A0A5K4F3Q7_SCHMA Loading...

Aamy domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Q7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 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	38.5	Very low	37.6	Very low	249 Å²	249	168 Å²	168	100%	1.227	82%	0.822	S	S	*	*				0	110.3	0	-93.8	172	170.1	0	0	107.1
2	T	33.3	Very low	38	Very low	136 Å²	136	170.5 Å²	170.5	83%	0.834	83%	0.825	S	S	*	*			trans	-82.7	162.8	-167.5	-5	0	0	0	0	111.8
3	D	38.2	Very low	37.7	Very low	135 Å²	135	169.5 Å²	169.5	72%	0.722	83%	0.826	S	S	*	*			trans	88	110.7	146.7	-108.2	20.5	0	0	0	118.5
4	R	40.8	Very low	38.3	Very low	213 Å²	213	166.5 Å²	166.5	80%	0.804	83%	0.827	S	S	*	*				171.8	143.6	94	-102	174.3	-172.7	-161.3	2	116
5	L	41	Very low	38.2	Very low	135 Å²	135	166.9 Å²	166.9	71%	0.707	83%	0.825	S	S	*	*			trans	97.9	99.4	136.4	-77.5	156.4	0	0	0	120.9	F7	L5-F7 HydrophobicContact CD2-CE2 4.28Å
6	L	32.7	Very low	38.2	Very low	158 Å²	158	166.4 Å²	166.4	83%	0.827	82%	0.82	S	S	*	*			trans	-63.8	147.3	146.7	-81.8	144.7	0	0	0	112
7	F	41.9	Very low	38	Very low	198 Å²	198	169 Å²	169	87%	0.868	82%	0.819	S	S	*	*			trans	-132.6	140.1	147.5	-97.1	-81.5	0	0	0	110.5	L5	L5-F7 HydrophobicContact CD2-CE2 4.28Å
8	M	34.1	Very low	37.8	Very low	157 Å²	157	166.1 Å²	166.1	77%	0.773	81%	0.813	S	S	*	*			trans	-107.6	156.3	-162.9	-126.9	-179.5	163.2	0	0	110.6
9	N	37.1	Very low	37.8	Very low	115 Å²	115	167.2 Å²	167.2	62%	0.615	82%	0.816	S	S	*	*				119.2	120.6	129.4	-78.8	-10.6	0	0	0	121.9
10	N	36.1	Very low	37.4	Very low	127 Å²	127	170.5 Å²	170.5	68%	0.679	82%	0.819	S	S	*	*				84.1	111.9	126.3	-67.3	-15.8	0	0	0	121.6
11	F	39.4	Very low	37.5	Very low	225 Å²	225	170.2 Å²	170.2	99%	0.987	82%	0.823	S	S	*	*			trans	-136.8	140.8	130.8	-103.8	-85.7	0	0	0	110.7
12	K	42.4	Very low	37.1	Very low	198 Å²	198	167.5 Å²	167.5	86%	0.861	80%	0.804	S	S	*	*			trans	-84.9	150.3	-164.7	-74.3	168.5	165.2	177	0	114.3
13	D	34.3	Very low	37.4	Very low	157 Å²	157	167.5 Å²	167.5	84%	0.84	80%	0.803	S	S	*	*			trans	-85.3	167	157.5	-103	-26.2	0	0	0	112.3
14	P	45.9	Very low	37.2	Very low	128 Å²	128	168 Å²	168	83%	0.831	81%	0.806	S	S	*	*				-136.9	149	123.4	33.5	-18.2	0	0	0	115.8
15	E	37.6	Very low	37.2	Very low	172 Å²	172	164.5 Å²	164.5	80%	0.804	81%	0.808	S	S	*	*			trans	-57.1	150.4	176.7	-58.7	176.8	141.1	0	0	116.1
16	Q	37.3	Very low	37	Very low	160 Å²	160	167 Å²	167	75%	0.748	82%	0.816	S	S	*	*				172	130.5	99.3	-96.4	-166.9	7.6	0	0	115.4
17	R	35.7	Very low	37	Very low	210 Å²	210	167.4 Å²	167.4	79%	0.792	82%	0.819	S	S	*	*			trans	71.9	120.3	136.2	-106.1	-178.9	176.8	168.4	-1.9	124
18	T	34.9	Very low	36.6	Very low	117 Å²	117	161.8 Å²	161.8	72%	0.718	82%	0.817	S	S	*	*			trans	57.8	128	137.5	29.2	0	0	0	0	117.9
19	E	36.2	Very low	36.5	Very low	187 Å²	187	163 Å²	163	87%	0.874	82%	0.821	S	S	*	*				-169.3	159.8	59.3	-131.4	167.5	-164	0	0	111.3
20	R	30.8	Very low	36.5	Very low	232 Å²	232	166.8 Å²	166.8	88%	0.875	83%	0.834	S	S	*	*			trans	-60.8	143.2	178.9	-71.6	169.8	176.2	170.4	-1.1	112.6
21	N	38.3	Very low	36.2	Very low	166 Å²	166	165.4 Å²	165.4	89%	0.888	83%	0.834	S	S	*	*			trans	-144.4	122.3	141.2	-91.9	-31.5	0	0	0	110.8
22	K	31.9	Very low	36.1	Very low	191 Å²	191	163.5 Å²	163.5	83%	0.83	83%	0.828	S	S	*	*			trans	-75.5	137.7	164.4	-77.6	176.8	170.2	-176	0	107.7
23	V	38.9	Very low	35.8	Very low	136 Å²	136	158.3 Å²	158.3	82%	0.824	82%	0.817	S	S	*	*			trans	-127.7	126.6	158.4	176.8	0	0	0	0	107
24	D	34.6	Very low	36.1	Very low	145 Å²	145	160.3 Å²	160.3	78%	0.775	82%	0.818	S	S	*	*			trans	-64.9	140.7	-175.9	-57.2	-61.7	0	0	0	111.8
25	V	39.4	Very low	35.5	Very low	141 Å²	141	161.7 Å²	161.7	86%	0.855	82%	0.818	S	S	*	*			trans	-119.1	119.3	163.7	175.5	0	0	0	0	107
26	E	38.3	Very low	35.3	Very low	188 Å²	188	161.1 Å²	161.1	88%	0.879	82%	0.82	S	S	*	*			trans	-60.5	145.8	-179.1	-77.2	173.8	134.9	0	0	113.4
27	N	31.5	Very low	35.4	Very low	166 Å²	166	159.9 Å²	159.9	89%	0.888	82%	0.819	S	S	*	*			trans	-65.1	132.4	174	-71.5	-40.5	0	0	0	111.9
28	G	34.8	Very low	35.3	Very low	79 Å²	79	159.7 Å²	159.7	81%	0.814	82%	0.824	S	S	*	*			trans	-124.4	99.2	159.2	0	0	0	0	0	109.1
29	E	31.5	Very low	35.6	Very low	183 Å²	183	160.3 Å²	160.3	86%	0.855	83%	0.827	S	S	*	*			trans	-65.7	131.9	172.4	-68.9	177.8	142.3	0	0	110.7
30	H	36.6	Very low	35.3	Very low	194 Å²	194	161 Å²	161	90%	0.898	83%	0.828	S	S	*	*			trans	-146.3	114.1	144.4	-112.8	-25.7	0	0	0	112
31	S	30.3	Very low	35.6	Very low	98 Å²	98	158.8 Å²	158.8	69%	0.685	83%	0.825	S	S	*	*			trans	-67.6	136.6	171.7	55.6	0	0	0	0	112.6
32	H	37.8	Very low	35.4	Very low	185 Å²	185	157.6 Å²	157.6	86%	0.856	81%	0.814	S	S	*	*			trans	-150.3	103.7	143.6	-105.7	-38.3	0	0	0	111.8
33	S	35.3	Very low	35.7	Very low	90 Å²	90	155.3 Å²	155.3	63%	0.629	81%	0.806	S	S	*	*				48.6	111.2	120.7	164.5	0	0	0	0	118.9
34	K	39.5	Very low	35.6	Very low	199 Å²	199	155.6 Å²	155.6	87%	0.865	80%	0.798	S	S	*	*				-176.1	124	104.3	-100.1	173.2	-173.9	176.8	0	112.5
35	N	33.7	Very low	35.7	Very low	156 Å²	156	155.7 Å²	155.7	83%	0.834	80%	0.799	S	S	*	*			trans	-62.3	148.5	166.1	-77.4	-42.4	0	0	0	112.3
36	L	35	Very low	35.6	Very low	160 Å²	160	153.8 Å²	153.8	84%	0.838	80%	0.798	S	S	*	*			trans	-158.8	112.9	132.9	-139.5	81	0	0	0	112.8
37	D	38.5	Very low	35.6	Very low	134 Å²	134	153.9 Å²	153.9	72%	0.717	80%	0.801	S	S	*	*			trans	57.8	109	143.5	-68.5	-21.1	0	0	0	124.2
38	K	33.5	Very low	35.8	Very low	206 Å²	206	151.3 Å²	151.3	90%	0.896	80%	0.795	S	S	*	*			trans	-106.8	132.8	138.8	-96.3	179	175.2	176.4	0	108.3
39	T	41.8	Very low	35.8	Very low	130 Å²	130	153.8 Å²	153.8	80%	0.798	80%	0.799	S	S	*	*			trans	-126.4	120.6	163.3	-39.2	0	0	0	0	109.3
40	F	29.8	Very low	36.1	Very low	202 Å²	202	149.8 Å²	149.8	89%	0.886	79%	0.791	S	S	*	*			trans	-121.2	138.5	167.5	-123.3	-86.3	0	0	0	105.4
41	K	35.9	Very low	36.2	Very low	185 Å²	185	146 Å²	146	80%	0.804	79%	0.787	S	S	*	*			trans	156.3	145.9	160.7	-95.4	-173.6	174.1	-168.3	0	109
42	E	35.2	Very low	36.6	Very low	142 Å²	142	150.4 Å²	150.4	66%	0.664	79%	0.793	S	S	*	*			cis	-178.6	163.9	-15.8	-132.8	167.3	-175.9	0	0	106.1
43	Q	37.3	Very low	36.6	Very low	143 Å²	143	146.8 Å²	146.8	67%	0.668	79%	0.789	S	S	*	*			trans	92	109.3	149.1	-75.1	176.3	-58	0	0	124
44	E	37.8	Very low	37	Very low	141 Å²	141	147.9 Å²	147.9	66%	0.659	79%	0.794	S	S	*	*				102	105.2	110.9	-80	170	-170.6	0	0	122.6
45	D	36.7	Very low	36.8	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	79%	0.789	S	S	*	*				68.1	119.4	116.2	-63.3	-4.3	0	0	0	123.4
46	A	37.1	Very low	37.2	Very low	100 Å²	100	145.1 Å²	145.1	83%	0.826	79%	0.787	S	S	*	*				173.4	105.2	99.6	0	0	0	0	0	114.8
47	M	38	Very low	37.3	Very low	191 Å²	191	147.9 Å²	147.9	94%	0.941	79%	0.792	S	S	*	*				39.5	122.1	126.3	-152.6	92.9	165.9	0	0	124.2
48	S	37	Very low	37.3	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	79%	0.789	S	S	*	*			trans	150.7	127	132.2	177.4	0	0	0	0	109.8
49	C	34.4	Very low	37.6	Very low	132 Å²	132	144.4 Å²	144.4	89%	0.892	79%	0.785	S	S	*	*			cis	-157.4	159.6	24.7	-139	0	0	0	0	111.2
50	S	36.9	Very low	37.5	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	79%	0.793	S	S	*	*			trans	-103.3	151.2	-164.4	162.5	0	0	0	0	114.8
51	S	39.4	Very low	38.2	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	78%	0.784	S	S	*	*				179	106.3	122	43.2	0	0	0	0	116.4
52	K	38.5	Very low	38.7	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.826	78%	0.784	S	S	*	*			trans	55	100.1	130.5	-63.7	-178	177.5	179.6	0	124.5
53	S	37.5	Very low	39.8	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	79%	0.791	S	S	*	*				59.6	164.3	109	85.7	0	0	0	0	124.4
54	P	43.8	Very low	41.3	Very low	112 Å²	112	145.6 Å²	145.6	73%	0.727	80%	0.8	S	S	*	*				-140.2	-174.7	-64	40.3	-20.1	0	0	0	113.1
55	V	36.1	Very low	43.2	Very low	128 Å²	128	143.3 Å²	143.3	78%	0.776	79%	0.792	S	S	*	*			trans	149.4	136.2	144.4	168.3	0	0	0	0	112.9
56	H	40.2	Very low	45.5	Very low	169 Å²	169	139.6 Å²	139.6	78%	0.782	78%	0.775	S	S	*	*			trans	82.5	85.9	176.4	-89.3	-66.8	0	0	0	119.7
57	K	37.5	Very low	47.7	Very low	219 Å²	219	143.6 Å²	143.6	95%	0.952	77%	0.769	S	S	*	*			trans	-130	86.5	161.8	-133.9	-179.3	-170.8	-179.3	0	108.5
58	S	38.7	Very low	49.9	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	75%	0.748	S	S	*	*			trans	-147.7	66.6	178.3	64	0	0	0	0	111.3
59	Q	40.3	Very low	52.1	Low	174 Å²	174	136.8 Å²	136.8	81%	0.813	72%	0.724	S	S	*	*			trans	-158.5	62.8	160.7	-87.9	-159.9	-28.5	0	0	108.9	E61	Q59-E61 VanDerWaalsContact C-N 3.27Å; Q59-E61 PolarHBondContact O-N 2.88Å
60	L	39.8	Very low	54.3	Low	183 Å²	183	134.9 Å²	134.9	96%	0.958	70%	0.704	S	S	*	*			trans	-96.9	58.9	167.5	-149.8	89.2	0	0	0	108.1
61	E	43.5	Very low	56.6	Low	150 Å²	150	133.6 Å²	133.6	70%	0.701	69%	0.689	S	S	*	*			trans	-74	130	175.4	-84.7	-178.8	158.1	0	0	110.2	Q59 R63	Q59-E61 VanDerWaalsContact C-N 3.27Å; Q59-E61 PolarHBondContact O-N 2.88Å; E61-R63 PolarHBondContact O-N 3.17Å
62	S	46.6	Very low	58.7	Low	117 Å²	117	132.3 Å²	132.3	82%	0.818	67%	0.673	S	S	*	*			trans	-35.5	90.5	160.3	51.4	0	0	0	0	113.8	L64	S62-L64 PolarHBondContact O-N 3.16Å
63	R	58.3	Low	60.8	Low	212 Å²	212	126.1 Å²	126.1	80%	0.8	65%	0.649	S	S	*	*			trans	-87.4	93.7	168.7	-69.7	-178.7	102.3	174.2	3.9	108.6	E61 L65	E61-R63 PolarHBondContact O-N 3.17Å; R63-L65 PolarHBondContact O-N 3.2Å; R63-L65 VanDerWaalsContact O-N 3.17Å
64	L	69.9	Low	62.9	Low	165 Å²	165	123.7 Å²	123.7	86%	0.864	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.1	117.2	151.8	-74.5	167.7	0	0	0	106.2	S62 T66	S62-L64 PolarHBondContact O-N 3.16Å; L64-T66 PolarHBondContact O-N 3.14Å
65	L	77.8	Confident	64.8	Low	94 Å²	94	125.9 Å²	125.9	49%	0.492	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-58.7	126.5	177.4	-73.2	154.2	0	0	0	108.6	R63 D69 L70	R63-L65 PolarHBondContact O-N 3.2Å; R63-L65 VanDerWaalsContact O-N 3.17Å; L65-D69 HydrophobicContact CB-CB 4.02Å; L65-D69 HydrophobicContact CD2-CB 3.5Å; L65-D69 VanDerWaalsContact CD2-CB 3.5Å; L65-D69 HydrophobicContact CG-CB 4.39Å; L65-L70 HydrophobicContact CB-CD2 4.07Å; L65-L70 HydrophobicContact CB-CG 4.04Å; L65-L70 HydrophobicContact CD1-CD2 4.11Å
66	T	83.6	Confident	67	Low	70 Å²	70	124.8 Å²	124.8	43%	0.429	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-68.3	166.7	172.9	61.4	0	0	0	0	110.2	L64 E68 D69 L70	L64-T66 PolarHBondContact O-N 3.14Å; T66-E68 PolarHBondContact O-N 3.25Å; T66-D69 WeakPolarHBondContact CB-OD2 3.34Å; T66-D69 PolarHBondContact N-OD2 3.08Å; T66-D69 PolarHBondContact O-N 2.62Å; T66-D69 VanDerWaalsContact O-N 3.1Å; T66-D69 PolarHBondContact OG1-N 2.69Å; T66-D69 PolarHBondContact OG1-OD2 2.93Å; T66-L70 PolarHBondContact O-N 2.94Å
67	R	84.8	Confident	69.2	Low	184 Å²	184	121 Å²	121	69%	0.694	60%	0.602	S	S	*	*	H	α-helix	trans	-55.6	-40.6	175.2	177.5	-177	176	-136	3.6	110.8	L70 I71	R67-L70 PolarHBondContact O-N 3.41Å; R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 VanDerWaalsContact O-CG1 3.29Å; R67-I71 WeakPolarHBondContact O-CG1 3.15Å; R67-I71 PolarHBondContact O-N 2.72Å
68	E	84.1	Confident	71.4	Confident	106 Å²	106	113 Å²	113	50%	0.495	57%	0.573	S	S	.	*	H	α-helix	trans	-65.4	-41	177.8	-69.4	64.6	-141.2	0	0	111.3	T66 I71 N72	T66-E68 PolarHBondContact O-N 3.25Å; E68-I71 PolarHBondContact O-N 2.9Å; E68-N72 PolarHBondContact O-N 2.88Å
69	D	82.3	Confident	73.7	Confident	53 Å²	53	112.8 Å²	112.8	28%	0.283	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-41.6	175.1	-60.8	-42.8	0	0	0	111.6	L65 T66 N72 L73	L65-D69 HydrophobicContact CB-CB 4.02Å; L65-D69 HydrophobicContact CD2-CB 3.5Å; L65-D69 VanDerWaalsContact CD2-CB 3.5Å; L65-D69 HydrophobicContact CG-CB 4.39Å; T66-D69 WeakPolarHBondContact CB-OD2 3.34Å; T66-D69 PolarHBondContact N-OD2 3.08Å; T66-D69 PolarHBondContact O-N 2.62Å; T66-D69 VanDerWaalsContact O-N 3.1Å; T66-D69 PolarHBondContact OG1-N 2.69Å; T66-D69 PolarHBondContact OG1-OD2 2.93Å; D69-N72 PolarHBondContact O-N 2.82Å; D69-L73 WeakPolarHBondContact O-CB 3.2Å; D69-L73 PolarHBondContact O-N 3.44Å
70	L	81.8	Confident	75.8	Confident	91 Å²	91	111.3 Å²	111.3	48%	0.476	55%	0.548	S	S	.	.	H	α-helix	trans	-66	-40.2	176.5	-70.8	171	0	0	0	112.6	L65 T66 R67 N72 L73 D74	L65-L70 HydrophobicContact CB-CD2 4.07Å; L65-L70 HydrophobicContact CB-CG 4.04Å; L65-L70 HydrophobicContact CD1-CD2 4.11Å; T66-L70 PolarHBondContact O-N 2.94Å; R67-L70 PolarHBondContact O-N 3.41Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-L73 PolarHBondContact O-N 2.81Å; L70-D74 PolarHBondContact O-N 2.83Å
71	I	84	Confident	78	Confident	72 Å²	72	106.8 Å²	106.8	37%	0.369	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175.7	-70.5	167.3	0	0	0	110.6	R67 E68 K75	R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 VanDerWaalsContact O-CG1 3.29Å; R67-I71 WeakPolarHBondContact O-CG1 3.15Å; R67-I71 PolarHBondContact O-N 2.72Å; E68-I71 PolarHBondContact O-N 2.9Å; I71-K75 WeakPolarHBondContact O-CG 3.13Å; I71-K75 PolarHBondContact O-N 3.16Å
72	N	83.5	Confident	80.2	Confident	89 Å²	89	107.2 Å²	107.2	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-68.2	-40.5	174.5	-81.1	-19.4	0	0	0	111.6	E68 D69 L70 D74 K75 T76	E68-N72 PolarHBondContact O-N 2.88Å; D69-N72 PolarHBondContact O-N 2.82Å; L70-N72 VanDerWaalsContact C-N 3.31Å; N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 2.85Å; N72-K75 WeakPolarHBondContact O-CA 3.46Å; N72-K75 WeakPolarHBondContact O-CB 3.17Å; N72-K75 PolarHBondContact O-N 3.2Å; N72-T76 PolarHBondContact O-N 3.18Å; N72-T76 PolarHBondContact O-OG1 2.92Å; N72-T76 VanDerWaalsContact O-OG1 3.14Å
73	L	82.4	Confident	82.3	Confident	59 Å²	59	105.6 Å²	105.6	31%	0.309	50%	0.498	S	S	.	.	H	α-helix	trans	-59.4	-43.3	175.7	-139.9	102.6	0	0	0	111.6	D69 L70 K75 T76 E77	D69-L73 WeakPolarHBondContact O-CB 3.2Å; D69-L73 PolarHBondContact O-N 3.44Å; L70-L73 PolarHBondContact O-N 2.81Å; L73-K75 PolarHBondContact O-N 3.5Å; L73-T76 PolarHBondContact O-N 2.96Å; L73-T76 PolarHBondContact O-OG1 3.38Å; L73-E77 CarbonylContact O-C 3.49Å; L73-E77 WeakPolarHBondContact O-CA 3.46Å; L73-E77 PolarHBondContact O-N 3.09Å
74	D	82.4	Confident	83.9	Confident	59 Å²	59	102.7 Å²	102.7	32%	0.316	49%	0.487	S	S	.	.	H	α-helix	trans	-62.2	-25.1	175.1	-94.6	2.7	0	0	0	112.5	L70 N72 R84	L70-D74 PolarHBondContact O-N 2.83Å; N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 2.85Å; D74-R84 IonicContact OD2-NH2 3.69Å
75	K	82.5	Confident	84.8	Confident	157 Å²	157	98.3 Å²	98.3	68%	0.683	46%	0.464	S	S	*	.	H	α-helix	trans	-85.8	-41.8	176	-72.7	178	-178.5	176.5	0	113	I71 N72 L73	I71-K75 WeakPolarHBondContact O-CG 3.13Å; I71-K75 PolarHBondContact O-N 3.16Å; N72-K75 WeakPolarHBondContact O-CA 3.46Å; N72-K75 WeakPolarHBondContact O-CB 3.17Å; N72-K75 PolarHBondContact O-N 3.2Å; L73-K75 PolarHBondContact O-N 3.5Å
76	T	84.1	Confident	85.6	Confident	105 Å²	105	95.8 Å²	95.8	64%	0.644	46%	0.461	S	S	*	.	H	α-helix	trans	-80.5	-36.1	-177.2	53.7	0	0	0	0	112	N72 L73	N72-T76 PolarHBondContact O-N 3.18Å; N72-T76 PolarHBondContact O-OG1 2.92Å; N72-T76 VanDerWaalsContact O-OG1 3.14Å; L73-T76 PolarHBondContact O-N 2.96Å; L73-T76 PolarHBondContact O-OG1 3.38Å
77	E	84.9	Confident	86.1	Confident	90 Å²	90	98.4 Å²	98.4	42%	0.421	47%	0.472	S	S	.	.			trans	-130.6	69.2	-174.2	-69.5	-172.8	-168.2	0	0	111.2	L73 H79	L73-E77 CarbonylContact O-C 3.49Å; L73-E77 WeakPolarHBondContact O-CA 3.46Å; L73-E77 PolarHBondContact O-N 3.09Å; E77-H79 PolarHBondContact O-N 2.95Å; E77-H79 IonicContact OE2-CE1 2.95Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å
78	P	84.8	Confident	86.5	Confident	52 Å²	52	95.7 Å²	95.7	34%	0.338	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.6	-174.8	28.2	-36.6	0	0	0	114.1	W80 K81 Y82	P78-W80 VanDerWaalsContact C-N 3.34Å; P78-W80 PolarHBondContact O-N 2.71Å; P78-K81 WeakPolarHBondContact O-CB 3.33Å; P78-K81 PolarHBondContact O-N 2.63Å; P78-Y82 HydrophobicContact CB-CD2 4.41Å; P78-Y82 HydrophobicContact CB-CE2 3.84Å; P78-Y82 HydrophobicContact CG-CE2 4.34Å; P78-Y82 WeakPolarHBondContact O-CD2 3.36Å; P78-Y82 PolarHBondContact O-N 3.31Å; P78-Y82 VanDerWaalsContact O-N 3.15Å
79	H	87.2	Confident	87.1	Confident	86 Å²	86	95.3 Å²	95.3	40%	0.398	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-39.8	-179.1	75.1	-82.2	0	0	0	112.9	E77 K81 Y82 I83	E77-H79 PolarHBondContact O-N 2.95Å; E77-H79 IonicContact OE2-CE1 2.95Å; E77-H79 PolarHBondContact OE2-CE1 3.34Å; H79-K81 VanDerWaalsContact C-N 3.34Å; H79-K81 PolarHBondContact O-N 2.89Å; H79-Y82 PolarHBondContact O-N 3.33Å; H79-I83 WeakPolarHBondContact O-CG1 3.49Å; H79-I83 PolarHBondContact O-N 3.2Å
80	W	83.7	Confident	87.6	Confident	144 Å²	144	94.5 Å²	94.5	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-37	176.3	-68.3	115.6	0	0	0	112.8	P78 I83 R84	P78-W80 VanDerWaalsContact C-N 3.34Å; P78-W80 PolarHBondContact O-N 2.71Å; W80-I83 HydrophobicContact CE3-CD1 4.2Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 PolarHBondContact O-N 3.2Å; W80-R84 WeakPolarHBondContact O-CB 3.26Å; W80-R84 PolarHBondContact O-N 2.9Å
81	K	85.8	Confident	88.3	Confident	88 Å²	88	96.9 Å²	96.9	38%	0.383	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174.3	177.6	-177.5	174.6	-177	0	111	P78 H79 R84 I85	P78-K81 WeakPolarHBondContact O-CB 3.33Å; P78-K81 PolarHBondContact O-N 2.63Å; H79-K81 VanDerWaalsContact C-N 3.34Å; H79-K81 PolarHBondContact O-N 2.89Å; K81-R84 PolarHBondContact O-N 3.34Å; K81-I85 HydrophobicContact CG-CD1 3.95Å; K81-I85 VanDerWaalsContact O-CG1 3.32Å; K81-I85 WeakPolarHBondContact O-CG1 3.44Å; K81-I85 PolarHBondContact O-N 3.45Å
82	Y	89.7	Confident	88.8	Confident	159 Å²	159	94.7 Å²	94.7	62%	0.624	48%	0.477	S	S	*	.	H	α-helix	trans	-65.8	-41.2	177.3	-63.9	-54.2	0	0	0	112.3	P78 H79 I85 G86	P78-Y82 HydrophobicContact CB-CD2 4.41Å; P78-Y82 HydrophobicContact CB-CE2 3.84Å; P78-Y82 HydrophobicContact CG-CE2 4.34Å; P78-Y82 WeakPolarHBondContact O-CD2 3.36Å; P78-Y82 PolarHBondContact O-N 3.31Å; P78-Y82 VanDerWaalsContact O-N 3.15Å; H79-Y82 PolarHBondContact O-N 3.33Å; Y82-I85 PolarHBondContact O-N 2.89Å; Y82-G86 PolarHBondContact O-N 2.99Å
83	I	91.8	Very high	89.4	Confident	83 Å²	83	96 Å²	96	43%	0.426	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-47.1	174.3	-68	168	0	0	0	110.5	H79 W80 I85 G86 L87	H79-I83 WeakPolarHBondContact O-CG1 3.49Å; H79-I83 PolarHBondContact O-N 3.2Å; W80-I83 HydrophobicContact CE3-CD1 4.2Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 PolarHBondContact O-N 3.2Å; I83-I85 PolarHBondContact O-N 3.17Å; I83-G86 PolarHBondContact O-N 2.85Å; I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.47Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.31Å
84	R	90.1	Very high	90	Very high	150 Å²	150	98.3 Å²	98.3	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-61.1	-44.6	178.9	-176.6	177.7	62.5	-163.4	-8.3	112.4	D74 W80 K81 L87 L88	D74-R84 IonicContact OD2-NH2 3.69Å; W80-R84 WeakPolarHBondContact O-CB 3.26Å; W80-R84 PolarHBondContact O-N 2.9Å; K81-R84 PolarHBondContact O-N 3.34Å; R84-L87 PolarHBondContact O-N 2.81Å; R84-L88 WeakPolarHBondContact O-CB 3.48Å; R84-L88 PolarHBondContact O-N 3.16Å
85	I	90.4	Very high	90.7	Very high	73 Å²	73	101 Å²	101	37%	0.374	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-42.9	176.5	-67.7	168.5	0	0	0	110.3	K81 Y82 I83 L87 L88 I89	K81-I85 HydrophobicContact CG-CD1 3.95Å; K81-I85 VanDerWaalsContact O-CG1 3.32Å; K81-I85 WeakPolarHBondContact O-CG1 3.44Å; K81-I85 PolarHBondContact O-N 3.45Å; Y82-I85 PolarHBondContact O-N 2.89Å; I83-I85 PolarHBondContact O-N 3.17Å; I85-L87 PolarHBondContact O-N 3.33Å; I85-L88 PolarHBondContact O-N 3.22Å; I85-I89 HydrophobicContact CG2-CD1 3.71Å; I85-I89 HydrophobicContact CG2-CG1 4.36Å; I85-I89 WeakPolarHBondContact O-CG1 3.38Å; I85-I89 PolarHBondContact O-N 3.1Å
86	G	93.2	Very high	91.3	Very high	42 Å²	42	98.9 Å²	98.9	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-60.6	-43.2	176.6	0	0	0	0	0	112.8	Y82 I83 I89 G90	Y82-G86 PolarHBondContact O-N 2.99Å; I83-G86 PolarHBondContact O-N 2.85Å; G86-I89 PolarHBondContact O-N 3.33Å; G86-G90 PolarHBondContact O-N 3.42Å
87	L	94.5	Very high	91.9	Very high	124 Å²	124	96 Å²	96	65%	0.649	49%	0.491	S	S	*	.	H	α-helix	trans	-64.8	-40.6	174.5	-72.1	172.9	0	0	0	112.2	I83 R84 I85 G90 F91	I83-L87 HydrophobicContact CG2-CD1 3.95Å; I83-L87 HydrophobicContact CG2-CG 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.47Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.31Å; R84-L87 PolarHBondContact O-N 2.81Å; I85-L87 PolarHBondContact O-N 3.33Å; L87-G90 PolarHBondContact O-N 3.18Å; L87-F91 WeakPolarHBondContact O-CB 3.45Å; L87-F91 PolarHBondContact O-N 3.04Å
88	L	94.5	Very high	92.5	Very high	128 Å²	128	97 Å²	97	67%	0.67	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-44.8	177	-169.1	87	0	0	0	111.7	R84 I85 F91 G92	R84-L88 WeakPolarHBondContact O-CB 3.48Å; R84-L88 PolarHBondContact O-N 3.16Å; I85-L88 PolarHBondContact O-N 3.22Å; L88-F91 PolarHBondContact O-N 3.07Å; L88-G92 PolarHBondContact O-N 3.1Å
89	I	95	Very high	93	Very high	97 Å²	97	98.6 Å²	98.6	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-65.7	-44.6	176.2	-67.2	169.9	0	0	0	110.2	I85 G86 F91 G92 I93	I85-I89 HydrophobicContact CG2-CD1 3.71Å; I85-I89 HydrophobicContact CG2-CG1 4.36Å; I85-I89 WeakPolarHBondContact O-CG1 3.38Å; I85-I89 PolarHBondContact O-N 3.1Å; G86-I89 PolarHBondContact O-N 3.33Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 3.03Å; I89-G92 PolarHBondContact O-N 3.47Å; I89-G92 VanDerWaalsContact O-N 3.12Å; I89-I93 HydrophobicContact CG2-CD1 3.8Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.2Å; I89-I93 PolarHBondContact O-N 2.74Å
90	G	94.1	Very high	93.4	Very high	36 Å²	36	96.9 Å²	96.9	37%	0.371	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-43.2	176.6	0	0	0	0	0	112.3	G86 L87 I93 L94	G86-G90 PolarHBondContact O-N 3.42Å; L87-G90 PolarHBondContact O-N 3.18Å; G90-I93 PolarHBondContact O-N 3.4Å; G90-L94 VanDerWaalsContact O-CB 3.28Å; G90-L94 WeakPolarHBondContact O-CB 3.43Å; G90-L94 PolarHBondContact O-N 2.86Å
91	F	95.8	Very high	93.9	Very high	141 Å²	141	91.8 Å²	91.8	62%	0.618	50%	0.497	S	S	*	.	H	α-helix	trans	-61.1	-44.7	172	177.6	-96.5	0	0	0	111.9	L87 L88 I89 L94 F95	L87-F91 WeakPolarHBondContact O-CB 3.45Å; L87-F91 PolarHBondContact O-N 3.04Å; L88-F91 PolarHBondContact O-N 3.07Å; I89-F91 VanDerWaalsContact C-N 3.33Å; I89-F91 PolarHBondContact O-N 3.03Å; F91-L94 PolarHBondContact O-N 3.29Å; F91-F95 VanDerWaalsContact O-CB 3.3Å; F91-F95 WeakPolarHBondContact O-CB 3.31Å; F91-F95 PolarHBondContact O-N 3.48Å
92	G	94.3	Very high	94.3	Very high	27 Å²	27	91.1 Å²	91.1	28%	0.278	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-43.7	177.3	0	0	0	0	0	113.4	L88 I89 F95 L96	L88-G92 PolarHBondContact O-N 3.1Å; I89-G92 PolarHBondContact O-N 3.47Å; I89-G92 VanDerWaalsContact O-N 3.12Å; G92-F95 PolarHBondContact O-N 2.96Å; G92-L96 WeakPolarHBondContact O-CB 3.44Å; G92-L96 WeakPolarHBondContact O-CG 3.38Å; G92-L96 PolarHBondContact O-N 3.24Å
