541-W572 HydrophobicContact CD1-CD2 3.76Å; F541-W572 AromaticContact CD1-CE3 3.47Å; F541-W572 HydrophobicContact CD1-CE3 3.47Å; F541-W572 VanDerWaalsContact CD1-CE3 3.47Å; F541-W572 HydrophobicContact CD1-CG 4.15Å; F541-W572 HydrophobicContact CD1-CZ3 4.03Å; F541-W572 HydrophobicContact CE1-CB 4.12Å; F541-W572 HydrophobicContact CE1-CD2 4.41Å; F541-W572 HydrophobicContact CE1-CE3 4.21Å; F541-W572 HydrophobicContact CE1-CG 4.4Å; F541-W572 AromaticContact CG-CD2 3.88Å; F541-W572 HydrophobicContact CG-CD2 3.88Å; F541-W572 AromaticContact CG-CE3 3.96Å; F541-W572 HydrophobicContact CG-CE3 3.96Å; F541-W572 HydrophobicContact CG-CG 4.24Å; F541-W572 HydrophobicContact CG-CZ3 4.37Å; F541-W572 HydrophobicContact CZ-CB 4.33Å; L542-W572 WeakPolarHBondContact O-CH2 3.35Å; N559-W572 CarbonylContact C-O 3.56Å; N559-W572 WeakPolarHBondContact CA-O 3.43Å; V560-W572 HydrophobicContact CB-CB 4.19Å; V560-W572 PolarHBondContact N-O 3.45Å; V560-W572 PolarHBondContact O-N 3.31Å; S562-W572 PolarHBondContact OG-NE1 3.09Å; R570-W572 HydrophobicContact CB-CZ2 4.23Å; W572-P607 HydrophobicContact CD2-CB 3.8Å; W572-P607 HydrophobicContact CD2-CG 4.41Å; W572-P607 HydrophobicContact CE3-CB 3.62Å; W572-P607 HydrophobicContact CE3-CG 3.98Å; W572-P607 HydrophobicContact CG-CB 4.49Å; W572-P607 HydrophobicContact CH2-CB 4.04Å; W572-P607 HydrophobicContact CH2-CG 3.56Å; W572-P607 HydrophobicContact CZ2-CB 4.2Å; W572-P607 HydrophobicContact CZ2-CG 4.02Å; W572-P607 HydrophobicContact CZ3-CB 3.75Å; W572-P607 HydrophobicContact CZ3-CG 3.54Å
573	D	83.2	Confident	71.6	Confident	49 Å²	49	60 Å²	60	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.2	175.7	-173.9	-7.6	0	0	0	108.7	R575 K576	D573-R575 PolarHBondContact O-N 3.43Å; D573-R575 WeakPolarHBondContact OD1-CB 3.23Å; D573-R575 PolarHBondContact OD1-N 2.86Å; D573-K576 HydrophobicContact CB-CD 4.13Å; D573-K576 HydrophobicContact CB-CG 4.19Å; D573-K576 PolarHBondContact O-N 3.36Å; D573-K576 WeakPolarHBondContact OD2-CE 3.45Å
574	L	80.3	Confident	68.9	Low	4 Å²	4	67 Å²	67	2%	0.021	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-68.7	-26.8	-179	-58.1	177	0	0	0	111	L529 F541 F553 T558 V560 K576 M577 F580	L529-L574 HydrophobicContact CD1-CD2 3.75Å; F541-L574 HydrophobicContact CE1-CD2 4.5Å; F541-L574 HydrophobicContact CE2-CD2 4.38Å; F541-L574 HydrophobicContact CZ-CD2 3.6Å; F553-L574 HydrophobicContact CE1-CD1 4.1Å; T558-L574 VanDerWaalsContact O-CB 3.22Å; T558-L574 WeakPolarHBondContact O-CB 3.42Å; T558-L574 WeakPolarHBondContact O-CG 3.25Å; T558-L574 PolarHBondContact O-N 2.89Å; V560-L574 HydrophobicContact CG2-CD1 4.16Å; V560-L574 HydrophobicContact CG2-CD2 3.92Å; V560-L574 HydrophobicContact CG2-CG 4.27Å; L574-K576 VanDerWaalsContact C-N 3.26Å; L574-K576 PolarHBondContact O-N 3.18Å; L574-M577 WeakPolarHBondContact O-CB 3.47Å; L574-M577 PolarHBondContact O-N 3.27Å; L574-F580 HydrophobicContact CB-CD1 3.96Å; L574-F580 HydrophobicContact CB-CE1 4.35Å; L574-F580 HydrophobicContact CB-CG 4.39Å; L574-F580 HydrophobicContact CD1-CD1 4.43Å; L574-F580 HydrophobicContact CD1-CE1 3.98Å; L574-F580 HydrophobicContact CD1-CZ 4.41Å; L574-F580 WeakPolarHBondContact O-CB 3.15Å
575	R	73.8	Confident	65.9	Low	176 Å²	176	74.4 Å²	74.4	66%	0.664	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.9	-26.2	-178.2	-58.3	172.8	176	175.1	-1.2	113.1	D573 M577	D573-R575 PolarHBondContact O-N 3.43Å; D573-R575 WeakPolarHBondContact OD1-CB 3.23Å; D573-R575 PolarHBondContact OD1-N 2.86Å; R575-M577 PolarHBondContact O-N 3.28Å
576	K	67	Low	63	Low	131 Å²	131	80.1 Å²	80.1	57%	0.57	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-78.6	-7.7	178.5	-69.1	-177.3	-176.1	176.7	0	113.1	D573 L574 D578 C605	D573-K576 HydrophobicContact CB-CD 4.13Å; D573-K576 HydrophobicContact CB-CG 4.19Å; D573-K576 PolarHBondContact O-N 3.36Å; D573-K576 WeakPolarHBondContact OD2-CE 3.45Å; L574-K576 VanDerWaalsContact C-N 3.26Å; L574-K576 PolarHBondContact O-N 3.18Å; K576-D578 PolarHBondContact O-N 2.95Å; K576-C605 PolarHBondContact O-SG 3.35Å; K576-C605 VanDerWaalsContact O-SG 3.36Å
577	M	63	Low	60.5	Low	27 Å²	27	83.4 Å²	83.4	13%	0.133	42%	0.415	C	S	.	.	S	Bend	trans	-81	118.3	177.1	-58.7	-90.5	78.3	0	0	108.4	H539 F541 L574 R575 H579 F580 C605	H539-M577 PolarHBondContact NE2-SD 3.29Å; H539-M577 VanDerWaalsContact NE2-SD 3.42Å; F541-M577 HydrophobicContact CE1-SD 3.94Å; L574-M577 WeakPolarHBondContact O-CB 3.47Å; L574-M577 PolarHBondContact O-N 3.27Å; R575-M577 PolarHBondContact O-N 3.28Å; M577-H579 PolarHBondContact O-N 3.46Å; M577-F580 HydrophobicContact CB-CB 3.74Å; M577-F580 HydrophobicContact CG-CB 4.48Å; M577-F580 PolarHBondContact O-N 2.87Å; M577-C605 HydrophobicContact CE-CB 3.44Å; M577-C605 VanDerWaalsContact CE-CB 3.44Å; M577-C605 WeakPolarHBondContact CE-SG 3.4Å
578	D	50.6	Low	57.6	Low	140 Å²	140	87.9 Å²	87.9	75%	0.749	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-12.5	178	-71.7	-25.4	0	0	0	113.9	K576	K576-D578 PolarHBondContact O-N 2.95Å
579	H	49.1	Very low	54.6	Low	141 Å²	141	89.5 Å²	89.5	65%	0.653	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	1.4	179	-66.3	-42.5	0	0	0	114.9	M577	M577-H579 PolarHBondContact O-N 3.46Å
580	F	43.9	Very low	51.3	Low	39 Å²	39	98.6 Å²	98.6	17%	0.171	50%	0.495	C	S	.	.			trans	-113.1	46.9	-179.3	-134.6	-84	0	0	0	111.1	I517 L529 L574 M577 L582	I517-F580 HydrophobicContact CD1-CE1 4.27Å; I517-F580 HydrophobicContact CD1-CZ 3.89Å; L529-F580 HydrophobicContact CD1-CE2 3.66Å; L529-F580 HydrophobicContact CD1-CZ 3.94Å; L574-F580 HydrophobicContact CB-CD1 3.96Å; L574-F580 HydrophobicContact CB-CE1 4.35Å; L574-F580 HydrophobicContact CB-CG 4.39Å; L574-F580 HydrophobicContact CD1-CD1 4.43Å; L574-F580 HydrophobicContact CD1-CE1 3.98Å; L574-F580 HydrophobicContact CD1-CZ 4.41Å; L574-F580 WeakPolarHBondContact O-CB 3.15Å; M577-F580 HydrophobicContact CB-CB 3.74Å; M577-F580 HydrophobicContact CG-CB 4.48Å; M577-F580 PolarHBondContact O-N 2.87Å; F580-L582 PolarHBondContact O-N 3.25Å
581	S	32.4	Very low	48.3	Very low	76 Å²	76	103.1 Å²	103.1	53%	0.531	52%	0.52	S	S	.	.			trans	-69.5	116.8	164.5	51.5	0	0	0	0	108.5	E583	S581-E583 CarbonylContact O-C 3.48Å; S581-E583 PolarHBondContact O-N 2.79Å
582	L	40.1	Very low	45	Very low	135 Å²	135	111.2 Å²	111.2	71%	0.707	55%	0.554	S	S	*	*	S	Bend	trans	-60.3	-0.4	170.9	-142.3	95.3	0	0	0	113	F580 I584	F580-L582 PolarHBondContact O-N 3.25Å; L582-I584 PolarHBondContact O-N 3.45Å
583	E	30.6	Very low	41.8	Very low	172 Å²	172	117.9 Å²	117.9	80%	0.804	59%	0.588	S	S	*	*			trans	-89.8	73.2	166.2	-63.1	-172.3	172.3	0	0	110.2	S581 N585	S581-E583 CarbonylContact O-C 3.48Å; S581-E583 PolarHBondContact O-N 2.79Å; E583-N585 VanDerWaalsContact C-N 3.26Å; E583-N585 PolarHBondContact O-N 3.46Å
584	I	36	Very low	39.1	Very low	148 Å²	148	121.2 Å²	121.2	76%	0.759	61%	0.612	S	S	*	*			trans	-78.1	82.7	175.3	-55.5	171.8	0	0	0	108.7	L582	L582-I584 PolarHBondContact O-N 3.45Å
585	N	27.6	Very low	36.5	Very low	154 Å²	154	127.2 Å²	127.2	82%	0.824	64%	0.644	S	S	*	*			trans	-131.8	57.9	158.1	-93.2	-26.8	0	0	0	108.1	E583	E583-N585 VanDerWaalsContact C-N 3.26Å; E583-N585 PolarHBondContact O-N 3.46Å
586	L	26.6	Very low	34.4	Very low	157 Å²	157	128.1 Å²	128.1	82%	0.822	66%	0.656	S	S	*	*			trans	-168.7	125.3	152.5	-128.8	79.4	0	0	0	110.6
587	P	31.8	Very low	32.5	Very low	75 Å²	75	128.2 Å²	128.2	49%	0.487	66%	0.662	S	S	.	*			trans	-86.6	137	169.6	32.9	-26.6	0	0	0	109.2
588	T	23.6	Very low	30.8	Very low	95 Å²	95	133.8 Å²	133.8	58%	0.583	69%	0.693	S	S	*	*			trans	131.4	93	153.7	-54.6	0	0	0	0	112.1
589	V	24.6	Very low	29.9	Very low	90 Å²	90	135.4 Å²	135.4	55%	0.545	70%	0.701	S	S	.	*			trans	-128.4	110	142.4	-177.7	0	0	0	0	107	M591	V589-M591 PolarHBondContact O-N 3.42Å; V589-M591 VanDerWaalsContact O-N 3.12Å
590	K	22.5	Very low	28.8	Very low	192 Å²	192	135.5 Å²	135.5	84%	0.835	71%	0.712	S	S	*	*			trans	-67.8	103.5	172.2	-71.7	177.3	175.2	179.1	0	107.7	K592	K590-K592 PolarHBondContact O-N 2.88Å
591	M	26.6	Very low	28	Very low	133 Å²	133	137 Å²	137	66%	0.655	74%	0.738	S	S	*	*			trans	-74	110.5	164.3	-78.5	-168.9	71.8	0	0	109	V589	V589-M591 PolarHBondContact O-N 3.42Å; V589-M591 VanDerWaalsContact O-N 3.12Å
592	K	21.6	Very low	27.9	Very low	186 Å²	186	140.5 Å²	140.5	81%	0.809	75%	0.746	S	S	*	*			trans	-79.9	120.1	165.7	-158.3	177.1	-176.2	-176.1	0	106.4	K590	K590-K592 PolarHBondContact O-N 2.88Å
593	M	23.1	Very low	27.6	Very low	156 Å²	156	139.4 Å²	139.4	77%	0.768	75%	0.745	S	S	*	*			trans	-50.3	133.1	171.1	-77.1	-78.7	154.7	0	0	108.8	N595	M593-N595 PolarHBondContact O-N 3.2Å
594	P	26.9	Very low	27.8	Very low	119 Å²	119	137.7 Å²	137.7	77%	0.773	73%	0.734	S	S	*	*			trans	-64.9	104.4	179.5	24	-30.1	0	0	0	108.8
595	N	25.8	Very low	28.2	Very low	129 Å²	129	132.8 Å²	132.8	69%	0.69	71%	0.713	S	S	*	*			trans	-64.1	140.7	160.3	-77.9	-6.2	0	0	0	107.3	M593 D597	M593-N595 PolarHBondContact O-N 3.2Å; N595-D597 PolarHBondContact O-N 2.96Å
596	H	29.9	Very low	29.5	Very low	196 Å²	196	132.4 Å²	132.4	91%	0.907	71%	0.71	S	S	*	*	S	Bend	trans	-65.1	17.2	-170	-110.5	-70.9	0	0	0	116.4