93	I	96.1	Very high	94.6	Very high	116 Å²	116	87.6 Å²	87.6	60%	0.595	49%	0.493	S	S	*	.	H	α-helix	trans	-64.1	-44.8	175.6	-68.4	170.6	0	0	0	110.4	I89 G90 L96 G97	I89-I93 HydrophobicContact CG2-CD1 3.8Å; I89-I93 HydrophobicContact CG2-CG1 4.32Å; I89-I93 WeakPolarHBondContact O-CG1 3.2Å; I89-I93 PolarHBondContact O-N 2.74Å; G90-I93 PolarHBondContact O-N 3.4Å; I93-L96 PolarHBondContact O-N 2.93Å; I93-G97 PolarHBondContact O-N 2.86Å
94	L	95.8	Very high	94.6	Very high	107 Å²	107	87.4 Å²	87.4	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-65.2	-41.9	179.1	-174	141.5	0	0	0	111.6	G90 F91 G97 L98	G90-L94 VanDerWaalsContact O-CB 3.28Å; G90-L94 WeakPolarHBondContact O-CB 3.43Å; G90-L94 PolarHBondContact O-N 2.86Å; F91-L94 PolarHBondContact O-N 3.29Å; L94-G97 PolarHBondContact O-N 3.37Å; L94-L98 HydrophobicContact CD2-CD1 3.64Å; L94-L98 HydrophobicContact CD2-CG 4.35Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.25Å
95	F	96.2	Very high	94.7	Very high	117 Å²	117	88.8 Å²	88.8	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-48.1	175.3	178.5	-94.8	0	0	0	112	F91 G92 G97 L98 L99	F91-F95 VanDerWaalsContact O-CB 3.3Å; F91-F95 WeakPolarHBondContact O-CB 3.31Å; F91-F95 PolarHBondContact O-N 3.48Å; G92-F95 PolarHBondContact O-N 2.96Å; F95-G97 VanDerWaalsContact C-N 3.33Å; F95-G97 PolarHBondContact O-N 3.09Å; F95-L98 PolarHBondContact O-N 2.99Å; F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 3.44Å
96	L	95.9	Very high	94.6	Very high	111 Å²	111	91.6 Å²	91.6	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-65.8	-36.2	176.8	-72.8	172.8	0	0	0	111.9	G92 I93 L99 A100	G92-L96 WeakPolarHBondContact O-CB 3.44Å; G92-L96 WeakPolarHBondContact O-CG 3.38Å; G92-L96 PolarHBondContact O-N 3.24Å; I93-L96 PolarHBondContact O-N 2.93Å; L96-L99 PolarHBondContact O-N 3.26Å; L96-A100 VanDerWaalsContact O-CB 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.08Å
97	G	96.3	Very high	94.4	Very high	45 Å²	45	95.7 Å²	95.7	46%	0.464	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.2	0	0	0	0	0	112.5	I93 L94 F95 G101	I93-G97 PolarHBondContact O-N 2.86Å; L94-G97 PolarHBondContact O-N 3.37Å; F95-G97 VanDerWaalsContact C-N 3.33Å; F95-G97 PolarHBondContact O-N 3.09Å; G97-G101 PolarHBondContact O-N 3.33Å
98	L	96.5	Very high	94	Very high	111 Å²	111	96.2 Å²	96.2	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-42.9	173.3	-75.6	173.9	0	0	0	111.6	L94 F95 G101 C102	L94-L98 HydrophobicContact CD2-CD1 3.64Å; L94-L98 HydrophobicContact CD2-CG 4.35Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 3.25Å; F95-L98 PolarHBondContact O-N 2.99Å; L98-G101 PolarHBondContact O-N 2.97Å; L98-C102 WeakPolarHBondContact O-CB 3.07Å; L98-C102 PolarHBondContact O-N 3.06Å; L98-C102 PolarHBondContact O-SG 3.06Å
99	L	96.4	Very high	93.4	Very high	86 Å²	86	91.3 Å²	91.3	45%	0.45	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-46.7	176.7	-175.6	68.8	0	0	0	111.3	F95 L96 C102 I103	F95-L99 WeakPolarHBondContact O-CB 3.35Å; F95-L99 PolarHBondContact O-N 3.44Å; L96-L99 PolarHBondContact O-N 3.26Å; L99-C102 WeakPolarHBondContact O-CB 3.36Å; L99-C102 PolarHBondContact O-N 2.88Å; L99-I103 HydrophobicContact CG-CD1 4.19Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.45Å; L99-I103 PolarHBondContact O-N 2.98Å
100	A	95.4	Very high	92.5	Very high	49 Å²	49	95.7 Å²	95.7	41%	0.405	53%	0.529	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.4	0	0	0	0	0	111.4	L96 C102 I103 V104	L96-A100 VanDerWaalsContact O-CB 3.29Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.08Å; A100-C102 PolarHBondContact O-N 3.17Å; A100-I103 PolarHBondContact O-N 3.49Å; A100-V104 WeakPolarHBondContact O-CB 3.5Å; A100-V104 VanDerWaalsContact O-CG2 3.29Å; A100-V104 WeakPolarHBondContact O-CG2 3.33Å; A100-V104 PolarHBondContact O-N 2.8Å
101	G	94.8	Very high	91.7	Very high	38 Å²	38	103.3 Å²	103.3	39%	0.392	55%	0.552	S	S	.	*	H	α-helix	trans	-58.8	-44.5	174	0	0	0	0	0	112.7	G97 L98 V104 Y105	G97-G101 PolarHBondContact O-N 3.33Å; L98-G101 PolarHBondContact O-N 2.97Å; G101-V104 PolarHBondContact O-N 3.26Å; G101-Y105 WeakPolarHBondContact O-CB 3.12Å; G101-Y105 PolarHBondContact O-N 3.09Å
102	C	94.7	Very high	91	Very high	73 Å²	73	102 Å²	102	49%	0.493	56%	0.559	S	S	.	*	H	α-helix	trans	-61.1	-44.3	173.9	-74.4	0	0	0	0	112	L98 L99 A100 Y105 I106	L98-C102 WeakPolarHBondContact O-CB 3.07Å; L98-C102 PolarHBondContact O-N 3.06Å; L98-C102 PolarHBondContact O-SG 3.06Å; L99-C102 WeakPolarHBondContact O-CB 3.36Å; L99-C102 PolarHBondContact O-N 2.88Å; A100-C102 PolarHBondContact O-N 3.17Å; C102-Y105 PolarHBondContact O-N 3.46Å; C102-I106 VanDerWaalsContact O-CG1 3.25Å; C102-I106 WeakPolarHBondContact O-CG1 3.22Å; C102-I106 PolarHBondContact O-N 3.09Å
103	I	94.3	Very high	90.6	Very high	85 Å²	85	103.3 Å²	103.3	44%	0.436	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-47	177.6	-68.7	165.2	0	0	0	110.6	L99 A100 Y105 I106 I107	L99-I103 HydrophobicContact CG-CD1 4.19Å; L99-I103 VanDerWaalsContact O-CG1 3.3Å; L99-I103 WeakPolarHBondContact O-CG1 3.45Å; L99-I103 PolarHBondContact O-N 2.98Å; A100-I103 PolarHBondContact O-N 3.49Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.43Å; I103-I106 PolarHBondContact O-N 3.34Å; I103-I107 HydrophobicContact CG2-CD1 3.64Å; I103-I107 HydrophobicContact CG2-CG1 4.42Å; I103-I107 VanDerWaalsContact O-CG1 3.3Å; I103-I107 WeakPolarHBondContact O-CG1 3.28Å; I103-I107 PolarHBondContact O-N 3.3Å
104	V	93.2	Very high	90.1	Very high	79 Å²	79	103 Å²	103	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-60.2	-43.6	177.1	171.3	0	0	0	0	110.7	A100 G101 I106 I107 L108	A100-V104 WeakPolarHBondContact O-CB 3.5Å; A100-V104 VanDerWaalsContact O-CG2 3.29Å; A100-V104 WeakPolarHBondContact O-CG2 3.33Å; A100-V104 PolarHBondContact O-N 2.8Å; G101-V104 PolarHBondContact O-N 3.26Å; V104-I106 PolarHBondContact O-N 3.11Å; V104-I107 PolarHBondContact O-N 3.25Å; V104-L108 HydrophobicContact CG1-CD1 3.56Å; V104-L108 HydrophobicContact CG1-CG 4.13Å; V104-L108 VanDerWaalsContact O-CB 3.31Å; V104-L108 WeakPolarHBondContact O-CB 3.34Å; V104-L108 WeakPolarHBondContact O-CG 3.2Å; V104-L108 PolarHBondContact O-N 2.94Å
105	Y	90.9	Very high	89.8	Confident	180 Å²	180	101.9 Å²	101.9	71%	0.706	57%	0.568	S	S	*	*	H	α-helix	trans	-63.1	-39.5	176.4	-176.9	-94.7	0	0	0	112.6	G101 C102 I103 G109	G101-Y105 WeakPolarHBondContact O-CB 3.12Å; G101-Y105 PolarHBondContact O-N 3.09Å; C102-Y105 PolarHBondContact O-N 3.46Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.43Å; Y105-G109 WeakPolarHBondContact O-CA 3.27Å; Y105-G109 PolarHBondContact O-N 3.09Å
106	I	88.9	Confident	89.6	Confident	132 Å²	132	99 Å²	99	68%	0.677	56%	0.561	S	S	*	*	H	α-helix	trans	-67.9	-36.8	176.8	-69.6	165.2	0	0	0	111.5	C102 I103 V104	C102-I106 VanDerWaalsContact O-CG1 3.25Å; C102-I106 WeakPolarHBondContact O-CG1 3.22Å; C102-I106 PolarHBondContact O-N 3.09Å; I103-I106 PolarHBondContact O-N 3.34Å; V104-I106 PolarHBondContact O-N 3.11Å
107	I	88.2	Confident	89.4	Confident	128 Å²	128	103 Å²	103	66%	0.656	57%	0.574	S	S	*	*	H	α-helix	trans	-78.6	-44.8	-178.2	-66.2	171	0	0	0	111.7	I103 V104	I103-I107 HydrophobicContact CG2-CD1 3.64Å; I103-I107 HydrophobicContact CG2-CG1 4.42Å; I103-I107 VanDerWaalsContact O-CG1 3.3Å; I103-I107 WeakPolarHBondContact O-CG1 3.28Å; I103-I107 PolarHBondContact O-N 3.3Å; V104-I107 PolarHBondContact O-N 3.25Å
108	L	87.9	Confident	89.3	Confident	134 Å²	134	102.7 Å²	102.7	70%	0.702	56%	0.561	S	S	*	*	H	α-helix	trans	-90.2	-18.7	-176.9	-61.1	-176.5	0	0	0	113.2	V104 Q110	V104-L108 HydrophobicContact CG1-CD1 3.56Å; V104-L108 HydrophobicContact CG1-CG 4.13Å; V104-L108 VanDerWaalsContact O-CB 3.31Å; V104-L108 WeakPolarHBondContact O-CB 3.34Å; V104-L108 WeakPolarHBondContact O-CG 3.2Å; V104-L108 PolarHBondContact O-N 2.94Å; L108-Q110 PolarHBondContact O-N 2.86Å
109	G	81	Confident	89.3	Confident	26 Å²	26	98.5 Å²	98.5	27%	0.268	54%	0.54	S	S	.	.	S	Bend	trans	-57.3	125.5	175.7	0	0	0	0	0	109.5	Y105 K111	Y105-G109 WeakPolarHBondContact O-CA 3.27Å; Y105-G109 PolarHBondContact O-N 3.09Å; G109-K111 PolarHBondContact O-N 3.05Å
110	Q	76.3	Confident	89.4	Confident	189 Å²	189	95.3 Å²	95.3	88%	0.883	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-56.6	120.7	174.9	-70	-177.1	-5.6	0	0	108.2	L108 C112	L108-Q110 PolarHBondContact O-N 2.86Å; Q110-C112 PolarHBondContact O-N 3.14Å; Q110-C112 VanDerWaalsContact O-N 3.12Å
111	K	77.1	Confident	89.4	Confident	196 Å²	196	93.8 Å²	93.8	85%	0.852	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-59.5	122.1	175.1	-68.8	-176.7	180	179.4	0	107.3	G109	G109-K111 PolarHBondContact O-N 3.05Å
112	C	81.4	Confident	89.5	Confident	113 Å²	113	94.4 Å²	94.4	76%	0.764	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-50.2	139.2	169.7	-64.1	0	0	0	0	108.5	Q110 S114	Q110-C112 PolarHBondContact O-N 3.14Å; Q110-C112 VanDerWaalsContact O-N 3.12Å; C112-S114 PolarHBondContact O-N 3.32Å
113	P	84.9	Confident	89.5	Confident	54 Å²	54	92.5 Å²	92.5	35%	0.351	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-51.1	132.6	174.1	-22.3	29.7	0	0	0	109.9	V115 G585 F586	P113-V115 PolarHBondContact O-N 3.46Å; P113-G585 VanDerWaalsContact CG-O 3.3Å; P113-G585 WeakPolarHBondContact CG-O 3.34Å; P113-F586 HydrophobicContact CB-CE1 4.2Å; P113-F586 HydrophobicContact CB-CE2 3.88Å; P113-F586 HydrophobicContact CB-CZ 3.7Å; P113-F586 HydrophobicContact CG-CE1 4.4Å; P113-F586 HydrophobicContact CG-CZ 4.39Å
114	S	85.3	Confident	89.6	Confident	109 Å²	109	90 Å²	90	76%	0.762	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-64.1	119.4	-177.6	55.7	0	0	0	0	110	C112	C112-S114 PolarHBondContact O-N 3.32Å
115	V	90.9	Very high	89.8	Confident	85 Å²	85	86.3 Å²	86.3	52%	0.515	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-83.7	119.5	170.2	174.3	0	0	0	0	108.2	P113 W560 F586	P113-V115 PolarHBondContact O-N 3.46Å; V115-W560 HydrophobicContact CB-CH2 4.45Å; V115-W560 HydrophobicContact CG1-CH2 3.66Å; V115-W560 HydrophobicContact CG1-CZ2 4.26Å; V115-W560 HydrophobicContact CG1-CZ3 4.32Å; V115-W560 HydrophobicContact CG2-CH2 4.34Å; V115-F586 HydrophobicContact CG2-CZ 3.81Å
116	P	91	Very high	90.2	Very high	56 Å²	56	77.7 Å²	77.7	36%	0.364	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.9	140.6	176.9	28.1	-33.3	0	0	0	110.2	L118 W560	P116-L118 HydrophobicContact CB-CD2 4.28Å; P116-L118 HydrophobicContact CG-CD2 4.22Å; P116-L118 HydrophobicContact CG-CG 4.33Å; P116-L118 PolarHBondContact O-N 3.11Å; P116-W560 HydrophobicContact CG-CD2 4.03Å; P116-W560 HydrophobicContact CG-CG 4.16Å; P116-W560 HydrophobicContact CG-CZ2 4.35Å
117	K	92.6	Very high	90.7	Very high	195 Å²	195	71.4 Å²	71.4	85%	0.848	39%	0.387	S	S	*	.			trans	-74.9	111.5	168.3	-174.1	-177.8	177.5	-172.8	0	108
118	L	94.3	Very high	91.2	Very high	38 Å²	38	65.3 Å²	65.3	20%	0.199	36%	0.356	C	S	.	.			trans	-101.7	141.6	-179.2	-63.2	176.6	0	0	0	110.2	P116 K122 K559 W560	P116-L118 HydrophobicContact CB-CD2 4.28Å; P116-L118 HydrophobicContact CG-CD2 4.22Å; P116-L118 HydrophobicContact CG-CG 4.33Å; P116-L118 PolarHBondContact O-N 3.11Å; L118-K122 HydrophobicContact CB-CB 4.05Å; L118-K122 HydrophobicContact CD2-CB 4.33Å; L118-K122 HydrophobicContact CD2-CD 4.44Å; L118-K559 HydrophobicContact CD1-CD 4.35Å; L118-K559 HydrophobicContact CD1-CG 4.29Å; L118-W560 HydrophobicContact CD1-CB 4.1Å; L118-W560 HydrophobicContact CD1-CD2 4.23Å; L118-W560 HydrophobicContact CD1-CE3 3.61Å; L118-W560 HydrophobicContact CD1-CG 4.45Å; L118-W560 HydrophobicContact CD1-CZ3 4.36Å
119	P	96.6	Very high	91.7	Very high	23 Å²	23	59 Å²	59	15%	0.149	32%	0.322	C	S	.	.			trans	-64.2	163.8	169.7	29.8	-36.2	0	0	0	110.9	W121 K122 S123 E359	P119-W121 VanDerWaalsContact C-N 3.26Å; P119-W121 HydrophobicContact CB-CD2 3.82Å; P119-W121 HydrophobicContact CB-CE3 3.95Å; P119-W121 HydrophobicContact CB-CH2 3.78Å; P119-W121 HydrophobicContact CB-CZ2 3.62Å; P119-W121 HydrophobicContact CB-CZ3 3.94Å; P119-W121 HydrophobicContact CG-CD2 4.02Å; P119-W121 HydrophobicContact CG-CG 4.46Å; P119-W121 HydrophobicContact CG-CH2 4.41Å; P119-W121 HydrophobicContact CG-CZ2 3.74Å; P119-W121 PolarHBondContact O-N 2.89Å; P119-K122 HydrophobicContact CG-CB 3.97Å; P119-K122 HydrophobicContact CG-CD 4.09Å; P119-K122 HydrophobicContact CG-CG 3.81Å; P119-K122 PolarHBondContact O-N 2.98Å; P119-S123 PolarHBondContact O-N 3.15Å; P119-S123 VanDerWaalsContact O-N 3.11Å; P119-S123 PolarHBondContact O-OG 3.36Å; P119-E359 VanDerWaalsContact CA-OE2 3.31Å; P119-E359 WeakPolarHBondContact CA-OE2 3.4Å
120	F	97	Very high	92.5	Very high	20 Å²	20	57.8 Å²	57.8	9%	0.088	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-36.6	-173.9	72.3	-99	0	0	0	113.4	K122 S123 T124 Y163 K213 I215 D299 E359 L361	F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 3.35Å; F120-S123 WeakPolarHBondContact CA-OG 3.21Å; F120-S123 PolarHBondContact O-N 2.88Å; F120-S123 PolarHBondContact O-OG 3.24Å; F120-T124 PolarHBondContact O-N 3.41Å; F120-T124 VanDerWaalsContact O-N 3.11Å; F120-T124 PolarHBondContact O-OG1 3.41Å; F120-Y163 AromaticContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CG 4.07Å; F120-Y163 HydrophobicContact CE2-CD1 4.15Å; F120-Y163 HydrophobicContact CE2-CD2 4.37Å; F120-Y163 AromaticContact CE2-CG 3.85Å; F120-Y163 HydrophobicContact CE2-CG 3.85Å; F120-K213 HydrophobicContact CB-CG 4.38Å; F120-K213 HydrophobicContact CD1-CG 4.11Å; F120-K213 HydrophobicContact CD2-CB 4.02Å; F120-K213 HydrophobicContact CD2-CG 3.81Å; F120-K213 HydrophobicContact CE1-CG 4.29Å; F120-K213 HydrophobicContact CE2-CB 3.8Å; F120-K213 HydrophobicContact CE2-CG 4.05Å; F120-K213 HydrophobicContact CG-CG 3.85Å; F120-K213 HydrophobicContact CZ-CB 4.06Å; F120-K213 HydrophobicContact CZ-CG 4.27Å; F120-I215 HydrophobicContact CE2-CD1 4.02Å; F120-I215 HydrophobicContact CZ-CD1 4.11Å; F120-D299 HydrophobicContact CE1-CB 4.41Å; F120-D299 HydrophobicContact CZ-CB 4.26Å; F120-E359 HydrophobicContact CD1-CB 4.49Å; F120-E359 PolarHBondContact N-OE2 2.7Å; F120-L361 HydrophobicContact CE2-CD2 4.36Å; F120-L361 HydrophobicContact CZ-CB 3.87Å; F120-L361 HydrophobicContact CZ-CD2 4.4Å
121	W	97	Very high	93.5	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-72.7	-22	179	59.2	89.7	0	0	0	114.1	P119 Y163 E359 L361 D388 L454	P119-W121 VanDerWaalsContact C-N 3.26Å; P119-W121 HydrophobicContact CB-CD2 3.82Å; P119-W121 HydrophobicContact CB-CE3 3.95Å; P119-W121 HydrophobicContact CB-CH2 3.78Å; P119-W121 HydrophobicContact CB-CZ2 3.62Å; P119-W121 HydrophobicContact CB-CZ3 3.94Å; P119-W121 HydrophobicContact CG-CD2 4.02Å; P119-W121 HydrophobicContact CG-CG 4.46Å; P119-W121 HydrophobicContact CG-CH2 4.41Å; P119-W121 HydrophobicContact CG-CZ2 3.74Å; P119-W121 PolarHBondContact O-N 2.89Å; W121-Y163 HydrophobicContact CB-CE1 4.19Å; W121-E359 HydrophobicContact CH2-CB 4.27Å; W121-E359 HydrophobicContact CZ3-CB 4.01Å; W121-L361 HydrophobicContact CB-CD1 4.45Å; W121-L361 HydrophobicContact CB-CD2 4.11Å; W121-L361 HydrophobicContact CD2-CB 4.33Å; W121-L361 HydrophobicContact CD2-CD1 3.88Å; W121-L361 HydrophobicContact CE3-CB 3.74Å; W121-L361 HydrophobicContact CE3-CD1 4.17Å; W121-L361 HydrophobicContact CE3-CG 4.37Å; W121-L361 HydrophobicContact CG-CD1 4.01Å; W121-L361 HydrophobicContact CG-CD2 4.49Å; W121-L361 HydrophobicContact CZ3-CB 3.89Å; W121-D388 HydrophobicContact CZ2-CB 3.81Å; W121-L454 WeakPolarHBondContact O-CD2 3.37Å
122	K	96.4	Very high	94.5	Very high	51 Å²	51	39.5 Å²	39.5	22%	0.222	23%	0.227	C	C	.	.	H	α-helix	trans	-88.5	-17.4	172.2	-70.1	-162.5	168.8	-163.3	0	113.3	L118 P119 F120 D425 L454	L118-K122 HydrophobicContact CB-CB 4.05Å; L118-K122 HydrophobicContact CD2-CB 4.33Å; L118-K122 HydrophobicContact CD2-CD 4.44Å; P119-K122 HydrophobicContact CG-CB 3.97Å; P119-K122 HydrophobicContact CG-CD 4.09Å; P119-K122 HydrophobicContact CG-CG 3.81Å; P119-K122 PolarHBondContact O-N 2.98Å; F120-K122 VanDerWaalsContact C-N 3.34Å; F120-K122 PolarHBondContact O-N 3.35Å; K122-D425 VanDerWaalsContact CE-O 3.29Å; K122-D425 WeakPolarHBondContact CE-O 3.3Å; K122-D425 IonicContact NZ-OD2 2.73Å; K122-D425 PolarHBondContact NZ-OD2 3.16Å; K122-L454 HydrophobicContact CB-CD2 4.23Å; K122-L454 HydrophobicContact CG-CD2 3.7Å
123	S	95	Very high	95.3	Very high	33 Å²	33	34.1 Å²	34.1	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-104.6	-12.3	-174.1	57.1	0	0	0	0	114.3	P119 F120	P119-S123 PolarHBondContact O-N 3.15Å; P119-S123 VanDerWaalsContact O-N 3.11Å; P119-S123 PolarHBondContact O-OG 3.36Å; F120-S123 WeakPolarHBondContact CA-OG 3.21Å; F120-S123 PolarHBondContact O-N 2.88Å; F120-S123 PolarHBondContact O-OG 3.24Å
124	T	96.2	Very high	95.9	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.202	17%	0.174	C	C	.	.	S	Bend	trans	-136.8	174.8	-175	67	0	0	0	0	112.1	F120 G162	F120-T124 PolarHBondContact O-N 3.41Å; F120-T124 VanDerWaalsContact O-N 3.11Å; F120-T124 PolarHBondContact O-OG1 3.41Å; T124-G162 WeakPolarHBondContact OG1-CA 3.29Å
125	V	97.8	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.1	176.3	-178.6	0	0	0	0	109.6	A161 G162 L449 P455 I457 V550	V125-A161 CarbonylContact O-C 3.45Å; V125-A161 VanDerWaalsContact O-CA 3.29Å; V125-A161 WeakPolarHBondContact O-CA 3.39Å; V125-G162 PolarHBondContact O-N 3.14Å; V125-L449 HydrophobicContact CG1-CD2 4.41Å; V125-L449 HydrophobicContact CG2-CD2 4.32Å; V125-P455 HydrophobicContact CB-CG 4.26Å; V125-P455 HydrophobicContact CG1-CB 4.28Å; V125-P455 HydrophobicContact CG1-CG 4.19Å; V125-P455 HydrophobicContact CG2-CG 3.79Å; V125-I457 HydrophobicContact CG1-CD1 3.9Å; V125-I457 HydrophobicContact CG1-CG1 4.12Å; V125-V550 HydrophobicContact CG2-CG1 3.92Å; V125-V550 HydrophobicContact CG2-CG2 4.16Å
126	G	98.5	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	147.8	172.8	0	0	0	0	0	112.3	Y163 P455 I456 I457	G126-Y163 CarbonylContact C-O 3.43Å; G126-Y163 VanDerWaalsContact CA-CE2 3.45Å; G126-Y163 WeakPolarHBondContact CA-O 3.5Å; G126-Y163 VanDerWaalsContact N-CE1 3.28Å; G126-P455 PolarHBondContact N-O 3.32Å; G126-I456 WeakPolarHBondContact O-CA 3.2Å; G126-I457 PolarHBondContact O-N 3.16Å
127	Y	98.7	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	111.1	170.9	-166.6	-119.6	0	0	0	110	L129 F134 I155 V159 Y163 A164 I165 I457 Y459 E462	Y127-L129 HydrophobicContact CD1-CD2 3.68Å; Y127-L129 HydrophobicContact CE1-CB 4.3Å; Y127-L129 HydrophobicContact CE1-CD2 3.83Å; Y127-F134 AromaticContact CE1-CE2 3.92Å; Y127-F134 HydrophobicContact CE1-CE2 3.92Å; Y127-F134 AromaticContact CE1-CZ 3.99Å; Y127-F134 HydrophobicContact CE1-CZ 3.99Å; Y127-I155 HydrophobicContact CD1-CB 4.5Å; Y127-I155 HydrophobicContact CD1-CD1 4.22Å; Y127-I155 HydrophobicContact CD1-CG1 3.87Å; Y127-I155 HydrophobicContact CD1-CG2 4.02Å; Y127-I155 HydrophobicContact CE1-CD1 4.39Å; Y127-I155 HydrophobicContact CE1-CG1 3.93Å; Y127-I155 HydrophobicContact CG-CG2 4.41Å; Y127-V159 HydrophobicContact CD2-CB 4.49Å; Y127-V159 HydrophobicContact CD2-CG1 3.7Å; Y127-V159 HydrophobicContact CD2-CG2 4.36Å; Y127-V159 HydrophobicContact CE2-CG1 4.02Å; Y127-V159 HydrophobicContact CE2-CG2 3.98Å; Y127-V159 HydrophobicContact CG-CG1 4.39Å; Y127-Y163 PolarHBondContact N-O 3.27Å; Y127-A164 CarbonylContact O-C 3.43Å; Y127-A164 WeakPolarHBondContact O-CA 3.38Å; Y127-I165 PolarHBondContact O-N 3.48Å; Y127-I457 CarbonylContact C-O 3.55Å; Y127-I457 VanDerWaalsContact CA-O 3.32Å; Y127-I457 WeakPolarHBondContact CA-O 3.37Å; Y127-I457 HydrophobicContact CD2-CB 4.02Å; Y127-I457 HydrophobicContact CD2-CG2 3.92Å; Y127-I457 WeakPolarHBondContact CD2-O 3.46Å; Y127-I457 HydrophobicContact CE2-CB 4.47Å; Y127-I457 HydrophobicContact CE2-CG2 3.86Å; Y127-Y459 WeakPolarHBondContact OH-CA 3.35Å; Y127-Y459 WeakPolarHBondContact OH-CB 3.32Å; Y127-E462 PolarHBondContact OH-OE1 2.85Å
128	W	98.4	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.1	-179.1	-172.4	3	0	0	0	109.7	I165 L302 N365 I391 T433 S434 I456 I457 Y458 Y459	W128-I165 WeakPolarHBondContact CA-O 3.36Å; W128-I165 HydrophobicContact CB-CB 4.08Å; W128-I165 VanDerWaalsContact CD1-O 3.28Å; W128-I165 HydrophobicContact CD2-CG2 4.41Å; W128-I165 HydrophobicContact CG-CB 3.98Å; W128-I165 HydrophobicContact CG-CG2 4.05Å; W128-L302 HydrophobicContact CH2-CD1 4.31Å; W128-L302 HydrophobicContact CZ2-CD1 4.38Å; W128-L302 HydrophobicContact CZ2-CD2 4.43Å; W128-N365 HydrophobicContact CH2-CB 4.36Å; W128-I391 HydrophobicContact CE3-CD1 4.5Å; W128-I391 HydrophobicContact CZ3-CD1 4.12Å; W128-I391 HydrophobicContact CZ3-CG1 4.22Å; W128-I391 HydrophobicContact CZ3-CG2 4.35Å; W128-T433 HydrophobicContact CH2-CG2 4.28Å; W128-T433 HydrophobicContact CZ3-CG2 3.72Å; W128-S434 VanDerWaalsContact CZ2-OG 3.23Å; W128-S434 WeakPolarHBondContact CZ2-OG 3.41Å; W128-I456 HydrophobicContact CB-CG2 3.74Å; W128-I456 HydrophobicContact CE3-CG2 4.47Å; W128-I457 PolarHBondContact N-O 2.77Å; W128-Y458 HydrophobicContact CB-CD2 3.88Å; W128-Y458 AromaticContact CD2-CD2 3.89Å; W128-Y458 HydrophobicContact CD2-CD2 3.89Å; W128-Y458 HydrophobicContact CD2-CE2 4.1Å; W128-Y458 HydrophobicContact CE3-CD2 4.2Å; W128-Y458 AromaticContact CG-CD2 3.74Å; W128-Y458 HydrophobicContact CG-CD2 3.74Å; W128-Y458 HydrophobicContact CG-CE2 4.01Å; W128-Y458 CarbonylContact O-C 3.53Å; W128-Y458 VanDerWaalsContact O-CA 3.27Å; W128-Y458 WeakPolarHBondContact O-CA 3.41Å; W128-Y458 WeakPolarHBondContact O-CD2 3.45Å; W128-Y459 PolarHBondContact O-N 3.48Å
129	L	98.3	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.3	-174.9	66.5	93	0	0	0	113.2	Y127 V131 F134 L148 I155 I165 L166 G167 Y459	Y127-L129 HydrophobicContact CD1-CD2 3.68Å; Y127-L129 HydrophobicContact CE1-CB 4.3Å; Y127-L129 HydrophobicContact CE1-CD2 3.83Å; L129-V131 HydrophobicContact CD1-CG2 3.93Å; L129-F134 HydrophobicContact CD1-CB 4.45Å; L129-L148 HydrophobicContact CD1-CD1 3.9Å; L129-L148 HydrophobicContact CD1-CD2 4.06Å; L129-L148 HydrophobicContact CD2-CD1 3.72Å; L129-I155 HydrophobicContact CD2-CD1 4.07Å; L129-I165 PolarHBondContact N-O 3.06Å; L129-L166 HydrophobicContact CD1-CD2 3.89Å; L129-L166 HydrophobicContact CD2-CD2 4.39Å; L129-L166 HydrophobicContact CG-CD2 4.11Å; L129-G167 PolarHBondContact O-N 3.36Å; L129-Y459 HydrophobicContact CB-CD1 4.23Å; L129-Y459 HydrophobicContact CB-CG 4.21Å
130	D	98	Very high	97.5	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	13%	0.126	C	C	.	.			trans	-88	119.2	162.2	179.9	-0.2	0	0	0	109.3	F132 A133 F134 Y459 Y478 H496	D130-F132 VanDerWaalsContact C-N 3.28Å; D130-F132 PolarHBondContact O-N 2.65Å; D130-F132 WeakPolarHBondContact OD1-CB 3.4Å; D130-F132 WeakPolarHBondContact OD1-CD2 3.46Å; D130-F132 PolarHBondContact OD1-N 3.08Å; D130-A133 HydrophobicContact CB-CB 4.02Å; D130-A133 PolarHBondContact O-N 3.25Å; D130-F134 WeakPolarHBondContact O-CB 3.5Å; D130-F134 PolarHBondContact O-N 3.44Å; D130-Y459 HydrophobicContact CB-CE1 3.91Å; D130-Y478 WeakPolarHBondContact OD2-CE1 3.47Å; D130-Y478 PolarHBondContact OD2-OH 3.18Å; D130-H496 IonicContact OD2-CE1 2.86Å; D130-H496 IonicContact OD2-CG 3.43Å; D130-H496 IonicContact OD2-ND1 2.71Å; D130-H496 PolarHBondContact OD2-ND1 2.91Å
131	V	98.5	Very high	97.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-40.3	-179.4	-175.9	0	0	0	0	110.9	L129 A133 F134 G143 L145 L148 L166 I169 V194	L129-V131 HydrophobicContact CD1-CG2 3.93Å; V131-A133 PolarHBondContact O-N 2.67Å; V131-F134 PolarHBondContact O-N 3.24Å; V131-G143 CarbonylContact O-C 3.44Å; V131-G143 VanDerWaalsContact O-CA 3.29Å; V131-G143 WeakPolarHBondContact O-CA 3.45Å; V131-L145 HydrophobicContact CG1-CD2 4.43Å; V131-L148 HydrophobicContact CG1-CB 4.46Å; V131-L148 HydrophobicContact CG1-CD2 4.31Å; V131-L148 HydrophobicContact CG2-CD2 4.01Å; V131-L166 HydrophobicContact CG2-CB 4.32Å; V131-L166 HydrophobicContact CG2-CD1 4.21Å; V131-L166 HydrophobicContact CG2-CD2 4.23Å; V131-L166 HydrophobicContact CG2-CG 4.49Å; V131-I169 HydrophobicContact CB-CG2 4.31Å; V131-I169 HydrophobicContact CG2-CG2 3.64Å; V131-V194 HydrophobicContact CB-CG2 4.05Å; V131-V194 HydrophobicContact CG1-CG2 3.63Å
132	F	98.2	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.6	-20.4	-176.7	-54.3	-74.9	0	0	0	113.3	D130 I142 G143 P168 F173 D191 A193 V194 Y478	D130-F132 VanDerWaalsContact C-N 3.28Å; D130-F132 PolarHBondContact O-N 2.65Å; D130-F132 WeakPolarHBondContact OD1-CB 3.4Å; D130-F132 WeakPolarHBondContact OD1-CD2 3.46Å; D130-F132 PolarHBondContact OD1-N 3.08Å; F132-I142 HydrophobicContact CB-CG2 4.05Å; F132-I142 HydrophobicContact CD1-CG2 3.8Å; F132-I142 HydrophobicContact CG-CG2 4.4Å; F132-G143 WeakPolarHBondContact CA-O 3.46Å; F132-G143 WeakPolarHBondContact O-CA 3.43Å; F132-G143 PolarHBondContact O-N 3.3Å; F132-P168 WeakPolarHBondContact CE2-O 3.45Å; F132-F173 AromaticContact CD2-CD1 3.74Å; F132-F173 HydrophobicContact CD2-CD1 3.74Å; F132-F173 AromaticContact CD2-CE1 3.85Å; F132-F173 HydrophobicContact CD2-CE1 3.85Å; F132-F173 HydrophobicContact CE2-CB 4.47Å; F132-F173 AromaticContact CE2-CD1 3.3Å; F132-F173 HydrophobicContact CE2-CD1 3.3Å; F132-F173 AromaticContact CE2-CE1 3.86Å; F132-F173 HydrophobicContact CE2-CE1 3.86Å; F132-F173 HydrophobicContact CE2-CG 4.21Å; F132-F173 HydrophobicContact CZ-CD1 4.16Å; F132-D191 HydrophobicContact CE1-CB 4.23Å; F132-D191 HydrophobicContact CZ-CB 3.84Å; F132-A193 HydrophobicContact CD1-CB 4.35Å; F132-A193 HydrophobicContact CE1-CB 4.07Å; F132-V194 HydrophobicContact CE1-CB 3.74Å; F132-V194 HydrophobicContact CE1-CG2 3.93Å; F132-V194 HydrophobicContact CZ-CB 4.03Å; F132-V194 HydrophobicContact CZ-CG2 4.07Å; F132-Y478 HydrophobicContact CB-CD2 3.93Å; F132-Y478 HydrophobicContact CB-CE1 3.96Å; F132-Y478 HydrophobicContact CB-CE2 3.31Å; F132-Y478 WeakPolarHBondContact CB-OH 3.31Å; F132-Y478 HydrophobicContact CG-CE2 4.15Å
133	A	97.3	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-99.3	-6.9	176.5	0	0	0	0	0	113.3	D130 V131 Y459 Y478 P498 M499 F508	D130-A133 HydrophobicContact CB-CB 4.02Å; D130-A133 PolarHBondContact O-N 3.25Å; V131-A133 PolarHBondContact O-N 2.67Å; A133-Y459 HydrophobicContact CB-CE2 3.86Å; A133-Y459 WeakPolarHBondContact CB-OH 3.24Å; A133-Y478 HydrophobicContact CB-CD1 3.77Å; A133-Y478 HydrophobicContact CB-CE1 3.71Å; A133-P498 WeakPolarHBondContact O-CA 3.28Å; A133-M499 PolarHBondContact O-N 3.4Å; A133-F508 WeakPolarHBondContact O-CE2 3.43Å
134	F	98.2	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-85.3	-65.2	-167.6	-160.9	-119.2	0	0	0	112.7	Y127 L129 D130 V131 L148 E151 Y154 I155 Y459 M499 W501	Y127-F134 AromaticContact CE1-CE2 3.92Å; Y127-F134 HydrophobicContact CE1-CE2 3.92Å; Y127-F134 AromaticContact CE1-CZ 3.99Å; Y127-F134 HydrophobicContact CE1-CZ 3.99Å; L129-F134 HydrophobicContact CD1-CB 4.45Å; D130-F134 WeakPolarHBondContact O-CB 3.5Å; D130-F134 PolarHBondContact O-N 3.44Å; V131-F134 PolarHBondContact O-N 3.24Å; F134-L148 HydrophobicContact CD1-CB 4.44Å; F134-L148 HydrophobicContact CD1-CD1 3.47Å; F134-L148 VanDerWaalsContact CD1-CD1 3.47Å; F134-L148 HydrophobicContact CE1-CD1 3.63Å; F134-L148 HydrophobicContact CG-CD1 4.38Å; F134-E151 HydrophobicContact CD1-CB 4.49Å; F134-E151 HydrophobicContact CE1-CB 3.65Å; F134-E151 HydrophobicContact CE1-CG 4.24Å; F134-E151 HydrophobicContact CZ-CB 4.37Å; F134-Y154 HydrophobicContact CZ-CD1 4.27Å; F134-Y154 HydrophobicContact CZ-CE1 4.47Å; F134-I155 HydrophobicContact CE1-CD1 4.07Å; F134-I155 HydrophobicContact CE1-CG1 4.46Å; F134-I155 HydrophobicContact CZ-CD1 4.21Å; F134-I155 HydrophobicContact CZ-CG1 4.18Å; F134-Y459 HydrophobicContact CD2-CD2 4.21Å; F134-M499 HydrophobicContact CD2-CB 4.17Å; F134-M499 HydrophobicContact CD2-CG 4.09Å; F134-M499 HydrophobicContact CE2-CG 4.09Å; F134-M499 HydrophobicContact CE2-SD 4.33Å; F134-W501 HydrophobicContact CD1-CZ2 4.09Å; F134-W501 HydrophobicContact CD2-CZ2 4Å; F134-W501 AromaticContact CE1-CH2 3.99Å; F134-W501 HydrophobicContact CE1-CH2 3.99Å; F134-W501 AromaticContact CE1-CZ2 3.72Å; F134-W501 HydrophobicContact CE1-CZ2 3.72Å; F134-W501 AromaticContact CE2-CH2 3.81Å; F134-W501 HydrophobicContact CE2-CH2 3.81Å; F134-W501 AromaticContact CE2-CZ2 3.57Å; F134-W501 HydrophobicContact CE2-CZ2 3.57Å; F134-W501 HydrophobicContact CG-CZ2 4.24Å; F134-W501 AromaticContact CZ-CH2 3.43Å; F134-W501 HydrophobicContact CZ-CH2 3.43Å; F134-W501 VanDerWaalsContact CZ-CH2 3.43Å; F134-W501 AromaticContact CZ-CZ2 3.44Å; F134-W501 HydrophobicContact CZ-CZ2 3.44Å; F134-W501 VanDerWaalsContact CZ-CZ2 3.44Å; F134-W501 PolarHBondContact O-NE1 3.43Å
135	K	98.4	Very high	97.9	Very high	40 Å²	40	15.8 Å²	15.8	17%	0.174	10%	0.1	C	C	.	.			trans	-156.3	126.7	179.2	-176.6	169.5	-178.2	-173.6	0	111.4	G143 D144 G147 S150 E151 R507	K135-G143 VanDerWaalsContact C-CA 3.49Å; K135-G143 WeakPolarHBondContact O-CA 3.46Å; K135-D144 PolarHBondContact O-N 3.09Å; K135-D144 VanDerWaalsContact O-N 3.09Å; K135-G147 WeakPolarHBondContact O-CA 3.38Å; K135-S150 WeakPolarHBondContact CD-OG 3.25Å; K135-S150 WeakPolarHBondContact CE-OG 3.46Å; K135-S150 PolarHBondContact NZ-OG 2.85Å; K135-E151 HydrophobicContact CB-CG 4.5Å; K135-E151 HydrophobicContact CD-CG 3.48Å; K135-E151 VanDerWaalsContact CD-CG 3.48Å; K135-E151 WeakPolarHBondContact CD-OE1 3.47Å; K135-E151 IonicContact NZ-OE1 3.78Å; K135-E151 PolarHBondContact NZ-OE1 3.02Å; K135-R507 VanDerWaalsContact CE-O 3.26Å; K135-R507 WeakPolarHBondContact CE-O 3.46Å; K135-R507 WeakPolarHBondContact CG-O 3.42Å
136	D	98.4	Very high	98	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.032	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-88.3	123.7	176.6	169.7	21.6	0	0	0	110.1	S138 G139 D140 L141 I142 F508 S509	D136-S138 WeakPolarHBondContact OD1-CA 3.36Å; D136-S138 PolarHBondContact OD1-N 3.18Å; D136-S138 PolarHBondContact OD1-OG 3.44Å; D136-S138 VanDerWaalsContact OD1-OG 3.09Å; D136-G139 PolarHBondContact OD1-N 2.92Å; D136-G139 WeakPolarHBondContact OD2-CA 3.4Å; D136-G139 PolarHBondContact OD2-N 2.74Å; D136-D140 PolarHBondContact OD2-N 2.87Å; D136-D140 VanDerWaalsContact OD2-N 3.14Å; D136-L141 VanDerWaalsContact OD2-CA 3.32Å; D136-L141 WeakPolarHBondContact OD2-CA 3.42Å; D136-L141 PolarHBondContact OD2-N 3.41Å; D136-I142 WeakPolarHBondContact CA-O 3.04Å; D136-I142 VanDerWaalsContact CB-O 3.27Å; D136-I142 WeakPolarHBondContact CB-O 3.19Å; D136-F508 WeakPolarHBondContact CB-O 3.27Å; D136-F508 PolarHBondContact N-O 3.36Å; D136-S509 VanDerWaalsContact OD2-CB 3.24Å; D136-S509 WeakPolarHBondContact OD2-CB 3.35Å; D136-S509 PolarHBondContact OD2-OG 2.9Å
137	S	98.1	Very high	98	Very high	67 Å²	67	18.9 Å²	18.9	47%	0.469	12%	0.116	S	C	.	.	S	Bend	trans	-106.1	-14.4	173.5	80.6	0	0	0	0	113.5	D144 N146	S137-D144 WeakPolarHBondContact CA-OD2 3.15Å; S137-D144 WeakPolarHBondContact CB-OD2 3.25Å; S137-D144 PolarHBondContact N-OD2 3.41Å; S137-D144 PolarHBondContact OG-OD1 3.37Å; S137-D144 PolarHBondContact OG-OD2 2.88Å; S137-N146 VanDerWaalsContact OG-CB 3.31Å; S137-N146 WeakPolarHBondContact OG-CB 3.37Å
138	S	96.8	Very high	98	Very high	79 Å²	79	18.9 Å²	18.9	55%	0.552	12%	0.116	S	C	*	.	S	Bend	trans	-89.2	-20.7	-176.3	80.1	0	0	0	0	113.2	D136 D140 D144	D136-S138 WeakPolarHBondContact OD1-CA 3.36Å; D136-S138 PolarHBondContact OD1-N 3.18Å; D136-S138 PolarHBondContact OD1-OG 3.44Å; D136-S138 VanDerWaalsContact OD1-OG 3.09Å; S138-D140 PolarHBondContact OG-N 2.81Å; S138-D140 PolarHBondContact OG-OD1 3.25Å; S138-D140 VanDerWaalsContact OG-OD1 3.04Å; S138-D144 PolarHBondContact N-OD2 2.66Å
139	G	96.6	Very high	98	Very high	25 Å²	25	19 Å²	19	26%	0.258	12%	0.117	S	C	.	.	S	Bend	trans	86.8	9	-179.3	0	0	0	0	0	114.3	D136 L141 T511	D136-G139 PolarHBondContact OD1-N 2.92Å; D136-G139 WeakPolarHBondContact OD2-CA 3.4Å; D136-G139 PolarHBondContact OD2-N 2.74Å; G139-L141 VanDerWaalsContact C-N 3.35Å; G139-T511 VanDerWaalsContact CA-CG2 3.43Å; G139-T511 WeakPolarHBondContact O-CG2 3.45Å; G139-T511 PolarHBondContact O-OG1 3.42Å
140	D	96.3	Very high	98	Very high	61 Å²	61	21.7 Å²	21.7	33%	0.326	14%	0.136	S	C	.	.	S	Bend	trans	-90.1	5.3	-179.7	77.3	-8	0	0	0	113.7	D136 S138 I142 K480	D136-D140 PolarHBondContact OD2-N 2.87Å; D136-D140 VanDerWaalsContact OD2-N 3.14Å; S138-D140 PolarHBondContact OG-N 2.81Å; S138-D140 PolarHBondContact OG-OD1 3.25Å; S138-D140 VanDerWaalsContact OG-OD1 3.04Å; D140-I142 VanDerWaalsContact C-N 3.28Å; D140-I142 WeakPolarHBondContact OD1-CA 3.47Å; D140-I142 WeakPolarHBondContact OD1-CB 3.38Å; D140-I142 PolarHBondContact OD1-N 3.08Å; D140-K480 WeakPolarHBondContact O-CE 3.49Å; D140-K480 PolarHBondContact O-NZ 2.91Å
141	L	96.8	Very high	98	Very high	32 Å²	32	22.1 Å²	22.1	17%	0.168	14%	0.138	C	C	.	.	S	Bend	trans	67.9	20.4	-176.7	-48.5	177	0	0	0	114.5	D136 G139 L477 L512	D136-L141 VanDerWaalsContact OD2-CA 3.32Å; D136-L141 WeakPolarHBondContact OD2-CA 3.42Å; D136-L141 PolarHBondContact OD2-N 3.41Å; G139-L141 VanDerWaalsContact C-N 3.35Å; L141-L477 HydrophobicContact CD1-CD2 4.4Å; L141-L512 HydrophobicContact CD1-CD2 4.46Å; L141-L512 HydrophobicContact CD2-CD1 4.16Å; L141-L512 HydrophobicContact CD2-CD2 3.71Å; L141-L512 HydrophobicContact CD2-CG 3.63Å
142	I	97.6	Very high	98	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.036	14%	0.14	C	C	.	.	S	Bend	trans	-123.3	129.7	174.7	-56.1	153.1	0	0	0	108	F132 D136 D140 Y174 A193 Y478	F132-I142 HydrophobicContact CB-CG2 4.05Å; F132-I142 HydrophobicContact CD1-CG2 3.8Å; F132-I142 HydrophobicContact CG-CG2 4.4Å; D136-I142 WeakPolarHBondContact CA-O 3.04Å; D136-I142 VanDerWaalsContact CB-O 3.27Å; D136-I142 WeakPolarHBondContact CB-O 3.19Å; D140-I142 VanDerWaalsContact C-N 3.28Å; D140-I142 WeakPolarHBondContact OD1-CA 3.47Å; D140-I142 WeakPolarHBondContact OD1-CB 3.38Å; D140-I142 PolarHBondContact OD1-N 3.08Å; I142-Y174 HydrophobicContact CD1-CD1 4.39Å; I142-Y174 HydrophobicContact CD1-CE1 3.39Å; I142-Y174 VanDerWaalsContact CD1-OH 3.29Å; I142-Y174 WeakPolarHBondContact CD1-OH 3.37Å; I142-Y174 HydrophobicContact CG1-CE1 4.17Å; I142-A193 HydrophobicContact CG2-CB 4.13Å; I142-Y478 HydrophobicContact CG2-CD2 4.18Å
143	G	98.4	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.			trans	-66.8	147.1	179.1	0	0	0	0	0	113	V131 F132 K135	V131-G143 CarbonylContact O-C 3.44Å; V131-G143 VanDerWaalsContact O-CA 3.29Å; V131-G143 WeakPolarHBondContact O-CA 3.45Å; F132-G143 WeakPolarHBondContact CA-O 3.46Å; F132-G143 WeakPolarHBondContact O-CA 3.43Å; F132-G143 PolarHBondContact O-N 3.3Å; K135-G143 VanDerWaalsContact C-CA 3.49Å; K135-G143 WeakPolarHBondContact O-CA 3.46Å
144	D	98.7	Very high	98	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.059	16%	0.16	C	C	.	.			trans	-138.6	171.5	-175	65.6	48.1	0	0	0	111.7	K135 S137 S138 N146 G147 L148	K135-D144 PolarHBondContact O-N 3.09Å; K135-D144 VanDerWaalsContact O-N 3.09Å; S137-D144 WeakPolarHBondContact CA-OD2 3.15Å; S137-D144 WeakPolarHBondContact CB-OD2 3.25Å; S137-D144 PolarHBondContact N-OD2 3.41Å; S137-D144 PolarHBondContact OG-OD1 3.37Å; S137-D144 PolarHBondContact OG-OD2 2.88Å; S138-D144 PolarHBondContact N-OD2 2.66Å; D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.21Å; D144-N146 WeakPolarHBondContact OD1-CA 3.48Å; D144-N146 WeakPolarHBondContact OD1-CB 3.38Å; D144-N146 PolarHBondContact OD1-N 3.35Å; D144-G147 PolarHBondContact O-N 3.11Å; D144-G147 PolarHBondContact OD1-N 3.04Å; D144-L148 PolarHBondContact O-N 2.88Å
145	L	98.8	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-30.7	-179	-72.6	169.6	0	0	0	113	V131 T149 L190 V194 D199 F200 F203	V131-L145 HydrophobicContact CG1-CD2 4.43Å; L145-T149 WeakPolarHBondContact O-CB 3.47Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.46Å; L145-L190 HydrophobicContact CD1-CD1 4.15Å; L145-V194 HydrophobicContact CD1-CG1 4.2Å; L145-V194 HydrophobicContact CG-CG1 4.48Å; L145-V194 HydrophobicContact CG-CG2 4.12Å; L145-V194 WeakPolarHBondContact CG-O 3.25Å; L145-V194 PolarHBondContact N-O 2.04Å; L145-D199 HydrophobicContact CB-CB 4.3Å; L145-D199 HydrophobicContact CD1-CB 4.44Å; L145-F200 HydrophobicContact CD1-CB 3.87Å; L145-F200 HydrophobicContact CD1-CD2 4.15Å; L145-F203 HydrophobicContact CD2-CD1 4.11Å; L145-F203 HydrophobicContact CD2-CG 4.13Å
146	N	98.6	Very high	98	Very high	64 Å²	64	27.8 Å²	27.8	34%	0.342	17%	0.166	S	C	.	.	H	α-helix	trans	-73.9	-40.9	-179.9	-79.3	-42.5	0	0	0	111.2	S137 D144 T149 S150 D199	S137-N146 VanDerWaalsContact OG-CB 3.31Å; S137-N146 WeakPolarHBondContact OG-CB 3.37Å; D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.21Å; D144-N146 WeakPolarHBondContact OD1-CA 3.48Å; D144-N146 WeakPolarHBondContact OD1-CB 3.38Å; D144-N146 PolarHBondContact OD1-N 3.35Å; N146-T149 WeakPolarHBondContact O-CB 3.41Å; N146-T149 PolarHBondContact O-N 3.08Å; N146-S150 PolarHBondContact O-N 2.91Å; N146-D199 PolarHBondContact ND2-OD1 2.94Å
147	G	98.6	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-51	170.8	0	0	0	0	0	111.2	K135 D144 T149 S150	K135-G147 WeakPolarHBondContact O-CA 3.38Å; D144-G147 PolarHBondContact O-N 3.11Å; D144-G147 PolarHBondContact OD1-N 3.04Å; G147-T149 VanDerWaalsContact C-N 3.31Å; G147-T149 PolarHBondContact O-N 3.11Å; G147-S150 WeakPolarHBondContact O-CB 3.35Å; G147-S150 PolarHBondContact O-N 3.06Å; G147-S150 VanDerWaalsContact O-N 3.08Å; G147-S150 PolarHBondContact O-OG 3.5Å
148	L	98.7	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-44.2	173.9	174.8	61	0	0	0	112.3	L129 V131 F134 D144 S150 E151 I155 L166 F203 F207	L129-L148 HydrophobicContact CD1-CD1 3.9Å; L129-L148 HydrophobicContact CD1-CD2 4.06Å; L129-L148 HydrophobicContact CD2-CD1 3.72Å; V131-L148 HydrophobicContact CG1-CB 4.46Å; V131-L148 HydrophobicContact CG1-CD2 4.31Å; V131-L148 HydrophobicContact CG2-CD2 4.01Å; F134-L148 HydrophobicContact CD1-CB 4.44Å; F134-L148 HydrophobicContact CD1-CD1 3.47Å; F134-L148 VanDerWaalsContact CD1-CD1 3.47Å; F134-L148 HydrophobicContact CE1-CD1 3.63Å; F134-L148 HydrophobicContact CG-CD1 4.38Å; D144-L148 PolarHBondContact O-N 2.88Å; L148-S150 PolarHBondContact O-N 3.42Å; L148-E151 PolarHBondContact O-N 2.86Å; L148-I155 HydrophobicContact CD1-CD1 3.83Å; L148-L166 HydrophobicContact CD2-CD1 4.47Å; L148-L166 HydrophobicContact CD2-CD2 3.79Å; L148-F203 HydrophobicContact CD2-CD2 4.06Å; L148-F203 HydrophobicContact CD2-CE2 3.43Å; L148-F203 VanDerWaalsContact CD2-CE2 3.43Å; L148-F203 HydrophobicContact CD2-CZ 4Å; L148-F203 HydrophobicContact CG-CD2 4.25Å; L148-F203 HydrophobicContact CG-CE2 3.84Å; L148-F207 HydrophobicContact CD1-CZ 4.01Å; L148-F207 HydrophobicContact CG-CE2 4.42Å; L148-F207 HydrophobicContact CG-CZ 3.99Å
149	T	98.7	Very high	97.9	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-59.1	-34	178	-66.3	0	0	0	0	112.5	L145 N146 G147 E151 F203 R206	L145-T149 WeakPolarHBondContact O-CB 3.47Å; L145-T149 PolarHBondContact O-N 3.02Å; L145-T149 PolarHBondContact O-OG1 3.46Å; N146-T149 WeakPolarHBondContact O-CB 3.41Å; N146-T149 PolarHBondContact O-N 3.08Å; G147-T149 VanDerWaalsContact C-N 3.31Å; G147-T149 PolarHBondContact O-N 3.11Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.02Å; T149-F203 VanDerWaalsContact OG1-CA 3.28Å; T149-F203 WeakPolarHBondContact OG1-CA 3.48Å; T149-F203 VanDerWaalsContact OG1-CB 3.26Å; T149-F203 WeakPolarHBondContact OG1-CB 3.48Å; T149-R206 HydrophobicContact CG2-CB 4.04Å; T149-R206 VanDerWaalsContact CG2-CD 3.41Å; T149-R206 HydrophobicContact CG2-CG 4Å
150	S	98.3	Very high	97.9	Very high	57 Å²	57	26 Å²	26	40%	0.399	15%	0.15	S	C	.	.	H	α-helix	trans	-70.3	-20.1	178.2	80.2	0	0	0	0	113.7	K135 N146 G147 L148	K135-S150 WeakPolarHBondContact CD-OG 3.25Å; K135-S150 WeakPolarHBondContact CE-OG 3.46Å; K135-S150 PolarHBondContact NZ-OG 2.85Å; N146-S150 PolarHBondContact O-N 2.91Å; G147-S150 WeakPolarHBondContact O-CB 3.35Å; G147-S150 PolarHBondContact O-N 3.06Å; G147-S150 VanDerWaalsContact O-N 3.08Å; G147-S150 PolarHBondContact O-OG 3.5Å; L148-S150 PolarHBondContact O-N 3.42Å
151	E	98.1	Very high	98	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.056	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12	-175.2	-66	-63.5	160.9	0	0	113.1	F134 K135 L148 T149 D153 Y154 I155 W501 R507	F134-E151 HydrophobicContact CD1-CB 4.49Å; F134-E151 HydrophobicContact CE1-CB 3.65Å; F134-E151 HydrophobicContact CE1-CG 4.24Å; F134-E151 HydrophobicContact CZ-CB 4.37Å; K135-E151 HydrophobicContact CB-CG 4.5Å; K135-E151 HydrophobicContact CD-CG 3.48Å; K135-E151 VanDerWaalsContact CD-CG 3.48Å; K135-E151 WeakPolarHBondContact CD-OE1 3.47Å; K135-E151 IonicContact NZ-OE1 3.78Å; K135-E151 PolarHBondContact NZ-OE1 3.02Å; L148-E151 PolarHBondContact O-N 2.86Å; T149-E151 VanDerWaalsContact C-N 3.25Å; T149-E151 PolarHBondContact O-N 3.02Å; E151-D153 PolarHBondContact O-N 3.15Å; E151-D153 VanDerWaalsContact O-N 3.16Å; E151-Y154 WeakPolarHBondContact O-CB 3.3Å; E151-Y154 PolarHBondContact O-N 3.11Å; E151-I155 PolarHBondContact O-N 2.97Å; E151-I155 VanDerWaalsContact O-N 3.09Å; E151-W501 HydrophobicContact CB-CH2 4.27Å; E151-W501 HydrophobicContact CB-CZ2 4.48Å; E151-W501 HydrophobicContact CG-CH2 4.02Å; E151-W501 HydrophobicContact CG-CZ2 3.96Å; E151-R507 IonicContact OE1-CZ 2.93Å; E151-R507 IonicContact OE1-NE 2.96Å; E151-R507 PolarHBondContact OE1-NE 2.86Å; E151-R507 IonicContact OE1-NH2 2.74Å; E151-R507 IonicContact OE2-CZ 3.43Å; E151-R507 IonicContact OE2-NE 3.88Å; E151-R507 IonicContact OE2-NH2 2.71Å; E151-R507 PolarHBondContact OE2-NH2 2.93Å
152	V	98.3	Very high	98	Very high	8 Å²	8	21.8 Å²	21.8	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-32.8	177.2	67.8	0	0	0	0	112.6	I155 K156 F207 K210 V212	V152-I155 PolarHBondContact O-N 2.91Å; V152-K156 WeakPolarHBondContact O-CB 3.48Å; V152-K156 PolarHBondContact O-N 2.91Å; V152-F207 HydrophobicContact CB-CD2 4.03Å; V152-F207 HydrophobicContact CB-CE2 3.65Å; V152-F207 HydrophobicContact CB-CZ 4.18Å; V152-F207 HydrophobicContact CG2-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CD2 3.69Å; V152-F207 HydrophobicContact CG2-CE2 3.73Å; V152-F207 HydrophobicContact CG2-CG 4.05Å; V152-F207 HydrophobicContact CG2-CZ 4.15Å; V152-K210 HydrophobicContact CG1-CG 4.09Å; V152-K210 HydrophobicContact CG2-CB 3.93Å; V152-K210 HydrophobicContact CG2-CG 3.91Å; V152-V212 HydrophobicContact CG2-CG2 4.41Å
153	D	98.2	Very high	98.1	Very high	73 Å²	73	21.5 Å²	21.5	39%	0.39	13%	0.126	S	C	.	.	H	α-helix	trans	-70.5	-36.8	177.6	-80.1	-35.1	0	0	0	111.9	E151 T157 K210	E151-D153 PolarHBondContact O-N 3.15Å; E151-D153 VanDerWaalsContact O-N 3.16Å; D153-T157 WeakPolarHBondContact O-CB 3.44Å; D153-T157 PolarHBondContact O-N 3.14Å; D153-T157 PolarHBondContact O-OG1 3.35Å; D153-K210 VanDerWaalsContact CG-NZ 3.3Å; D153-K210 VanDerWaalsContact OD1-CE 3.22Å; D153-K210 WeakPolarHBondContact OD1-CE 2.85Å; D153-K210 IonicContact OD1-NZ 3.89Å; D153-K210 PolarHBondContact OD1-NZ 3.08Å; D153-K210 IonicContact OD2-NZ 3.63Å; D153-K210 PolarHBondContact OD2-NZ 2.89Å; D153-K210 VanDerWaalsContact OD2-NZ 3.15Å
154	Y	98.1	Very high	98.1	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	13%	0.126	C	C	.	.	I	π-helix	trans	-60.9	-50.6	170.8	170.6	-95	0	0	0	110.9	F134 E151 K156 V158 V159 E462 M499 W501 V530	F134-Y154 HydrophobicContact CZ-CD1 4.27Å; F134-Y154 HydrophobicContact CZ-CE1 4.47Å; E151-Y154 WeakPolarHBondContact O-CB 3.3Å; E151-Y154 PolarHBondContact O-N 3.11Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 3.18Å; Y154-V158 HydrophobicContact CD2-CB 3.66Å; Y154-V158 HydrophobicContact CD2-CG1 3.89Å; Y154-V158 HydrophobicContact CD2-CG2 3.86Å; Y154-V158 HydrophobicContact CE2-CB 3.93Å; Y154-V158 HydrophobicContact CE2-CG1 3.66Å; Y154-V158 HydrophobicContact CE2-CG2 4.48Å; Y154-V158 HydrophobicContact CG-CB 4.33Å; Y154-V158 WeakPolarHBondContact O-CA 3.3Å; Y154-V158 VanDerWaalsContact O-CB 3.27Å; Y154-V158 WeakPolarHBondContact O-CB 3.35Å; Y154-V158 PolarHBondContact O-N 2.87Å; Y154-V159 HydrophobicContact CD1-CG2 4.17Å; Y154-V159 HydrophobicContact CE1-CG2 3.59Å; Y154-V159 PolarHBondContact O-N 3.25Å; Y154-E462 WeakPolarHBondContact OH-CG 3.2Å; Y154-E462 PolarHBondContact OH-OE1 3.3Å; Y154-E462 VanDerWaalsContact OH-OE1 3.13Å; Y154-M499 HydrophobicContact CE1-CE 4.33Å; Y154-W501 AromaticContact CD1-CH2 3.57Å; Y154-W501 HydrophobicContact CD1-CH2 3.57Å; Y154-W501 AromaticContact CD1-CZ3 3.71Å; Y154-W501 HydrophobicContact CD1-CZ3 3.71Å; Y154-W501 AromaticContact CD2-CZ3 3.87Å; Y154-W501 HydrophobicContact CD2-CZ3 3.87Å; Y154-W501 AromaticContact CE1-CH2 3.78Å; Y154-W501 HydrophobicContact CE1-CH2 3.78Å; Y154-W501 AromaticContact CE1-CZ3 3.78Å; Y154-W501 HydrophobicContact CE1-CZ3 3.78Å; Y154-W501 AromaticContact CE2-CZ3 3.93Å; Y154-W501 HydrophobicContact CE2-CZ3 3.93Å; Y154-W501 AromaticContact CG-CH2 3.98Å; Y154-W501 HydrophobicContact CG-CH2 3.98Å; Y154-W501 AromaticContact CG-CZ3 3.75Å; Y154-W501 HydrophobicContact CG-CZ3 3.75Å; Y154-W501 AromaticContact CZ-CZ3 3.89Å; Y154-V530 HydrophobicContact CD2-CG1 4.23Å; Y154-V530 HydrophobicContact CE2-CG1 3.58Å; Y154-V530 HydrophobicContact CE2-CG2 4.17Å