597	D	25.7	Very low	31.8	Very low	132 Å²	132	126.1 Å²	126.1	71%	0.706	68%	0.679	S	S	*	*			trans	-125.1	119.8	-175.4	-66.5	-36	0	0	0	112.3	N595	N595-D597 PolarHBondContact O-N 2.96Å
598	N	27.1	Very low	34	Very low	145 Å²	145	126 Å²	126	78%	0.775	68%	0.676	S	S	*	*			trans	72.4	103	156.4	-60.5	-27	0	0	0	119.4	V600	N598-V600 PolarHBondContact O-N 3.15Å
599	N	31.8	Very low	36.8	Very low	173 Å²	173	125.4 Å²	125.4	93%	0.925	68%	0.675	S	S	*	*			trans	19.4	86.3	142.2	-69.6	-14.4	0	0	0	117.3
600	V	27.8	Very low	39.5	Very low	143 Å²	143	122.3 Å²	122.3	87%	0.867	66%	0.655	S	S	*	*			trans	-134.6	110.4	160.2	-177.9	0	0	0	0	109.1	N598	N598-V600 PolarHBondContact O-N 3.15Å
601	G	27.1	Very low	42.3	Very low	70 Å²	70	114.8 Å²	114.8	72%	0.722	62%	0.624	S	S	*	*			trans	29.5	86.9	161.2	0	0	0	0	0	118.6	V603	G601-V603 PolarHBondContact O-N 2.83Å; G601-V603 VanDerWaalsContact O-N 3.11Å
602	E	29.1	Very low	44.8	Very low	150 Å²	150	108.7 Å²	108.7	70%	0.701	59%	0.594	S	S	*	*			trans	-63.2	107.2	164	-67.9	177.8	137.8	0	0	110.1	K604	E602-K604 HydrophobicContact CB-CG 4.14Å; E602-K604 PolarHBondContact O-N 3.43Å; E602-K604 IonicContact OE1-NZ 3.83Å; E602-K604 WeakPolarHBondContact OE2-CE 3.25Å; E602-K604 IonicContact OE2-NZ 3.62Å; E602-K604 PolarHBondContact OE2-NZ 3.2Å
603	V	33.3	Very low	47.3	Very low	112 Å²	112	102 Å²	102	68%	0.679	57%	0.567	S	S	*	*			trans	-73.5	82.3	166.3	-177.1	0	0	0	0	107.9	G601 C605	G601-V603 PolarHBondContact O-N 2.83Å; G601-V603 VanDerWaalsContact O-N 3.11Å; V603-C605 PolarHBondContact O-N 3.33Å; V603-C605 VanDerWaalsContact O-N 3.1Å
604	K	35.2	Very low	49.3	Very low	136 Å²	136	100.9 Å²	100.9	59%	0.591	56%	0.558	S	S	*	*			trans	-77.1	83.2	173.9	-77.7	174.6	168.1	148.7	0	109.9	E602 L606	E602-K604 HydrophobicContact CB-CG 4.14Å; E602-K604 PolarHBondContact O-N 3.43Å; E602-K604 IonicContact OE1-NZ 3.83Å; E602-K604 WeakPolarHBondContact OE2-CE 3.25Å; E602-K604 IonicContact OE2-NZ 3.62Å; E602-K604 PolarHBondContact OE2-NZ 3.2Å; K604-L606 HydrophobicContact CB-CD2 4.44Å; K604-L606 HydrophobicContact CB-CG 4.31Å; K604-L606 PolarHBondContact O-N 2.78Å
605	C	43.7	Very low	51	Low	46 Å²	46	96.3 Å²	96.3	31%	0.311	53%	0.527	S	S	.	.			trans	-69.1	93.7	149.3	-69.8	0	0	0	0	106.7	K576 M577 V603 P607	K576-C605 PolarHBondContact O-SG 3.35Å; K576-C605 VanDerWaalsContact O-SG 3.36Å; M577-C605 HydrophobicContact CE-CB 3.44Å; M577-C605 VanDerWaalsContact CE-CB 3.44Å; M577-C605 WeakPolarHBondContact CE-SG 3.4Å; V603-C605 PolarHBondContact O-N 3.33Å; V603-C605 VanDerWaalsContact O-N 3.1Å; C605-P607 WeakPolarHBondContact O-CD 3.42Å
606	L	56.3	Low	52.4	Low	145 Å²	145	92.7 Å²	92.7	76%	0.759	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62.7	118.5	178.9	-71.7	165.4	0	0	0	108.6	K604	K604-L606 HydrophobicContact CB-CD2 4.44Å; K604-L606 HydrophobicContact CB-CG 4.31Å; K604-L606 PolarHBondContact O-N 2.78Å
607	P	75.2	Confident	53.4	Low	26 Å²	26	90.8 Å²	90.8	17%	0.169	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-64.8	148.5	175.6	28	-35.4	0	0	0	110.1	R570 L571 W572 C605 C609	R570-P607 HydrophobicContact CB-CB 4.14Å; R570-P607 HydrophobicContact CB-CG 4.48Å; R570-P607 HydrophobicContact CG-CG 4.44Å; L571-P607 WeakPolarHBondContact O-CA 3.46Å; L571-P607 WeakPolarHBondContact O-CB 3.24Å; W572-P607 HydrophobicContact CD2-CB 3.8Å; W572-P607 HydrophobicContact CD2-CG 4.41Å; W572-P607 HydrophobicContact CE3-CB 3.62Å; W572-P607 HydrophobicContact CE3-CG 3.98Å; W572-P607 HydrophobicContact CG-CB 4.49Å; W572-P607 HydrophobicContact CH2-CB 4.04Å; W572-P607 HydrophobicContact CH2-CG 3.56Å; W572-P607 HydrophobicContact CZ2-CB 4.2Å; W572-P607 HydrophobicContact CZ2-CG 4.02Å; W572-P607 HydrophobicContact CZ3-CB 3.75Å; W572-P607 HydrophobicContact CZ3-CG 3.54Å; C605-P607 WeakPolarHBondContact O-CD 3.42Å; P607-C609 PolarHBondContact O-N 2.7Å
608	T	78.2	Confident	54.4	Low	71 Å²	71	89.9 Å²	89.9	44%	0.436	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.1	168.6	47.8	0	0	0	0	108.3	R570 L571	R570-T608 WeakPolarHBondContact CA-O 3.22Å; L571-T608 VanDerWaalsContact CB-OG1 3.31Å; L571-T608 WeakPolarHBondContact CB-OG1 3.18Å; L571-T608 WeakPolarHBondContact CD2-OG1 3.41Å; L571-T608 PolarHBondContact N-O 2.91Å; L571-T608 PolarHBondContact O-N 3.47Å; L571-T608 VanDerWaalsContact O-N 3.09Å; L571-T608 PolarHBondContact O-OG1 2.89Å
609	C	81.1	Confident	55.4	Low	83 Å²	83	85.7 Å²	85.7	56%	0.561	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.6	-176.7	60.5	0	0	0	0	111.7	I569 R570 P607	I569-C609 CarbonylContact O-C 3.57Å; I569-C609 WeakPolarHBondContact O-CA 3.24Å; R570-C609 HydrophobicContact CG-CB 4.32Å; P607-C609 PolarHBondContact O-N 2.7Å
610	F	81.6	Confident	56.2	Low	25 Å²	25	83.9 Å²	83.9	11%	0.11	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.3	169.8	-53.9	-78.2	0	0	0	108.6	F568 I569 L571 V676	F568-F610 WeakPolarHBondContact CA-O 3.27Å; I569-F610 HydrophobicContact CB-CB 4.27Å; I569-F610 HydrophobicContact CB-CD2 4.46Å; I569-F610 HydrophobicContact CG2-CD2 4.38Å; I569-F610 PolarHBondContact N-O 3.17Å; I569-F610 PolarHBondContact O-N 3.15Å; L571-F610 HydrophobicContact CB-CE2 4.4Å; F610-V676 HydrophobicContact CB-CG1 4.45Å; F610-V676 HydrophobicContact CD1-CG1 3.85Å; F610-V676 HydrophobicContact CD2-CG1 4.35Å; F610-V676 HydrophobicContact CE1-CG1 4.16Å; F610-V676 HydrophobicContact CG-CG1 3.96Å
611	D	81.5	Confident	57.1	Low	35 Å²	35	81.8 Å²	81.8	19%	0.187	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106	177	178.4	14.1	0	0	0	108.8	F568 N613 K614	F568-D611 HydrophobicContact CD1-CB 3.97Å; F568-D611 HydrophobicContact CE1-CB 3.74Å; D611-N613 PolarHBondContact O-N 3.15Å; D611-N613 WeakPolarHBondContact OD1-CB 3.39Å; D611-N613 PolarHBondContact OD1-N 3.06Å; D611-N613 PolarHBondContact OD1-ND2 3.36Å; D611-K614 HydrophobicContact CB-CD 4.27Å; D611-K614 HydrophobicContact CB-CG 4.12Å; D611-K614 PolarHBondContact O-N 3.03Å
612	L	78.5	Confident	57.8	Low	4 Å²	4	82.8 Å²	82.8	2%	0.021	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.2	179.3	-63.1	-177.8	0	0	0	111.7	G567 I569 K614 T615 I652 A666 Y674 V676 I683	G567-L612 PolarHBondContact O-N 3.13Å; G567-L612 VanDerWaalsContact O-N 3.08Å; I569-L612 HydrophobicContact CD1-CD1 4.14Å; I569-L612 HydrophobicContact CD1-CD2 4.18Å; I569-L612 HydrophobicContact CD1-CG 4.26Å; L612-K614 PolarHBondContact O-N 2.83Å; L612-T615 PolarHBondContact O-N 3.45Å; L612-T615 PolarHBondContact O-OG1 3Å; L612-I652 HydrophobicContact CD1-CD1 3.57Å; L612-I652 HydrophobicContact CD1-CG1 3.8Å; L612-I652 HydrophobicContact CG-CD1 4.39Å; L612-A666 HydrophobicContact CD1-CB 4.33Å; L612-Y674 HydrophobicContact CD1-CD2 3.97Å; L612-Y674 HydrophobicContact CD1-CG 4.04Å; L612-Y674 HydrophobicContact CD2-CD1 4Å; L612-Y674 HydrophobicContact CD2-CG 3.97Å; L612-V676 HydrophobicContact CD2-CG2 3.96Å; L612-I683 HydrophobicContact CD2-CD1 4.16Å; L612-I683 HydrophobicContact CD2-CG2 4.1Å
613	N	73.8	Confident	58.6	Low	45 Å²	45	81.9 Å²	81.9	24%	0.241	41%	0.413	C	S	.	.	H	α-helix	trans	-67.4	-18.4	179.3	-58.5	-60.9	0	0	0	112.9	G566 D611 T615 R616	G566-N613 PolarHBondContact O-ND2 3.43Å; G566-N613 VanDerWaalsContact O-ND2 3.17Å; D611-N613 PolarHBondContact O-N 3.15Å; D611-N613 WeakPolarHBondContact OD1-CB 3.39Å; D611-N613 PolarHBondContact OD1-N 3.06Å; D611-N613 PolarHBondContact OD1-ND2 3.36Å; N613-T615 VanDerWaalsContact C-N 3.29Å; N613-T615 PolarHBondContact O-N 3.34Å; N613-R616 WeakPolarHBondContact O-CB 3.08Å; N613-R616 PolarHBondContact O-N 2.96Å
614	K	66.9	Low	58.9	Low	133 Å²	133	83.1 Å²	83.1	58%	0.578	41%	0.411	S	S	*	.	H	α-helix	trans	-62.3	-36.5	176.4	-71.9	-178.6	-179.1	177.2	0	112.3	D611 L612 R616 K617	D611-K614 HydrophobicContact CB-CD 4.27Å; D611-K614 HydrophobicContact CB-CG 4.12Å; D611-K614 PolarHBondContact O-N 3.03Å; L612-K614 PolarHBondContact O-N 2.83Å; K614-R616 PolarHBondContact O-N 3.1Å; K614-K617 PolarHBondContact O-N 3.44Å
615	T	60.6	Low	59	Low	23 Å²	23	83.4 Å²	83.4	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-58.8	-35.1	177.6	63.2	0	0	0	0	111.9	L612 N613 K617 L618 D619 Y674 I683	L612-T615 PolarHBondContact O-N 3.45Å; L612-T615 PolarHBondContact O-OG1 3Å; N613-T615 VanDerWaalsContact C-N 3.29Å; N613-T615 PolarHBondContact O-N 3.34Å; T615-K617 PolarHBondContact O-N 2.8Å; T615-L618 PolarHBondContact O-N 3.42Å; T615-D619 PolarHBondContact O-N 3.19Å; T615-Y674 HydrophobicContact CG2-CE1 4.14Å; T615-Y674 WeakPolarHBondContact OG1-CE1 3.46Å; T615-Y674 PolarHBondContact OG1-OH 2.79Å; T615-I683 HydrophobicContact CG2-CB 3.77Å; T615-I683 HydrophobicContact CG2-CD1 3.91Å; T615-I683 HydrophobicContact CG2-CG1 4.44Å; T615-I683 HydrophobicContact CG2-CG2 3.57Å
616	R	55.4	Low	58.5	Low	53 Å²	53	89.4 Å²	89.4	20%	0.2	44%	0.437	C	S	.	.	H	α-helix	trans	-71.1	-30.1	-179.8	-68.9	-179.7	151.7	-156.2	-13.4	114.3	N613 K614 L618 D619 R620 L650 D670	N613-R616 WeakPolarHBondContact O-CB 3.08Å; N613-R616 PolarHBondContact O-N 2.96Å; K614-R616 PolarHBondContact O-N 3.1Å; R616-L618 PolarHBondContact O-N 3.24Å; R616-D619 PolarHBondContact O-N 3.14Å; R616-R620 WeakPolarHBondContact O-CG 3.25Å; R616-R620 PolarHBondContact O-N 3.13Å; R616-L650 VanDerWaalsContact NE-CD1 3.32Å; R616-L650 VanDerWaalsContact NH1-CG 3.3Å; R616-D670 IonicContact CZ-OD2 3.84Å; R616-D670 IonicContact NE-OD2 3.98Å; R616-D670 PolarHBondContact NE-OD2 2.86Å; R616-D670 IonicContact NH2-OD2 3.96Å; R616-D670 PolarHBondContact NH2-OD2 3.26Å