155	I	98.3	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-58.3	-45.1	179.7	-64.7	169.8	0	0	0	111	Y127 L129 F134 L148 E151 V152 V159 G160 A161 F207	Y127-I155 HydrophobicContact CD1-CB 4.5Å; Y127-I155 HydrophobicContact CD1-CD1 4.22Å; Y127-I155 HydrophobicContact CD1-CG1 3.87Å; Y127-I155 HydrophobicContact CD1-CG2 4.02Å; Y127-I155 HydrophobicContact CE1-CD1 4.39Å; Y127-I155 HydrophobicContact CE1-CG1 3.93Å; Y127-I155 HydrophobicContact CG-CG2 4.41Å; L129-I155 HydrophobicContact CD2-CD1 4.07Å; F134-I155 HydrophobicContact CE1-CD1 4.07Å; F134-I155 HydrophobicContact CE1-CG1 4.46Å; F134-I155 HydrophobicContact CZ-CD1 4.21Å; F134-I155 HydrophobicContact CZ-CG1 4.18Å; L148-I155 HydrophobicContact CD1-CD1 3.83Å; E151-I155 PolarHBondContact O-N 2.97Å; E151-I155 VanDerWaalsContact O-N 3.09Å; V152-I155 PolarHBondContact O-N 2.91Å; I155-V159 WeakPolarHBondContact O-CB 3.48Å; I155-G160 PolarHBondContact O-N 3.07Å; I155-A161 HydrophobicContact CG2-CB 3.89Å; I155-A161 PolarHBondContact O-N 3.48Å; I155-F207 HydrophobicContact CD1-CE1 4.06Å; I155-F207 HydrophobicContact CD1-CZ 3.75Å
156	K	97.8	Very high	98.1	Very high	71 Å²	71	21 Å²	21	31%	0.309	12%	0.124	S	C	.	.	I	π-helix	trans	-77.2	-43.2	-175.4	-178.8	57.2	-178.2	178	0	113.5	V152 Y154 G160 A161 V212	V152-K156 WeakPolarHBondContact O-CB 3.48Å; V152-K156 PolarHBondContact O-N 2.91Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 3.18Å; K156-G160 VanDerWaalsContact O-CA 3.25Å; K156-G160 WeakPolarHBondContact O-CA 3.44Å; K156-A161 VanDerWaalsContact CD-O 3.31Å; K156-A161 WeakPolarHBondContact CD-O 3.27Å; K156-A161 PolarHBondContact NZ-O 3.2Å; K156-V212 HydrophobicContact CB-CG2 4.09Å; K156-V212 HydrophobicContact CD-CG2 3.96Å; K156-V212 HydrophobicContact CG-CG2 4.42Å
157	T	96.6	Very high	98	Very high	96 Å²	96	18 Å²	18	59%	0.589	11%	0.109	S	C	*	.	I	π-helix	trans	-104	-32.2	-166.7	69.4	0	0	0	0	113.4	D153	D153-T157 WeakPolarHBondContact O-CB 3.44Å; D153-T157 PolarHBondContact O-N 3.14Å; D153-T157 PolarHBondContact O-OG1 3.35Å
158	V	96.5	Very high	98	Very high	22 Å²	22	18.5 Å²	18.5	13%	0.133	11%	0.112	C	C	.	.	I	π-helix	trans	-89.1	-54.2	178.5	-176.9	0	0	0	0	109.9	Y154 L534 L543 K547	Y154-V158 HydrophobicContact CD2-CB 3.66Å; Y154-V158 HydrophobicContact CD2-CG1 3.89Å; Y154-V158 HydrophobicContact CD2-CG2 3.86Å; Y154-V158 HydrophobicContact CE2-CB 3.93Å; Y154-V158 HydrophobicContact CE2-CG1 3.66Å; Y154-V158 HydrophobicContact CE2-CG2 4.48Å; Y154-V158 HydrophobicContact CG-CB 4.33Å; Y154-V158 WeakPolarHBondContact O-CA 3.3Å; Y154-V158 VanDerWaalsContact O-CB 3.27Å; Y154-V158 WeakPolarHBondContact O-CB 3.35Å; Y154-V158 PolarHBondContact O-N 2.87Å; V158-L534 HydrophobicContact CG1-CD1 4.16Å; V158-L534 HydrophobicContact CG1-CD2 3.93Å; V158-L534 HydrophobicContact CG2-CD1 4.48Å; V158-L543 HydrophobicContact CG1-CD1 4.06Å; V158-L543 HydrophobicContact CG1-CD2 4.09Å; V158-L543 HydrophobicContact CG1-CG 4.21Å; V158-K547 HydrophobicContact CG1-CD 4.18Å; V158-K547 WeakPolarHBondContact O-CG 3.34Å
159	V	97.2	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-73.5	-35.8	176.5	-177.1	0	0	0	0	110.9	Y127 Y154 I155 A161 I457 E462	Y127-V159 HydrophobicContact CD2-CB 4.49Å; Y127-V159 HydrophobicContact CD2-CG1 3.7Å; Y127-V159 HydrophobicContact CD2-CG2 4.36Å; Y127-V159 HydrophobicContact CE2-CG1 4.02Å; Y127-V159 HydrophobicContact CE2-CG2 3.98Å; Y127-V159 HydrophobicContact CG-CG1 4.39Å; Y154-V159 HydrophobicContact CD1-CG2 4.17Å; Y154-V159 HydrophobicContact CE1-CG2 3.59Å; Y154-V159 PolarHBondContact O-N 3.25Å; I155-V159 WeakPolarHBondContact O-CB 3.48Å; V159-A161 HydrophobicContact CG1-CB 4.48Å; V159-I457 HydrophobicContact CG1-CD1 3.76Å; V159-I457 HydrophobicContact CG1-CG2 4.48Å; V159-E462 HydrophobicContact CG2-CG 4.45Å
160	G	97	Very high	97.9	Very high	23 Å²	23	18.9 Å²	18.9	24%	0.237	11%	0.114	C	C	.	.			trans	85.6	21.4	-178.8	0	0	0	0	0	113.8	I155 K156	I155-G160 PolarHBondContact O-N 3.07Å; K156-G160 VanDerWaalsContact O-CA 3.25Å; K156-G160 WeakPolarHBondContact O-CA 3.44Å
161	A	98.1	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	145.8	-175.7	0	0	0	0	0	112.9	V125 I155 K156 V159	V125-A161 CarbonylContact O-C 3.45Å; V125-A161 VanDerWaalsContact O-CA 3.29Å; V125-A161 WeakPolarHBondContact O-CA 3.39Å; I155-A161 HydrophobicContact CG2-CB 3.89Å; I155-A161 PolarHBondContact O-N 3.48Å; K156-A161 VanDerWaalsContact CD-O 3.31Å; K156-A161 WeakPolarHBondContact CD-O 3.27Å; K156-A161 PolarHBondContact NZ-O 3.2Å; V159-A161 HydrophobicContact CG1-CB 4.48Å
162	G	98.2	Very high	97.8	Very high	4 Å²	4	18 Å²	18	4%	0.041	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-15.2	171.8	0	0	0	0	0	113.6	T124 V125 V212 K213	T124-G162 WeakPolarHBondContact OG1-CA 3.29Å; V125-G162 PolarHBondContact O-N 3.14Å; G162-V212 WeakPolarHBondContact O-CA 3.45Å; G162-K213 PolarHBondContact O-N 2.61Å
163	Y	98.8	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149.6	175.4	65.9	-83	0	0	0	111.1	F120 W121 G126 Y127 I165 K213 I215 L361	F120-Y163 AromaticContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CG 4.07Å; F120-Y163 HydrophobicContact CE2-CD1 4.15Å; F120-Y163 HydrophobicContact CE2-CD2 4.37Å; F120-Y163 AromaticContact CE2-CG 3.85Å; F120-Y163 HydrophobicContact CE2-CG 3.85Å; W121-Y163 HydrophobicContact CB-CE1 4.19Å; G126-Y163 CarbonylContact C-O 3.43Å; G126-Y163 VanDerWaalsContact CA-CE2 3.45Å; G126-Y163 WeakPolarHBondContact CA-O 3.5Å; G126-Y163 VanDerWaalsContact N-CE1 3.28Å; Y127-Y163 PolarHBondContact N-O 3.27Å; Y163-I165 HydrophobicContact CD2-CG1 4.09Å; Y163-I165 HydrophobicContact CE2-CD1 4.01Å; Y163-I165 HydrophobicContact CE2-CG1 3.99Å; Y163-K213 CarbonylContact C-O 3.53Å; Y163-K213 VanDerWaalsContact CA-O 3.25Å; Y163-K213 WeakPolarHBondContact CA-O 3.45Å; Y163-I215 HydrophobicContact CD2-CD1 3.91Å; Y163-I215 HydrophobicContact CD2-CG1 4.4Å; Y163-I215 HydrophobicContact CG-CD1 4.3Å; Y163-L361 HydrophobicContact CE2-CD2 4.38Å
164	A	98.8	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.4	175.5	0	0	0	0	0	109.6	Y127 L166 F207 V212 K213 I215	Y127-A164 CarbonylContact O-C 3.43Å; Y127-A164 WeakPolarHBondContact O-CA 3.38Å; A164-L166 HydrophobicContact CB-CD2 4.49Å; A164-F207 HydrophobicContact CB-CD1 4.32Å; A164-F207 HydrophobicContact CB-CE1 3.92Å; A164-V212 HydrophobicContact CB-CG1 4.16Å; A164-K213 PolarHBondContact N-O 2.86Å; A164-I215 PolarHBondContact O-N 2.82Å
165	I	98.8	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.2	168	-55.3	171.6	0	0	0	106.3	Y127 W128 L129 Y163 I215 L302 I456	Y127-I165 PolarHBondContact O-N 3.48Å; W128-I165 WeakPolarHBondContact CA-O 3.36Å; W128-I165 HydrophobicContact CB-CB 4.08Å; W128-I165 VanDerWaalsContact CD1-O 3.28Å; W128-I165 HydrophobicContact CD2-CG2 4.41Å; W128-I165 HydrophobicContact CG-CB 3.98Å; W128-I165 HydrophobicContact CG-CG2 4.05Å; L129-I165 PolarHBondContact N-O 3.06Å; Y163-I165 HydrophobicContact CD2-CG1 4.09Å; Y163-I165 HydrophobicContact CE2-CD1 4.01Å; Y163-I165 HydrophobicContact CE2-CG1 3.99Å; I165-I215 HydrophobicContact CB-CB 4.46Å; I165-I215 HydrophobicContact CG1-CB 4.1Å; I165-I215 HydrophobicContact CG1-CG1 4.49Å; I165-I215 HydrophobicContact CG1-CG2 4.24Å; I165-I215 HydrophobicContact CG2-CG2 4.24Å; I165-L302 HydrophobicContact CD1-CD1 4.19Å; I165-L302 HydrophobicContact CG2-CB 4.21Å; I165-L302 HydrophobicContact CG2-CD1 4.01Å; I165-I456 HydrophobicContact CD1-CD1 4Å; I165-I456 HydrophobicContact CD1-CG2 4.37Å
166	L	98.7	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.8	173.2	-52.9	-169	0	0	0	108.5	L129 V131 L148 A164 I169 F203 V214 I215 L216 T217	L129-L166 HydrophobicContact CD1-CD2 3.89Å; L129-L166 HydrophobicContact CD2-CD2 4.39Å; L129-L166 HydrophobicContact CG-CD2 4.11Å; V131-L166 HydrophobicContact CG2-CB 4.32Å; V131-L166 HydrophobicContact CG2-CD1 4.21Å; V131-L166 HydrophobicContact CG2-CD2 4.23Å; V131-L166 HydrophobicContact CG2-CG 4.49Å; L148-L166 HydrophobicContact CD2-CD1 4.47Å; L148-L166 HydrophobicContact CD2-CD2 3.79Å; A164-L166 HydrophobicContact CB-CD2 4.49Å; L166-I169 HydrophobicContact CB-CG2 4.4Å; L166-I169 HydrophobicContact CD1-CD1 4.37Å; L166-I169 HydrophobicContact CD1-CG2 4.47Å; L166-F203 HydrophobicContact CD1-CE1 3.79Å; L166-F203 HydrophobicContact CD1-CZ 3.71Å; L166-F203 HydrophobicContact CD2-CZ 4.21Å; L166-F203 HydrophobicContact CG-CZ 4.39Å; L166-V214 HydrophobicContact CD1-CG1 4.36Å; L166-V214 HydrophobicContact CG-CG1 4.47Å; L166-I215 PolarHBondContact N-O 3.06Å; L166-L216 HydrophobicContact CB-CD2 4.14Å; L166-L216 HydrophobicContact CD1-CD2 3.84Å; L166-L216 HydrophobicContact CG-CD2 4.19Å; L166-T217 WeakPolarHBondContact O-CB 3.41Å; L166-T217 PolarHBondContact O-N 2.84Å; L166-T217 VanDerWaalsContact O-N 3.1Å; L166-T217 PolarHBondContact O-OG1 3.36Å
167	G	97.5	Very high	97.3	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	12%	0.118	C	C	.	.			trans	-55.5	175.9	160.9	0	0	0	0	0	111.7	L129 I169	L129-G167 PolarHBondContact O-N 3.36Å; G167-I169 WeakPolarHBondContact O-CG2 3.33Å; G167-I169 PolarHBondContact O-N 2.9Å
168	P	96.7	Very high	97.2	Very high	11 Å²	11	17.1 Å²	17.1	7%	0.071	10%	0.103	C	C	.	.			trans	-59.4	125.6	-178.5	-21.3	32.6	0	0	0	111.3	F132 F173 T217	F132-P168 WeakPolarHBondContact CE2-O 3.45Å; P168-F173 HydrophobicContact CB-CD2 3.55Å; P168-F173 HydrophobicContact CB-CE2 3.87Å; P168-F173 HydrophobicContact CB-CG 4.1Å; P168-F173 HydrophobicContact CG-CD2 3.95Å; P168-F173 HydrophobicContact CG-CE2 3.75Å; P168-T217 HydrophobicContact CG-CG2 4.2Å
169	I	98.1	Very high	97	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	12%	0.123	C	C	.	.			trans	-114.6	3.8	179.1	60.5	173.6	0	0	0	112.7	V131 L166 G167 L190 D191 V194 F200 L216	V131-I169 HydrophobicContact CB-CG2 4.31Å; V131-I169 HydrophobicContact CG2-CG2 3.64Å; L166-I169 HydrophobicContact CB-CG2 4.4Å; L166-I169 HydrophobicContact CD1-CD1 4.37Å; L166-I169 HydrophobicContact CD1-CG2 4.47Å; G167-I169 WeakPolarHBondContact O-CG2 3.33Å; G167-I169 PolarHBondContact O-N 2.9Å; I169-L190 HydrophobicContact CB-CD2 4.31Å; I169-L190 HydrophobicContact CD1-CD2 3.59Å; I169-L190 HydrophobicContact CG1-CD2 3.89Å; I169-D191 PolarHBondContact O-N 2.89Å; I169-V194 HydrophobicContact CB-CG2 4.23Å; I169-V194 HydrophobicContact CG2-CG2 4.09Å; I169-F200 HydrophobicContact CD1-CD2 4.14Å; I169-F200 HydrophobicContact CD1-CE2 3.85Å; I169-L216 HydrophobicContact CD1-CD1 4.33Å; I169-L216 HydrophobicContact CD1-CD2 3.8Å
170	T	98	Very high	96.9	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	156	-173.9	51.8	0	0	0	0	111.7	G172 F173 Y187 E189 F218 W293	T170-G172 PolarHBondContact O-N 3.33Å; T170-F173 WeakPolarHBondContact O-CB 3.34Å; T170-F173 PolarHBondContact O-N 3.13Å; T170-Y187 WeakPolarHBondContact CG2-O 3.38Å; T170-E189 CarbonylContact C-O 3.52Å; T170-E189 VanDerWaalsContact CA-O 3.32Å; T170-E189 WeakPolarHBondContact CA-O 3.47Å; T170-F218 HydrophobicContact CG2-CD1 4.34Å; T170-F218 HydrophobicContact CG2-CE1 3.8Å; T170-W293 HydrophobicContact CG2-CZ2 4.36Å
171	K	97.9	Very high	96.8	Very high	50 Å²	50	19.8 Å²	19.8	22%	0.217	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	132.3	-177.8	-171.5	176.6	-165.6	162.3	0	113.3	E185 D186 E189 E192	K171-E185 HydrophobicContact CG-CB 4.46Å; K171-E185 PolarHBondContact O-N 3.22Å; K171-D186 HydrophobicContact CB-CB 4.01Å; K171-D186 HydrophobicContact CD-CB 4.02Å; K171-D186 PolarHBondContact N-O 3.42Å; K171-D186 PolarHBondContact O-N 3.23Å; K171-E189 HydrophobicContact CB-CB 4.05Å; K171-E189 HydrophobicContact CD-CB 4.12Å; K171-E189 WeakPolarHBondContact CD-OE2 3.43Å; K171-E189 PolarHBondContact N-O 3.4Å; K171-E189 IonicContact NZ-OE2 2.7Å; K171-E189 PolarHBondContact NZ-OE2 3.35Å; K171-E192 VanDerWaalsContact CE-OE1 3.24Å; K171-E192 WeakPolarHBondContact CE-OE1 3.18Å; K171-E192 IonicContact NZ-OE1 3.89Å
172	G	96.6	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-3.4	177	0	0	0	0	0	113.9	T170 Y174 N176 L183 D191	T170-G172 PolarHBondContact O-N 3.33Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; G172-N176 WeakPolarHBondContact O-CB 3.49Å; G172-N176 PolarHBondContact O-ND2 3.03Å; G172-L183 CarbonylContact C-O 3.53Å; G172-D191 PolarHBondContact N-OD2 3.2Å
173	F	97	Very high	96.4	Very high	3 Å²	3	20 Å²	20	1%	0.013	11%	0.114	C	C	.	.	S	Bend	trans	-62	-45.6	173.8	-177.7	-96.1	0	0	0	111.3	F132 P168 T170 L181 G182 L183 D191 Y484 H496	F132-F173 AromaticContact CD2-CD1 3.74Å; F132-F173 HydrophobicContact CD2-CD1 3.74Å; F132-F173 AromaticContact CD2-CE1 3.85Å; F132-F173 HydrophobicContact CD2-CE1 3.85Å; F132-F173 HydrophobicContact CE2-CB 4.47Å; F132-F173 AromaticContact CE2-CD1 3.3Å; F132-F173 HydrophobicContact CE2-CD1 3.3Å; F132-F173 AromaticContact CE2-CE1 3.86Å; F132-F173 HydrophobicContact CE2-CE1 3.86Å; F132-F173 HydrophobicContact CE2-CG 4.21Å; F132-F173 HydrophobicContact CZ-CD1 4.16Å; P168-F173 HydrophobicContact CB-CD2 3.55Å; P168-F173 HydrophobicContact CB-CE2 3.87Å; P168-F173 HydrophobicContact CB-CG 4.1Å; P168-F173 HydrophobicContact CG-CD2 3.95Å; P168-F173 HydrophobicContact CG-CE2 3.75Å; T170-F173 WeakPolarHBondContact O-CB 3.34Å; T170-F173 PolarHBondContact O-N 3.13Å; F173-L181 HydrophobicContact CZ-CB 4.42Å; F173-L181 WeakPolarHBondContact O-CA 3.09Å; F173-G182 PolarHBondContact O-N 3.34Å; F173-L183 WeakPolarHBondContact CA-O 3.32Å; F173-L183 PolarHBondContact N-O 3Å; F173-D191 PolarHBondContact N-OD2 3.38Å; F173-Y484 AromaticContact CE2-CE2 3.97Å; F173-Y484 HydrophobicContact CE2-CE2 3.97Å; F173-Y484 HydrophobicContact CZ-CE2 4.1Å; F173-H496 AromaticContact CZ-CE1 3.94Å
174	Y	96.9	Very high	96.3	Very high	18 Å²	18	20.4 Å²	20.4	7%	0.071	12%	0.116	C	C	.	.	S	Bend	trans	-110.7	-47.2	176.3	-178.4	-99.2	0	0	0	112	I142 G172 N176 L181 D191 A193 Y478 K482	I142-Y174 HydrophobicContact CD1-CD1 4.39Å; I142-Y174 HydrophobicContact CD1-CE1 3.39Å; I142-Y174 VanDerWaalsContact CD1-OH 3.29Å; I142-Y174 WeakPolarHBondContact CD1-OH 3.37Å; I142-Y174 HydrophobicContact CG1-CE1 4.17Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-N176 VanDerWaalsContact C-N 3.29Å; Y174-N176 PolarHBondContact O-N 3.39Å; Y174-L181 HydrophobicContact CD2-CD2 3.66Å; Y174-L181 HydrophobicContact CE2-CD2 4.39Å; Y174-D191 PolarHBondContact N-OD2 3.02Å; Y174-A193 HydrophobicContact CD1-CB 3.74Å; Y174-A193 HydrophobicContact CE1-CB 4.3Å; Y174-Y478 HydrophobicContact CD2-CD2 4.2Å; Y174-Y478 AromaticContact CD2-CE2 3.61Å; Y174-Y478 HydrophobicContact CD2-CE2 3.61Å; Y174-Y478 AromaticContact CE2-CD2 3.83Å; Y174-Y478 HydrophobicContact CE2-CD2 3.83Å; Y174-Y478 AromaticContact CE2-CE2 3.71Å; Y174-Y478 HydrophobicContact CE2-CE2 3.71Å; Y174-K482 HydrophobicContact CD2-CD 3.99Å; Y174-K482 HydrophobicContact CE2-CD 3.73Å; Y174-K482 PolarHBondContact O-NZ 2.92Å
175	T	96.1	Very high	96.3	Very high	52 Å²	52	22 Å²	22	32%	0.319	12%	0.123	S	C	.	.	S	Bend	trans	-82.3	14	-170.1	51.8	0	0	0	0	116	D191 E192 A193	T175-D191 WeakPolarHBondContact CG2-OD1 3.39Å; T175-D191 PolarHBondContact N-OD2 3.24Å; T175-D191 VanDerWaalsContact OG1-CG 3.29Å; T175-D191 PolarHBondContact OG1-OD1 3.04Å; T175-D191 PolarHBondContact OG1-OD2 3.47Å; T175-D191 VanDerWaalsContact OG1-OD2 3.09Å; T175-E192 VanDerWaalsContact CB-OE2 3.32Å; T175-E192 WeakPolarHBondContact CB-OE2 3.33Å; T175-E192 HydrophobicContact CG2-CB 4.26Å; T175-E192 PolarHBondContact OG1-OE2 2.99Å; T175-A193 HydrophobicContact CG2-CB 4.02Å
176	N	95.7	Very high	96.2	Very high	10 Å²	10	22.3 Å²	22.3	5%	0.053	13%	0.125	C	C	.	.			trans	-66.2	159.9	179	64	80.3	0	0	0	113.9	G172 Y174 H178 N179 M180 L183 E185	G172-N176 WeakPolarHBondContact O-CB 3.49Å; G172-N176 PolarHBondContact O-ND2 3.03Å; Y174-N176 VanDerWaalsContact C-N 3.29Å; Y174-N176 PolarHBondContact O-N 3.39Å; N176-H178 PolarHBondContact O-N 2.62Å; N176-H178 WeakPolarHBondContact OD1-CA 3.29Å; N176-H178 WeakPolarHBondContact OD1-CB 3.12Å; N176-H178 PolarHBondContact OD1-N 2.75Å; N176-N179 PolarHBondContact OD1-N 2.78Å; N176-M180 PolarHBondContact ND2-O 3.19Å; N176-L183 HydrophobicContact CB-CB 4.49Å; N176-L183 HydrophobicContact CB-CD1 4.13Å; N176-E185 WeakPolarHBondContact CB-OE1 3.33Å
177	S	94.6	Very high	96.2	Very high	92 Å²	92	22.4 Å²	22.4	64%	0.643	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.2	179.2	63.1	0	0	0	0	115.1	N226	S177-N226 PolarHBondContact OG-ND2 2.77Å
178	H	94.2	Very high	96.1	Very high	62 Å²	62	25 Å²	25	29%	0.287	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	1.2	-175.4	-64.2	-77.7	0	0	0	113.8	N176 M180 L183 N226 P271	N176-H178 PolarHBondContact O-N 2.62Å; N176-H178 WeakPolarHBondContact OD1-CA 3.29Å; N176-H178 WeakPolarHBondContact OD1-CB 3.12Å; N176-H178 PolarHBondContact OD1-N 2.75Å; H178-M180 HydrophobicContact CB-CB 4.38Å; H178-M180 PolarHBondContact O-N 3.33Å; H178-L183 HydrophobicContact CB-CD1 3.89Å; H178-N226 PolarHBondContact NE2-ND2 2.83Å; H178-P271 HydrophobicContact CB-CG 4.01Å
179	N	93.1	Very high	96.2	Very high	102 Å²	102	28.7 Å²	28.7	55%	0.545	15%	0.152	S	C	.	.	S	Bend	trans	53.7	52.4	176.4	-168.1	49.4	0	0	0	113.6	N176 K482	N176-N179 PolarHBondContact OD1-N 2.78Å; N179-K482 WeakPolarHBondContact OD1-CE 3.45Å; N179-K482 WeakPolarHBondContact OD1-CG 3.31Å
180	M	94.4	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	155.2	-162.3	155.7	176.4	178.2	0	0	108.8	N176 H178 L183 P271 N485 N486	N176-M180 PolarHBondContact ND2-O 3.19Å; H178-M180 HydrophobicContact CB-CB 4.38Å; H178-M180 PolarHBondContact O-N 3.33Å; M180-L183 HydrophobicContact CE-CD2 3.79Å; M180-L183 HydrophobicContact CE-CG 4.02Å; M180-L183 HydrophobicContact CG-CD1 4.49Å; M180-L183 HydrophobicContact CG-CG 4.37Å; M180-L183 HydrophobicContact SD-CD1 4.16Å; M180-L183 HydrophobicContact SD-CD2 4.4Å; M180-L183 HydrophobicContact SD-CG 4.22Å; M180-P271 HydrophobicContact SD-CG 4.01Å; M180-N485 HydrophobicContact CE-CB 3.86Å; M180-N485 WeakPolarHBondContact CE-OD1 3.12Å; M180-N486 HydrophobicContact SD-CB 4.47Å; M180-N486 PolarHBondContact SD-ND2 2.97Å
181	L	95.1	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	157.5	170.6	-49.4	177.2	0	0	0	111.2	F173 Y174 Y478 P479 K482 L483 Y484 N485 H496	F173-L181 HydrophobicContact CZ-CB 4.42Å; F173-L181 WeakPolarHBondContact O-CA 3.09Å; Y174-L181 HydrophobicContact CD2-CD2 3.66Å; Y174-L181 HydrophobicContact CE2-CD2 4.39Å; L181-Y478 HydrophobicContact CD2-CE2 4.5Å; L181-P479 HydrophobicContact CD1-CB 3.72Å; L181-P479 HydrophobicContact CD1-CG 4.34Å; L181-P479 HydrophobicContact CD2-CB 4.27Å; L181-P479 HydrophobicContact CG-CB 4.29Å; L181-K482 HydrophobicContact CD2-CB 4.18Å; L181-K482 HydrophobicContact CD2-CD 4.14Å; L181-K482 HydrophobicContact CG-CB 4.18Å; L181-L483 PolarHBondContact N-O 3.05Å; L181-Y484 HydrophobicContact CB-CD2 3.89Å; L181-Y484 HydrophobicContact CB-CG 4.41Å; L181-N485 PolarHBondContact O-N 3.3Å; L181-N485 VanDerWaalsContact O-N 3.1Å; L181-H496 HydrophobicContact CD1-CB 4.23Å
182	G	92.7	Very high	96.2	Very high	7 Å²	7	31.8 Å²	31.8	7%	0.072	17%	0.167	C	C	.	.	S	Bend	trans	95.3	-0.4	169.5	0	0	0	0	0	115.5	F173	F173-G182 PolarHBondContact O-N 3.34Å
183	L	95.9	Very high	96.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.174	C	C	.	.			trans	-79	162.7	171.5	-64.1	-177.4	0	0	0	111.3	G172 F173 N176 H178 M180 P271 N272	G172-L183 CarbonylContact C-O 3.53Å; F173-L183 WeakPolarHBondContact CA-O 3.32Å; F173-L183 PolarHBondContact N-O 3Å; N176-L183 HydrophobicContact CB-CB 4.49Å; N176-L183 HydrophobicContact CB-CD1 4.13Å; H178-L183 HydrophobicContact CB-CD1 3.89Å; M180-L183 HydrophobicContact CE-CD2 3.79Å; M180-L183 HydrophobicContact CE-CG 4.02Å; M180-L183 HydrophobicContact CG-CD1 4.49Å; M180-L183 HydrophobicContact CG-CG 4.37Å; M180-L183 HydrophobicContact SD-CD1 4.16Å; M180-L183 HydrophobicContact SD-CD2 4.4Å; M180-L183 HydrophobicContact SD-CG 4.22Å; L183-P271 HydrophobicContact CD1-CG 3.73Å; L183-P271 HydrophobicContact CD2-CG 4.03Å; L183-N272 VanDerWaalsContact CD2-OD1 3.25Å; L183-N272 WeakPolarHBondContact CD2-OD1 3.42Å
184	V	96.7	Very high	96.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.042	17%	0.173	C	C	.	.			trans	-139.2	131.9	169	57.6	0	0	0	0	108.8	Y187 I223 S224 H227	V184-Y187 HydrophobicContact CB-CE1 4.3Å; V184-Y187 HydrophobicContact CG1-CE1 3.95Å; V184-Y187 HydrophobicContact CG1-CE2 4.25Å; V184-Y187 HydrophobicContact CG2-CD1 3.74Å; V184-Y187 HydrophobicContact CG2-CD2 4.32Å; V184-Y187 HydrophobicContact CG2-CE1 3.72Å; V184-Y187 HydrophobicContact CG2-CE2 4.29Å; V184-Y187 HydrophobicContact CG2-CG 4.06Å; V184-I223 HydrophobicContact CG1-CB 4.17Å; V184-I223 HydrophobicContact CG1-CG2 3.87Å; V184-S224 WeakPolarHBondContact O-CB 3.37Å; V184-S224 PolarHBondContact O-N 2.82Å; V184-H227 PolarHBondContact O-CD2 3.14Å
185	E	97	Very high	96.2	Very high	33 Å²	33	32.7 Å²	32.7	15%	0.154	18%	0.181	C	C	.	.	S	Bend	trans	-113	-25.7	179.6	-66.9	-176.9	168.5	0	0	112	K171 N176 N226 H227 K228	K171-E185 HydrophobicContact CG-CB 4.46Å; K171-E185 PolarHBondContact O-N 3.22Å; N176-E185 WeakPolarHBondContact CB-OE1 3.33Å; E185-N226 HydrophobicContact CG-CB 4.49Å; E185-H227 WeakPolarHBondContact O-CA 3.48Å; E185-H227 PolarHBondContact O-CD2 2.89Å; E185-H227 VanDerWaalsContact O-CG 3.27Å; E185-H227 PolarHBondContact O-NE2 3.45Å; E185-K228 PolarHBondContact O-N 3.43Å; E185-K228 VanDerWaalsContact O-N 3.14Å
186	D	97.4	Very high	96.3	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	118.5	170.8	-170.5	-13.6	0	0	0	112.3	K171 K188 E189 K228	K171-D186 HydrophobicContact CB-CB 4.01Å; K171-D186 HydrophobicContact CD-CB 4.02Å; K171-D186 PolarHBondContact N-O 3.42Å; K171-D186 PolarHBondContact O-N 3.23Å; D186-K188 VanDerWaalsContact C-N 3.29Å; D186-K188 PolarHBondContact O-N 3.43Å; D186-K188 PolarHBondContact OD1-N 2.88Å; D186-E189 HydrophobicContact CB-CB 4.19Å; D186-E189 WeakPolarHBondContact OD2-CG 3.47Å; D186-K228 HydrophobicContact CB-CD 4.36Å; D186-K228 WeakPolarHBondContact OD1-CE 3.25Å; D186-K228 IonicContact OD1-NZ 3.75Å; D186-K228 PolarHBondContact OD1-NZ 3.12Å; D186-K228 VanDerWaalsContact OD2-CD 3.26Å; D186-K228 WeakPolarHBondContact OD2-CD 2.88Å; D186-K228 WeakPolarHBondContact OD2-CE 3.42Å; D186-K228 IonicContact OD2-NZ 2.67Å; D186-K228 PolarHBondContact OD2-NZ 3.45Å
187	Y	97.8	Very high	96.4	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-15.2	176.7	-68	-74.5	0	0	0	115.8	T170 V184 F218 N219 F220 I223 H227 W229 V289 W293	T170-Y187 WeakPolarHBondContact CG2-O 3.38Å; V184-Y187 HydrophobicContact CB-CE1 4.3Å; V184-Y187 HydrophobicContact CG1-CE1 3.95Å; V184-Y187 HydrophobicContact CG1-CE2 4.25Å; V184-Y187 HydrophobicContact CG2-CD1 3.74Å; V184-Y187 HydrophobicContact CG2-CD2 4.32Å; V184-Y187 HydrophobicContact CG2-CE1 3.72Å; V184-Y187 HydrophobicContact CG2-CE2 4.29Å; V184-Y187 HydrophobicContact CG2-CG 4.06Å; Y187-F218 AromaticContact CD1-CD1 3.97Å; Y187-F218 HydrophobicContact CD1-CD1 3.97Å; Y187-N219 WeakPolarHBondContact CE1-O 3.44Å; Y187-N219 PolarHBondContact OH-O 2.87Å; Y187-F220 HydrophobicContact CD1-CD1 4.36Å; Y187-F220 AromaticContact CD1-CE1 3.95Å; Y187-F220 HydrophobicContact CD1-CE1 3.95Å; Y187-F220 AromaticContact CE1-CD1 3.86Å; Y187-F220 HydrophobicContact CE1-CD1 3.86Å; Y187-F220 AromaticContact CE1-CE1 3.9Å; Y187-F220 HydrophobicContact CE1-CE1 3.9Å; Y187-F220 HydrophobicContact CE2-CD1 4.24Å; Y187-F220 HydrophobicContact CE2-CE1 4.48Å; Y187-F220 HydrophobicContact CG-CE1 4.25Å; Y187-F220 AromaticContact CZ-CD1 3.77Å; Y187-I223 HydrophobicContact CE2-CG2 3.68Å; Y187-I223 VanDerWaalsContact OH-CG2 3.29Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.31Å; Y187-H227 AromaticContact CD2-NE2 3.38Å; Y187-H227 WeakPolarHBondContact CD2-NE2 3.36Å; Y187-H227 AromaticContact CE2-NE2 3.62Å; Y187-W229 HydrophobicContact CD2-CE3 4.22Å; Y187-W229 AromaticContact CD2-CH2 3.32Å; Y187-W229 HydrophobicContact CD2-CH2 3.32Å; Y187-W229 AromaticContact CD2-CZ2 3.89Å; Y187-W229 HydrophobicContact CD2-CZ2 3.89Å; Y187-W229 AromaticContact CD2-CZ3 3.51Å; Y187-W229 HydrophobicContact CD2-CZ3 3.51Å; Y187-W229 HydrophobicContact CE2-CE3 4.09Å; Y187-W229 AromaticContact CE2-CH2 3.65Å; Y187-W229 HydrophobicContact CE2-CH2 3.65Å; Y187-W229 AromaticContact CE2-CZ3 3.36Å; Y187-W229 HydrophobicContact CE2-CZ3 3.36Å; Y187-W229 HydrophobicContact CG-CH2 4.35Å; Y187-V289 HydrophobicContact CG-CG1 4.48Å; Y187-V289 HydrophobicContact CG-CG2 4.3Å; Y187-W293 PolarHBondContact O-NE1 3.16Å
188	K	97.2	Very high	96.6	Very high	58 Å²	58	36 Å²	36	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	0	-177	-64.5	-172.6	172.8	-168.2	0	113.5	D186 N288 V289 F292	D186-K188 VanDerWaalsContact C-N 3.29Å; D186-K188 PolarHBondContact O-N 3.43Å; D186-K188 PolarHBondContact OD1-N 2.88Å; K188-N288 VanDerWaalsContact CE-C 3.44Å; K188-N288 WeakPolarHBondContact CE-O 3.21Å; K188-N288 PolarHBondContact NZ-O 3.19Å; K188-V289 HydrophobicContact CG-CG2 4.1Å; K188-F292 HydrophobicContact CB-CD1 4.29Å; K188-F292 HydrophobicContact CB-CE1 4.36Å; K188-F292 HydrophobicContact CB-CG 4.5Å; K188-F292 HydrophobicContact CD-CB 4.28Å; K188-F292 HydrophobicContact CD-CG 4.29Å; K188-F292 HydrophobicContact CG-CB 4.41Å; K188-F292 HydrophobicContact CG-CD1 4.24Å; K188-F292 HydrophobicContact CG-CG 4.22Å; K188-F292 WeakPolarHBondContact O-CZ 3.31Å
189	E	97.6	Very high	96.8	Very high	87 Å²	87	34.8 Å²	34.8	41%	0.407	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.2	172.5	-70.1	-176.7	-171.2	0	0	109	T170 K171 D186	T170-E189 CarbonylContact C-O 3.52Å; T170-E189 VanDerWaalsContact CA-O 3.32Å; T170-E189 WeakPolarHBondContact CA-O 3.47Å; K171-E189 HydrophobicContact CB-CB 4.05Å; K171-E189 HydrophobicContact CD-CB 4.12Å; K171-E189 WeakPolarHBondContact CD-OE2 3.43Å; K171-E189 PolarHBondContact N-O 3.4Å; K171-E189 IonicContact NZ-OE2 2.7Å; K171-E189 PolarHBondContact NZ-OE2 3.35Å; D186-E189 HydrophobicContact CB-CB 4.19Å; D186-E189 WeakPolarHBondContact OD2-CG 3.47Å
190	L	98.4	Very high	97.1	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.073	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	148.8	170.1	-70.2	170.7	0	0	0	109.6	L145 I169 V194 T196 M197 F200 W293	L145-L190 HydrophobicContact CD1-CD1 4.15Å; I169-L190 HydrophobicContact CB-CD2 4.31Å; I169-L190 HydrophobicContact CD1-CD2 3.59Å; I169-L190 HydrophobicContact CG1-CD2 3.89Å; L190-V194 HydrophobicContact CB-CG1 3.74Å; L190-V194 HydrophobicContact CD1-CG1 4.37Å; L190-V194 HydrophobicContact CD2-CG1 3.9Å; L190-V194 HydrophobicContact CG-CG1 4.21Å; L190-T196 VanDerWaalsContact CD1-C 3.49Å; L190-T196 WeakPolarHBondContact CD1-O 3.01Å; L190-M197 HydrophobicContact CD1-CG 4.29Å; L190-M197 HydrophobicContact CD1-SD 3.61Å; L190-M197 HydrophobicContact CG-SD 3.83Å; L190-F200 HydrophobicContact CD1-CB 3.93Å; L190-F200 HydrophobicContact CD2-CD2 4.44Å; L190-W293 HydrophobicContact CD2-CH2 3.67Å; L190-W293 HydrophobicContact CD2-CZ3 4.45Å; L190-W293 HydrophobicContact CG-CH2 4.19Å
191	D	98	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-61.6	134.3	166.4	-168	-74	0	0	0	109.9	F132 I169 G172 F173 Y174 T175 A193 V194	F132-D191 HydrophobicContact CE1-CB 4.23Å; F132-D191 HydrophobicContact CZ-CB 3.84Å; I169-D191 PolarHBondContact O-N 2.89Å; G172-D191 PolarHBondContact N-OD2 3.2Å; F173-D191 PolarHBondContact N-OD2 3.38Å; Y174-D191 PolarHBondContact N-OD2 3.02Å; T175-D191 WeakPolarHBondContact CG2-OD1 3.39Å; T175-D191 PolarHBondContact N-OD2 3.24Å; T175-D191 VanDerWaalsContact OG1-CG 3.29Å; T175-D191 PolarHBondContact OG1-OD1 3.04Å; T175-D191 PolarHBondContact OG1-OD2 3.47Å; T175-D191 VanDerWaalsContact OG1-OD2 3.09Å; D191-A193 PolarHBondContact O-N 3.49Å; D191-A193 VanDerWaalsContact O-N 3.1Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å; D191-A193 PolarHBondContact OD1-N 3.01Å; D191-A193 VanDerWaalsContact OD1-N 3.08Å; D191-V194 VanDerWaalsContact O-CG1 3.22Å; D191-V194 WeakPolarHBondContact O-CG1 3.5Å; D191-V194 PolarHBondContact O-N 2.91Å
192	E	97	Very high	97.5	Very high	111 Å²	111	37.9 Å²	37.9	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.3	-173	-61.4	85.3	170.5	0	0	112.4	K171 T175 V194	K171-E192 VanDerWaalsContact CE-OE1 3.24Å; K171-E192 WeakPolarHBondContact CE-OE1 3.18Å; K171-E192 IonicContact NZ-OE1 3.89Å; T175-E192 VanDerWaalsContact CB-OE2 3.32Å; T175-E192 WeakPolarHBondContact CB-OE2 3.33Å; T175-E192 HydrophobicContact CG2-CB 4.26Å; T175-E192 PolarHBondContact OG1-OE2 2.99Å; E192-V194 VanDerWaalsContact C-N 3.3Å; E192-V194 PolarHBondContact O-N 3.49Å
193	A	97.1	Very high	97.7	Very high	16 Å²	16	37.6 Å²	37.6	13%	0.132	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.5	176.2	0	0	0	0	0	113.3	F132 I142 Y174 T175 D191	F132-A193 HydrophobicContact CD1-CB 4.35Å; F132-A193 HydrophobicContact CE1-CB 4.07Å; I142-A193 HydrophobicContact CG2-CB 4.13Å; Y174-A193 HydrophobicContact CD1-CB 3.74Å; Y174-A193 HydrophobicContact CE1-CB 4.3Å; T175-A193 HydrophobicContact CG2-CB 4.02Å; D191-A193 PolarHBondContact O-N 3.49Å; D191-A193 VanDerWaalsContact O-N 3.1Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å; D191-A193 PolarHBondContact OD1-N 3.01Å; D191-A193 VanDerWaalsContact OD1-N 3.08Å
194	V	97.7	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-23.7	-178.1	94.6	0	0	0	0	112.6	V131 F132 L145 I169 L190 D191 E192	V131-V194 HydrophobicContact CB-CG2 4.05Å; V131-V194 HydrophobicContact CG1-CG2 3.63Å; F132-V194 HydrophobicContact CE1-CB 3.74Å; F132-V194 HydrophobicContact CE1-CG2 3.93Å; F132-V194 HydrophobicContact CZ-CB 4.03Å; F132-V194 HydrophobicContact CZ-CG2 4.07Å; L145-V194 HydrophobicContact CD1-CG1 4.2Å; L145-V194 HydrophobicContact CG-CG1 4.48Å; L145-V194 HydrophobicContact CG-CG2 4.12Å; L145-V194 WeakPolarHBondContact CG-O 3.25Å; L145-V194 PolarHBondContact N-O 2.04Å; I169-V194 HydrophobicContact CB-CG2 4.23Å; I169-V194 HydrophobicContact CG2-CG2 4.09Å; L190-V194 HydrophobicContact CB-CG1 3.74Å; L190-V194 HydrophobicContact CD1-CG1 4.37Å; L190-V194 HydrophobicContact CD2-CG1 3.9Å; L190-V194 HydrophobicContact CG-CG1 4.21Å; D191-V194 VanDerWaalsContact O-CG1 3.22Å; D191-V194 WeakPolarHBondContact O-CG1 3.5Å; D191-V194 PolarHBondContact O-N 2.91Å; E192-V194 VanDerWaalsContact C-N 3.3Å; E192-V194 PolarHBondContact O-N 3.49Å
195	G	97.4	Very high	98	Very high	24 Å²	24	45.3 Å²	45.3	25%	0.247	23%	0.228	C	C	.	.			trans	120.5	-165.1	-178.6	0	0	0	0	0	114
196	T	98.1	Very high	98	Very high	76 Å²	76	50 Å²	50	47%	0.466	24%	0.244	S	C	.	.			trans	-98.9	167.6	-176	71.1	0	0	0	0	112.7	L190 D198 D199 F200	L190-T196 VanDerWaalsContact CD1-C 3.49Å; L190-T196 WeakPolarHBondContact CD1-O 3.01Å; T196-D198 PolarHBondContact O-N 2.7Å; T196-D198 PolarHBondContact OG1-N 3.28Å; T196-D199 WeakPolarHBondContact CB-OD2 3.17Å; T196-D199 PolarHBondContact N-OD2 3.32Å; T196-D199 WeakPolarHBondContact O-CB 3.26Å; T196-D199 PolarHBondContact O-N 3.39Å; T196-D199 PolarHBondContact OG1-N 2.87Å; T196-D199 PolarHBondContact OG1-OD2 3.17Å; T196-F200 PolarHBondContact O-N 2.74Å
197	M	98	Very high	98.1	Very high	42 Å²	42	49.7 Å²	49.7	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-25.1	172.4	-76.1	-57.1	-55.5	0	0	113.3	L190 F200 R201 F292 W293 E296	L190-M197 HydrophobicContact CD1-CG 4.29Å; L190-M197 HydrophobicContact CD1-SD 3.61Å; L190-M197 HydrophobicContact CG-SD 3.83Å; M197-F200 HydrophobicContact CE-CD1 4.02Å; M197-F200 PolarHBondContact O-N 2.96Å; M197-R201 WeakPolarHBondContact O-CG 3.45Å; M197-R201 PolarHBondContact O-N 3.18Å; M197-R201 VanDerWaalsContact O-N 3.09Å; M197-F292 HydrophobicContact CE-CZ 4.33Å; M197-W293 HydrophobicContact CE-CZ3 4.36Å; M197-W293 HydrophobicContact SD-CH2 4.26Å; M197-W293 HydrophobicContact SD-CZ3 4.45Å; M197-E296 HydrophobicContact CE-CG 3.8Å
198	D	98.3	Very high	98.1	Very high	106 Å²	106	52.3 Å²	52.3	57%	0.567	26%	0.255	S	S	*	.	H	α-helix	trans	-73.9	-39.3	174.4	-72.3	-21	0	0	0	111.2	T196 F200 R201 V202	T196-D198 PolarHBondContact O-N 2.7Å; T196-D198 PolarHBondContact OG1-N 3.28Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 3.04Å; D198-R201 PolarHBondContact O-N 3.05Å; D198-R201 IonicContact OD1-NH1 2.82Å; D198-R201 PolarHBondContact OD1-NH1 3.05Å; D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 3.36Å
199	D	98.5	Very high	98.2	Very high	35 Å²	35	58.4 Å²	58.4	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-43	170.5	-58.3	-56.6	0	0	0	110.6	L145 N146 T196 R201 V202 F203	L145-D199 HydrophobicContact CB-CB 4.3Å; L145-D199 HydrophobicContact CD1-CB 4.44Å; N146-D199 PolarHBondContact ND2-OD1 2.94Å; T196-D199 WeakPolarHBondContact CB-OD2 3.17Å; T196-D199 PolarHBondContact N-OD2 3.32Å; T196-D199 WeakPolarHBondContact O-CB 3.26Å; T196-D199 PolarHBondContact O-N 3.39Å; T196-D199 PolarHBondContact OG1-N 2.87Å; T196-D199 PolarHBondContact OG1-OD2 3.17Å; D199-R201 PolarHBondContact O-N 3.06Å; D199-V202 PolarHBondContact O-N 3.09Å; D199-F203 VanDerWaalsContact O-CB 3.3Å; D199-F203 WeakPolarHBondContact O-CB 3.41Å; D199-F203 PolarHBondContact O-N 3.08Å
200	F	98.7	Very high	98.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-44.3	176.2	-176.9	-94.9	0	0	0	113.1	L145 I169 L190 T196 M197 D198 F203 L204 L216 W293 E296 I298	L145-F200 HydrophobicContact CD1-CB 3.87Å; L145-F200 HydrophobicContact CD1-CD2 4.15Å; I169-F200 HydrophobicContact CD1-CD2 4.14Å; I169-F200 HydrophobicContact CD1-CE2 3.85Å; L190-F200 HydrophobicContact CD1-CB 3.93Å; L190-F200 HydrophobicContact CD2-CD2 4.44Å; T196-F200 PolarHBondContact O-N 2.74Å; M197-F200 HydrophobicContact CE-CD1 4.02Å; M197-F200 PolarHBondContact O-N 2.96Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 3.04Å; F200-F203 HydrophobicContact CD2-CD1 4.23Å; F200-F203 HydrophobicContact CE2-CD1 4.36Å; F200-F203 HydrophobicContact CE2-CE1 4.41Å; F200-F203 WeakPolarHBondContact O-CB 3.41Å; F200-F203 PolarHBondContact O-N 3.13Å; F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 WeakPolarHBondContact O-CB 3.38Å; F200-L204 PolarHBondContact O-N 3.49Å; F200-L216 HydrophobicContact CE2-CD1 4.42Å; F200-L216 HydrophobicContact CE2-CD2 4.3Å; F200-L216 HydrophobicContact CZ-CD1 4.25Å; F200-W293 HydrophobicContact CD1-CZ3 4.19Å; F200-W293 HydrophobicContact CD2-CZ3 4.25Å; F200-W293 HydrophobicContact CE1-CE3 4.09Å; F200-W293 AromaticContact CE1-CZ3 3.78Å; F200-W293 HydrophobicContact CE1-CZ3 3.78Å; F200-W293 HydrophobicContact CE2-CE3 4.49Å; F200-W293 AromaticContact CE2-CZ3 3.84Å; F200-W293 HydrophobicContact CE2-CZ3 3.84Å; F200-W293 HydrophobicContact CG-CZ3 4.42Å; F200-W293 AromaticContact CZ-CE3 3.87Å; F200-W293 HydrophobicContact CZ-CE3 3.87Å; F200-W293 AromaticContact CZ-CZ3 3.59Å; F200-W293 HydrophobicContact CZ-CZ3 3.59Å; F200-E296 HydrophobicContact CE1-CB 4.1Å; F200-I298 HydrophobicContact CE1-CG2 4.43Å; F200-I298 HydrophobicContact CZ-CG2 3.84Å
201	R	98.7	Very high	98.1	Very high	108 Å²	108	59.9 Å²	59.9	41%	0.408	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-37.9	177.6	-70.6	169.7	-170.7	133	2.6	112	M197 D198 D199 K205 E296	M197-R201 WeakPolarHBondContact O-CG 3.45Å; M197-R201 PolarHBondContact O-N 3.18Å; M197-R201 VanDerWaalsContact O-N 3.09Å; D198-R201 PolarHBondContact O-N 3.05Å; D198-R201 IonicContact OD1-NH1 2.82Å; D198-R201 PolarHBondContact OD1-NH1 3.05Å; D199-R201 PolarHBondContact O-N 3.06Å; R201-K205 VanDerWaalsContact O-CB 3.3Å; R201-K205 WeakPolarHBondContact O-CB 3.42Å; R201-K205 PolarHBondContact O-N 2.74Å; R201-E296 IonicContact CZ-OE1 2.68Å; R201-E296 IonicContact CZ-OE2 3.72Å; R201-E296 IonicContact NE-OE1 2.74Å; R201-E296 IonicContact NE-OE2 3.44Å; R201-E296 PolarHBondContact NE-OE2 3.09Å; R201-E296 IonicContact NH2-OE1 2.81Å; R201-E296 PolarHBondContact NH2-OE1 3.48Å; R201-E296 IonicContact NH2-OE2 3.53Å; R201-E296 PolarHBondContact NH2-OE2 2.99Å
202	V	98.5	Very high	98.2	Very high	60 Å²	60	59.9 Å²	59.9	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-48.8	174.2	172	0	0	0	0	110.4	D198 D199 K205 R206	D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 3.36Å; D199-V202 PolarHBondContact O-N 3.09Å; V202-K205 PolarHBondContact O-N 3.19Å; V202-R206 HydrophobicContact CG1-CG 4.49Å; V202-R206 WeakPolarHBondContact O-CG 3.04Å; V202-R206 PolarHBondContact O-N 3.13Å
203	F	98.7	Very high	98.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-51.6	-56.5	174.9	157.1	-104.5	0	0	0	111.3	L145 L148 T149 L166 D199 F200 K205 R206 F207 V214	L145-F203 HydrophobicContact CD2-CD1 4.11Å; L145-F203 HydrophobicContact CD2-CG 4.13Å; L148-F203 HydrophobicContact CD2-CD2 4.06Å; L148-F203 HydrophobicContact CD2-CE2 3.43Å; L148-F203 VanDerWaalsContact CD2-CE2 3.43Å; L148-F203 HydrophobicContact CD2-CZ 4Å; L148-F203 HydrophobicContact CG-CD2 4.25Å; L148-F203 HydrophobicContact CG-CE2 3.84Å; T149-F203 VanDerWaalsContact OG1-CA 3.28Å; T149-F203 WeakPolarHBondContact OG1-CA 3.48Å; T149-F203 VanDerWaalsContact OG1-CB 3.26Å; T149-F203 WeakPolarHBondContact OG1-CB 3.48Å; L166-F203 HydrophobicContact CD1-CE1 3.79Å; L166-F203 HydrophobicContact CD1-CZ 3.71Å; L166-F203 HydrophobicContact CD2-CZ 4.21Å; L166-F203 HydrophobicContact CG-CZ 4.39Å; D199-F203 VanDerWaalsContact O-CB 3.3Å; D199-F203 WeakPolarHBondContact O-CB 3.41Å; D199-F203 PolarHBondContact O-N 3.08Å; F200-F203 HydrophobicContact CD2-CD1 4.23Å; F200-F203 HydrophobicContact CE2-CD1 4.36Å; F200-F203 HydrophobicContact CE2-CE1 4.41Å; F200-F203 WeakPolarHBondContact O-CB 3.41Å; F200-F203 PolarHBondContact O-N 3.13Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 2.66Å; F203-R206 PolarHBondContact O-N 2.98Å; F203-R206 VanDerWaalsContact O-N 3.11Å; F203-F207 AromaticContact CD2-CD2 3.58Å; F203-F207 HydrophobicContact CD2-CD2 3.58Å; F203-F207 AromaticContact CD2-CE2 3.55Å; F203-F207 HydrophobicContact CD2-CE2 3.55Å; F203-F207 HydrophobicContact CD2-CG 4.22Å; F203-F207 HydrophobicContact CD2-CZ 4.14Å; F203-F207 AromaticContact CE2-CD1 3.81Å; F203-F207 HydrophobicContact CE2-CD1 3.81Å; F203-F207 AromaticContact CE2-CD2 3.44Å; F203-F207 HydrophobicContact CE2-CD2 3.44Å; F203-F207 VanDerWaalsContact CE2-CD2 3.44Å; F203-F207 AromaticContact CE2-CE1 3.66Å; F203-F207 HydrophobicContact CE2-CE1 3.66Å; F203-F207 AromaticContact CE2-CE2 3.29Å; F203-F207 HydrophobicContact CE2-CE2 3.29Å; F203-F207 AromaticContact CE2-CG 3.73Å; F203-F207 HydrophobicContact CE2-CG 3.73Å; F203-F207 AromaticContact CE2-CZ 3.41Å; F203-F207 HydrophobicContact CE2-CZ 3.41Å; F203-F207 VanDerWaalsContact CE2-CZ 3.41Å; F203-F207 HydrophobicContact CZ-CD1 4.05Å; F203-F207 HydrophobicContact CZ-CD2 4.3Å; F203-F207 HydrophobicContact CZ-CE1 4.13Å; F203-F207 HydrophobicContact CZ-CE2 4.39Å; F203-F207 HydrophobicContact CZ-CG 4.16Å; F203-F207 HydrophobicContact CZ-CZ 4.32Å; F203-F207 WeakPolarHBondContact O-CD2 3.01Å; F203-F207 PolarHBondContact O-N 3.48Å; F203-V214 HydrophobicContact CE1-CB 4.5Å; F203-V214 HydrophobicContact CE1-CG1 3.72Å; F203-V214 HydrophobicContact CE1-CG2 3.97Å; F203-V214 HydrophobicContact CZ-CG1 3.99Å; F203-V214 HydrophobicContact CZ-CG2 3.84Å
204	L	98.7	Very high	98.3	Very high	10 Å²	10	57 Å²	57	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-45.7	-177.5	-172.9	66.5	0	0	0	111.2	F200 R206 F207 H208 V214 E296	F200-L204 HydrophobicContact CE1-CD2 4.39Å; F200-L204 WeakPolarHBondContact O-CB 3.38Å; F200-L204 PolarHBondContact O-N 3.49Å; L204-R206 PolarHBondContact O-N 2.89Å; L204-F207 PolarHBondContact O-N 3.29Å; L204-H208 VanDerWaalsContact CD1-CE1 3.49Å; L204-H208 WeakPolarHBondContact CD1-CE1 3.28Å; L204-H208 WeakPolarHBondContact CD1-NE2 3.19Å; L204-H208 WeakPolarHBondContact O-CB 3.21Å; L204-H208 VanDerWaalsContact O-CG 3.28Å; L204-H208 PolarHBondContact O-N 2.89Å; L204-V214 HydrophobicContact CD1-CB 3.67Å; L204-V214 HydrophobicContact CD1-CG1 4.16Å; L204-V214 HydrophobicContact CD1-CG2 3.7Å; L204-E296 WeakPolarHBondContact CD2-O 3.29Å
205	K	98.6	Very high	98.4	Very high	161 Å²	161	57 Å²	57	70%	0.7	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-42	177.3	-176.9	178.2	180	178.5	0	112.3	R201 V202 F203 K209	R201-K205 VanDerWaalsContact O-CB 3.3Å; R201-K205 WeakPolarHBondContact O-CB 3.42Å; R201-K205 PolarHBondContact O-N 2.74Å; V202-K205 PolarHBondContact O-N 3.19Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 2.66Å; K205-K209 VanDerWaalsContact O-CB 3.29Å; K205-K209 WeakPolarHBondContact O-CB 2.98Å; K205-K209 PolarHBondContact O-N 2.93Å
206	R	98.6	Very high	98.5	Very high	132 Å²	132	56 Å²	56	50%	0.498	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-41.6	179.4	-68	-153.3	-162.2	159.3	-2.9	111.8	T149 V202 F203 L204 K209 K210	T149-R206 HydrophobicContact CG2-CB 4.04Å; T149-R206 VanDerWaalsContact CG2-CD 3.41Å; T149-R206 HydrophobicContact CG2-CG 4Å; V202-R206 HydrophobicContact CG1-CG 4.49Å; V202-R206 WeakPolarHBondContact O-CG 3.04Å; V202-R206 PolarHBondContact O-N 3.13Å; F203-R206 PolarHBondContact O-N 2.98Å; F203-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 PolarHBondContact O-N 2.89Å; R206-K209 PolarHBondContact O-N 2.88Å; R206-K210 WeakPolarHBondContact O-CG 3.38Å; R206-K210 PolarHBondContact O-N 2.61Å; R206-K210 VanDerWaalsContact O-N 3.16Å
207	F	98.7	Very high	98.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-49.9	175.6	-89.5	-123.1	0	0	0	111.2	L148 V152 I155 A164 F203 L204 K209 K210 G211 V212 V214	L148-F207 HydrophobicContact CD1-CZ 4.01Å; L148-F207 HydrophobicContact CG-CE2 4.42Å; L148-F207 HydrophobicContact CG-CZ 3.99Å; V152-F207 HydrophobicContact CB-CD2 4.03Å; V152-F207 HydrophobicContact CB-CE2 3.65Å; V152-F207 HydrophobicContact CB-CZ 4.18Å; V152-F207 HydrophobicContact CG2-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CD2 3.69Å; V152-F207 HydrophobicContact CG2-CE2 3.73Å; V152-F207 HydrophobicContact CG2-CG 4.05Å; V152-F207 HydrophobicContact CG2-CZ 4.15Å; I155-F207 HydrophobicContact CD1-CE1 4.06Å; I155-F207 HydrophobicContact CD1-CZ 3.75Å; A164-F207 HydrophobicContact CB-CD1 4.32Å; A164-F207 HydrophobicContact CB-CE1 3.92Å; F203-F207 AromaticContact CD2-CD2 3.58Å; F203-F207 HydrophobicContact CD2-CD2 3.58Å; F203-F207 AromaticContact CD2-CE2 3.55Å; F203-F207 HydrophobicContact CD2-CE2 3.55Å; F203-F207 HydrophobicContact CD2-CG 4.22Å; F203-F207 HydrophobicContact CD2-CZ 4.14Å; F203-F207 AromaticContact CE2-CD1 3.81Å; F203-F207 HydrophobicContact CE2-CD1 3.81Å; F203-F207 AromaticContact CE2-CD2 3.44Å; F203-F207 HydrophobicContact CE2-CD2 3.44Å; F203-F207 VanDerWaalsContact CE2-CD2 3.44Å; F203-F207 AromaticContact CE2-CE1 3.66Å; F203-F207 HydrophobicContact CE2-CE1 3.66Å; F203-F207 AromaticContact CE2-CE2 3.29Å; F203-F207 HydrophobicContact CE2-CE2 3.29Å; F203-F207 AromaticContact CE2-CG 3.73Å; F203-F207 HydrophobicContact CE2-CG 3.73Å; F203-F207 AromaticContact CE2-CZ 3.41Å; F203-F207 HydrophobicContact CE2-CZ 3.41Å; F203-F207 VanDerWaalsContact CE2-CZ 3.41Å; F203-F207 HydrophobicContact CZ-CD1 4.05Å; F203-F207 HydrophobicContact CZ-CD2 4.3Å; F203-F207 HydrophobicContact CZ-CE1 4.13Å; F203-F207 HydrophobicContact CZ-CE2 4.39Å; F203-F207 HydrophobicContact CZ-CG 4.16Å; F203-F207 HydrophobicContact CZ-CZ 4.32Å; F203-F207 WeakPolarHBondContact O-CD2 3.01Å; F203-F207 PolarHBondContact O-N 3.48Å; L204-F207 PolarHBondContact O-N 3.29Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.33Å; F207-K210 CarbonylContact O-C 3.57Å; F207-K210 PolarHBondContact O-N 3.21Å; F207-G211 PolarHBondContact O-N 2.97Å; F207-V212 CarbonylContact C-O 3.48Å; F207-V212 VanDerWaalsContact C-O 3.25Å; F207-V212 HydrophobicContact CB-CB 4.32Å; F207-V212 HydrophobicContact CD1-CB 3.96Å; F207-V212 HydrophobicContact CD1-CG1 3.61Å; F207-V212 HydrophobicContact CE1-CG1 4.09Å; F207-V212 HydrophobicContact CG-CB 4.45Å; F207-V212 PolarHBondContact O-N 3.32Å; F207-V214 HydrophobicContact CB-CG2 3.88Å; F207-V214 HydrophobicContact CD1-CG2 3.94Å; F207-V214 HydrophobicContact CG-CG2 4.19Å
208	H	98.5	Very high	98.5	Very high	59 Å²	59	50.6 Å²	50.6	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-40.2	176.3	-71.3	178.1	0	0	0	112.6	L204 K210 G211 V212 G297 D299	L204-H208 VanDerWaalsContact CD1-CE1 3.49Å; L204-H208 WeakPolarHBondContact CD1-CE1 3.28Å; L204-H208 WeakPolarHBondContact CD1-NE2 3.19Å; L204-H208 WeakPolarHBondContact O-CB 3.21Å; L204-H208 VanDerWaalsContact O-CG 3.28Å; L204-H208 PolarHBondContact O-N 2.89Å; H208-K210 PolarHBondContact O-N 3.22Å; H208-G211 PolarHBondContact O-N 2.87Å; H208-V212 PolarHBondContact CD2-O 3.25Å; H208-G297 PolarHBondContact CE1-O 2.98Å; H208-D299 IonicContact CD2-OD2 3.68Å; H208-D299 IonicContact CE1-OD2 2.63Å; H208-D299 IonicContact NE2-OD1 3.67Å; H208-D299 IonicContact NE2-OD2 3.15Å; H208-D299 PolarHBondContact NE2-OD2 3.24Å
209	K	98.2	Very high	98.3	Very high	186 Å²	186	46.1 Å²	46.1	81%	0.809	22%	0.215	S	C	*	.	H	α-helix	trans	-60.7	-32.5	176.1	-175.6	179.2	179.4	-176.7	0	112.4	K205 R206 F207 G211	K205-K209 VanDerWaalsContact O-CB 3.29Å; K205-K209 WeakPolarHBondContact O-CB 2.98Å; K205-K209 PolarHBondContact O-N 2.93Å; R206-K209 PolarHBondContact O-N 2.88Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.33Å; K209-G211 VanDerWaalsContact C-N 3.3Å
210	K	97.9	Very high	98.2	Very high	89 Å²	89	44.5 Å²	44.5	39%	0.387	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.8	175.9	-66.2	-75.6	-174.6	161.2	0	113.2	V152 D153 R206 F207 H208 V212	V152-K210 HydrophobicContact CG1-CG 4.09Å; V152-K210 HydrophobicContact CG2-CB 3.93Å; V152-K210 HydrophobicContact CG2-CG 3.91Å; D153-K210 VanDerWaalsContact CG-NZ 3.3Å; D153-K210 VanDerWaalsContact OD1-CE 3.22Å; D153-K210 WeakPolarHBondContact OD1-CE 2.85Å; D153-K210 IonicContact OD1-NZ 3.89Å; D153-K210 PolarHBondContact OD1-NZ 3.08Å; D153-K210 IonicContact OD2-NZ 3.63Å; D153-K210 PolarHBondContact OD2-NZ 2.89Å; D153-K210 VanDerWaalsContact OD2-NZ 3.15Å; R206-K210 WeakPolarHBondContact O-CG 3.38Å; R206-K210 PolarHBondContact O-N 2.61Å; R206-K210 VanDerWaalsContact O-N 3.16Å; F207-K210 CarbonylContact O-C 3.57Å; F207-K210 PolarHBondContact O-N 3.21Å; H208-K210 PolarHBondContact O-N 3.22Å; K210-V212 HydrophobicContact CB-CG2 4.44Å