617	K	51	Low	57.4	Low	157 Å²	157	90.5 Å²	90.5	68%	0.683	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-35.5	176.7	-71.3	-173.6	179.9	-179.9	0	110.7	K614 T615 I621	K614-K617 PolarHBondContact O-N 3.44Å; T615-K617 PolarHBondContact O-N 2.8Å; K617-I621 VanDerWaalsContact O-CD1 3.26Å; K617-I621 WeakPolarHBondContact O-CD1 3.41Å; K617-I621 VanDerWaalsContact O-CG1 3.23Å; K617-I621 WeakPolarHBondContact O-CG1 3.39Å; K617-I621 PolarHBondContact O-N 3.32Å
618	L	46.7	Very low	55.3	Low	112 Å²	112	96.9 Å²	96.9	59%	0.586	47%	0.465	S	S	*	.	H	α-helix	trans	-69.6	-45.5	174.8	-70.6	140.5	0	0	0	111.4	T615 R616 R620 I621 N622	T615-L618 PolarHBondContact O-N 3.42Å; R616-L618 PolarHBondContact O-N 3.24Å; L618-R620 PolarHBondContact O-N 2.76Å; L618-I621 PolarHBondContact O-N 3.11Å; L618-N622 PolarHBondContact O-N 2.96Å
619	D	49	Very low	52.9	Low	57 Å²	57	101.3 Å²	101.3	31%	0.305	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-43.5	177.4	-78.2	-9.4	0	0	0	112.4	T615 R616 I621 N622 H623 K672	T615-D619 PolarHBondContact O-N 3.19Å; R616-D619 PolarHBondContact O-N 3.14Å; D619-I621 VanDerWaalsContact C-N 3.32Å; D619-I621 PolarHBondContact O-N 3.04Å; D619-N622 PolarHBondContact O-N 3.21Å; D619-H623 PolarHBondContact O-N 3.16Å; D619-H623 PolarHBondContact O-ND1 3.38Å; D619-K672 IonicContact OD2-NZ 3.47Å; D619-K672 PolarHBondContact OD2-NZ 3.44Å
620	R	48.2	Very low	50.3	Low	135 Å²	135	105.3 Å²	105.3	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-62.5	-37.8	179	-75.2	-174.4	-178.3	-177.8	1.4	112.6	R616 L618 H624	R616-R620 WeakPolarHBondContact O-CG 3.25Å; R616-R620 PolarHBondContact O-N 3.13Å; L618-R620 PolarHBondContact O-N 2.76Å; R620-H624 PolarHBondContact O-N 3.49Å; R620-H624 VanDerWaalsContact O-N 3.12Å; R620-H624 PolarHBondContact O-ND1 3Å
621	I	47.3	Very low	47.8	Very low	99 Å²	99	111.7 Å²	111.7	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-67.2	-42.7	176.9	-65.7	163.9	0	0	0	110.1	K617 L618 D619 H624 H625	K617-I621 VanDerWaalsContact O-CD1 3.26Å; K617-I621 WeakPolarHBondContact O-CD1 3.41Å; K617-I621 VanDerWaalsContact O-CG1 3.23Å; K617-I621 WeakPolarHBondContact O-CG1 3.39Å; K617-I621 PolarHBondContact O-N 3.32Å; L618-I621 PolarHBondContact O-N 3.11Å; D619-I621 VanDerWaalsContact C-N 3.32Å; D619-I621 PolarHBondContact O-N 3.04Å; I621-H624 PolarHBondContact O-N 3.39Å; I621-H625 PolarHBondContact O-N 3.49Å; I621-H625 VanDerWaalsContact O-N 3.16Å
622	N	41.9	Very low	45.2	Very low	91 Å²	91	118.7 Å²	118.7	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-38.4	178.7	-69.6	-17.3	0	0	0	112.7	L618 D619 H625 H626	L618-N622 PolarHBondContact O-N 2.96Å; D619-N622 PolarHBondContact O-N 3.21Å; N622-H625 PolarHBondContact O-N 3.41Å; N622-H626 PolarHBondContact O-N 3.37Å
623	H	45.4	Very low	42.8	Very low	131 Å²	131	129.9 Å²	129.9	61%	0.606	60%	0.6	S	S	*	*	H	α-helix	trans	-70.2	-30	175.6	-72.6	76.3	0	0	0	112.6	D619 H625	D619-H623 PolarHBondContact O-N 3.16Å; D619-H623 PolarHBondContact O-ND1 3.38Å; H623-H625 VanDerWaalsContact C-N 3.33Å
624	H	40.6	Very low	40.8	Very low	138 Å²	138	133.1 Å²	133.1	64%	0.639	63%	0.626	S	S	*	*	H	α-helix	trans	-71.7	-26.5	172.8	-79.8	63.6	0	0	0	112.6	R620 I621 H628	R620-H624 PolarHBondContact O-N 3.49Å; R620-H624 VanDerWaalsContact O-N 3.12Å; R620-H624 PolarHBondContact O-ND1 3Å; I621-H624 PolarHBondContact O-N 3.39Å; H624-H628 PolarHBondContact O-CD2 2.9Å
625	H	36.8	Very low	39.1	Very low	142 Å²	142	134.5 Å²	134.5	66%	0.657	64%	0.639	S	S	*	*	H	α-helix	trans	-76.7	-23.6	176.7	-92.2	-33.9	0	0	0	114.7	I621 N622 H623	I621-H625 PolarHBondContact O-N 3.49Å; I621-H625 VanDerWaalsContact O-N 3.16Å; N622-H625 PolarHBondContact O-N 3.41Å; H623-H625 VanDerWaalsContact C-N 3.33Å
626	H	33.7	Very low	38	Very low	173 Å²	173	137.4 Å²	137.4	80%	0.801	66%	0.659	S	S	*	*	H	α-helix	trans	-92.9	-3.5	180	-89.7	-60.8	0	0	0	116	N622	N622-H626 PolarHBondContact O-N 3.37Å
627	H	32.1	Very low	37.2	Very low	167 Å²	167	139.7 Å²	139.7	77%	0.773	68%	0.679	S	S	*	*			trans	-112.7	17.9	177.7	-93.4	-61.1	0	0	0	115.4	Q629	H627-Q629 PolarHBondContact O-N 3.48Å
628	H	30.3	Very low	36.8	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.745	68%	0.681	S	S	*	*			trans	-83.4	59.7	169.5	-90.9	-60.8	0	0	0	112.8	H624	H624-H628 PolarHBondContact O-CD2 2.9Å
629	Q	28	Very low	36.5	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	69%	0.686	S	S	*	*	S	Bend	trans	-142.3	116.8	153.9	-72.8	-169.9	-5	0	0	108.3	H627	H627-Q629 PolarHBondContact O-N 3.48Å
630	H	27.7	Very low	36.2	Very low	166 Å²	166	142.5 Å²	142.5	77%	0.769	70%	0.697	S	S	*	*	S	Bend	trans	64.2	96.4	172.2	-58.7	-73.7	0	0	0	117.8
631	N	29.4	Very low	35.7	Very low	160 Å²	160	141.1 Å²	141.1	86%	0.856	70%	0.696	S	S	*	*				173.9	136.5	102.3	-89.3	-31.6	0	0	0	112.5
632	H	27.2	Very low	35.2	Very low	182 Å²	182	143.1 Å²	143.1	84%	0.843	70%	0.701	S	S	*	*			trans	-70.6	152.7	174.9	-75.5	-83.1	0	0	0	112.5
633	R	26.9	Very low	34.9	Very low	239 Å²	239	144.7 Å²	144.7	90%	0.902	71%	0.705	S	S	*	*			trans	76.3	91	159.6	-66.9	-177	176.3	-162.8	-0.7	117.9
634	S	31.4	Very low	34.3	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	70%	0.702	S	S	*	*				-173.2	123.5	116.9	42.2	0	0	0	0	108.2	P636	S634-P636 VanDerWaalsContact O-CD 3.23Å; S634-P636 WeakPolarHBondContact O-CD 3.15Å
635	N	32.2	Very low	34.2	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	70%	0.699	S	S	*	*			trans	-72.7	111.9	174.1	-75	-19.1	0	0	0	108	T637	N635-T637 PolarHBondContact O-N 3.35Å
636	P	36.1	Very low	34.4	Very low	85 Å²	85	143 Å²	143	55%	0.552	70%	0.701	S	S	*	*			trans	-75	115.7	171.3	19.6	-7.8	0	0	0	107.8	S634	S634-P636 VanDerWaalsContact O-CD 3.23Å; S634-P636 WeakPolarHBondContact O-CD 3.15Å
637	T	39.4	Very low	34.6	Very low	101 Å²	101	145.2 Å²	145.2	62%	0.62	70%	0.702	S	S	*	*			trans	-58.3	132.8	179.8	25.3	0	0	0	0	111.2	N635 L639 Q640	N635-T637 PolarHBondContact O-N 3.35Å; T637-L639 PolarHBondContact O-N 3.06Å; T637-Q640 PolarHBondContact O-N 3.27Å
638	L	42.6	Very low	35.2	Very low	140 Å²	140	141.6 Å²	141.6	73%	0.733	69%	0.689	S	S	*	*	H	α-helix	trans	-42	-21.7	-178	-166.4	70.9	0	0	0	116.4	K642	L638-K642 PolarHBondContact O-N 2.89Å
639	L	40.8	Very low	36.3	Very low	130 Å²	130	140.3 Å²	140.3	68%	0.681	68%	0.681	S	S	*	*	H	α-helix	trans	-71.2	-36.2	176.4	-86.1	139.6	0	0	0	113.4	T637 K642 Q643	T637-L639 PolarHBondContact O-N 3.06Å; L639-K642 PolarHBondContact O-N 3.07Å; L639-Q643 WeakPolarHBondContact O-CG 3.45Å; L639-Q643 PolarHBondContact O-N 2.89Å; L639-Q643 VanDerWaalsContact O-N 3.09Å
640	Q	41.4	Very low	38	Very low	115 Å²	115	133.5 Å²	133.5	54%	0.537	65%	0.649	S	S	.	*	H	α-helix	trans	-73.2	-32.1	179.7	-155.9	170.5	21.6	0	0	111.1	T637 Q643 L644	T637-Q640 PolarHBondContact O-N 3.27Å; Q640-Q643 PolarHBondContact O-N 2.92Å; Q640-L644 HydrophobicContact CG-CD1 3.92Å; Q640-L644 WeakPolarHBondContact O-CB 3.41Å; Q640-L644 WeakPolarHBondContact O-CD1 3.31Å; Q640-L644 PolarHBondContact O-N 3.34Å
641	H	37.7	Very low	40.5	Very low	106 Å²	106	125.8 Å²	125.8	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-65.2	-44.1	172.2	-98.5	-73.3	0	0	0	112.5	Q643 L644 E645	H641-Q643 VanDerWaalsContact C-N 3.34Å; H641-Q643 PolarHBondContact O-N 3.03Å; H641-L644 PolarHBondContact O-N 3.02Å; H641-E645 WeakPolarHBondContact O-CB 3.32Å; H641-E645 VanDerWaalsContact O-CG 3.31Å; H641-E645 WeakPolarHBondContact O-CG 3.4Å; H641-E645 PolarHBondContact O-N 3.32Å
642	K	38.3	Very low	43.3	Very low	140 Å²	140	118.2 Å²	118.2	61%	0.609	58%	0.575	S	S	*	*	H	α-helix	trans	-66.6	-33.3	175.9	-84.2	-175.4	174.6	-179.8	0	113.2	L638 L639	L638-K642 PolarHBondContact O-N 2.89Å; L639-K642 PolarHBondContact O-N 3.07Å
643	Q	35.2	Very low	46.4	Very low	124 Å²	124	111 Å²	111	58%	0.579	54%	0.543	S	S	*	.	H	α-helix	trans	-76.8	-33.4	176.1	-73.5	-179.7	-9.8	0	0	112.9	L639 Q640 H641	L639-Q643 WeakPolarHBondContact O-CG 3.45Å; L639-Q643 PolarHBondContact O-N 2.89Å; L639-Q643 VanDerWaalsContact O-N 3.09Å; Q640-Q643 PolarHBondContact O-N 2.92Å; H641-Q643 VanDerWaalsContact C-N 3.34Å; H641-Q643 PolarHBondContact O-N 3.03Å
644	L	33.6	Very low	49.5	Very low	102 Å²	102	101.1 Å²	101.1	53%	0.534	51%	0.507	S	S	.	.	H	α-helix	trans	-72.2	-34.8	172.5	-104.8	95.3	0	0	0	112.8	Q640 H641 Q646 R647	Q640-L644 HydrophobicContact CG-CD1 3.92Å; Q640-L644 WeakPolarHBondContact O-CB 3.41Å; Q640-L644 WeakPolarHBondContact O-CD1 3.31Å; Q640-L644 PolarHBondContact O-N 3.34Å; H641-L644 PolarHBondContact O-N 3.02Å; L644-Q646 PolarHBondContact O-N 3.37Å; L644-R647 PolarHBondContact O-N 2.79Å
645	E	37.6	Very low	52.4	Low	126 Å²	126	96 Å²	96	59%	0.589	47%	0.47	S	S	*	.	H	α-helix	trans	-65.2	-28.5	177	-79.6	-179.9	172.8	0	0	112.9	H641	H641-E645 WeakPolarHBondContact O-CB 3.32Å; H641-E645 VanDerWaalsContact O-CG 3.31Å; H641-E645 WeakPolarHBondContact O-CG 3.4Å; H641-E645 PolarHBondContact O-N 3.32Å