211	G	97.2	Very high	98	Very high	43 Å²	43	44.5 Å²	44.5	44%	0.443	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	28.4	-178.2	0	0	0	0	0	113.4	F207 H208 K209	F207-G211 PolarHBondContact O-N 2.97Å; H208-G211 PolarHBondContact O-N 2.87Å; K209-G211 VanDerWaalsContact C-N 3.3Å
212	V	98.5	Very high	97.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.			trans	-103.3	122.1	173.1	-175.3	0	0	0	0	108.6	V152 K156 G162 A164 F207 H208 K210	V152-V212 HydrophobicContact CG2-CG2 4.41Å; K156-V212 HydrophobicContact CB-CG2 4.09Å; K156-V212 HydrophobicContact CD-CG2 3.96Å; K156-V212 HydrophobicContact CG-CG2 4.42Å; G162-V212 WeakPolarHBondContact O-CA 3.45Å; A164-V212 HydrophobicContact CB-CG1 4.16Å; F207-V212 CarbonylContact C-O 3.48Å; F207-V212 VanDerWaalsContact C-O 3.25Å; F207-V212 HydrophobicContact CB-CB 4.32Å; F207-V212 HydrophobicContact CD1-CB 3.96Å; F207-V212 HydrophobicContact CD1-CG1 3.61Å; F207-V212 HydrophobicContact CE1-CG1 4.09Å; F207-V212 HydrophobicContact CG-CB 4.45Å; F207-V212 PolarHBondContact O-N 3.32Å; H208-V212 PolarHBondContact CD2-O 3.25Å; K210-V212 HydrophobicContact CB-CG2 4.44Å
213	K	98.7	Very high	97.7	Very high	67 Å²	67	36.5 Å²	36.5	29%	0.291	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.5	175.4	-58.4	-71.1	176.8	-177.7	0	111.1	F120 G162 Y163 A164 I215 D299	F120-K213 HydrophobicContact CB-CG 4.38Å; F120-K213 HydrophobicContact CD1-CG 4.11Å; F120-K213 HydrophobicContact CD2-CB 4.02Å; F120-K213 HydrophobicContact CD2-CG 3.81Å; F120-K213 HydrophobicContact CE1-CG 4.29Å; F120-K213 HydrophobicContact CE2-CB 3.8Å; F120-K213 HydrophobicContact CE2-CG 4.05Å; F120-K213 HydrophobicContact CG-CG 3.85Å; F120-K213 HydrophobicContact CZ-CB 4.06Å; F120-K213 HydrophobicContact CZ-CG 4.27Å; G162-K213 PolarHBondContact O-N 2.61Å; Y163-K213 CarbonylContact C-O 3.53Å; Y163-K213 VanDerWaalsContact CA-O 3.25Å; Y163-K213 WeakPolarHBondContact CA-O 3.45Å; A164-K213 PolarHBondContact N-O 2.86Å; K213-I215 HydrophobicContact CB-CD1 4.24Å; K213-D299 WeakPolarHBondContact CA-OD2 3.42Å; K213-D299 HydrophobicContact CB-CB 3.89Å; K213-D299 HydrophobicContact CD-CB 3.95Å; K213-D299 WeakPolarHBondContact CD-OD1 3.27Å; K213-D299 WeakPolarHBondContact CD-OD2 3.37Å; K213-D299 HydrophobicContact CG-CB 4.48Å; K213-D299 IonicContact NZ-OD1 2.67Å; K213-D299 PolarHBondContact NZ-OD1 2.72Å; K213-D299 VanDerWaalsContact NZ-OD1 3.14Å
214	V	98.8	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.9	-175.9	176.4	0	0	0	0	110.8	L166 F203 L204 F207 L216 D299	L166-V214 HydrophobicContact CD1-CG1 4.36Å; L166-V214 HydrophobicContact CG-CG1 4.47Å; F203-V214 HydrophobicContact CE1-CB 4.5Å; F203-V214 HydrophobicContact CE1-CG1 3.72Å; F203-V214 HydrophobicContact CE1-CG2 3.97Å; F203-V214 HydrophobicContact CZ-CG1 3.99Å; F203-V214 HydrophobicContact CZ-CG2 3.84Å; L204-V214 HydrophobicContact CD1-CB 3.67Å; L204-V214 HydrophobicContact CD1-CG1 4.16Å; L204-V214 HydrophobicContact CD1-CG2 3.7Å; F207-V214 HydrophobicContact CB-CG2 3.88Å; F207-V214 HydrophobicContact CD1-CG2 3.94Å; F207-V214 HydrophobicContact CG-CG2 4.19Å; V214-L216 HydrophobicContact CG1-CD2 4.26Å; V214-D299 PolarHBondContact N-OD2 3.26Å; V214-D299 PolarHBondContact O-N 2.97Å
215	I	98.8	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.1	-179.5	-63.8	56.4	0	0	0	107.2	F120 Y163 A164 I165 L166 K213 G300 L302 L361	F120-I215 HydrophobicContact CE2-CD1 4.02Å; F120-I215 HydrophobicContact CZ-CD1 4.11Å; Y163-I215 HydrophobicContact CD2-CD1 3.91Å; Y163-I215 HydrophobicContact CD2-CG1 4.4Å; Y163-I215 HydrophobicContact CG-CD1 4.3Å; A164-I215 PolarHBondContact O-N 2.82Å; I165-I215 HydrophobicContact CB-CB 4.46Å; I165-I215 HydrophobicContact CG1-CB 4.1Å; I165-I215 HydrophobicContact CG1-CG1 4.49Å; I165-I215 HydrophobicContact CG1-CG2 4.24Å; I165-I215 HydrophobicContact CG2-CG2 4.24Å; L166-I215 PolarHBondContact N-O 3.06Å; K213-I215 HydrophobicContact CB-CD1 4.24Å; I215-G300 WeakPolarHBondContact CA-O 3.46Å; I215-L302 HydrophobicContact CG2-CB 4.23Å; I215-L361 HydrophobicContact CG1-CD2 3.86Å
216	L	98.8	Very high	97.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.7	176.5	-60.9	-171	0	0	0	111.5	L166 I169 F200 V214 F218 W293 I298 G300 I301 L302	L166-L216 HydrophobicContact CB-CD2 4.14Å; L166-L216 HydrophobicContact CD1-CD2 3.84Å; L166-L216 HydrophobicContact CG-CD2 4.19Å; I169-L216 HydrophobicContact CD1-CD1 4.33Å; I169-L216 HydrophobicContact CD1-CD2 3.8Å; F200-L216 HydrophobicContact CE2-CD1 4.42Å; F200-L216 HydrophobicContact CE2-CD2 4.3Å; F200-L216 HydrophobicContact CZ-CD1 4.25Å; V214-L216 HydrophobicContact CG1-CD2 4.26Å; L216-F218 HydrophobicContact CB-CE2 3.86Å; L216-F218 HydrophobicContact CB-CZ 3.96Å; L216-F218 HydrophobicContact CD1-CZ 4.03Å; L216-W293 HydrophobicContact CD1-CB 4.43Å; L216-W293 HydrophobicContact CD1-CD2 3.6Å; L216-W293 HydrophobicContact CD1-CE3 3.42Å; L216-W293 VanDerWaalsContact CD1-CE3 3.42Å; L216-W293 HydrophobicContact CD1-CG 4.08Å; L216-W293 HydrophobicContact CD1-CH2 4.46Å; L216-W293 HydrophobicContact CD1-CZ3 3.89Å; L216-I298 HydrophobicContact CB-CD1 4.42Å; L216-I298 HydrophobicContact CD1-CD1 4.25Å; L216-I298 HydrophobicContact CD1-CG2 3.8Å; L216-I298 HydrophobicContact CG-CD1 4.23Å; L216-I298 HydrophobicContact CG-CG2 3.91Å; L216-G300 PolarHBondContact N-O 2.63Å; L216-G300 VanDerWaalsContact N-O 3.15Å; L216-I301 CarbonylContact O-C 3.53Å; L216-I301 VanDerWaalsContact O-CA 3.3Å; L216-I301 WeakPolarHBondContact O-CA 3.31Å; L216-L302 PolarHBondContact O-N 3.08Å
217	T	98.6	Very high	97.3	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.6	174.2	-60.1	0	0	0	0	110.8	L166 P168 L302 D304	L166-T217 WeakPolarHBondContact O-CB 3.41Å; L166-T217 PolarHBondContact O-N 2.84Å; L166-T217 VanDerWaalsContact O-N 3.1Å; L166-T217 PolarHBondContact O-OG1 3.36Å; P168-T217 HydrophobicContact CG-CG2 4.2Å; T217-L302 CarbonylContact C-O 3.57Å; T217-L302 WeakPolarHBondContact CA-O 3.48Å; T217-L302 HydrophobicContact CG2-CD2 3.66Å; T217-D304 HydrophobicContact CG2-CB 3.66Å
218	F	98	Very high	97.1	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.6	171.7	-63.6	-67.9	0	0	0	110.7	T170 Y187 L216 F220 V289 W293 I301 L302 D304	T170-F218 HydrophobicContact CG2-CD1 4.34Å; T170-F218 HydrophobicContact CG2-CE1 3.8Å; Y187-F218 AromaticContact CD1-CD1 3.97Å; Y187-F218 HydrophobicContact CD1-CD1 3.97Å; L216-F218 HydrophobicContact CB-CE2 3.86Å; L216-F218 HydrophobicContact CB-CZ 3.96Å; L216-F218 HydrophobicContact CD1-CZ 4.03Å; F218-F220 HydrophobicContact CB-CD1 4.46Å; F218-F220 HydrophobicContact CB-CD2 4.13Å; F218-F220 HydrophobicContact CB-CE1 3.99Å; F218-F220 HydrophobicContact CB-CE2 3.62Å; F218-F220 HydrophobicContact CB-CZ 3.54Å; F218-F220 HydrophobicContact CD1-CZ 4.31Å; F218-F220 HydrophobicContact CD2-CE2 4.35Å; F218-F220 HydrophobicContact CD2-CZ 4.03Å; F218-F220 HydrophobicContact CG-CE1 4.27Å; F218-F220 HydrophobicContact CG-CE2 4.16Å; F218-F220 AromaticContact CG-CZ 3.7Å; F218-F220 HydrophobicContact CG-CZ 3.7Å; F218-V289 HydrophobicContact CE1-CG1 4.29Å; F218-V289 HydrophobicContact CZ-CG1 4.41Å; F218-W293 AromaticContact CE1-CD1 3.94Å; F218-W293 AromaticContact CE1-NE1 3.67Å; F218-W293 HydrophobicContact CE2-CG 4.49Å; F218-W293 AromaticContact CZ-CD1 3.28Å; F218-W293 HydrophobicContact CZ-CD2 4.25Å; F218-W293 AromaticContact CZ-CG 3.8Å; F218-W293 HydrophobicContact CZ-CG 3.8Å; F218-W293 AromaticContact CZ-NE1 3.43Å; F218-I301 HydrophobicContact CD2-CD1 4.11Å; F218-I301 HydrophobicContact CD2-CG1 4.13Å; F218-I301 HydrophobicContact CD2-CG2 3.7Å; F218-I301 HydrophobicContact CE2-CD1 3.94Å; F218-I301 HydrophobicContact CE2-CG1 3.96Å; F218-I301 HydrophobicContact CE2-CG2 4.38Å; F218-L302 PolarHBondContact N-O 2.9Å; F218-D304 PolarHBondContact O-N 3.07Å
219	N	95.1	Very high	97.1	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103	163.9	174.3	9.8	0	0	0	108	Y187 N221 D304 N305	Y187-N219 WeakPolarHBondContact CE1-O 3.44Å; Y187-N219 PolarHBondContact OH-O 2.87Å; N219-N221 VanDerWaalsContact OD1-CB 3.27Å; N219-N221 WeakPolarHBondContact OD1-CB 3.37Å; N219-N221 PolarHBondContact OD1-N 3.46Å; N219-D304 HydrophobicContact CB-CB 4.44Å; N219-N305 PolarHBondContact ND2-ND2 2.93Å
220	F	96.3	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.			trans	-91.7	2.5	175	-66.1	-54.4	0	0	0	113.3	Y187 F218 L275 L277 I286 V289 L303 F341	Y187-F220 HydrophobicContact CD1-CD1 4.36Å; Y187-F220 AromaticContact CD1-CE1 3.95Å; Y187-F220 HydrophobicContact CD1-CE1 3.95Å; Y187-F220 AromaticContact CE1-CD1 3.86Å; Y187-F220 HydrophobicContact CE1-CD1 3.86Å; Y187-F220 AromaticContact CE1-CE1 3.9Å; Y187-F220 HydrophobicContact CE1-CE1 3.9Å; Y187-F220 HydrophobicContact CE2-CD1 4.24Å; Y187-F220 HydrophobicContact CE2-CE1 4.48Å; Y187-F220 HydrophobicContact CG-CE1 4.25Å; Y187-F220 AromaticContact CZ-CD1 3.77Å; F218-F220 HydrophobicContact CB-CD1 4.46Å; F218-F220 HydrophobicContact CB-CD2 4.13Å; F218-F220 HydrophobicContact CB-CE1 3.99Å; F218-F220 HydrophobicContact CB-CE2 3.62Å; F218-F220 HydrophobicContact CB-CZ 3.54Å; F218-F220 HydrophobicContact CD1-CZ 4.31Å; F218-F220 HydrophobicContact CD2-CE2 4.35Å; F218-F220 HydrophobicContact CD2-CZ 4.03Å; F218-F220 HydrophobicContact CG-CE1 4.27Å; F218-F220 HydrophobicContact CG-CE2 4.16Å; F218-F220 AromaticContact CG-CZ 3.7Å; F218-F220 HydrophobicContact CG-CZ 3.7Å; F220-L275 WeakPolarHBondContact O-CD1 3.43Å; F220-L277 WeakPolarHBondContact O-CD2 3.48Å; F220-I286 HydrophobicContact CB-CD1 4.04Å; F220-I286 HydrophobicContact CD1-CD1 4.34Å; F220-I286 HydrophobicContact CD1-CG1 3.96Å; F220-I286 HydrophobicContact CD1-CG2 4.2Å; F220-I286 HydrophobicContact CD2-CG2 3.87Å; F220-I286 HydrophobicContact CE1-CG1 4.36Å; F220-I286 HydrophobicContact CE1-CG2 4.13Å; F220-I286 HydrophobicContact CE2-CG2 3.79Å; F220-I286 HydrophobicContact CG-CD1 4.18Å; F220-I286 HydrophobicContact CG-CG1 4.23Å; F220-I286 HydrophobicContact CG-CG2 4.09Å; F220-I286 HydrophobicContact CZ-CG2 3.93Å; F220-V289 HydrophobicContact CE1-CB 4.49Å; F220-V289 HydrophobicContact CE1-CG1 4.17Å; F220-V289 HydrophobicContact CZ-CG1 4.1Å; F220-L303 HydrophobicContact CD2-CD2 3.68Å; F220-L303 HydrophobicContact CE2-CD2 3.69Å; F220-F341 HydrophobicContact CB-CZ 4.16Å; F220-F341 HydrophobicContact CD2-CZ 4.32Å
221	N	93.7	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-70.4	-56.1	177.9	-171	68.8	0	0	0	111.3	N219 V267 D274 L275 N305 F308 F309	N219-N221 VanDerWaalsContact OD1-CB 3.27Å; N219-N221 WeakPolarHBondContact OD1-CB 3.37Å; N219-N221 PolarHBondContact OD1-N 3.46Å; N221-V267 VanDerWaalsContact ND2-CG1 3.3Å; N221-V267 WeakPolarHBondContact ND2-CG1 3.32Å; N221-D274 PolarHBondContact ND2-OD1 2.81Å; N221-D274 PolarHBondContact ND2-OD2 3.27Å; N221-D274 WeakPolarHBondContact O-CA 3.41Å; N221-L275 PolarHBondContact O-N 2.74Å; N221-N305 HydrophobicContact CB-CB 4.44Å; N221-F308 HydrophobicContact CB-CB 4.46Å; N221-F308 PolarHBondContact OD1-O 3.32Å; N221-F309 HydrophobicContact CB-CD1 4.07Å; N221-F309 HydrophobicContact CB-CE1 4.36Å; N221-F309 WeakPolarHBondContact OD1-CA 3.41Å; N221-F309 PolarHBondContact OD1-N 3.11Å
222	A	93.4	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	-170.4	0	0	0	0	0	111.7	F268 N272 V273 D274	A222-F268 HydrophobicContact CB-CD2 3.87Å; A222-F268 HydrophobicContact CB-CE2 4.17Å; A222-N272 HydrophobicContact CB-CB 4.17Å; A222-V273 WeakPolarHBondContact CA-O 3.36Å; A222-D274 WeakPolarHBondContact CB-OD1 3.45Å
223	I	97	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.5	175	59	173.7	0	0	0	110.7	V184 Y187 H227 I230 V235 L237 N272 V273 L275	V184-I223 HydrophobicContact CG1-CB 4.17Å; V184-I223 HydrophobicContact CG1-CG2 3.87Å; Y187-I223 HydrophobicContact CE2-CG2 3.68Å; Y187-I223 VanDerWaalsContact OH-CG2 3.29Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.31Å; I223-H227 HydrophobicContact CB-CB 3.99Å; I223-H227 HydrophobicContact CD1-CB 3.94Å; I223-H227 HydrophobicContact CG1-CB 4.29Å; I223-I230 HydrophobicContact CD1-CD1 3.85Å; I223-I230 HydrophobicContact CD1-CG1 3.8Å; I223-I230 HydrophobicContact CG1-CD1 4.29Å; I223-V235 HydrophobicContact CD1-CG2 4.35Å; I223-L237 HydrophobicContact CD1-CD2 4.17Å; I223-N272 CarbonylContact O-C 3.43Å; I223-N272 WeakPolarHBondContact O-CA 3.46Å; I223-V273 HydrophobicContact CG1-CG1 3.94Å; I223-V273 PolarHBondContact N-O 3.16Å; I223-V273 PolarHBondContact O-N 2.91Å; I223-L275 HydrophobicContact CD1-CD2 3.62Å; I223-L275 HydrophobicContact CD1-CG 4.26Å; I223-L275 HydrophobicContact CG1-CD2 4.16Å; I223-L275 HydrophobicContact CG1-CG 4.3Å; I223-L275 HydrophobicContact CG2-CD1 3.89Å; I223-L275 HydrophobicContact CG2-CG 4.15Å
224	S	97	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	144.6	169.5	179.3	0	0	0	0	110.3	V184 N226 H227 I230	V184-S224 WeakPolarHBondContact O-CB 3.37Å; V184-S224 PolarHBondContact O-N 2.82Å; S224-N226 PolarHBondContact O-N 2.95Å; S224-N226 VanDerWaalsContact O-N 3.07Å; S224-N226 PolarHBondContact OG-N 2.82Å; S224-N226 VanDerWaalsContact OG-N 3.14Å; S224-H227 WeakPolarHBondContact O-CB 3.15Å; S224-H227 PolarHBondContact O-N 3.05Å; S224-I230 WeakPolarHBondContact O-CD1 3.43Å
225	I	96.5	Very high	96.2	Very high	48 Å²	48	31.2 Å²	31.2	25%	0.246	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-20	167.4	59.4	174.7	0	0	0	113	V257 I259 P271 V273	I225-V257 HydrophobicContact CG2-CG1 3.74Å; I225-I259 HydrophobicContact CG2-CD1 3.93Å; I225-I259 HydrophobicContact CG2-CG1 4.2Å; I225-P271 HydrophobicContact CD1-CB 4.1Å; I225-P271 HydrophobicContact CG1-CB 4.06Å; I225-P271 WeakPolarHBondContact CG2-O 3.45Å; I225-P271 PolarHBondContact N-O 3.24Å; I225-V273 HydrophobicContact CG2-CB 4.41Å; I225-V273 HydrophobicContact CG2-CG1 4.27Å
226	N	95.5	Very high	96.1	Very high	56 Å²	56	35.4 Å²	35.4	30%	0.299	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.6	175.9	-60.4	-27.5	0	0	0	113.4	S177 H178 E185 S224 K228 Q231	S177-N226 PolarHBondContact OG-ND2 2.77Å; H178-N226 PolarHBondContact NE2-ND2 2.83Å; E185-N226 HydrophobicContact CG-CB 4.49Å; S224-N226 PolarHBondContact O-N 2.95Å; S224-N226 VanDerWaalsContact O-N 3.07Å; S224-N226 PolarHBondContact OG-N 2.82Å; S224-N226 VanDerWaalsContact OG-N 3.14Å; N226-K228 PolarHBondContact O-N 3.36Å; N226-Q231 PolarHBondContact O-NE2 3.35Å
227	H	97.1	Very high	96	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.			trans	-61.2	137.1	-175	-171.5	-70	0	0	0	111.5	V184 E185 Y187 I223 S224 W229 I230	V184-H227 PolarHBondContact O-CD2 3.14Å; E185-H227 WeakPolarHBondContact O-CA 3.48Å; E185-H227 PolarHBondContact O-CD2 2.89Å; E185-H227 VanDerWaalsContact O-CG 3.27Å; E185-H227 PolarHBondContact O-NE2 3.45Å; Y187-H227 AromaticContact CD2-NE2 3.38Å; Y187-H227 WeakPolarHBondContact CD2-NE2 3.36Å; Y187-H227 AromaticContact CE2-NE2 3.62Å; I223-H227 HydrophobicContact CB-CB 3.99Å; I223-H227 HydrophobicContact CD1-CB 3.94Å; I223-H227 HydrophobicContact CG1-CB 4.29Å; S224-H227 WeakPolarHBondContact O-CB 3.15Å; S224-H227 PolarHBondContact O-N 3.05Å; H227-W229 AromaticContact CE1-CD1 3.84Å; H227-W229 AromaticContact CE1-CD2 3.21Å; H227-W229 AromaticContact CE1-CE2 3.75Å; H227-W229 AromaticContact CE1-CE3 3.5Å; H227-W229 VanDerWaalsContact CE1-CE3 3.5Å; H227-W229 AromaticContact CE1-CG 3.32Å; H227-W229 WeakPolarHBondContact ND1-CB 3.45Å; H227-W229 AromaticContact ND1-CD2 3.72Å; H227-W229 AromaticContact ND1-CE3 3.96Å; H227-W229 AromaticContact ND1-CG 3.45Å; H227-W229 PolarHBondContact ND1-N 3.5Å; H227-W229 PolarHBondContact O-N 2.87Å; H227-I230 PolarHBondContact O-N 2.68Å
228	K	95.7	Very high	95.8	Very high	50 Å²	50	37.1 Å²	37.1	22%	0.217	18%	0.181	C	C	.	.	H	α-helix	trans	-54	-35.7	-174.5	69.6	174.3	179.3	-167.3	0	113.5	E185 D186 N226 I230 Q231 E232	E185-K228 PolarHBondContact O-N 3.43Å; E185-K228 VanDerWaalsContact O-N 3.14Å; D186-K228 HydrophobicContact CB-CD 4.36Å; D186-K228 WeakPolarHBondContact OD1-CE 3.25Å; D186-K228 IonicContact OD1-NZ 3.75Å; D186-K228 PolarHBondContact OD1-NZ 3.12Å; D186-K228 VanDerWaalsContact OD2-CD 3.26Å; D186-K228 WeakPolarHBondContact OD2-CD 2.88Å; D186-K228 WeakPolarHBondContact OD2-CE 3.42Å; D186-K228 IonicContact OD2-NZ 2.67Å; D186-K228 PolarHBondContact OD2-NZ 3.45Å; N226-K228 PolarHBondContact O-N 3.36Å; K228-I230 PolarHBondContact O-N 3.23Å; K228-Q231 PolarHBondContact O-N 3.45Å; K228-Q231 VanDerWaalsContact O-N 3.14Å; K228-E232 WeakPolarHBondContact O-CB 3.27Å; K228-E232 VanDerWaalsContact O-CG 3.27Å; K228-E232 WeakPolarHBondContact O-CG 3.32Å; K228-E232 PolarHBondContact O-N 3.15Å
229	W	97.4	Very high	95.5	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-30.4	178.6	-68.2	-18.9	0	0	0	114.3	Y187 H227 N233 K234 V235 L275 E285 I286 V289	Y187-W229 HydrophobicContact CD2-CE3 4.22Å; Y187-W229 AromaticContact CD2-CH2 3.32Å; Y187-W229 HydrophobicContact CD2-CH2 3.32Å; Y187-W229 AromaticContact CD2-CZ2 3.89Å; Y187-W229 HydrophobicContact CD2-CZ2 3.89Å; Y187-W229 AromaticContact CD2-CZ3 3.51Å; Y187-W229 HydrophobicContact CD2-CZ3 3.51Å; Y187-W229 HydrophobicContact CE2-CE3 4.09Å; Y187-W229 AromaticContact CE2-CH2 3.65Å; Y187-W229 HydrophobicContact CE2-CH2 3.65Å; Y187-W229 AromaticContact CE2-CZ3 3.36Å; Y187-W229 HydrophobicContact CE2-CZ3 3.36Å; Y187-W229 HydrophobicContact CG-CH2 4.35Å; H227-W229 AromaticContact CE1-CD1 3.84Å; H227-W229 AromaticContact CE1-CD2 3.21Å; H227-W229 AromaticContact CE1-CE2 3.75Å; H227-W229 AromaticContact CE1-CE3 3.5Å; H227-W229 VanDerWaalsContact CE1-CE3 3.5Å; H227-W229 AromaticContact CE1-CG 3.32Å; H227-W229 WeakPolarHBondContact ND1-CB 3.45Å; H227-W229 AromaticContact ND1-CD2 3.72Å; H227-W229 AromaticContact ND1-CE3 3.96Å; H227-W229 AromaticContact ND1-CG 3.45Å; H227-W229 PolarHBondContact ND1-N 3.5Å; H227-W229 PolarHBondContact O-N 2.87Å; W229-N233 WeakPolarHBondContact O-CA 3.17Å; W229-N233 PolarHBondContact O-N 3.37Å; W229-N233 VanDerWaalsContact O-N 3.1Å; W229-K234 HydrophobicContact CB-CB 4.21Å; W229-K234 HydrophobicContact CG-CB 4.26Å; W229-K234 PolarHBondContact O-N 2.83Å; W229-V235 HydrophobicContact CB-CB 4.42Å; W229-V235 HydrophobicContact CB-CG1 3.9Å; W229-V235 HydrophobicContact CB-CG2 3.76Å; W229-V235 HydrophobicContact CD2-CG1 3.69Å; W229-V235 HydrophobicContact CE3-CG1 3.45Å; W229-V235 VanDerWaalsContact CE3-CG1 3.45Å; W229-V235 HydrophobicContact CG-CG1 3.94Å; W229-V235 HydrophobicContact CZ3-CG1 4.13Å; W229-L275 HydrophobicContact CE3-CD1 4.47Å; W229-L275 HydrophobicContact CZ3-CD1 4.05Å; W229-E285 HydrophobicContact CD2-CB 4.5Å; W229-E285 HydrophobicContact CH2-CB 4.17Å; W229-E285 HydrophobicContact CZ2-CB 3.77Å; W229-I286 HydrophobicContact CH2-CG1 4.34Å; W229-V289 HydrophobicContact CH2-CG2 3.92Å; W229-V289 HydrophobicContact CZ2-CG2 3.66Å
230	I	96.1	Very high	95.2	Very high	37 Å²	37	42 Å²	42	19%	0.19	21%	0.206	C	C	.	.	H	α-helix	trans	-72	-47.9	175.2	-61.6	175.3	0	0	0	108.9	I223 S224 H227 K228 E232 N233 L237 I259 V273	I223-I230 HydrophobicContact CD1-CD1 3.85Å; I223-I230 HydrophobicContact CD1-CG1 3.8Å; I223-I230 HydrophobicContact CG1-CD1 4.29Å; S224-I230 WeakPolarHBondContact O-CD1 3.43Å; H227-I230 PolarHBondContact O-N 2.68Å; K228-I230 PolarHBondContact O-N 3.23Å; I230-E232 VanDerWaalsContact C-N 3.27Å; I230-E232 PolarHBondContact O-N 2.91Å; I230-N233 PolarHBondContact O-N 2.96Å; I230-N233 VanDerWaalsContact O-N 3.16Å; I230-L237 HydrophobicContact CD1-CD1 4.24Å; I230-L237 HydrophobicContact CD1-CD2 4.42Å; I230-L237 HydrophobicContact CG1-CD1 4.34Å; I230-L237 HydrophobicContact CG1-CD2 4.34Å; I230-I259 HydrophobicContact CD1-CD1 4.36Å; I230-I259 HydrophobicContact CG2-CG2 4.34Å; I230-V273 HydrophobicContact CD1-CG1 3.75Å
231	Q	91.3	Very high	94.7	Very high	149 Å²	149	46.5 Å²	46.5	70%	0.696	23%	0.226	S	C	*	.	H	α-helix	trans	-60.6	-37.3	179.1	-55.9	178.9	10.4	0	0	112.1	N226 K228	N226-Q231 PolarHBondContact O-NE2 3.35Å; K228-Q231 PolarHBondContact O-N 3.45Å; K228-Q231 VanDerWaalsContact O-N 3.14Å
232	E	95.4	Very high	94	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.4	-178.8	-62.6	174.7	151.7	0	0	113.5	K228 I230 K234	K228-E232 WeakPolarHBondContact O-CB 3.27Å; K228-E232 VanDerWaalsContact O-CG 3.27Å; K228-E232 WeakPolarHBondContact O-CG 3.32Å; K228-E232 PolarHBondContact O-N 3.15Å; I230-E232 VanDerWaalsContact C-N 3.27Å; I230-E232 PolarHBondContact O-N 2.91Å; E232-K234 VanDerWaalsContact C-N 3.29Å; E232-K234 HydrophobicContact CB-CD 4.16Å; E232-K234 HydrophobicContact CB-CG 3.87Å; E232-K234 PolarHBondContact O-N 3.45Å; E232-K234 IonicContact OE1-NZ 3.95Å; E232-K234 WeakPolarHBondContact OE2-CD 3.49Å; E232-K234 WeakPolarHBondContact OE2-CE 3.31Å; E232-K234 IonicContact OE2-NZ 3.12Å; E232-K234 PolarHBondContact OE2-NZ 3.16Å
233	N	94.9	Very high	93.1	Very high	116 Å²	116	55.8 Å²	55.8	62%	0.62	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	46.8	-174	-172.2	16.9	0	0	0	112.8	W229 I230 K281	W229-N233 WeakPolarHBondContact O-CA 3.17Å; W229-N233 PolarHBondContact O-N 3.37Å; W229-N233 VanDerWaalsContact O-N 3.1Å; I230-N233 PolarHBondContact O-N 2.96Å; I230-N233 VanDerWaalsContact O-N 3.16Å; N233-K281 WeakPolarHBondContact O-CE 3.3Å; N233-K281 PolarHBondContact O-NZ 3.09Å; N233-K281 PolarHBondContact OD1-NZ 3.19Å
234	K	96.4	Very high	92	Very high	74 Å²	74	56.6 Å²	56.6	32%	0.322	28%	0.284	S	S	.	.			trans	-93.5	-14.9	-178.4	-76.2	-172	-179	158.8	0	114.6	W229 E232 K281 E285	W229-K234 HydrophobicContact CB-CB 4.21Å; W229-K234 HydrophobicContact CG-CB 4.26Å; W229-K234 PolarHBondContact O-N 2.83Å; E232-K234 VanDerWaalsContact C-N 3.29Å; E232-K234 HydrophobicContact CB-CD 4.16Å; E232-K234 HydrophobicContact CB-CG 3.87Å; E232-K234 PolarHBondContact O-N 3.45Å; E232-K234 IonicContact OE1-NZ 3.95Å; E232-K234 WeakPolarHBondContact OE2-CD 3.49Å; E232-K234 WeakPolarHBondContact OE2-CE 3.31Å; E232-K234 IonicContact OE2-NZ 3.12Å; E232-K234 PolarHBondContact OE2-NZ 3.16Å; K234-K281 VanDerWaalsContact C-CE 3.47Å; K234-K281 WeakPolarHBondContact O-CE 3.15Å; K234-K281 WeakPolarHBondContact O-CG 3.23Å; K234-E285 HydrophobicContact CB-CG 4.09Å