646	Q	40.9	Very low	55.3	Low	148 Å²	148	89.2 Å²	89.2	69%	0.692	43%	0.434	S	S	*	.	H	α-helix	trans	-80.9	-23	177.1	-72.5	-178	-3.3	0	0	113.7	L644	L644-Q646 PolarHBondContact O-N 3.37Å
647	R	37.7	Very low	57.8	Low	220 Å²	220	85.3 Å²	85.3	83%	0.83	41%	0.409	S	S	*	.	H	α-helix	trans	-89.2	-9.9	-169.9	-106.5	-175.1	171	174.1	-2.3	116.7	L644	L644-R647 PolarHBondContact O-N 2.79Å
648	N	45.1	Very low	60	Low	91 Å²	91	80.7 Å²	80.7	49%	0.487	38%	0.381	S	S	.	.			trans	-119	45.8	-177.4	-67.7	7.5	0	0	0	113.2	L650	N648-L650 PolarHBondContact O-N 2.65Å
649	K	52.5	Low	61.8	Low	134 Å²	134	74.8 Å²	74.8	58%	0.583	35%	0.349	S	S	*	.			trans	-73.4	107.9	163.9	-70	178.4	-178.4	176.2	0	107.4
650	L	64.8	Low	63.6	Low	20 Å²	20	70 Å²	70	11%	0.105	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-83.5	128.8	178.5	-58.8	166	0	0	0	110.3	G567 R616 N648 C668 D669 D670	G567-L650 PolarHBondContact N-O 2.91Å; R616-L650 VanDerWaalsContact NE-CD1 3.32Å; R616-L650 VanDerWaalsContact NH1-CG 3.3Å; N648-L650 PolarHBondContact O-N 2.65Å; L650-C668 VanDerWaalsContact CB-SG 3.5Å; L650-C668 WeakPolarHBondContact CD1-SG 3.22Å; L650-D669 HydrophobicContact CD2-CB 4.27Å; L650-D670 HydrophobicContact CD1-CB 3.93Å; L650-D670 WeakPolarHBondContact CD1-OD2 3.39Å; L650-D670 HydrophobicContact CD2-CB 3.66Å; L650-D670 HydrophobicContact CG-CB 4.37Å
651	G	79.2	Confident	65.5	Low	5 Å²	5	65.4 Å²	65.4	5%	0.052	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-78.1	141.3	169.4	0	0	0	0	0	110.8	S565 D669	S565-G651 WeakPolarHBondContact O-CA 3.41Å; G651-D669 WeakPolarHBondContact CA-OD2 3.31Å; G651-D669 PolarHBondContact N-OD2 2.91Å; G651-D669 PolarHBondContact O-N 3.19Å
652	I	89	Confident	67.7	Low	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.5	160.9	-60.5	165.2	0	0	0	106.3	N549 C563 I569 L612 A666 V667	N549-I652 WeakPolarHBondContact CB-O 3.18Å; N549-I652 PolarHBondContact ND2-O 3.27Å; C563-I652 HydrophobicContact CB-CB 3.79Å; C563-I652 HydrophobicContact CB-CD1 3.87Å; C563-I652 HydrophobicContact CB-CG1 4.46Å; C563-I652 HydrophobicContact CB-CG2 3.54Å; I569-I652 HydrophobicContact CD1-CD1 4.18Å; I569-I652 HydrophobicContact CG1-CD1 3.5Å; I569-I652 VanDerWaalsContact CG1-CD1 3.5Å; L612-I652 HydrophobicContact CD1-CD1 3.57Å; L612-I652 HydrophobicContact CD1-CG1 3.8Å; L612-I652 HydrophobicContact CG-CD1 4.39Å; I652-A666 HydrophobicContact CG2-CB 4.03Å; I652-V667 CarbonylContact C-O 3.58Å; I652-V667 VanDerWaalsContact CA-O 3.26Å; I652-V667 WeakPolarHBondContact CA-O 3.34Å; I652-V667 WeakPolarHBondContact CG2-O 3.27Å
653	N	91.6	Very high	70	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.171	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-42.9	-176	-67.1	-29.2	0	0	0	111.9	V667 D669 V693 Q694	N653-V667 PolarHBondContact N-O 3.39Å; N653-D669 PolarHBondContact ND2-OD1 3.37Å; N653-D669 PolarHBondContact OD1-OD1 3.47Å; N653-V693 PolarHBondContact ND2-O 3.37Å; N653-Q694 WeakPolarHBondContact CB-O 3.17Å
654	Q	92.8	Very high	72.7	Confident	31 Å²	31	53.5 Å²	53.5	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.9	179.5	-173.5	164.8	-22.8	0	0	110.7	V667 S695 I696	Q654-V667 PolarHBondContact O-N 3.46Å; Q654-S695 PolarHBondContact OE1-OG 3.49Å; Q654-I696 HydrophobicContact CB-CG2 4.3Å; Q654-I696 HydrophobicContact CG-CG2 4.17Å; Q654-I696 PolarHBondContact NE2-O 3.45Å; Q654-I696 VanDerWaalsContact NE2-O 3.13Å
655	L	92.9	Very high	75.5	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.3	171.9	69.2	146.6	0	0	0	111.4	I552 I561 C563 I664 V665	I552-L655 HydrophobicContact CD1-CD1 3.55Å; I552-L655 HydrophobicContact CD1-CG 3.83Å; I552-L655 HydrophobicContact CG1-CD1 3.56Å; I552-L655 HydrophobicContact CG1-CG 4.02Å; I552-L655 HydrophobicContact CG2-CG 4.32Å; I561-L655 HydrophobicContact CB-CD1 3.8Å; I561-L655 HydrophobicContact CG2-CD1 3.25Å; C563-L655 HydrophobicContact CB-CD2 3.69Å; C563-L655 WeakPolarHBondContact SG-CD2 3.3Å; L655-I664 HydrophobicContact CD1-CG2 4.33Å; L655-V665 CarbonylContact C-O 3.51Å; L655-V665 VanDerWaalsContact CA-O 3.22Å; L655-V665 WeakPolarHBondContact CA-O 3.2Å
656	V	91.5	Very high	78	Confident	18 Å²	18	42.6 Å²	42.6	11%	0.109	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.7	173	-176.6	0	0	0	0	108.3	V665 I696 L698	V656-V665 PolarHBondContact N-O 2.93Å; V656-V665 PolarHBondContact O-N 2.92Å; V656-I696 HydrophobicContact CG2-CG2 3.85Å; V656-I696 WeakPolarHBondContact CG2-O 3.33Å; V656-L698 HydrophobicContact CB-CD1 4.13Å; V656-L698 HydrophobicContact CG1-CB 4Å; V656-L698 HydrophobicContact CG1-CD1 3.45Å; V656-L698 VanDerWaalsContact CG1-CD1 3.45Å; V656-L698 HydrophobicContact CG1-CG 3.86Å
657	I	90.2	Very high	80.5	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.7	174.8	-173.9	156.2	0	0	0	110.5	I552 N554 I561 I664 I678 Y700	I552-I657 HydrophobicContact CD1-CB 4.05Å; I552-I657 HydrophobicContact CD1-CG2 3.86Å; N554-I657 HydrophobicContact CB-CD1 3.96Å; I561-I657 HydrophobicContact CD1-CB 4.32Å; I561-I657 HydrophobicContact CD1-CD1 3.3Å; I561-I657 HydrophobicContact CD1-CG1 4.33Å; I657-I664 HydrophobicContact CD1-CG1 4.37Å; I657-I678 HydrophobicContact CD1-CD1 3.82Å; I657-Y700 WeakPolarHBondContact O-CE1 3.38Å; I657-Y700 PolarHBondContact O-OH 3.24Å
658	D	85.4	Confident	83	Confident	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.129	C	C	.	.			trans	-67.3	158	173.1	-175.4	34.1	0	0	0	112.8	F333 S660 S661 Y663	F333-D658 WeakPolarHBondContact CE1-OD1 3.39Å; F333-D658 WeakPolarHBondContact CE2-OD1 3.44Å; F333-D658 WeakPolarHBondContact CZ-OD1 3.42Å; D658-S660 VanDerWaalsContact C-N 3.27Å; D658-S660 PolarHBondContact O-N 3.35Å; D658-S660 WeakPolarHBondContact OD2-CB 3.25Å; D658-S660 PolarHBondContact OD2-N 2.7Å; D658-S660 PolarHBondContact OD2-OG 2.93Å; D658-S661 PolarHBondContact O-N 2.87Å; D658-Y663 PolarHBondContact N-O 2.93Å; D658-Y663 VanDerWaalsContact N-O 3.13Å
659	L	80.1	Confident	85	Confident	15 Å²	15	23.9 Å²	23.9	8%	0.079	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-40.3	174.7	-72.7	-177.4	0	0	0	112.5	L326 Q555 S661 Y700	L326-L659 HydrophobicContact CD1-CB 4.13Å; L326-L659 HydrophobicContact CD1-CD1 4.33Å; Q555-L659 HydrophobicContact CG-CD2 4.04Å; L659-S661 PolarHBondContact O-N 3.47Å; L659-Y700 HydrophobicContact CB-CD1 4.43Å; L659-Y700 HydrophobicContact CD1-CD1 4.25Å; L659-Y700 HydrophobicContact CD1-CG 4.23Å; L659-Y700 HydrophobicContact CD2-CD1 3.62Å; L659-Y700 HydrophobicContact CD2-CD2 3.97Å; L659-Y700 HydrophobicContact CD2-CE1 3.96Å; L659-Y700 HydrophobicContact CD2-CE2 4.3Å; L659-Y700 HydrophobicContact CD2-CG 3.59Å; L659-Y700 HydrophobicContact CG-CD1 3.39Å; L659-Y700 HydrophobicContact CG-CE1 3.97Å; L659-Y700 HydrophobicContact CG-CG 3.69Å
660	S	78.7	Confident	86.6	Confident	29 Å²	29	18.7 Å²	18.7	20%	0.203	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.4	178.7	67.8	0	0	0	0	112.9	D658 E662	D658-S660 VanDerWaalsContact C-N 3.27Å; D658-S660 PolarHBondContact O-N 3.35Å; D658-S660 WeakPolarHBondContact OD2-CB 3.25Å; D658-S660 PolarHBondContact OD2-N 2.7Å; D658-S660 PolarHBondContact OD2-OG 2.93Å; S660-E662 PolarHBondContact O-N 3.16Å; S660-E662 WeakPolarHBondContact OG-CB 3.34Å; S660-E662 WeakPolarHBondContact OG-CG 3.29Å; S660-E662 PolarHBondContact OG-N 2.92Å; S660-E662 VanDerWaalsContact OG-N 3.15Å
661	S	81.7	Confident	87.7	Confident	19 Å²	19	18.8 Å²	18.8	13%	0.133	10%	0.102	C	C	.	.	S	Bend	trans	59.2	28.4	-168.7	-49.7	0	0	0	0	113.8	D658 L659 I678	D658-S661 PolarHBondContact O-N 2.87Å; L659-S661 PolarHBondContact O-N 3.47Å; S661-I678 WeakPolarHBondContact O-CD1 3.2Å
662	E	82.8	Confident	88.1	Confident	110 Å²	110	20.1 Å²	20.1	51%	0.514	11%	0.107	S	C	.	.			trans	-89.2	-39.2	174.8	-68.4	-178.1	170.4	0	0	112.8	S660 I678	S660-E662 PolarHBondContact O-N 3.16Å; S660-E662 WeakPolarHBondContact OG-CB 3.34Å; S660-E662 WeakPolarHBondContact OG-CG 3.29Å; S660-E662 PolarHBondContact OG-N 2.92Å; S660-E662 VanDerWaalsContact OG-N 3.15Å; E662-I678 WeakPolarHBondContact O-CB 3.39Å; E662-I678 PolarHBondContact O-N 2.87Å
663	Y	87.9	Confident	88.2	Confident	10 Å²	10	20.1 Å²	20.1	4%	0.039	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.4	-174.6	-66.9	-81.2	0	0	0	112.3	R335 L336 D337 D658 V676 E677	R335-Y663 WeakPolarHBondContact CG-OH 3.38Å; R335-Y663 PolarHBondContact NE-OH 2.79Å; L336-Y663 HydrophobicContact CB-CD1 4.43Å; L336-Y663 HydrophobicContact CB-CD2 4.33Å; L336-Y663 HydrophobicContact CB-CG 4.04Å; D337-Y663 WeakPolarHBondContact OD2-CE1 3.47Å; D658-Y663 PolarHBondContact N-O 2.93Å; D658-Y663 VanDerWaalsContact N-O 3.13Å; Y663-V676 CarbonylContact C-O 3.54Å; Y663-V676 WeakPolarHBondContact CA-O 3.49Å; Y663-E677 HydrophobicContact CD1-CB 4.02Å; Y663-E677 HydrophobicContact CD1-CG 4.4Å; Y663-E677 HydrophobicContact CE1-CB 3.65Å; Y663-E677 HydrophobicContact CE1-CG 3.82Å
664	I	90.8	Very high	88.1	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.9	169.7	-57.6	171	0	0	0	107.7	I561 I569 L655 I657 C675 V676 I678	I561-I664 HydrophobicContact CD1-CD1 3.68Å; I561-I664 HydrophobicContact CD1-CG1 3.86Å; I561-I664 HydrophobicContact CG1-CD1 4.18Å; I561-I664 HydrophobicContact CG2-CD1 4.01Å; I561-I664 HydrophobicContact CG2-CG2 4.49Å; I569-I664 HydrophobicContact CG2-CD1 4.44Å; L655-I664 HydrophobicContact CD1-CG2 4.33Å; I657-I664 HydrophobicContact CD1-CG1 4.37Å; I664-C675 CarbonylContact O-C 3.56Å; I664-C675 WeakPolarHBondContact O-CA 3.19Å; I664-V676 HydrophobicContact CB-CB 4.35Å; I664-V676 PolarHBondContact N-O 2.74Å; I664-V676 PolarHBondContact O-N 2.89Å; I664-I678 HydrophobicContact CD1-CD1 3.85Å; I664-I678 HydrophobicContact CD1-CG1 3.62Å; I664-I678 HydrophobicContact CG1-CD1 3.61Å; I664-I678 HydrophobicContact CG1-CG1 3.69Å
665	V	91.5	Very high	87.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.5	171	-167	0	0	0	0	108.8	L336 L655 V656 I673 Y674 I696 L698 L705	L336-V665 HydrophobicContact CD1-CG2 4.35Å; L336-V665 HydrophobicContact CD2-CG2 3.1Å; L336-V665 HydrophobicContact CG-CG2 3.66Å; L655-V665 CarbonylContact C-O 3.51Å; L655-V665 VanDerWaalsContact CA-O 3.22Å; L655-V665 WeakPolarHBondContact CA-O 3.2Å; V656-V665 PolarHBondContact N-O 2.93Å; V656-V665 PolarHBondContact O-N 2.92Å; V665-I673 HydrophobicContact CG1-CG2 3.29Å; V665-Y674 CarbonylContact C-O 3.54Å; V665-Y674 VanDerWaalsContact CA-O 3.32Å; V665-Y674 WeakPolarHBondContact CA-O 3.36Å; V665-I696 HydrophobicContact CB-CD1 4.37Å; V665-I696 HydrophobicContact CG1-CD1 3.45Å; V665-I696 VanDerWaalsContact CG1-CD1 3.45Å; V665-L698 HydrophobicContact CG2-CD1 4.36Å; V665-L705 HydrophobicContact CG1-CD2 4.3Å
666	A	91.9	Very high	87.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.1	179	0	0	0	0	0	110.2	I569 L612 I652 Y674	I569-A666 HydrophobicContact CD1-CB 3.6Å; L612-A666 HydrophobicContact CD1-CB 4.33Å; I652-A666 HydrophobicContact CG2-CB 4.03Å; A666-Y674 PolarHBondContact N-O 3.26Å; A666-Y674 PolarHBondContact O-N 3.33Å
667	V	92.5	Very high	87.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.4	-174.3	175.2	0	0	0	0	110.3	I652 N653 Q654 I673 V693 I696	I652-V667 CarbonylContact C-O 3.58Å; I652-V667 VanDerWaalsContact CA-O 3.26Å; I652-V667 WeakPolarHBondContact CA-O 3.34Å; I652-V667 WeakPolarHBondContact CG2-O 3.27Å; N653-V667 PolarHBondContact N-O 3.39Å; Q654-V667 PolarHBondContact O-N 3.46Å; V667-I673 HydrophobicContact CG2-CG1 4.33Å; V667-I673 HydrophobicContact CG2-CG2 4.3Å; V667-V693 HydrophobicContact CB-CG1 4.43Å; V667-V693 HydrophobicContact CG1-CB 3.21Å; V667-V693 HydrophobicContact CG1-CG1 3.18Å; V667-V693 HydrophobicContact CG1-CG2 4.48Å; V667-V693 WeakPolarHBondContact CG1-O 3.42Å; V667-V693 HydrophobicContact CG2-CG1 4.36Å; V667-I696 HydrophobicContact CB-CG2 4.22Å; V667-I696 HydrophobicContact CG2-CB 3.52Å; V667-I696 HydrophobicContact CG2-CD1 3.4Å; V667-I696 HydrophobicContact CG2-CG1 4.08Å; V667-I696 HydrophobicContact CG2-CG2 3.34Å
668	C	89.3	Confident	87.3	Confident	3 Å²	3	18.4 Å²	18.4	2%	0.02	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.1	-164.3	-169.6	0	0	0	0	112.1	L650 D670 K672 Y674 V693	L650-C668 VanDerWaalsContact CB-SG 3.5Å; L650-C668 WeakPolarHBondContact CD1-SG 3.22Å; C668-D670 VanDerWaalsContact CB-OD1 3.23Å; C668-D670 WeakPolarHBondContact CB-OD1 3.19Å; C668-D670 PolarHBondContact O-N 3.42Å; C668-D670 VanDerWaalsContact O-N 3.14Å; C668-D670 PolarHBondContact SG-OD1 2.82Å; C668-K672 PolarHBondContact N-O 2.77Å; C668-Y674 HydrophobicContact CB-CD2 4Å; C668-Y674 HydrophobicContact CB-CE2 3.93Å; C668-V693 PolarHBondContact O-N 3.42Å
669	D	87.1	Confident	87.1	Confident	62 Å²	62	22.8 Å²	22.8	33%	0.332	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.9	176.8	-68.6	-37.2	0	0	0	114.2	L650 G651 N653 S671 S692	L650-D669 HydrophobicContact CD2-CB 4.27Å; G651-D669 WeakPolarHBondContact CA-OD2 3.31Å; G651-D669 PolarHBondContact N-OD2 2.91Å; G651-D669 PolarHBondContact O-N 3.19Å; N653-D669 PolarHBondContact ND2-OD1 3.37Å; N653-D669 PolarHBondContact OD1-OD1 3.47Å; D669-S671 VanDerWaalsContact C-N 3.28Å; D669-S671 PolarHBondContact O-N 2.99Å; D669-S692 WeakPolarHBondContact O-CA 3.24Å; D669-S692 WeakPolarHBondContact O-CB 3.44Å
670	D	86.1	Confident	87.1	Confident	26 Å²	26	26.2 Å²	26.2	14%	0.139	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	27.2	-178	69.1	-20	0	0	0	115.2	R616 L650 C668 K672 Y674	R616-D670 IonicContact CZ-OD2 3.84Å; R616-D670 IonicContact NE-OD2 3.98Å; R616-D670 PolarHBondContact NE-OD2 2.86Å; R616-D670 IonicContact NH2-OD2 3.96Å; R616-D670 PolarHBondContact NH2-OD2 3.26Å; L650-D670 HydrophobicContact CD1-CB 3.93Å; L650-D670 WeakPolarHBondContact CD1-OD2 3.39Å; L650-D670 HydrophobicContact CD2-CB 3.66Å; L650-D670 HydrophobicContact CG-CB 4.37Å; C668-D670 VanDerWaalsContact CB-OD1 3.23Å; C668-D670 WeakPolarHBondContact CB-OD1 3.19Å; C668-D670 PolarHBondContact O-N 3.42Å; C668-D670 VanDerWaalsContact O-N 3.14Å; C668-D670 PolarHBondContact SG-OD1 2.82Å; D670-K672 PolarHBondContact O-N 3.45Å; D670-Y674 PolarHBondContact OD2-OH 3.03Å
671	S	87.8	Confident	87.1	Confident	21 Å²	21	26.2 Å²	26.2	15%	0.147	15%	0.154	C	C	.	.	S	Bend	trans	61.8	3.9	-178.3	88.6	0	0	0	0	116	D669 H689 D691	D669-S671 VanDerWaalsContact C-N 3.28Å; D669-S671 PolarHBondContact O-N 2.99Å; S671-H689 VanDerWaalsContact CB-O 3.25Å; S671-H689 WeakPolarHBondContact CB-O 3.33Å; S671-H689 PolarHBondContact OG-O 3.48Å; S671-D691 VanDerWaalsContact CA-O 3.3Å; S671-D691 WeakPolarHBondContact CA-O 3.43Å; S671-D691 WeakPolarHBondContact CB-O 3.34Å
672	K	88.3	Confident	87.2	Confident	33 Å²	33	30.8 Å²	30.8	14%	0.143	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151	178.6	-64.8	-177.6	178.3	-172.5	0	111.9	D619 C668 D670 Y674	D619-K672 IonicContact OD2-NZ 3.47Å; D619-K672 PolarHBondContact OD2-NZ 3.44Å; C668-K672 PolarHBondContact N-O 2.77Å; D670-K672 PolarHBondContact O-N 3.45Å; K672-Y674 HydrophobicContact CB-CE2 4.17Å
673	I	90.6	Very high	87.3	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.3	169.3	-57.1	170.2	0	0	0	107.2	V665 V667 T685 L686 V693 I696 W717	V665-I673 HydrophobicContact CG1-CG2 3.29Å; V667-I673 HydrophobicContact CG2-CG1 4.33Å; V667-I673 HydrophobicContact CG2-CG2 4.3Å; I673-T685 CarbonylContact O-C 3.5Å; I673-T685 WeakPolarHBondContact O-CA 3.36Å; I673-L686 HydrophobicContact CB-CB 4.19Å; I673-L686 PolarHBondContact N-O 2.99Å; I673-L686 PolarHBondContact O-N 2.84Å; I673-V693 HydrophobicContact CG1-CG1 4.48Å; I673-I696 HydrophobicContact CD1-CD1 4.31Å; I673-I696 HydrophobicContact CG2-CD1 3.8Å; I673-W717 HydrophobicContact CD1-CH2 4.43Å; I673-W717 HydrophobicContact CD1-CZ2 3.65Å
674	Y	89.8	Confident	87.2	Confident	1 Å²	1	28 Å²	28	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128	179.7	-74.2	-85.3	0	0	0	109.9	L612 T615 V665 A666 C668 D670 K672 I683 S684 T685	L612-Y674 HydrophobicContact CD1-CD2 3.97Å; L612-Y674 HydrophobicContact CD1-CG 4.04Å; L612-Y674 HydrophobicContact CD2-CD1 4Å; L612-Y674 HydrophobicContact CD2-CG 3.97Å; T615-Y674 HydrophobicContact CG2-CE1 4.14Å; T615-Y674 WeakPolarHBondContact OG1-CE1 3.46Å; T615-Y674 PolarHBondContact OG1-OH 2.79Å; V665-Y674 CarbonylContact C-O 3.54Å; V665-Y674 VanDerWaalsContact CA-O 3.32Å; V665-Y674 WeakPolarHBondContact CA-O 3.36Å; A666-Y674 PolarHBondContact N-O 3.26Å; A666-Y674 PolarHBondContact O-N 3.33Å; C668-Y674 HydrophobicContact CB-CD2 4Å; C668-Y674 HydrophobicContact CB-CE2 3.93Å; D670-Y674 PolarHBondContact OD2-OH 3.03Å; K672-Y674 HydrophobicContact CB-CE2 4.17Å; Y674-I683 HydrophobicContact CD1-CG2 3.51Å; Y674-I683 HydrophobicContact CE1-CG2 4.2Å; Y674-I683 HydrophobicContact CG-CG2 4.47Å; Y674-S684 CarbonylContact C-O 3.48Å; Y674-S684 WeakPolarHBondContact CA-O 3.28Å; Y674-T685 HydrophobicContact CD1-CG2 3.53Å; Y674-T685 HydrophobicContact CE1-CG2 3.33Å; Y674-T685 HydrophobicContact CG-CG2 4.43Å
675	C	89.9	Confident	87	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.4	167.3	-52.9	0	0	0	0	108.6	D337 I664 I683 S684	D337-C675 WeakPolarHBondContact OD1-CB 3.29Å; I664-C675 CarbonylContact O-C 3.56Å; I664-C675 WeakPolarHBondContact O-CA 3.19Å; C675-I683 CarbonylContact O-C 3.52Å; C675-I683 WeakPolarHBondContact O-CA 3.39Å; C675-S684 WeakPolarHBondContact CB-OG 3.2Å; C675-S684 PolarHBondContact N-O 2.77Å; C675-S684 PolarHBondContact O-N 3.31Å; C675-S684 PolarHBondContact O-OG 2.85Å
676	V	88.9	Confident	86.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.2	-175.9	-175.6	0	0	0	0	108.3	I569 F610 L612 Y663 I664 Q682 I683	I569-V676 HydrophobicContact CD1-CG2 4.27Å; F610-V676 HydrophobicContact CB-CG1 4.45Å; F610-V676 HydrophobicContact CD1-CG1 3.85Å; F610-V676 HydrophobicContact CD2-CG1 4.35Å; F610-V676 HydrophobicContact CE1-CG1 4.16Å; F610-V676 HydrophobicContact CG-CG1 3.96Å; L612-V676 HydrophobicContact CD2-CG2 3.96Å; Y663-V676 CarbonylContact C-O 3.54Å; Y663-V676 WeakPolarHBondContact CA-O 3.49Å; I664-V676 HydrophobicContact CB-CB 4.35Å; I664-V676 PolarHBondContact N-O 2.74Å; I664-V676 PolarHBondContact O-N 2.89Å; V676-Q682 WeakPolarHBondContact CA-O 3.39Å; V676-I683 HydrophobicContact CG1-CG1 4.36Å; V676-I683 HydrophobicContact CG2-CG1 4.17Å; V676-I683 HydrophobicContact CG2-CG2 4.32Å