235	V	97.4	Very high	90.9	Very high	8 Å²	8	61.1 Å²	61.1	5%	0.048	31%	0.308	C	S	.	.	S	Bend	trans	-127.5	171.8	-179.7	-64.2	0	0	0	0	111.1	I223 W229 L237 L275 K281 T282 E285	I223-V235 HydrophobicContact CD1-CG2 4.35Å; W229-V235 HydrophobicContact CB-CB 4.42Å; W229-V235 HydrophobicContact CB-CG1 3.9Å; W229-V235 HydrophobicContact CB-CG2 3.76Å; W229-V235 HydrophobicContact CD2-CG1 3.69Å; W229-V235 HydrophobicContact CE3-CG1 3.45Å; W229-V235 VanDerWaalsContact CE3-CG1 3.45Å; W229-V235 HydrophobicContact CG-CG1 3.94Å; W229-V235 HydrophobicContact CZ3-CG1 4.13Å; V235-L237 HydrophobicContact CG2-CD2 4.34Å; V235-L275 HydrophobicContact CB-CD2 3.84Å; V235-L275 HydrophobicContact CG1-CD2 4.24Å; V235-L275 HydrophobicContact CG2-CD2 3.6Å; V235-K281 PolarHBondContact O-NZ 3.4Å; V235-T282 HydrophobicContact CB-CG2 4.42Å; V235-T282 HydrophobicContact CG1-CG2 4.34Å; V235-E285 HydrophobicContact CG1-CB 4.23Å; V235-E285 HydrophobicContact CG1-CG 4.32Å
236	E	96.9	Very high	89.8	Confident	88 Å²	88	67.8 Å²	67.8	41%	0.411	34%	0.335	S	S	.	.			trans	-110.3	141.2	166.3	-71	175.2	-179.2	0	0	109	D276 S279 K281 T282	E236-D276 HydrophobicContact CB-CB 4.17Å; E236-D276 PolarHBondContact O-N 2.9Å; E236-S279 WeakPolarHBondContact OE2-CB 3.23Å; E236-S279 PolarHBondContact OE2-OG 2.92Å; E236-K281 HydrophobicContact CG-CD 4.29Å; E236-T282 PolarHBondContact N-OG1 2.87Å; E236-T282 PolarHBondContact O-OG1 3.27Å
237	L	96.2	Very high	88.9	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.12	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-104.5	146.4	179.4	-58.6	179.8	0	0	0	109.4	I223 I230 V235 L239 I259 F264 V273 D274 L275	I223-L237 HydrophobicContact CD1-CD2 4.17Å; I230-L237 HydrophobicContact CD1-CD1 4.24Å; I230-L237 HydrophobicContact CD1-CD2 4.42Å; I230-L237 HydrophobicContact CG1-CD1 4.34Å; I230-L237 HydrophobicContact CG1-CD2 4.34Å; V235-L237 HydrophobicContact CG2-CD2 4.34Å; L237-L239 PolarHBondContact O-N 2.91Å; L237-I259 HydrophobicContact CD1-CD1 3.74Å; L237-F264 HydrophobicContact CB-CD1 3.37Å; L237-F264 HydrophobicContact CB-CE1 3.68Å; L237-F264 HydrophobicContact CB-CG 4.03Å; L237-F264 HydrophobicContact CD1-CD1 4.12Å; L237-F264 HydrophobicContact CD1-CD2 4.23Å; L237-F264 HydrophobicContact CD1-CE1 4.19Å; L237-F264 HydrophobicContact CD1-CE2 4.32Å; L237-F264 HydrophobicContact CD1-CG 4.12Å; L237-F264 HydrophobicContact CD1-CZ 4.29Å; L237-F264 HydrophobicContact CG-CD1 4.37Å; L237-F264 HydrophobicContact CG-CE1 4.46Å; L237-V273 HydrophobicContact CB-CG2 4.44Å; L237-V273 HydrophobicContact CD1-CG1 4.3Å; L237-V273 HydrophobicContact CD1-CG2 4.03Å; L237-V273 HydrophobicContact CD2-CG1 4.09Å; L237-V273 HydrophobicContact CD2-CG2 4.32Å; L237-V273 HydrophobicContact CG-CG2 4.5Å; L237-D274 WeakPolarHBondContact CA-O 3.38Å; L237-L275 HydrophobicContact CD2-CD2 3.99Å
238	T	93.7	Very high	88.1	Confident	16 Å²	16	71.9 Å²	71.9	10%	0.098	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.3	117.4	179.7	-60.6	0	0	0	0	110.2	F264 Y265 D274 L275 D276	T238-F264 CarbonylContact O-C 3.25Å; T238-F264 WeakPolarHBondContact O-CA 3.43Å; T238-Y265 HydrophobicContact CG2-CD1 4.27Å; T238-Y265 HydrophobicContact CG2-CG 4.3Å; T238-Y265 PolarHBondContact O-N 2.72Å; T238-D274 PolarHBondContact N-O 3.45Å; T238-L275 PolarHBondContact OG1-O 2.96Å; T238-D276 PolarHBondContact OG1-N 3.43Å
239	L	92.7	Very high	87.6	Confident	94 Å²	94	69.5 Å²	69.5	49%	0.492	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-67.4	136.9	-179.2	-71.1	174.8	0	0	0	111.7	L237 K241 Q262 F264	L237-L239 PolarHBondContact O-N 2.91Å; L239-K241 PolarHBondContact O-N 2.93Å; L239-Q262 HydrophobicContact CD2-CG 4.39Å; L239-Q262 VanDerWaalsContact CD2-NE2 3.31Å; L239-F264 HydrophobicContact CD2-CD1 4.11Å; L239-F264 HydrophobicContact CD2-CE1 3.75Å
240	F	89	Confident	87	Confident	25 Å²	25	70.3 Å²	70.3	11%	0.11	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.4	125.7	174.7	-178.9	-98.6	0	0	0	111	F244 N245 I255 N256 K263	F240-F244 HydrophobicContact CD2-CB 4.21Å; F240-F244 HydrophobicContact CD2-CD2 4.18Å; F240-F244 HydrophobicContact CE2-CB 3.51Å; F240-F244 HydrophobicContact CE2-CD2 4.32Å; F240-F244 HydrophobicContact CE2-CG 4.45Å; F240-F244 HydrophobicContact CZ-CB 3.91Å; F240-N245 WeakPolarHBondContact CE1-OD1 3.24Å; F240-N245 WeakPolarHBondContact CZ-OD1 3.16Å; F240-I255 HydrophobicContact CD2-CG2 4.46Å; F240-I255 HydrophobicContact CE2-CG2 3.69Å; F240-N256 HydrophobicContact CD1-CB 4.39Å; F240-N256 HydrophobicContact CD2-CB 3.55Å; F240-N256 HydrophobicContact CE1-CB 4.49Å; F240-N256 HydrophobicContact CE2-CB 3.66Å; F240-N256 HydrophobicContact CG-CB 3.93Å; F240-N256 HydrophobicContact CZ-CB 4.14Å; F240-K263 HydrophobicContact CB-CB 3.74Å; F240-K263 VanDerWaalsContact CB-O 3.26Å; F240-K263 WeakPolarHBondContact CB-O 3.42Å; F240-K263 HydrophobicContact CD1-CB 4.21Å; F240-K263 HydrophobicContact CD1-CD 4.4Å; F240-K263 HydrophobicContact CG-CB 4.19Å; F240-K263 PolarHBondContact N-O 3.11Å; F240-K263 VanDerWaalsContact N-O 3.09Å
241	K	85.3	Confident	86.4	Confident	95 Å²	95	68.8 Å²	68.8	41%	0.413	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-97.9	141.3	175.7	-59.3	176.3	-174.1	168.6	0	110.5	L239 S243 F244	L239-K241 PolarHBondContact O-N 2.93Å; K241-S243 PolarHBondContact O-N 3.25Å; K241-S243 VanDerWaalsContact O-N 3.08Å; K241-F244 HydrophobicContact CB-CD2 3.83Å; K241-F244 HydrophobicContact CB-CE2 3.72Å; K241-F244 HydrophobicContact CB-CG 4.42Å; K241-F244 HydrophobicContact CB-CZ 4.23Å; K241-F244 HydrophobicContact CD-CE2 4.03Å; K241-F244 HydrophobicContact CD-CZ 3.99Å; K241-F244 HydrophobicContact CG-CD2 4.46Å; K241-F244 HydrophobicContact CG-CE2 3.9Å; K241-F244 HydrophobicContact CG-CZ 4.36Å; K241-F244 WeakPolarHBondContact O-CB 3.49Å; K241-F244 PolarHBondContact O-N 2.85Å
242	N	79.9	Confident	85.9	Confident	133 Å²	133	65.3 Å²	65.3	71%	0.711	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-57.5	-27.1	179.1	-77	-24.4	0	0	0	113.8	F244 N245	N242-F244 PolarHBondContact O-N 3.21Å; N242-N245 WeakPolarHBondContact O-CB 3.33Å; N242-N245 PolarHBondContact O-N 3.08Å; N242-N245 VanDerWaalsContact O-N 3.16Å; N242-N245 PolarHBondContact O-ND2 2.71Å; N242-N245 VanDerWaalsContact O-ND2 3.17Å
243	S	73	Confident	85.5	Confident	62 Å²	62	63 Å²	63	43%	0.434	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-62.5	-18.2	174.8	50.5	0	0	0	0	113.3	K241	K241-S243 PolarHBondContact O-N 3.25Å; K241-S243 VanDerWaalsContact O-N 3.08Å
244	F	75.5	Confident	85.2	Confident	16 Å²	16	60.3 Å²	60.3	7%	0.07	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-86.3	-5.9	176.9	-54.7	-34.6	0	0	0	114.1	F240 K241 N242 K246 R247 I255 Y265	F240-F244 HydrophobicContact CD2-CB 4.21Å; F240-F244 HydrophobicContact CD2-CD2 4.18Å; F240-F244 HydrophobicContact CE2-CB 3.51Å; F240-F244 HydrophobicContact CE2-CD2 4.32Å; F240-F244 HydrophobicContact CE2-CG 4.45Å; F240-F244 HydrophobicContact CZ-CB 3.91Å; K241-F244 HydrophobicContact CB-CD2 3.83Å; K241-F244 HydrophobicContact CB-CE2 3.72Å; K241-F244 HydrophobicContact CB-CG 4.42Å; K241-F244 HydrophobicContact CB-CZ 4.23Å; K241-F244 HydrophobicContact CD-CE2 4.03Å; K241-F244 HydrophobicContact CD-CZ 3.99Å; K241-F244 HydrophobicContact CG-CD2 4.46Å; K241-F244 HydrophobicContact CG-CE2 3.9Å; K241-F244 HydrophobicContact CG-CZ 4.36Å; K241-F244 WeakPolarHBondContact O-CB 3.49Å; K241-F244 PolarHBondContact O-N 2.85Å; N242-F244 PolarHBondContact O-N 3.21Å; F244-K246 PolarHBondContact O-N 3.15Å; F244-R247 WeakPolarHBondContact O-CB 3.34Å; F244-R247 PolarHBondContact O-N 2.86Å; F244-I255 HydrophobicContact CB-CG2 4.18Å; F244-Y265 AromaticContact CD2-CD2 3.61Å; F244-Y265 HydrophobicContact CD2-CD2 3.61Å; F244-Y265 HydrophobicContact CD2-CE2 4.12Å; F244-Y265 AromaticContact CE2-CD2 3.66Å; F244-Y265 HydrophobicContact CE2-CD2 3.66Å; F244-Y265 HydrophobicContact CE2-CE2 4.11Å; F244-Y265 HydrophobicContact CE2-CG 4.4Å; F244-Y265 HydrophobicContact CG-CD2 4.31Å; F244-Y265 HydrophobicContact CG-CE2 4.45Å; F244-Y265 HydrophobicContact CZ-CD2 4.39Å; F244-Y265 HydrophobicContact CZ-CE2 4.43Å
245	N	73.8	Confident	84.8	Confident	96 Å²	96	57 Å²	57	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.4	-173.9	-83.3	-30	0	0	0	115.2	F240 N242	F240-N245 WeakPolarHBondContact CE1-OD1 3.24Å; F240-N245 WeakPolarHBondContact CZ-OD1 3.16Å; N242-N245 WeakPolarHBondContact O-CB 3.33Å; N242-N245 PolarHBondContact O-N 3.08Å; N242-N245 VanDerWaalsContact O-N 3.16Å; N242-N245 PolarHBondContact O-ND2 2.71Å; N242-N245 VanDerWaalsContact O-ND2 3.17Å
246	K	73.3	Confident	84.4	Confident	187 Å²	187	59 Å²	59	81%	0.813	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.9	178.3	-63.2	-174.1	179.2	-178.1	0	114	F244	F244-K246 PolarHBondContact O-N 3.15Å
247	R	77	Confident	84.3	Confident	80 Å²	80	55.1 Å²	55.1	30%	0.302	29%	0.288	S	S	.	.			trans	-91.6	147.5	-176.4	-58.8	-176.1	-176.2	-164	-3.6	110.5	F244 I255	F244-R247 WeakPolarHBondContact O-CB 3.34Å; F244-R247 PolarHBondContact O-N 2.86Å; R247-I255 HydrophobicContact CB-CD1 3.89Å; R247-I255 HydrophobicContact CB-CG2 4.45Å
248	I	79.8	Confident	84.2	Confident	62 Å²	62	58.5 Å²	58.5	32%	0.318	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-108.8	146.3	172.6	-59.9	178.8	0	0	0	107.9	S252 K253 S322	I248-S252 VanDerWaalsContact CG2-C 3.44Å; I248-K253 WeakPolarHBondContact CG2-O 3.29Å; I248-S322 WeakPolarHBondContact CD1-O 3.24Å; I248-S322 VanDerWaalsContact CG1-O 3.25Å; I248-S322 WeakPolarHBondContact CG1-O 3.42Å
249	S	85.1	Confident	84.2	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.007	31%	0.311	C	S	.	.			trans	-63.9	168.3	176.2	90.6	0	0	0	0	111.3	Y251 S252 K253 V267 F268	S249-Y251 PolarHBondContact O-N 2.63Å; S249-Y251 VanDerWaalsContact O-N 3.11Å; S249-Y251 PolarHBondContact OG-N 3.19Å; S249-S252 PolarHBondContact O-N 2.98Å; S249-K253 WeakPolarHBondContact CB-O 3.42Å; S249-K253 PolarHBondContact N-O 2.89Å; S249-K253 WeakPolarHBondContact OG-CB 3.48Å; S249-K253 PolarHBondContact OG-N 3.2Å; S249-K253 VanDerWaalsContact OG-N 3.08Å; S249-K253 PolarHBondContact OG-O 3.47Å; S249-V267 VanDerWaalsContact CB-O 3.25Å; S249-V267 WeakPolarHBondContact CB-O 3.46Å; S249-F268 PolarHBondContact OG-O 2.53Å
250	R	84.6	Confident	84.1	Confident	19 Å²	19	59.4 Å²	59.4	7%	0.072	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33	174.8	171	60	-169.3	88.3	2.3	112.6	V267 F268 W324 D368 G370 S402	R250-V267 WeakPolarHBondContact CB-O 3.29Å; R250-V267 PolarHBondContact N-O 3.24Å; R250-F268 HydrophobicContact CB-CD1 4.19Å; R250-F268 HydrophobicContact CG-CD1 4.42Å; R250-F268 HydrophobicContact CG-CE1 4.47Å; R250-W324 HydrophobicContact CB-CD2 4.39Å; R250-D368 WeakPolarHBondContact CD-O 3.29Å; R250-D368 IonicContact CZ-OD1 2.74Å; R250-D368 IonicContact CZ-OD2 3.73Å; R250-D368 PolarHBondContact NE-O 3.23Å; R250-D368 IonicContact NE-OD1 2.75Å; R250-D368 PolarHBondContact NE-OD1 3.04Å; R250-D368 IonicContact NE-OD2 2.62Å; R250-D368 IonicContact NH2-OD1 3.49Å; R250-D368 PolarHBondContact NH2-OD1 3.01Å; R250-D368 IonicContact NH2-OD2 3.8Å; R250-D368 PolarHBondContact NH2-OD2 3.1Å; R250-G370 VanDerWaalsContact CZ-CA 3.47Å; R250-G370 VanDerWaalsContact NE-CA 3.34Å; R250-G370 VanDerWaalsContact NE-N 3.18Å; R250-S402 PolarHBondContact NH2-OG 2.97Å
251	Y	83.4	Confident	84.2	Confident	6 Å²	6	61.3 Å²	61.3	2%	0.024	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	35.9	-176.3	-60.4	-59.3	0	0	0	113.2	S249 K253 F268 D368 N485 E487	S249-Y251 PolarHBondContact O-N 2.63Å; S249-Y251 VanDerWaalsContact O-N 3.11Å; S249-Y251 PolarHBondContact OG-N 3.19Å; Y251-K253 PolarHBondContact O-N 2.84Å; Y251-K253 VanDerWaalsContact O-N 3.09Å; Y251-F268 HydrophobicContact CD2-CB 3.99Å; Y251-F268 AromaticContact CD2-CD1 3.79Å; Y251-F268 HydrophobicContact CD2-CD1 3.79Å; Y251-F268 HydrophobicContact CD2-CG 4.28Å; Y251-F268 HydrophobicContact CE2-CB 4.14Å; Y251-F268 AromaticContact CE2-CD1 3.28Å; Y251-F268 HydrophobicContact CE2-CD1 3.28Å; Y251-F268 AromaticContact CE2-CE1 3.93Å; Y251-F268 HydrophobicContact CE2-CE1 3.93Å; Y251-F268 AromaticContact CE2-CG 3.95Å; Y251-F268 HydrophobicContact CE2-CG 3.95Å; Y251-D368 WeakPolarHBondContact CE1-OD2 3.37Å; Y251-D368 PolarHBondContact OH-OD2 2.88Å; Y251-N485 HydrophobicContact CD2-CB 3.51Å; Y251-N485 HydrophobicContact CE2-CB 3.25Å; Y251-N485 HydrophobicContact CG-CB 4.43Å; Y251-E487 HydrophobicContact CD1-CB 3.32Å; Y251-E487 HydrophobicContact CE1-CB 3.45Å; Y251-E487 VanDerWaalsContact CE1-CB 3.45Å; Y251-E487 HydrophobicContact CG-CB 4.12Å
252	S	81.5	Confident	84.6	Confident	75 Å²	75	61.9 Å²	61.9	52%	0.524	36%	0.362	S	S	.	.	S	Bend	trans	62.9	16.1	176	-55.5	0	0	0	0	115.1	I248 S249 E488	I248-S252 VanDerWaalsContact CG2-C 3.44Å; S249-S252 PolarHBondContact O-N 2.98Å; S252-E488 PolarHBondContact OG-OE2 3Å
253	K	86.2	Confident	85.3	Confident	46 Å²	46	60.4 Å²	60.4	20%	0.2	35%	0.35	C	S	.	.	S	Bend	trans	-97.3	168.9	179.9	-60.8	178.2	-172.5	168.5	0	111.6	I248 S249 Y251 I255 S270 N485	I248-K253 WeakPolarHBondContact CG2-O 3.29Å; S249-K253 WeakPolarHBondContact CB-O 3.42Å; S249-K253 PolarHBondContact N-O 2.89Å; S249-K253 WeakPolarHBondContact OG-CB 3.48Å; S249-K253 PolarHBondContact OG-N 3.2Å; S249-K253 VanDerWaalsContact OG-N 3.08Å; S249-K253 PolarHBondContact OG-O 3.47Å; Y251-K253 PolarHBondContact O-N 2.84Å; Y251-K253 VanDerWaalsContact O-N 3.09Å; K253-I255 PolarHBondContact O-N 3.01Å; K253-S270 WeakPolarHBondContact CD-O 3.46Å; K253-S270 PolarHBondContact NZ-O 3.19Å; K253-N485 PolarHBondContact NZ-O 3.3Å
254	A	88.3	Confident	86.4	Confident	61 Å²	61	58.4 Å²	58.4	50%	0.504	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-59.5	133	167.1	0	0	0	0	0	110.3	N256 G269	A254-N256 VanDerWaalsContact C-N 3.27Å; A254-G269 WeakPolarHBondContact O-CA 3.29Å
255	I	87.7	Confident	87.2	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	33%	0.333	C	S	.	.	S	Bend	trans	-80.2	-9.9	179.4	-154.5	173.2	0	0	0	112.7	F240 F244 R247 K253 Y265 S266	F240-I255 HydrophobicContact CD2-CG2 4.46Å; F240-I255 HydrophobicContact CE2-CG2 3.69Å; F244-I255 HydrophobicContact CB-CG2 4.18Å; R247-I255 HydrophobicContact CB-CD1 3.89Å; R247-I255 HydrophobicContact CB-CG2 4.45Å; K253-I255 PolarHBondContact O-N 3.01Å; I255-Y265 HydrophobicContact CD1-CD2 4.07Å; I255-Y265 HydrophobicContact CD1-CE2 3.29Å; I255-Y265 HydrophobicContact CG1-CD2 3.93Å; I255-Y265 HydrophobicContact CG1-CE2 3.58Å; I255-S266 WeakPolarHBondContact CG1-O 3.38Å; I255-S266 PolarHBondContact O-N 3.45Å
256	N	90.8	Very high	88.1	Confident	51 Å²	51	53.8 Å²	53.8	27%	0.273	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142	171.1	63.4	79.1	0	0	0	111.1	F240 A254 F264	F240-N256 HydrophobicContact CD1-CB 4.39Å; F240-N256 HydrophobicContact CD2-CB 3.55Å; F240-N256 HydrophobicContact CE1-CB 4.49Å; F240-N256 HydrophobicContact CE2-CB 3.66Å; F240-N256 HydrophobicContact CG-CB 3.93Å; F240-N256 HydrophobicContact CZ-CB 4.14Å; A254-N256 VanDerWaalsContact C-N 3.27Å; N256-F264 CarbonylContact C-O 3.56Å; N256-F264 VanDerWaalsContact CA-O 3.27Å; N256-F264 WeakPolarHBondContact CA-O 3.41Å
257	V	93.4	Very high	88.8	Confident	5 Å²	5	45 Å²	45	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.6	173.3	-178.4	0	0	0	0	108.1	I225 I259 K263 F264 N272	I225-V257 HydrophobicContact CG2-CG1 3.74Å; V257-I259 HydrophobicContact CG1-CG1 4.18Å; V257-K263 WeakPolarHBondContact O-CA 3.34Å; V257-F264 PolarHBondContact N-O 3.31Å; V257-F264 PolarHBondContact O-N 3.13Å; V257-N272 WeakPolarHBondContact CG2-O 3.49Å
258	D	94.3	Very high	89.4	Confident	94 Å²	94	41.2 Å²	41.2	50%	0.503	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.2	178	-166.6	-44.1	0	0	0	109.7	G261 Q262	D258-G261 WeakPolarHBondContact OD1-CA 3.22Å; D258-G261 PolarHBondContact OD1-N 3.11Å; D258-Q262 WeakPolarHBondContact CA-O 3.39Å
259	I	94.2	Very high	90	Very high	40 Å²	40	38.2 Å²	38.2	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	109.7	173.2	-53.3	174.7	0	0	0	107	I225 I230 L237 V257 G261 Q262 F264 V273	I225-I259 HydrophobicContact CG2-CD1 3.93Å; I225-I259 HydrophobicContact CG2-CG1 4.2Å; I230-I259 HydrophobicContact CD1-CD1 4.36Å; I230-I259 HydrophobicContact CG2-CG2 4.34Å; L237-I259 HydrophobicContact CD1-CD1 3.74Å; V257-I259 HydrophobicContact CG1-CG1 4.18Å; I259-G261 VanDerWaalsContact C-N 3.29Å; I259-G261 PolarHBondContact O-N 3.27Å; I259-Q262 PolarHBondContact N-O 2.82Å; I259-Q262 PolarHBondContact O-N 2.79Å; I259-F264 HydrophobicContact CB-CD2 3.95Å; I259-F264 HydrophobicContact CB-CE2 3.84Å; I259-F264 HydrophobicContact CD1-CD2 4.01Å; I259-F264 HydrophobicContact CD1-CE2 4.47Å; I259-F264 HydrophobicContact CG1-CD2 4.06Å; I259-F264 HydrophobicContact CG1-CE2 4.44Å; I259-V273 HydrophobicContact CD1-CB 4.24Å; I259-V273 HydrophobicContact CD1-CG1 4.06Å; I259-V273 HydrophobicContact CD1-CG2 4.08Å
260	G	90.4	Very high	90.4	Very high	90 Å²	90	41.1 Å²	41.1	93%	0.928	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	26.7	178.3	0	0	0	0	0	114.8	Q262	G260-Q262 VanDerWaalsContact C-N 3.31Å
261	G	91.6	Very high	90.9	Very high	64 Å²	64	40.6 Å²	40.6	66%	0.66	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-2.3	-178.5	0	0	0	0	0	114.3	D258 I259	D258-G261 WeakPolarHBondContact OD1-CA 3.22Å; D258-G261 PolarHBondContact OD1-N 3.11Å; I259-G261 VanDerWaalsContact C-N 3.29Å; I259-G261 PolarHBondContact O-N 3.27Å
262	Q	93.7	Very high	91.5	Very high	107 Å²	107	40.3 Å²	40.3	50%	0.5	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139	172.6	-173.5	167.5	29.5	0	0	110.1	L239 D258 I259 G260 F264	L239-Q262 HydrophobicContact CD2-CG 4.39Å; L239-Q262 VanDerWaalsContact CD2-NE2 3.31Å; D258-Q262 WeakPolarHBondContact CA-O 3.39Å; I259-Q262 PolarHBondContact N-O 2.82Å; I259-Q262 PolarHBondContact O-N 2.79Å; G260-Q262 VanDerWaalsContact C-N 3.31Å; Q262-F264 HydrophobicContact CB-CE2 3.82Å; Q262-F264 HydrophobicContact CB-CZ 4.01Å; Q262-F264 HydrophobicContact CG-CE1 4.29Å; Q262-F264 HydrophobicContact CG-CE2 3.89Å; Q262-F264 HydrophobicContact CG-CZ 3.7Å; Q262-F264 WeakPolarHBondContact O-CD2 3.36Å; Q262-F264 WeakPolarHBondContact O-CE2 3.19Å
263	K	94.7	Very high	92.2	Very high	102 Å²	102	36.7 Å²	36.7	44%	0.443	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.5	179.9	-65	-176.5	178.7	-176.1	0	111.2	F240 V257	F240-K263 HydrophobicContact CB-CB 3.74Å; F240-K263 VanDerWaalsContact CB-O 3.26Å; F240-K263 WeakPolarHBondContact CB-O 3.42Å; F240-K263 HydrophobicContact CD1-CB 4.21Å; F240-K263 HydrophobicContact CD1-CD 4.4Å; F240-K263 HydrophobicContact CG-CB 4.19Å; F240-K263 PolarHBondContact N-O 3.11Å; F240-K263 VanDerWaalsContact N-O 3.09Å; V257-K263 WeakPolarHBondContact O-CA 3.34Å
264	F	94.7	Very high	92.6	Very high	20 Å²	20	34.5 Å²	34.5	9%	0.088	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156.5	176.6	-61	-80.6	0	0	0	111	L237 T238 L239 N256 V257 I259 Q262 V273	L237-F264 HydrophobicContact CB-CD1 3.37Å; L237-F264 HydrophobicContact CB-CE1 3.68Å; L237-F264 HydrophobicContact CB-CG 4.03Å; L237-F264 HydrophobicContact CD1-CD1 4.12Å; L237-F264 HydrophobicContact CD1-CD2 4.23Å; L237-F264 HydrophobicContact CD1-CE1 4.19Å; L237-F264 HydrophobicContact CD1-CE2 4.32Å; L237-F264 HydrophobicContact CD1-CG 4.12Å; L237-F264 HydrophobicContact CD1-CZ 4.29Å; L237-F264 HydrophobicContact CG-CD1 4.37Å; L237-F264 HydrophobicContact CG-CE1 4.46Å; T238-F264 CarbonylContact O-C 3.25Å; T238-F264 WeakPolarHBondContact O-CA 3.43Å; L239-F264 HydrophobicContact CD2-CD1 4.11Å; L239-F264 HydrophobicContact CD2-CE1 3.75Å; N256-F264 CarbonylContact C-O 3.56Å; N256-F264 VanDerWaalsContact CA-O 3.27Å; N256-F264 WeakPolarHBondContact CA-O 3.41Å; V257-F264 PolarHBondContact N-O 3.31Å; V257-F264 PolarHBondContact O-N 3.13Å; I259-F264 HydrophobicContact CB-CD2 3.95Å; I259-F264 HydrophobicContact CB-CE2 3.84Å; I259-F264 HydrophobicContact CD1-CD2 4.01Å; I259-F264 HydrophobicContact CD1-CE2 4.47Å; I259-F264 HydrophobicContact CG1-CD2 4.06Å; I259-F264 HydrophobicContact CG1-CE2 4.44Å; Q262-F264 HydrophobicContact CB-CE2 3.82Å; Q262-F264 HydrophobicContact CB-CZ 4.01Å; Q262-F264 HydrophobicContact CG-CE1 4.29Å; Q262-F264 HydrophobicContact CG-CE2 3.89Å; Q262-F264 HydrophobicContact CG-CZ 3.7Å; Q262-F264 WeakPolarHBondContact O-CD2 3.36Å; Q262-F264 WeakPolarHBondContact O-CE2 3.19Å; F264-V273 HydrophobicContact CB-CG2 3.59Å; F264-V273 HydrophobicContact CG-CG2 4.32Å
265	Y	92.8	Very high	93.1	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	147	176.7	178.7	-94.7	0	0	0	110.8	T238 F244 I255 V267 D274 E311	T238-Y265 HydrophobicContact CG2-CD1 4.27Å; T238-Y265 HydrophobicContact CG2-CG 4.3Å; T238-Y265 PolarHBondContact O-N 2.72Å; F244-Y265 AromaticContact CD2-CD2 3.61Å; F244-Y265 HydrophobicContact CD2-CD2 3.61Å; F244-Y265 HydrophobicContact CD2-CE2 4.12Å; F244-Y265 AromaticContact CE2-CD2 3.66Å; F244-Y265 HydrophobicContact CE2-CD2 3.66Å; F244-Y265 HydrophobicContact CE2-CE2 4.11Å; F244-Y265 HydrophobicContact CE2-CG 4.4Å; F244-Y265 HydrophobicContact CG-CD2 4.31Å; F244-Y265 HydrophobicContact CG-CE2 4.45Å; F244-Y265 HydrophobicContact CZ-CD2 4.39Å; F244-Y265 HydrophobicContact CZ-CE2 4.43Å; I255-Y265 HydrophobicContact CD1-CD2 4.07Å; I255-Y265 HydrophobicContact CD1-CE2 3.29Å; I255-Y265 HydrophobicContact CG1-CD2 3.93Å; I255-Y265 HydrophobicContact CG1-CE2 3.58Å; Y265-V267 HydrophobicContact CE1-CB 4.27Å; Y265-D274 HydrophobicContact CD1-CB 4.08Å; Y265-D274 WeakPolarHBondContact CD1-OD2 3.32Å; Y265-D274 VanDerWaalsContact CE1-OD2 3.22Å; Y265-D274 WeakPolarHBondContact CE1-OD2 3.46Å; Y265-D274 PolarHBondContact O-N 2.81Å; Y265-D274 VanDerWaalsContact O-N 3.09Å; Y265-E311 HydrophobicContact CD1-CG 4.35Å; Y265-E311 VanDerWaalsContact CD1-OE1 3.28Å; Y265-E311 WeakPolarHBondContact CD1-OE1 3.38Å; Y265-E311 HydrophobicContact CE1-CG 3.86Å; Y265-E311 WeakPolarHBondContact CE1-OE1 3.3Å
266	S	92.5	Very high	93.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.21	C	C	.	.			trans	-151.7	115.6	173.7	178.9	0	0	0	0	110.8	I255 F268 G269 N272	I255-S266 WeakPolarHBondContact CG1-O 3.38Å; I255-S266 PolarHBondContact O-N 3.45Å; S266-F268 PolarHBondContact O-N 2.94Å; S266-G269 PolarHBondContact O-N 3.21Å; S266-G269 VanDerWaalsContact OG-CA 3.3Å; S266-G269 WeakPolarHBondContact OG-CA 3.25Å; S266-G269 PolarHBondContact OG-N 3.13Å; S266-N272 WeakPolarHBondContact CB-O 3.4Å; S266-N272 PolarHBondContact OG-O 2.77Å
267	V	88.9	Confident	93.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-64	-30.4	176.4	70.3	0	0	0	0	112.2	N221 S249 R250 Y265 D274 F308 W324	N221-V267 VanDerWaalsContact ND2-CG1 3.3Å; N221-V267 WeakPolarHBondContact ND2-CG1 3.32Å; S249-V267 VanDerWaalsContact CB-O 3.25Å; S249-V267 WeakPolarHBondContact CB-O 3.46Å; R250-V267 WeakPolarHBondContact CB-O 3.29Å; R250-V267 PolarHBondContact N-O 3.24Å; Y265-V267 HydrophobicContact CE1-CB 4.27Å; V267-D274 WeakPolarHBondContact CB-OD2 3.3Å; V267-D274 WeakPolarHBondContact CG1-OD2 3.26Å; V267-D274 PolarHBondContact N-OD1 3.49Å; V267-D274 PolarHBondContact N-OD2 3.21Å; V267-F308 HydrophobicContact CG1-CB 4.24Å; V267-F308 HydrophobicContact CG1-CD2 4.49Å; V267-F308 HydrophobicContact CG1-CG 4.21Å; V267-F308 HydrophobicContact CG2-CD1 3.71Å; V267-F308 HydrophobicContact CG2-CE1 3.93Å; V267-F308 HydrophobicContact CG2-CG 4.1Å; V267-F308 HydrophobicContact CG2-CZ 4.47Å; V267-W324 HydrophobicContact CG2-CH2 3.7Å; V267-W324 HydrophobicContact CG2-CZ3 3.86Å