677	E	87.1	Confident	86.5	Confident	16 Å²	16	37.6 Å²	37.6	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.3	171.9	-171.6	177	-153.8	0	0	109.2	R335 Y663 S679 T680 G681 Q682	R335-E677 IonicContact NH2-OE1 2.85Å; Y663-E677 HydrophobicContact CD1-CB 4.02Å; Y663-E677 HydrophobicContact CD1-CG 4.4Å; Y663-E677 HydrophobicContact CE1-CB 3.65Å; Y663-E677 HydrophobicContact CE1-CG 3.82Å; E677-S679 VanDerWaalsContact C-N 3.34Å; E677-S679 WeakPolarHBondContact CG-OG 3.15Å; E677-S679 PolarHBondContact O-N 3.42Å; E677-T680 WeakPolarHBondContact CB-OG1 3.18Å; E677-T680 VanDerWaalsContact CD-OG1 3.31Å; E677-T680 HydrophobicContact CG-CG2 4.4Å; E677-T680 WeakPolarHBondContact OE2-CB 3.49Å; E677-T680 WeakPolarHBondContact OE2-CG2 3.41Å; E677-T680 PolarHBondContact OE2-OG1 2.72Å; E677-G681 WeakPolarHBondContact O-CA 3.46Å; E677-G681 PolarHBondContact O-N 3.24Å; E677-Q682 PolarHBondContact N-O 2.92Å
678	I	84.6	Confident	86.1	Confident	37 Å²	37	38.9 Å²	38.9	19%	0.19	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.7	-173.7	-70.2	162.4	0	0	0	111.8	L571 I657 S661 E662 I664	L571-I678 HydrophobicContact CD2-CG2 3.85Å; I657-I678 HydrophobicContact CD1-CD1 3.82Å; S661-I678 WeakPolarHBondContact O-CD1 3.2Å; E662-I678 WeakPolarHBondContact O-CB 3.39Å; E662-I678 PolarHBondContact O-N 2.87Å; I664-I678 HydrophobicContact CD1-CD1 3.85Å; I664-I678 HydrophobicContact CD1-CG1 3.62Å; I664-I678 HydrophobicContact CG1-CD1 3.61Å; I664-I678 HydrophobicContact CG1-CG1 3.69Å
679	S	81	Confident	86.1	Confident	96 Å²	96	39 Å²	39	67%	0.671	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-42.8	-175.5	58.1	0	0	0	0	112.8	E677	E677-S679 VanDerWaalsContact C-N 3.34Å; E677-S679 WeakPolarHBondContact CG-OG 3.15Å; E677-S679 PolarHBondContact O-N 3.42Å
680	T	80.7	Confident	86.2	Confident	87 Å²	87	41.8 Å²	41.8	53%	0.534	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-24.1	-176.7	64.3	0	0	0	0	112.7	E677 Q682	E677-T680 WeakPolarHBondContact CB-OG1 3.18Å; E677-T680 VanDerWaalsContact CD-OG1 3.31Å; E677-T680 HydrophobicContact CG-CG2 4.4Å; E677-T680 WeakPolarHBondContact OE2-CB 3.49Å; E677-T680 WeakPolarHBondContact OE2-CG2 3.41Å; E677-T680 PolarHBondContact OE2-OG1 2.72Å; T680-Q682 PolarHBondContact O-N 2.95Å; T680-Q682 VanDerWaalsContact OG1-CB 3.26Å; T680-Q682 WeakPolarHBondContact OG1-CB 3.38Å; T680-Q682 PolarHBondContact OG1-N 3.37Å
681	G	79.2	Confident	86.4	Confident	28 Å²	28	44.2 Å²	44.2	29%	0.289	25%	0.254	S	S	.	.			trans	69.3	14.5	-167.1	0	0	0	0	0	113.7	E677	E677-G681 WeakPolarHBondContact O-CA 3.46Å; E677-G681 PolarHBondContact O-N 3.24Å
682	Q	83.3	Confident	86.5	Confident	115 Å²	115	44 Å²	44	54%	0.537	25%	0.253	S	S	.	.			trans	-68.7	136.4	175	-173.6	170.1	-1.9	0	0	109.9	V676 E677 T680	V676-Q682 WeakPolarHBondContact CA-O 3.39Å; E677-Q682 PolarHBondContact N-O 2.92Å; T680-Q682 PolarHBondContact O-N 2.95Å; T680-Q682 VanDerWaalsContact OG1-CB 3.26Å; T680-Q682 WeakPolarHBondContact OG1-CB 3.38Å; T680-Q682 PolarHBondContact OG1-N 3.37Å
683	I	85.8	Confident	86.7	Confident	41 Å²	41	42.5 Å²	42.5	21%	0.21	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.2	-179.3	-54.4	169.5	0	0	0	108	L612 T615 Y674 C675 V676	L612-I683 HydrophobicContact CD2-CD1 4.16Å; L612-I683 HydrophobicContact CD2-CG2 4.1Å; T615-I683 HydrophobicContact CG2-CB 3.77Å; T615-I683 HydrophobicContact CG2-CD1 3.91Å; T615-I683 HydrophobicContact CG2-CG1 4.44Å; T615-I683 HydrophobicContact CG2-CG2 3.57Å; Y674-I683 HydrophobicContact CD1-CG2 3.51Å; Y674-I683 HydrophobicContact CE1-CG2 4.2Å; Y674-I683 HydrophobicContact CG-CG2 4.47Å; C675-I683 CarbonylContact O-C 3.52Å; C675-I683 WeakPolarHBondContact O-CA 3.39Å; V676-I683 HydrophobicContact CG1-CG1 4.36Å; V676-I683 HydrophobicContact CG2-CG1 4.17Å; V676-I683 HydrophobicContact CG2-CG2 4.32Å
684	S	86	Confident	86.8	Confident	20 Å²	20	45 Å²	45	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.6	170.7	73.2	0	0	0	0	110.2	D337 Y674 C675	D337-S684 VanDerWaalsContact CA-OG 3.25Å; D337-S684 WeakPolarHBondContact CA-OG 3.37Å; D337-S684 WeakPolarHBondContact CB-OG 3.34Å; D337-S684 PolarHBondContact OD1-OG 3.03Å; Y674-S684 CarbonylContact C-O 3.48Å; Y674-S684 WeakPolarHBondContact CA-O 3.28Å; C675-S684 WeakPolarHBondContact CB-OG 3.2Å; C675-S684 PolarHBondContact N-O 2.77Å; C675-S684 PolarHBondContact O-N 3.31Å; C675-S684 PolarHBondContact O-OG 2.85Å
685	T	85.8	Confident	87	Confident	61 Å²	61	45 Å²	45	37%	0.374	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.7	-178.9	57.1	0	0	0	0	110.7	I673 Y674	I673-T685 CarbonylContact O-C 3.5Å; I673-T685 WeakPolarHBondContact O-CA 3.36Å; Y674-T685 HydrophobicContact CD1-CG2 3.53Å; Y674-T685 HydrophobicContact CE1-CG2 3.33Å; Y674-T685 HydrophobicContact CG-CG2 4.43Å
686	L	87.1	Confident	87.3	Confident	8 Å²	8	45 Å²	45	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.9	167.8	-51.9	174.4	0	0	0	108.5	R339 I673 L705 W717	R339-L686 HydrophobicContact CB-CD1 4.17Å; R339-L686 HydrophobicContact CB-CD2 4.26Å; R339-L686 VanDerWaalsContact O-CD2 3.26Å; R339-L686 WeakPolarHBondContact O-CD2 3.47Å; I673-L686 HydrophobicContact CB-CB 4.19Å; I673-L686 PolarHBondContact N-O 2.99Å; I673-L686 PolarHBondContact O-N 2.84Å; L686-L705 HydrophobicContact CD1-CD2 4.2Å; L686-W717 HydrophobicContact CB-CE3 4.15Å; L686-W717 HydrophobicContact CB-CH2 4.41Å; L686-W717 HydrophobicContact CB-CZ3 3.91Å; L686-W717 HydrophobicContact CD1-CE3 4.38Å
687	Q	86.1	Confident	87.5	Confident	133 Å²	133	45.9 Å²	45.9	62%	0.621	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	139	-178.2	-171.6	173.8	-4.8	0	0	109.8
688	G	83.7	Confident	87.6	Confident	27 Å²	27	45.3 Å²	45.3	28%	0.278	26%	0.261	S	S	.	.			trans	172.5	-14.6	-177	0	0	0	0	0	114.4
689	H	89.8	Confident	87.8	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.023	26%	0.257	C	S	.	.			trans	-89.6	150	169.1	-76.7	-69.6	0	0	0	111.9	S671 V693 S707 S709 D711 C715	S671-H689 VanDerWaalsContact CB-O 3.25Å; S671-H689 WeakPolarHBondContact CB-O 3.33Å; S671-H689 PolarHBondContact OG-O 3.48Å; H689-V693 HydrophobicContact CB-CG2 3.69Å; H689-V693 VanDerWaalsContact CD2-CG2 3.47Å; H689-V693 WeakPolarHBondContact CD2-CG2 3.43Å; H689-S707 PolarHBondContact CD2-OG 3.42Å; H689-S707 PolarHBondContact NE2-OG 2.88Å; H689-S709 VanDerWaalsContact ND1-CB 3.27Å; H689-S709 WeakPolarHBondContact ND1-CB 3.28Å; H689-D711 IonicContact CE1-OD1 3.47Å; H689-D711 IonicContact CE1-OD2 2.79Å; H689-D711 IonicContact CG-OD2 3.17Å; H689-D711 IonicContact ND1-OD1 3.15Å; H689-D711 PolarHBondContact ND1-OD1 3.48Å; H689-D711 IonicContact ND1-OD2 3.63Å; H689-D711 PolarHBondContact ND1-OD2 2.87Å; H689-C715 PolarHBondContact CE1-SG 3.36Å
690	D	88.4	Confident	87.8	Confident	122 Å²	122	42.5 Å²	42.5	65%	0.652	24%	0.235	S	C	*	.	S	Bend	trans	-94	-15.7	-179.2	-60.6	-46.9	0	0	0	112.4	D711 K713	D690-D711 HydrophobicContact CB-CB 4.32Å; D690-D711 PolarHBondContact N-OD2 3.24Å; D690-K713 IonicContact OD2-NZ 3.7Å; D690-K713 PolarHBondContact OD2-NZ 2.91Å
691	D	90.3	Very high	87.7	Confident	76 Å²	76	43.1 Å²	43.1	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-140.3	171.6	-178.1	-159.1	-9.6	0	0	0	111.2	S671 V693 S709 S710 D711	S671-D691 VanDerWaalsContact CA-O 3.3Å; S671-D691 WeakPolarHBondContact CA-O 3.43Å; S671-D691 WeakPolarHBondContact CB-O 3.34Å; D691-V693 PolarHBondContact O-N 2.97Å; D691-S709 VanDerWaalsContact C-OG 3.28Å; D691-S709 PolarHBondContact O-OG 3.46Å; D691-S710 WeakPolarHBondContact OD2-CB 3.42Å; D691-D711 HydrophobicContact CB-CB 3.89Å
692	S	90.6	Very high	87.7	Confident	18 Å²	18	44.3 Å²	44.3	13%	0.126	24%	0.236	C	C	.	.			trans	-40.8	118.9	175.6	51.2	0	0	0	0	112.7	D669 Q694 S709 S710	D669-S692 WeakPolarHBondContact O-CA 3.24Å; D669-S692 WeakPolarHBondContact O-CB 3.44Å; S692-Q694 PolarHBondContact OG-NE2 3.08Å; S692-S709 WeakPolarHBondContact O-CA 3.22Å; S692-S709 PolarHBondContact O-OG 2.9Å; S692-S710 PolarHBondContact O-N 3.35Å; S692-S710 PolarHBondContact O-OG 2.87Å; S692-S710 WeakPolarHBondContact OG-CB 3.4Å; S692-S710 PolarHBondContact OG-OG 3.34Å
693	V	93	Very high	87.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.9	178.3	-171.1	0	0	0	0	107.3	N653 V667 C668 I673 H689 D691 A708	N653-V693 PolarHBondContact ND2-O 3.37Å; V667-V693 HydrophobicContact CB-CG1 4.43Å; V667-V693 HydrophobicContact CG1-CB 3.21Å; V667-V693 HydrophobicContact CG1-CG1 3.18Å; V667-V693 HydrophobicContact CG1-CG2 4.48Å; V667-V693 WeakPolarHBondContact CG1-O 3.42Å; V667-V693 HydrophobicContact CG2-CG1 4.36Å; C668-V693 PolarHBondContact O-N 3.42Å; I673-V693 HydrophobicContact CG1-CG1 4.48Å; H689-V693 HydrophobicContact CB-CG2 3.69Å; H689-V693 VanDerWaalsContact CD2-CG2 3.47Å; H689-V693 WeakPolarHBondContact CD2-CG2 3.43Å; D691-V693 PolarHBondContact O-N 2.97Å; V693-A708 VanDerWaalsContact CG1-O 3.23Å; V693-A708 WeakPolarHBondContact CG1-O 3.29Å
694	Q	92.8	Very high	87.6	Confident	54 Å²	54	39.7 Å²	39.7	25%	0.252	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-41.8	-170.3	-66.6	-59	-30.6	0	0	112.2	I352 N653 S692 A708 S710	I352-Q694 VanDerWaalsContact O-CB 3.28Å; I352-Q694 WeakPolarHBondContact O-CB 3.47Å; I352-Q694 WeakPolarHBondContact O-CG 3.41Å; N653-Q694 WeakPolarHBondContact CB-O 3.17Å; S692-Q694 PolarHBondContact OG-NE2 3.08Å; Q694-A708 PolarHBondContact N-O 3.35Å; Q694-S710 PolarHBondContact NE2-OG 3.01Å
695	S	93.6	Very high	87.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.5	-171.9	-177.3	0	0	0	0	111.7	L355 Q654 S707 A708	L355-S695 PolarHBondContact N-OG 3.44Å; Q654-S695 PolarHBondContact OE1-OG 3.49Å; S695-S707 WeakPolarHBondContact O-CA 3.35Å; S695-A708 PolarHBondContact N-O 3.49Å; S695-A708 PolarHBondContact O-N 3.35Å
696	I	94.6	Very high	88.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	144.3	-179	-171.8	156.6	0	0	0	111.4	Q654 V656 V665 V667 I673 L705 Y706	Q654-I696 HydrophobicContact CB-CG2 4.3Å; Q654-I696 HydrophobicContact CG-CG2 4.17Å; Q654-I696 PolarHBondContact NE2-O 3.45Å; Q654-I696 VanDerWaalsContact NE2-O 3.13Å; V656-I696 HydrophobicContact CG2-CG2 3.85Å; V656-I696 WeakPolarHBondContact CG2-O 3.33Å; V665-I696 HydrophobicContact CB-CD1 4.37Å; V665-I696 HydrophobicContact CG1-CD1 3.45Å; V665-I696 VanDerWaalsContact CG1-CD1 3.45Å; V667-I696 HydrophobicContact CB-CG2 4.22Å; V667-I696 HydrophobicContact CG2-CB 3.52Å; V667-I696 HydrophobicContact CG2-CD1 3.4Å; V667-I696 HydrophobicContact CG2-CG1 4.08Å; V667-I696 HydrophobicContact CG2-CG2 3.34Å; I673-I696 HydrophobicContact CD1-CD1 4.31Å; I673-I696 HydrophobicContact CG2-CD1 3.8Å; I696-L705 HydrophobicContact CD1-CD1 3.49Å; I696-L705 VanDerWaalsContact CD1-CD1 3.49Å; I696-L705 HydrophobicContact CD1-CD2 4.04Å; I696-L705 HydrophobicContact CD1-CG 4.07Å; I696-L705 HydrophobicContact CG1-CD1 3.31Å; I696-L705 HydrophobicContact CG1-CG 4.24Å; I696-Y706 CarbonylContact C-O 3.59Å; I696-Y706 VanDerWaalsContact CA-O 3.31Å; I696-Y706 WeakPolarHBondContact CA-O 3.31Å
697	V	93.4	Very high	88.7	Confident	19 Å²	19	35.5 Å²	35.5	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.9	179.7	-175	0	0	0	0	109.3	L355 I357 L705 Y706	L355-V697 HydrophobicContact CB-CG2 3.69Å; L355-V697 WeakPolarHBondContact O-CG2 3.32Å; I357-V697 HydrophobicContact CB-CG1 3.6Å; I357-V697 HydrophobicContact CG2-CG1 3.3Å; V697-L705 WeakPolarHBondContact O-CD1 3.49Å; V697-Y706 PolarHBondContact N-O 2.86Å; V697-Y706 PolarHBondContact O-N 2.81Å
698	L	90.7	Very high	89.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.2	172.3	-76.7	164.3	0	0	0	108.9	L336 V656 V665 Y700 L705	L336-L698 HydrophobicContact CD1-CD2 4.13Å; L336-L698 HydrophobicContact CD2-CD1 4.34Å; V656-L698 HydrophobicContact CB-CD1 4.13Å; V656-L698 HydrophobicContact CG1-CB 4Å; V656-L698 HydrophobicContact CG1-CD1 3.45Å; V656-L698 VanDerWaalsContact CG1-CD1 3.45Å; V656-L698 HydrophobicContact CG1-CG 3.86Å; V665-L698 HydrophobicContact CG2-CD1 4.36Å; L698-Y700 HydrophobicContact CB-CD1 4.43Å; L698-Y700 HydrophobicContact CB-CE1 4.19Å; L698-L705 HydrophobicContact CD2-CB 3.79Å; L698-L705 HydrophobicContact CD2-CD1 3.45Å; L698-L705 VanDerWaalsContact CD2-CD1 3.45Å; L698-L705 HydrophobicContact CD2-CG 4.17Å; L698-L705 HydrophobicContact CG-CD1 3.73Å
699	D	87.5	Confident	89.6	Confident	18 Å²	18	27.9 Å²	27.9	10%	0.096	15%	0.147	C	C	.	.			trans	-84.4	110.9	163.4	-173.6	-6.7	0	0	0	108.9	I357 E701 S702 G703 Y704 Y706	I357-D699 HydrophobicContact CD1-CB 3.44Å; I357-D699 VanDerWaalsContact CD1-CB 3.44Å; D699-E701 VanDerWaalsContact C-N 3.29Å; D699-E701 PolarHBondContact O-N 3.28Å; D699-E701 PolarHBondContact OD1-N 2.96Å; D699-S702 VanDerWaalsContact CB-OG 3.29Å; D699-S702 WeakPolarHBondContact CB-OG 3.31Å; D699-S702 PolarHBondContact OD1-N 3.48Å; D699-S702 VanDerWaalsContact OD2-CB 3.25Å; D699-S702 WeakPolarHBondContact OD2-CB 3.3Å; D699-S702 PolarHBondContact OD2-OG 2.99Å; D699-G703 CarbonylContact O-C 3.54Å; D699-G703 WeakPolarHBondContact O-CA 3.17Å; D699-G703 PolarHBondContact O-N 3.31Å; D699-Y704 PolarHBondContact N-O 2.99Å; D699-Y706 HydrophobicContact CB-CE2 4.4Å
700	Y	81.1	Confident	89.7	Confident	56 Å²	56	28.6 Å²	28.6	22%	0.22	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.7	-178.5	-64.6	-52.1	0	0	0	113.6	Q555 I657 L659 L698	Q555-Y700 PolarHBondContact NE2-OH 2.76Å; I657-Y700 WeakPolarHBondContact O-CE1 3.38Å; I657-Y700 PolarHBondContact O-OH 3.24Å; L659-Y700 HydrophobicContact CB-CD1 4.43Å; L659-Y700 HydrophobicContact CD1-CD1 4.25Å; L659-Y700 HydrophobicContact CD1-CG 4.23Å; L659-Y700 HydrophobicContact CD2-CD1 3.62Å; L659-Y700 HydrophobicContact CD2-CD2 3.97Å; L659-Y700 HydrophobicContact CD2-CE1 3.96Å; L659-Y700 HydrophobicContact CD2-CE2 4.3Å; L659-Y700 HydrophobicContact CD2-CG 3.59Å; L659-Y700 HydrophobicContact CG-CD1 3.39Å; L659-Y700 HydrophobicContact CG-CE1 3.97Å; L659-Y700 HydrophobicContact CG-CG 3.69Å; L698-Y700 HydrophobicContact CB-CD1 4.43Å; L698-Y700 HydrophobicContact CB-CE1 4.19Å
701	E	78.6	Confident	89.9	Confident	101 Å²	101	23.8 Å²	23.8	47%	0.472	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-47.4	-179.3	-61.5	-157.4	141.3	0	0	112	K325 D699	K325-E701 IonicContact NZ-OE1 3.17Å; K325-E701 PolarHBondContact NZ-OE1 2.91Å; D699-E701 VanDerWaalsContact C-N 3.29Å; D699-E701 PolarHBondContact O-N 3.28Å; D699-E701 PolarHBondContact OD1-N 2.96Å
702	S	79.3	Confident	90.1	Very high	52 Å²	52	23 Å²	23	36%	0.364	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.5	-179.8	71.7	0	0	0	0	113.1	D699 Y704	D699-S702 VanDerWaalsContact CB-OG 3.29Å; D699-S702 WeakPolarHBondContact CB-OG 3.31Å; D699-S702 PolarHBondContact OD1-N 3.48Å; D699-S702 VanDerWaalsContact OD2-CB 3.25Å; D699-S702 WeakPolarHBondContact OD2-CB 3.3Å; D699-S702 PolarHBondContact OD2-OG 2.99Å; S702-Y704 PolarHBondContact O-N 3.04Å; S702-Y704 VanDerWaalsContact OG-CD2 3.32Å; S702-Y704 WeakPolarHBondContact OG-CD2 3.34Å; S702-Y704 PolarHBondContact OG-N 3.38Å
703	G	80.3	Confident	90.3	Very high	15 Å²	15	24.6 Å²	24.6	16%	0.155	13%	0.125	C	C	.	.			trans	76.5	-1	-174.8	0	0	0	0	0	113.4	R339 D699	R339-G703 PolarHBondContact NH1-O 3.32Å; R339-G703 PolarHBondContact NH2-O 2.88Å; D699-G703 CarbonylContact O-C 3.54Å; D699-G703 WeakPolarHBondContact O-CA 3.17Å; D699-G703 PolarHBondContact O-N 3.31Å
704	Y	87.7	Confident	90.4	Very high	45 Å²	45	24.7 Å²	24.7	18%	0.176	13%	0.126	C	C	.	.			trans	-70.3	147.8	-179.8	-78.1	-98.4	0	0	0	112.4	P379 D699 S702 Y706 S716 I718	P379-Y704 HydrophobicContact CB-CD2 4.25Å; P379-Y704 HydrophobicContact CB-CE1 4.21Å; P379-Y704 HydrophobicContact CB-CE2 3.89Å; P379-Y704 HydrophobicContact CG-CE2 4.5Å; D699-Y704 PolarHBondContact N-O 2.99Å; S702-Y704 PolarHBondContact O-N 3.04Å; S702-Y704 VanDerWaalsContact OG-CD2 3.32Å; S702-Y704 WeakPolarHBondContact OG-CD2 3.34Å; S702-Y704 PolarHBondContact OG-N 3.38Å; Y704-Y706 WeakPolarHBondContact CB-OH 3.37Å; Y704-S716 VanDerWaalsContact CD1-OG 3.3Å; Y704-S716 WeakPolarHBondContact CD1-OG 3.43Å; Y704-I718 HydrophobicContact CD1-CB 4.16Å; Y704-I718 HydrophobicContact CD1-CD1 4.29Å; Y704-I718 HydrophobicContact CD2-CD1 4.45Å; Y704-I718 HydrophobicContact CE1-CB 3.96Å; Y704-I718 HydrophobicContact CE1-CD1 3.62Å; Y704-I718 HydrophobicContact CE1-CG1 4.29Å; Y704-I718 HydrophobicContact CE2-CD1 3.82Å; Y704-I718 WeakPolarHBondContact OH-CD1 3.29Å
705	L	91.4	Very high	90.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.6	172	172.7	64.9	0	0	0	108.9	R339 V665 L686 I696 V697 L698 S716 W717	R339-L705 VanDerWaalsContact NH1-CB 3.3Å; V665-L705 HydrophobicContact CG1-CD2 4.3Å; L686-L705 HydrophobicContact CD1-CD2 4.2Å; I696-L705 HydrophobicContact CD1-CD1 3.49Å; I696-L705 VanDerWaalsContact CD1-CD1 3.49Å; I696-L705 HydrophobicContact CD1-CD2 4.04Å; I696-L705 HydrophobicContact CD1-CG 4.07Å; I696-L705 HydrophobicContact CG1-CD1 3.31Å; I696-L705 HydrophobicContact CG1-CG 4.24Å; V697-L705 WeakPolarHBondContact O-CD1 3.49Å; L698-L705 HydrophobicContact CD2-CB 3.79Å; L698-L705 HydrophobicContact CD2-CD1 3.45Å; L698-L705 VanDerWaalsContact CD2-CD1 3.45Å; L698-L705 HydrophobicContact CD2-CG 4.17Å; L698-L705 HydrophobicContact CG-CD1 3.73Å; L705-S716 CarbonylContact O-C 3.59Å; L705-S716 WeakPolarHBondContact O-CA 3.47Å; L705-W717 HydrophobicContact CB-CB 4.1Å; L705-W717 HydrophobicContact CD2-CB 4.31Å; L705-W717 HydrophobicContact CD2-CG 4.33Å; L705-W717 HydrophobicContact CG-CB 4.46Å; L705-W717 HydrophobicContact CG-CG 4.5Å; L705-W717 PolarHBondContact N-O 3.29Å; L705-W717 PolarHBondContact O-N 3.26Å
706	Y	94.8	Very high	90.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	178	-63.9	-74.4	0	0	0	110.1	L364 I378 P379 L381 I696 V697 D699 Y704 C715 S716	L364-Y706 HydrophobicContact CD1-CD2 4.42Å; L364-Y706 HydrophobicContact CD1-CG 4.34Å; L364-Y706 HydrophobicContact CD2-CD1 4.03Å; L364-Y706 HydrophobicContact CD2-CG 3.98Å; I378-Y706 HydrophobicContact CD1-CD2 3.86Å; I378-Y706 HydrophobicContact CD1-CE2 3.35Å; I378-Y706 HydrophobicContact CG1-CE1 4.27Å; I378-Y706 HydrophobicContact CG1-CE2 3.77Å; I378-Y706 HydrophobicContact CG2-CE2 4.19Å; I378-Y706 WeakPolarHBondContact CG2-OH 3.31Å; P379-Y706 WeakPolarHBondContact CA-OH 3.39Å; L381-Y706 HydrophobicContact CD1-CD1 4.45Å; L381-Y706 HydrophobicContact CD1-CE1 4.32Å; L381-Y706 HydrophobicContact CD2-CD1 4.02Å; L381-Y706 HydrophobicContact CD2-CE1 3.85Å; L381-Y706 HydrophobicContact CG-CE1 4.15Å; I696-Y706 CarbonylContact C-O 3.59Å; I696-Y706 VanDerWaalsContact CA-O 3.31Å; I696-Y706 WeakPolarHBondContact CA-O 3.31Å; V697-Y706 PolarHBondContact N-O 2.86Å; V697-Y706 PolarHBondContact O-N 2.81Å; D699-Y706 HydrophobicContact CB-CE2 4.4Å; Y704-Y706 WeakPolarHBondContact CB-OH 3.37Å; Y706-C715 CarbonylContact C-O 3.46Å; Y706-C715 VanDerWaalsContact CA-O 3.31Å; Y706-C715 WeakPolarHBondContact CA-O 3.18Å; Y706-S716 WeakPolarHBondContact CE1-OG 3.03Å
707	S	94.6	Very high	90.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.8	175.6	61.5	0	0	0	0	111.5	H689 S695 V714 C715 W717	H689-S707 PolarHBondContact CD2-OG 3.42Å; H689-S707 PolarHBondContact NE2-OG 2.88Å; S695-S707 WeakPolarHBondContact O-CA 3.35Å; S707-V714 WeakPolarHBondContact O-CA 3.28Å; S707-C715 PolarHBondContact N-O 3.4Å; S707-C715 PolarHBondContact O-N 2.84Å; S707-W717 PolarHBondContact OG-NE1 3.42Å
708	A	94.7	Very high	89.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.5	176.8	0	0	0	0	0	109.9	I352 L355 V693 Q694 S695	I352-A708 HydrophobicContact CB-CB 3.9Å; I352-A708 HydrophobicContact CD1-CB 4.33Å; I352-A708 HydrophobicContact CG2-CB 3.45Å; I352-A708 VanDerWaalsContact CG2-CB 3.45Å; L355-A708 HydrophobicContact CD1-CB 3.46Å; L355-A708 VanDerWaalsContact CD1-CB 3.46Å; L355-A708 HydrophobicContact CD2-CB 4.05Å; L355-A708 HydrophobicContact CG-CB 3.5Å; V693-A708 VanDerWaalsContact CG1-O 3.23Å; V693-A708 WeakPolarHBondContact CG1-O 3.29Å; Q694-A708 PolarHBondContact N-O 3.35Å; S695-A708 PolarHBondContact N-O 3.49Å; S695-A708 PolarHBondContact O-N 3.35Å
709	S	94.2	Very high	89.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164	-176.4	166.7	0	0	0	0	112.2	I352 H689 D691 S692 D711 Q712 K713	I352-S709 PolarHBondContact N-O 2.96Å; H689-S709 VanDerWaalsContact ND1-CB 3.27Å; H689-S709 WeakPolarHBondContact ND1-CB 3.28Å; D691-S709 VanDerWaalsContact C-OG 3.28Å; D691-S709 PolarHBondContact O-OG 3.46Å; S692-S709 WeakPolarHBondContact O-CA 3.22Å; S692-S709 PolarHBondContact O-OG 2.9Å; S709-D711 WeakPolarHBondContact CB-OD1 3.21Å; S709-D711 PolarHBondContact O-N 3.45Å; S709-D711 VanDerWaalsContact OG-CG 3.28Å; S709-D711 PolarHBondContact OG-N 2.89Å; S709-D711 VanDerWaalsContact OG-N 3.15Å; S709-D711 PolarHBondContact OG-OD1 3.42Å; S709-Q712 PolarHBondContact O-N 3.31Å; S709-K713 PolarHBondContact N-O 3.41Å
710	S	92.7	Very high	89.9	Confident	21 Å²	21	26.7 Å²	26.7	15%	0.147	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.2	168.8	-54.4	0	0	0	0	112.8	D691 S692 Q694 Q712	D691-S710 WeakPolarHBondContact OD2-CB 3.42Å; S692-S710 PolarHBondContact O-N 3.35Å; S692-S710 PolarHBondContact O-OG 2.87Å; S692-S710 WeakPolarHBondContact OG-CB 3.4Å; S692-S710 PolarHBondContact OG-OG 3.34Å; Q694-S710 PolarHBondContact NE2-OG 3.01Å; S710-Q712 PolarHBondContact O-N 3.07Å
711	D	92.7	Very high	90.3	Very high	20 Å²	20	25.1 Å²	25.1	11%	0.107	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	3.2	171.2	71.8	5	0	0	0	113.9	H689 D690 D691 S709 K713	H689-D711 IonicContact CE1-OD1 3.47Å; H689-D711 IonicContact CE1-OD2 2.79Å; H689-D711 IonicContact CG-OD2 3.17Å; H689-D711 IonicContact ND1-OD1 3.15Å; H689-D711 PolarHBondContact ND1-OD1 3.48Å; H689-D711 IonicContact ND1-OD2 3.63Å; H689-D711 PolarHBondContact ND1-OD2 2.87Å; D690-D711 HydrophobicContact CB-CB 4.32Å; D690-D711 PolarHBondContact N-OD2 3.24Å; D691-D711 HydrophobicContact CB-CB 3.89Å; S709-D711 WeakPolarHBondContact CB-OD1 3.21Å; S709-D711 PolarHBondContact O-N 3.45Å; S709-D711 VanDerWaalsContact OG-CG 3.28Å; S709-D711 PolarHBondContact OG-N 2.89Å; S709-D711 VanDerWaalsContact OG-N 3.15Å; S709-D711 PolarHBondContact OG-OD1 3.42Å; D711-K713 PolarHBondContact O-N 2.94Å; D711-K713 VanDerWaalsContact OD1-CB 3.29Å; D711-K713 WeakPolarHBondContact OD1-CB 3.41Å; D711-K713 PolarHBondContact OD1-N 3.31Å
712	Q	94.3	Very high	91	Very high	59 Å²	59	20.6 Å²	20.6	28%	0.276	11%	0.111	S	C	.	.	S	Bend	trans	70.8	11.1	175.6	-37.3	175.4	-7.8	0	0	113.4	H346 A347 H348 N349 A350 S709 S710	H346-Q712 PolarHBondContact CE1-OE1 3.45Å; H346-Q712 PolarHBondContact NE2-OE1 3.05Å; A347-Q712 PolarHBondContact N-O 2.86Å; H348-Q712 PolarHBondContact N-O 2.9Å; H348-Q712 WeakPolarHBondContact O-CB 3.36Å; N349-Q712 PolarHBondContact O-NE2 2.61Å; A350-Q712 WeakPolarHBondContact O-CG 3.26Å; S709-Q712 PolarHBondContact O-N 3.31Å; S710-Q712 PolarHBondContact O-N 3.07Å
713	K	94.7	Very high	91.8	Very high	53 Å²	53	18.6 Å²	18.6	23%	0.23	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.5	-179.5	-59.8	167.1	-177.1	170.3	0	111.9	I345 D690 S709 D711	I345-K713 CarbonylContact O-C 3.53Å; I345-K713 WeakPolarHBondContact O-CA 3.44Å; D690-K713 IonicContact OD2-NZ 3.7Å; D690-K713 PolarHBondContact OD2-NZ 2.91Å; S709-K713 PolarHBondContact N-O 3.41Å; D711-K713 PolarHBondContact O-N 2.94Å; D711-K713 VanDerWaalsContact OD1-CB 3.29Å; D711-K713 WeakPolarHBondContact OD1-CB 3.41Å; D711-K713 PolarHBondContact OD1-N 3.31Å
714	V	95	Very high	92.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.7	162.9	177.8	0	0	0	0	108	I345 A347 I352 L355 L364 L381 S707	I345-V714 PolarHBondContact N-O 3.02Å; I345-V714 PolarHBondContact O-N 3.49Å; A347-V714 HydrophobicContact CB-CB 4.3Å; A347-V714 HydrophobicContact CB-CG2 3.61Å; I352-V714 HydrophobicContact CD1-CG2 3.61Å; L355-V714 HydrophobicContact CD2-CG2 4.21Å; L364-V714 HydrophobicContact CD2-CG1 3.92Å; L381-V714 HydrophobicContact CD1-CG1 4.17Å; L381-V714 HydrophobicContact CD2-CG1 4.35Å; S707-V714 WeakPolarHBondContact O-CA 3.28Å
715	C	93.8	Very high	92.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.8	-178.3	-71.3	0	0	0	0	110.7	L341 I343 H689 Y706 S707 W717	L341-C715 HydrophobicContact CD1-CB 3.55Å; I343-C715 CarbonylContact O-C 3.59Å; I343-C715 WeakPolarHBondContact O-CA 3.49Å; H689-C715 PolarHBondContact CE1-SG 3.36Å; Y706-C715 CarbonylContact C-O 3.46Å; Y706-C715 VanDerWaalsContact CA-O 3.31Å; Y706-C715 WeakPolarHBondContact CA-O 3.18Å; S707-C715 PolarHBondContact N-O 3.4Å; S707-C715 PolarHBondContact O-N 2.84Å; C715-W717 HydrophobicContact CB-CZ2 4.14Å
716	S	92.8	Very high	93	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.1	173.1	-174.6	0	0	0	0	109.4	D342 I343 Y704 L705 Y706	D342-S716 PolarHBondContact N-O 3.41Å; I343-S716 PolarHBondContact N-O 3.01Å; I343-S716 PolarHBondContact O-N 3.48Å; Y704-S716 VanDerWaalsContact CD1-OG 3.3Å; Y704-S716 WeakPolarHBondContact CD1-OG 3.43Å; L705-S716 CarbonylContact O-C 3.59Å; L705-S716 WeakPolarHBondContact O-CA 3.47Å; Y706-S716 WeakPolarHBondContact CE1-OG 3.03Å
717	W	89.8	Confident	92.9	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.7	-178.5	-43.5	74.8	0	0	0	111	R339 K340 L341 I673 L686 L705 S707 C715	R339-W717 HydrophobicContact CB-CB 4.35Å; R339-W717 PolarHBondContact NH1-O 2.95Å; K340-W717 WeakPolarHBondContact O-CA 3.47Å; L341-W717 HydrophobicContact CB-CE3 4.03Å; L341-W717 HydrophobicContact CB-CH2 4.45Å; L341-W717 HydrophobicContact CB-CZ3 3.9Å; L341-W717 HydrophobicContact CD1-CD2 4.19Å; L341-W717 HydrophobicContact CD1-CE3 4.31Å; L341-W717 HydrophobicContact CD1-CH2 4.15Å; L341-W717 HydrophobicContact CD1-CZ2 4.02Å; L341-W717 HydrophobicContact CD1-CZ3 4.29Å; I673-W717 HydrophobicContact CD1-CH2 4.43Å; I673-W717 HydrophobicContact CD1-CZ2 3.65Å; L686-W717 HydrophobicContact CB-CE3 4.15Å; L686-W717 HydrophobicContact CB-CH2 4.41Å; L686-W717 HydrophobicContact CB-CZ3 3.91Å; L686-W717 HydrophobicContact CD1-CE3 4.38Å; L705-W717 HydrophobicContact CB-CB 4.1Å; L705-W717 HydrophobicContact CD2-CB 4.31Å; L705-W717 HydrophobicContact CD2-CG 4.33Å; L705-W717 HydrophobicContact CG-CB 4.46Å; L705-W717 HydrophobicContact CG-CG 4.5Å; L705-W717 PolarHBondContact N-O 3.29Å; L705-W717 PolarHBondContact O-N 3.26Å; S707-W717 PolarHBondContact OG-NE1 3.42Å; C715-W717 HydrophobicContact CB-CZ2 4.14Å
718	I	84.9	Confident	92.7	Very high	79 Å²	79	21.6 Å²	21.6	41%	0.405	11%	0.108	S	C	.	.			trans	-131.3	0	-178.3	-169.6	159.7	0	0	0	113.3	T334 R339 K340 D342 Y704	T334-I718 PolarHBondContact OG1-OXT 3.05Å; R339-I718 CarbonylContact C-O 3.56Å; R339-I718 WeakPolarHBondContact CA-O 3.34Å; R339-I718 WeakPolarHBondContact CB-O 3.39Å; R339-I718 WeakPolarHBondContact CG-OXT 3.28Å; K340-I718 PolarHBondContact N-O 3.45Å; K340-I718 PolarHBondContact O-N 3.25Å; K340-I718 VanDerWaalsContact O-N 3.13Å; D342-I718 HydrophobicContact CB-CG2 3.94Å; Y704-I718 HydrophobicContact CD1-CB 4.16Å; Y704-I718 HydrophobicContact CD1-CD1 4.29Å; Y704-I718 HydrophobicContact CD2-CD1 4.45Å; Y704-I718 HydrophobicContact CE1-CB 3.96Å; Y704-I718 HydrophobicContact CE1-CD1 3.62Å; Y704-I718 HydrophobicContact CE1-CG1 4.29Å; Y704-I718 HydrophobicContact CE2-CD1 3.82Å; Y704-I718 WeakPolarHBondContact OH-CD1 3.29Å

Retrieved 718 of 718 residues in 1509.8 ms (Link to these results)

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