268	F	90	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-97.4	-12.2	-179.4	-57.4	-47.9	0	0	0	113.4	A222 S249 R250 Y251 S266 N272 N305 F308	A222-F268 HydrophobicContact CB-CD2 3.87Å; A222-F268 HydrophobicContact CB-CE2 4.17Å; S249-F268 PolarHBondContact OG-O 2.53Å; R250-F268 HydrophobicContact CB-CD1 4.19Å; R250-F268 HydrophobicContact CG-CD1 4.42Å; R250-F268 HydrophobicContact CG-CE1 4.47Å; Y251-F268 HydrophobicContact CD2-CB 3.99Å; Y251-F268 AromaticContact CD2-CD1 3.79Å; Y251-F268 HydrophobicContact CD2-CD1 3.79Å; Y251-F268 HydrophobicContact CD2-CG 4.28Å; Y251-F268 HydrophobicContact CE2-CB 4.14Å; Y251-F268 AromaticContact CE2-CD1 3.28Å; Y251-F268 HydrophobicContact CE2-CD1 3.28Å; Y251-F268 AromaticContact CE2-CE1 3.93Å; Y251-F268 HydrophobicContact CE2-CE1 3.93Å; Y251-F268 AromaticContact CE2-CG 3.95Å; Y251-F268 HydrophobicContact CE2-CG 3.95Å; S266-F268 PolarHBondContact O-N 2.94Å; F268-N272 HydrophobicContact CB-CB 3.98Å; F268-N305 HydrophobicContact CZ-CB 4.35Å; F268-F308 HydrophobicContact CE1-CD2 4.18Å; F268-F308 AromaticContact CE1-CE2 3.85Å; F268-F308 HydrophobicContact CE1-CE2 3.85Å; F268-F308 HydrophobicContact CE1-CZ 4.47Å; F268-F308 AromaticContact CZ-CD2 3.76Å; F268-F308 HydrophobicContact CZ-CD2 3.76Å; F268-F308 AromaticContact CZ-CE2 3.83Å; F268-F308 HydrophobicContact CZ-CE2 3.83Å
269	G	90.9	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.197	C	C	.	.			trans	73.2	167.9	-174	0	0	0	0	0	113.3	A254 S266 N272	A254-G269 WeakPolarHBondContact O-CA 3.29Å; S266-G269 PolarHBondContact O-N 3.21Å; S266-G269 VanDerWaalsContact OG-CA 3.3Å; S266-G269 WeakPolarHBondContact OG-CA 3.25Å; S266-G269 PolarHBondContact OG-N 3.13Å; G269-N272 WeakPolarHBondContact O-CB 3.44Å; G269-N272 PolarHBondContact O-N 3.13Å
270	S	93.7	Very high	93.9	Very high	62 Å²	62	34 Å²	34	43%	0.434	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.4	-178.9	-176.6	0	0	0	0	112.4	K253	K253-S270 WeakPolarHBondContact CD-O 3.46Å; K253-S270 PolarHBondContact NZ-O 3.19Å
271	P	95.6	Very high	94.2	Very high	7 Å²	7	33 Å²	33	5%	0.045	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	17.1	8	37.8	-36.9	0	0	0	115.2	H178 M180 L183 I225	H178-P271 HydrophobicContact CB-CG 4.01Å; M180-P271 HydrophobicContact SD-CG 4.01Å; L183-P271 HydrophobicContact CD1-CG 3.73Å; L183-P271 HydrophobicContact CD2-CG 4.03Å; I225-P271 HydrophobicContact CD1-CB 4.1Å; I225-P271 HydrophobicContact CG1-CB 4.06Å; I225-P271 WeakPolarHBondContact CG2-O 3.45Å; I225-P271 PolarHBondContact N-O 3.24Å
272	N	95.6	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.6	170.5	-69.9	-80.6	0	0	0	110.6	L183 A222 I223 V257 S266 F268 G269 N485	L183-N272 VanDerWaalsContact CD2-OD1 3.25Å; L183-N272 WeakPolarHBondContact CD2-OD1 3.42Å; A222-N272 HydrophobicContact CB-CB 4.17Å; I223-N272 CarbonylContact O-C 3.43Å; I223-N272 WeakPolarHBondContact O-CA 3.46Å; V257-N272 WeakPolarHBondContact CG2-O 3.49Å; S266-N272 WeakPolarHBondContact CB-O 3.4Å; S266-N272 PolarHBondContact OG-O 2.77Å; F268-N272 HydrophobicContact CB-CB 3.98Å; G269-N272 WeakPolarHBondContact O-CB 3.44Å; G269-N272 PolarHBondContact O-N 3.13Å; N272-N485 PolarHBondContact ND2-OD1 3.23Å
273	V	96.3	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140.5	168.2	62.7	0	0	0	0	110.2	A222 I223 I225 I230 L237 I259 F264	A222-V273 WeakPolarHBondContact CA-O 3.36Å; I223-V273 HydrophobicContact CG1-CG1 3.94Å; I223-V273 PolarHBondContact N-O 3.16Å; I223-V273 PolarHBondContact O-N 2.91Å; I225-V273 HydrophobicContact CG2-CB 4.41Å; I225-V273 HydrophobicContact CG2-CG1 4.27Å; I230-V273 HydrophobicContact CD1-CG1 3.75Å; L237-V273 HydrophobicContact CB-CG2 4.44Å; L237-V273 HydrophobicContact CD1-CG1 4.3Å; L237-V273 HydrophobicContact CD1-CG2 4.03Å; L237-V273 HydrophobicContact CD2-CG1 4.09Å; L237-V273 HydrophobicContact CD2-CG2 4.32Å; L237-V273 HydrophobicContact CG-CG2 4.5Å; I259-V273 HydrophobicContact CD1-CB 4.24Å; I259-V273 HydrophobicContact CD1-CG1 4.06Å; I259-V273 HydrophobicContact CD1-CG2 4.08Å; F264-V273 HydrophobicContact CB-CG2 3.59Å; F264-V273 HydrophobicContact CG-CG2 4.32Å
274	D	95.4	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.8	-173.5	-67.1	5.7	0	0	0	111.3	N221 A222 L237 T238 Y265 V267	N221-D274 PolarHBondContact ND2-OD1 2.81Å; N221-D274 PolarHBondContact ND2-OD2 3.27Å; N221-D274 WeakPolarHBondContact O-CA 3.41Å; A222-D274 WeakPolarHBondContact CB-OD1 3.45Å; L237-D274 WeakPolarHBondContact CA-O 3.38Å; T238-D274 PolarHBondContact N-O 3.45Å; Y265-D274 HydrophobicContact CD1-CB 4.08Å; Y265-D274 WeakPolarHBondContact CD1-OD2 3.32Å; Y265-D274 VanDerWaalsContact CE1-OD2 3.22Å; Y265-D274 WeakPolarHBondContact CE1-OD2 3.46Å; Y265-D274 PolarHBondContact O-N 2.81Å; Y265-D274 VanDerWaalsContact O-N 3.09Å; V267-D274 WeakPolarHBondContact CB-OD2 3.3Å; V267-D274 WeakPolarHBondContact CG1-OD2 3.26Å; V267-D274 PolarHBondContact N-OD1 3.49Å; V267-D274 PolarHBondContact N-OD2 3.21Å
275	L	97.1	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-77.7	141.7	175.3	-74.4	178.9	0	0	0	110.4	F220 N221 I223 W229 V235 L237 T238 L277 T282	F220-L275 WeakPolarHBondContact O-CD1 3.43Å; N221-L275 PolarHBondContact O-N 2.74Å; I223-L275 HydrophobicContact CD1-CD2 3.62Å; I223-L275 HydrophobicContact CD1-CG 4.26Å; I223-L275 HydrophobicContact CG1-CD2 4.16Å; I223-L275 HydrophobicContact CG1-CG 4.3Å; I223-L275 HydrophobicContact CG2-CD1 3.89Å; I223-L275 HydrophobicContact CG2-CG 4.15Å; W229-L275 HydrophobicContact CE3-CD1 4.47Å; W229-L275 HydrophobicContact CZ3-CD1 4.05Å; V235-L275 HydrophobicContact CB-CD2 3.84Å; V235-L275 HydrophobicContact CG1-CD2 4.24Å; V235-L275 HydrophobicContact CG2-CD2 3.6Å; L237-L275 HydrophobicContact CD2-CD2 3.99Å; T238-L275 PolarHBondContact OG1-O 2.96Å; L275-L277 HydrophobicContact CB-CD2 3.92Å; L275-L277 HydrophobicContact CB-CG 4.44Å; L275-L277 HydrophobicContact CD1-CD2 4.48Å; L275-L277 PolarHBondContact O-N 2.97Å; L275-T282 HydrophobicContact CB-CG2 4.05Å; L275-T282 HydrophobicContact CD1-CG2 4.17Å; L275-T282 HydrophobicContact CD2-CG2 4.21Å; L275-T282 HydrophobicContact CG-CG2 4.39Å
276	D	95.5	Very high	95.3	Very high	43 Å²	43	28.1 Å²	28.1	23%	0.23	15%	0.151	C	C	.	.			trans	-76.9	95.5	165.3	-176.7	-10.2	0	0	0	109.1	E236 T238 T278 S279 T282	E236-D276 HydrophobicContact CB-CB 4.17Å; E236-D276 PolarHBondContact O-N 2.9Å; T238-D276 PolarHBondContact OG1-N 3.43Å; D276-T278 PolarHBondContact O-N 2.82Å; D276-T278 WeakPolarHBondContact OD1-CA 3.34Å; D276-T278 WeakPolarHBondContact OD1-CB 3.29Å; D276-T278 PolarHBondContact OD1-N 2.84Å; D276-T278 PolarHBondContact OD1-OG1 3.1Å; D276-S279 VanDerWaalsContact O-CB 3.31Å; D276-S279 WeakPolarHBondContact O-CB 3.5Å; D276-S279 PolarHBondContact O-N 2.79Å; D276-S279 PolarHBondContact OD1-N 3.2Å; D276-T282 WeakPolarHBondContact O-CB 3.34Å; D276-T282 WeakPolarHBondContact O-CG2 3.5Å; D276-T282 PolarHBondContact O-OG1 2.76Å
277	L	95.7	Very high	95.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-6.3	180	-64.4	-170.8	0	0	0	113.9	F220 L275 T282 Q283 I286 F309 V310 F341	F220-L277 WeakPolarHBondContact O-CD2 3.48Å; L275-L277 HydrophobicContact CB-CD2 3.92Å; L275-L277 HydrophobicContact CB-CG 4.44Å; L275-L277 HydrophobicContact CD1-CD2 4.48Å; L275-L277 PolarHBondContact O-N 2.97Å; L277-T282 HydrophobicContact CD2-CG2 4.05Å; L277-Q283 WeakPolarHBondContact O-CG 3.32Å; L277-Q283 PolarHBondContact O-NE2 3.15Å; L277-I286 HydrophobicContact CD2-CD1 3.43Å; L277-I286 VanDerWaalsContact CD2-CD1 3.43Å; L277-F309 HydrophobicContact CD1-CB 3.68Å; L277-F309 HydrophobicContact CD1-CD1 3.75Å; L277-F309 HydrophobicContact CD1-CG 3.8Å; L277-F309 WeakPolarHBondContact CD1-O 3.39Å; L277-V310 HydrophobicContact CB-CG2 4.15Å; L277-F341 HydrophobicContact CB-CD2 4.06Å; L277-F341 HydrophobicContact CB-CE2 4.37Å; L277-F341 HydrophobicContact CB-CG 4.31Å; L277-F341 HydrophobicContact CD1-CD1 4.03Å; L277-F341 HydrophobicContact CD1-CD2 4.44Å; L277-F341 HydrophobicContact CD1-CE1 3.86Å; L277-F341 HydrophobicContact CD1-CE2 4.3Å; L277-F341 HydrophobicContact CD1-CG 4.31Å; L277-F341 HydrophobicContact CD1-CZ 4.01Å; L277-F341 HydrophobicContact CD2-CE2 3.98Å; L277-F341 HydrophobicContact CD2-CZ 4.13Å; L277-F341 HydrophobicContact CG-CE2 4.47Å
278	T	94.1	Very high	96.1	Very high	73 Å²	73	32.9 Å²	32.9	45%	0.448	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.5	171.2	75.5	0	0	0	0	112.3	D276 V280 V310	D276-T278 PolarHBondContact O-N 2.82Å; D276-T278 WeakPolarHBondContact OD1-CA 3.34Å; D276-T278 WeakPolarHBondContact OD1-CB 3.29Å; D276-T278 PolarHBondContact OD1-N 2.84Å; D276-T278 PolarHBondContact OD1-OG1 3.1Å; T278-V280 PolarHBondContact O-N 2.65Å; T278-V310 HydrophobicContact CG2-CG1 3.6Å; T278-V310 HydrophobicContact CG2-CG2 4.23Å
279	S	96.1	Very high	96.5	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	17%	0.173	C	C	.	.			trans	-70.6	125.8	178.8	-177.4	0	0	0	0	112.1	E236 D276 K281 T282 Q283	E236-S279 WeakPolarHBondContact OE2-CB 3.23Å; E236-S279 PolarHBondContact OE2-OG 2.92Å; D276-S279 VanDerWaalsContact O-CB 3.31Å; D276-S279 WeakPolarHBondContact O-CB 3.5Å; D276-S279 PolarHBondContact O-N 2.79Å; D276-S279 PolarHBondContact OD1-N 3.2Å; S279-K281 PolarHBondContact O-N 3.22Å; S279-K281 PolarHBondContact OG-N 3.19Å; S279-T282 PolarHBondContact O-N 2.89Å; S279-Q283 WeakPolarHBondContact O-CG 3.32Å; S279-Q283 PolarHBondContact O-N 2.99Å
280	V	96.8	Very high	96.8	Very high	116 Å²	116	32.9 Å²	32.9	70%	0.703	17%	0.173	S	C	*	.	H	α-helix	trans	-58	-33.7	173.4	177.4	0	0	0	0	111.2	T278 K284	T278-V280 PolarHBondContact O-N 2.65Å; V280-K284 WeakPolarHBondContact O-CB 3Å; V280-K284 PolarHBondContact O-N 2.92Å
281	K	97.5	Very high	97	Very high	69 Å²	69	33.2 Å²	33.2	30%	0.3	17%	0.17	S	C	.	.	H	α-helix	trans	-66.1	-47.9	178.3	-176	-176	174	-156.7	0	110.7	N233 K234 V235 E236 S279 K284 E285	N233-K281 WeakPolarHBondContact O-CE 3.3Å; N233-K281 PolarHBondContact O-NZ 3.09Å; N233-K281 PolarHBondContact OD1-NZ 3.19Å; K234-K281 VanDerWaalsContact C-CE 3.47Å; K234-K281 WeakPolarHBondContact O-CE 3.15Å; K234-K281 WeakPolarHBondContact O-CG 3.23Å; V235-K281 PolarHBondContact O-NZ 3.4Å; E236-K281 HydrophobicContact CG-CD 4.29Å; S279-K281 PolarHBondContact O-N 3.22Å; S279-K281 PolarHBondContact OG-N 3.19Å; K281-K284 PolarHBondContact O-N 2.77Å; K281-E285 PolarHBondContact O-N 3.35Å
282	T	98	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-48.1	175.7	-58.1	0	0	0	0	111.9	V235 E236 L275 D276 L277 S279 K284 E285 I286	V235-T282 HydrophobicContact CB-CG2 4.42Å; V235-T282 HydrophobicContact CG1-CG2 4.34Å; E236-T282 PolarHBondContact N-OG1 2.87Å; E236-T282 PolarHBondContact O-OG1 3.27Å; L275-T282 HydrophobicContact CB-CG2 4.05Å; L275-T282 HydrophobicContact CD1-CG2 4.17Å; L275-T282 HydrophobicContact CD2-CG2 4.21Å; L275-T282 HydrophobicContact CG-CG2 4.39Å; D276-T282 WeakPolarHBondContact O-CB 3.34Å; D276-T282 WeakPolarHBondContact O-CG2 3.5Å; D276-T282 PolarHBondContact O-OG1 2.76Å; L277-T282 HydrophobicContact CD2-CG2 4.05Å; S279-T282 PolarHBondContact O-N 2.89Å; T282-K284 VanDerWaalsContact C-N 3.28Å; T282-K284 PolarHBondContact O-N 3.4Å; T282-E285 PolarHBondContact O-N 2.56Å; T282-E285 VanDerWaalsContact O-N 3.11Å; T282-I286 HydrophobicContact CG2-CD1 4.03Å; T282-I286 PolarHBondContact O-N 3.25Å; T282-I286 VanDerWaalsContact O-N 3.09Å
283	Q	97.8	Very high	97.3	Very high	43 Å²	43	35.5 Å²	35.5	20%	0.201	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-40.2	178.9	-72.2	-179.9	3.3	0	0	112.1	L277 S279 E285 I286 Y287 F341	L277-Q283 WeakPolarHBondContact O-CG 3.32Å; L277-Q283 PolarHBondContact O-NE2 3.15Å; S279-Q283 WeakPolarHBondContact O-CG 3.32Å; S279-Q283 PolarHBondContact O-N 2.99Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.22Å; Q283-I286 PolarHBondContact O-N 3.43Å; Q283-Y287 HydrophobicContact CB-CE2 4.2Å; Q283-Y287 WeakPolarHBondContact O-CD1 3.45Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.13Å; Q283-Y287 PolarHBondContact O-N 2.95Å; Q283-F341 HydrophobicContact CG-CD2 4.35Å
284	K	98	Very high	97.3	Very high	132 Å²	132	35.6 Å²	35.6	57%	0.574	18%	0.18	S	C	*	.	H	α-helix	trans	-58.4	-44	176.2	-176.4	-176.7	178.5	-174.3	0	112.3	V280 K281 T282 Y287 N288	V280-K284 WeakPolarHBondContact O-CB 3Å; V280-K284 PolarHBondContact O-N 2.92Å; K281-K284 PolarHBondContact O-N 2.77Å; T282-K284 VanDerWaalsContact C-N 3.28Å; T282-K284 PolarHBondContact O-N 3.4Å; K284-Y287 PolarHBondContact O-N 3.12Å; K284-N288 PolarHBondContact O-N 2.64Å; K284-N288 PolarHBondContact O-ND2 3.43Å; K284-N288 PolarHBondContact O-OD1 3.12Å
285	E	98.3	Very high	97.4	Very high	31 Å²	31	43.3 Å²	43.3	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-36.4	178.3	-69.2	-56.2	142.7	0	0	112.5	W229 K234 V235 K281 T282 Q283 N288 V289	W229-E285 HydrophobicContact CD2-CB 4.5Å; W229-E285 HydrophobicContact CH2-CB 4.17Å; W229-E285 HydrophobicContact CZ2-CB 3.77Å; K234-E285 HydrophobicContact CB-CG 4.09Å; V235-E285 HydrophobicContact CG1-CB 4.23Å; V235-E285 HydrophobicContact CG1-CG 4.32Å; K281-E285 PolarHBondContact O-N 3.35Å; T282-E285 PolarHBondContact O-N 2.56Å; T282-E285 VanDerWaalsContact O-N 3.11Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 3.22Å; E285-N288 WeakPolarHBondContact O-CB 3.35Å; E285-N288 PolarHBondContact O-N 3.4Å; E285-N288 PolarHBondContact OE1-ND2 3.43Å; E285-N288 PolarHBondContact OE2-ND2 3.35Å; E285-V289 WeakPolarHBondContact O-CG2 3.3Å; E285-V289 PolarHBondContact O-N 3.26Å; E285-V289 VanDerWaalsContact O-N 3.08Å
286	I	98.4	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-44.4	172.2	-68.8	169.6	0	0	0	110.8	F220 W229 L277 T282 Q283 N288 V289 I290 F341	F220-I286 HydrophobicContact CB-CD1 4.04Å; F220-I286 HydrophobicContact CD1-CD1 4.34Å; F220-I286 HydrophobicContact CD1-CG1 3.96Å; F220-I286 HydrophobicContact CD1-CG2 4.2Å; F220-I286 HydrophobicContact CD2-CG2 3.87Å; F220-I286 HydrophobicContact CE1-CG1 4.36Å; F220-I286 HydrophobicContact CE1-CG2 4.13Å; F220-I286 HydrophobicContact CE2-CG2 3.79Å; F220-I286 HydrophobicContact CG-CD1 4.18Å; F220-I286 HydrophobicContact CG-CG1 4.23Å; F220-I286 HydrophobicContact CG-CG2 4.09Å; F220-I286 HydrophobicContact CZ-CG2 3.93Å; W229-I286 HydrophobicContact CH2-CG1 4.34Å; L277-I286 HydrophobicContact CD2-CD1 3.43Å; L277-I286 VanDerWaalsContact CD2-CD1 3.43Å; T282-I286 HydrophobicContact CG2-CD1 4.03Å; T282-I286 PolarHBondContact O-N 3.25Å; T282-I286 VanDerWaalsContact O-N 3.09Å; Q283-I286 PolarHBondContact O-N 3.43Å; I286-N288 VanDerWaalsContact C-N 3.29Å; I286-N288 PolarHBondContact O-N 2.93Å; I286-V289 WeakPolarHBondContact O-CA 3.13Å; I286-V289 WeakPolarHBondContact O-CB 3.34Å; I286-V289 PolarHBondContact O-N 2.96Å; I286-I290 HydrophobicContact CG2-CD1 4.12Å; I286-I290 PolarHBondContact O-N 2.85Å; I286-F341 HydrophobicContact CD1-CE2 3.73Å; I286-F341 HydrophobicContact CD1-CZ 3.88Å; I286-F341 HydrophobicContact CG2-CE2 4.4Å; I286-F341 HydrophobicContact CG2-CZ 4.26Å
287	Y	98.4	Very high	97.6	Very high	47 Å²	47	44.5 Å²	44.5	18%	0.184	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-36	176.2	-59.2	-18.1	0	0	0	111.8	Q283 K284 V289 I290 D291 G344 V345 E348	Q283-Y287 HydrophobicContact CB-CE2 4.2Å; Q283-Y287 WeakPolarHBondContact O-CD1 3.45Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.13Å; Q283-Y287 PolarHBondContact O-N 2.95Å; K284-Y287 PolarHBondContact O-N 3.12Å; Y287-V289 VanDerWaalsContact C-N 3.26Å; Y287-V289 PolarHBondContact O-N 3.49Å; Y287-I290 HydrophobicContact CD1-CD1 4.14Å; Y287-I290 PolarHBondContact O-N 3.46Å; Y287-D291 WeakPolarHBondContact O-CB 3.21Å; Y287-D291 PolarHBondContact O-N 3.43Å; Y287-G344 WeakPolarHBondContact OH-CA 3.22Å; Y287-V345 HydrophobicContact CE1-CG2 4.26Å; Y287-E348 HydrophobicContact CD1-CB 4.34Å; Y287-E348 HydrophobicContact CD1-CG 4.46Å; Y287-E348 HydrophobicContact CG-CG 4.33Å
288	N	98.3	Very high	97.7	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-30.7	172.7	-64.1	-27.5	0	0	0	112.6	K188 K284 E285 I286 F292	K188-N288 VanDerWaalsContact CE-C 3.44Å; K188-N288 WeakPolarHBondContact CE-O 3.21Å; K188-N288 PolarHBondContact NZ-O 3.19Å; K284-N288 PolarHBondContact O-N 2.64Å; K284-N288 PolarHBondContact O-ND2 3.43Å; K284-N288 PolarHBondContact O-OD1 3.12Å; E285-N288 WeakPolarHBondContact O-CB 3.35Å; E285-N288 PolarHBondContact O-N 3.4Å; E285-N288 PolarHBondContact OE1-ND2 3.43Å; E285-N288 PolarHBondContact OE2-ND2 3.35Å; I286-N288 VanDerWaalsContact C-N 3.29Å; I286-N288 PolarHBondContact O-N 2.93Å; N288-F292 WeakPolarHBondContact O-CB 3.45Å; N288-F292 PolarHBondContact O-N 3.28Å
289	V	98.5	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70	-47.5	173.4	171.4	0	0	0	0	110.1	Y187 K188 F218 F220 W229 E285 I286 Y287 D291 F292 W293	Y187-V289 HydrophobicContact CG-CG1 4.48Å; Y187-V289 HydrophobicContact CG-CG2 4.3Å; K188-V289 HydrophobicContact CG-CG2 4.1Å; F218-V289 HydrophobicContact CE1-CG1 4.29Å; F218-V289 HydrophobicContact CZ-CG1 4.41Å; F220-V289 HydrophobicContact CE1-CB 4.49Å; F220-V289 HydrophobicContact CE1-CG1 4.17Å; F220-V289 HydrophobicContact CZ-CG1 4.1Å; W229-V289 HydrophobicContact CH2-CG2 3.92Å; W229-V289 HydrophobicContact CZ2-CG2 3.66Å; E285-V289 WeakPolarHBondContact O-CG2 3.3Å; E285-V289 PolarHBondContact O-N 3.26Å; E285-V289 VanDerWaalsContact O-N 3.08Å; I286-V289 WeakPolarHBondContact O-CA 3.13Å; I286-V289 WeakPolarHBondContact O-CB 3.34Å; I286-V289 PolarHBondContact O-N 2.96Å; Y287-V289 VanDerWaalsContact C-N 3.26Å; Y287-V289 PolarHBondContact O-N 3.49Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 3.07Å; V289-F292 WeakPolarHBondContact O-CB 3.42Å; V289-F292 PolarHBondContact O-N 2.79Å; V289-W293 VanDerWaalsContact O-CD1 3.26Å; V289-W293 PolarHBondContact O-N 3.05Å; V289-W293 VanDerWaalsContact O-N 3.12Å
290	I	98.4	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-47.7	177.8	-66.1	163.4	0	0	0	110.3	I286 Y287 F292 W293 M294 I301 V345 E348 I349	I286-I290 HydrophobicContact CG2-CD1 4.12Å; I286-I290 PolarHBondContact O-N 2.85Å; Y287-I290 HydrophobicContact CD1-CD1 4.14Å; Y287-I290 PolarHBondContact O-N 3.46Å; I290-F292 VanDerWaalsContact C-N 3.35Å; I290-F292 PolarHBondContact O-N 3.12Å; I290-W293 PolarHBondContact O-N 3.05Å; I290-M294 HydrophobicContact CG2-CE 4.46Å; I290-M294 HydrophobicContact CG2-CG 4.03Å; I290-M294 VanDerWaalsContact O-CB 3.29Å; I290-M294 WeakPolarHBondContact O-CB 3.19Å; I290-M294 WeakPolarHBondContact O-CG 3.25Å; I290-M294 PolarHBondContact O-N 3.32Å; I290-I301 HydrophobicContact CB-CD1 4.28Å; I290-I301 HydrophobicContact CG1-CD1 3.79Å; I290-I301 HydrophobicContact CG2-CD1 4.03Å; I290-V345 HydrophobicContact CD1-CB 4.31Å; I290-V345 HydrophobicContact CD1-CG1 3.76Å; I290-V345 HydrophobicContact CD1-CG2 4.04Å; I290-E348 HydrophobicContact CB-CG 4.49Å; I290-E348 HydrophobicContact CG2-CG 4.13Å; I290-I349 HydrophobicContact CG2-CG1 4.19Å
291	D	97.9	Very high	98.1	Very high	70 Å²	70	35 Å²	35	37%	0.374	17%	0.166	S	C	.	.	H	α-helix	trans	-57.2	-46.2	177.2	-177.7	69.3	0	0	0	112.2	Y287 V289 W293 M294 K295 W352	Y287-D291 WeakPolarHBondContact O-CB 3.21Å; Y287-D291 PolarHBondContact O-N 3.43Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 3.07Å; D291-W293 PolarHBondContact O-N 3.11Å; D291-M294 PolarHBondContact O-N 2.64Å; D291-K295 VanDerWaalsContact O-CB 3.29Å; D291-K295 WeakPolarHBondContact O-CB 3.22Å; D291-K295 PolarHBondContact O-N 2.78Å; D291-W352 VanDerWaalsContact OD1-CZ2 3.28Å; D291-W352 WeakPolarHBondContact OD1-CZ2 3.43Å; D291-W352 PolarHBondContact OD1-NE1 2.99Å
292	F	98.3	Very high	98.2	Very high	54 Å²	54	31.7 Å²	31.7	24%	0.237	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-52.1	178.3	173.4	-94.5	0	0	0	111.9	K188 M197 N288 V289 I290 K295 E296	K188-F292 HydrophobicContact CB-CD1 4.29Å; K188-F292 HydrophobicContact CB-CE1 4.36Å; K188-F292 HydrophobicContact CB-CG 4.5Å; K188-F292 HydrophobicContact CD-CB 4.28Å; K188-F292 HydrophobicContact CD-CG 4.29Å; K188-F292 HydrophobicContact CG-CB 4.41Å; K188-F292 HydrophobicContact CG-CD1 4.24Å; K188-F292 HydrophobicContact CG-CG 4.22Å; K188-F292 WeakPolarHBondContact O-CZ 3.31Å; M197-F292 HydrophobicContact CE-CZ 4.33Å; N288-F292 WeakPolarHBondContact O-CB 3.45Å; N288-F292 PolarHBondContact O-N 3.28Å; V289-F292 WeakPolarHBondContact O-CB 3.42Å; V289-F292 PolarHBondContact O-N 2.79Å; I290-F292 VanDerWaalsContact C-N 3.35Å; I290-F292 PolarHBondContact O-N 3.12Å; F292-K295 WeakPolarHBondContact O-CB 3.42Å; F292-K295 PolarHBondContact O-N 3.22Å; F292-E296 HydrophobicContact CE1-CG 4.47Å; F292-E296 HydrophobicContact CZ-CG 4.47Å; F292-E296 PolarHBondContact O-N 3.27Å; F292-E296 VanDerWaalsContact O-N 3.16Å
293	W	98.2	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73.8	-35.1	-176.9	-70.8	107.6	0	0	0	113	T170 Y187 L190 M197 F200 L216 F218 V289 I290 D291 K295 E296 G297 I298	T170-W293 HydrophobicContact CG2-CZ2 4.36Å; Y187-W293 PolarHBondContact O-NE1 3.16Å; L190-W293 HydrophobicContact CD2-CH2 3.67Å; L190-W293 HydrophobicContact CD2-CZ3 4.45Å; L190-W293 HydrophobicContact CG-CH2 4.19Å; M197-W293 HydrophobicContact CE-CZ3 4.36Å; M197-W293 HydrophobicContact SD-CH2 4.26Å; M197-W293 HydrophobicContact SD-CZ3 4.45Å; F200-W293 HydrophobicContact CD1-CZ3 4.19Å; F200-W293 HydrophobicContact CD2-CZ3 4.25Å; F200-W293 HydrophobicContact CE1-CE3 4.09Å; F200-W293 AromaticContact CE1-CZ3 3.78Å; F200-W293 HydrophobicContact CE1-CZ3 3.78Å; F200-W293 HydrophobicContact CE2-CE3 4.49Å; F200-W293 AromaticContact CE2-CZ3 3.84Å; F200-W293 HydrophobicContact CE2-CZ3 3.84Å; F200-W293 HydrophobicContact CG-CZ3 4.42Å; F200-W293 AromaticContact CZ-CE3 3.87Å; F200-W293 HydrophobicContact CZ-CE3 3.87Å; F200-W293 AromaticContact CZ-CZ3 3.59Å; F200-W293 HydrophobicContact CZ-CZ3 3.59Å; L216-W293 HydrophobicContact CD1-CB 4.43Å; L216-W293 HydrophobicContact CD1-CD2 3.6Å; L216-W293 HydrophobicContact CD1-CE3 3.42Å; L216-W293 VanDerWaalsContact CD1-CE3 3.42Å; L216-W293 HydrophobicContact CD1-CG 4.08Å; L216-W293 HydrophobicContact CD1-CH2 4.46Å; L216-W293 HydrophobicContact CD1-CZ3 3.89Å; F218-W293 AromaticContact CE1-CD1 3.94Å; F218-W293 AromaticContact CE1-NE1 3.67Å; F218-W293 HydrophobicContact CE2-CG 4.49Å; F218-W293 AromaticContact CZ-CD1 3.28Å; F218-W293 HydrophobicContact CZ-CD2 4.25Å; F218-W293 AromaticContact CZ-CG 3.8Å; F218-W293 HydrophobicContact CZ-CG 3.8Å; F218-W293 AromaticContact CZ-NE1 3.43Å; V289-W293 VanDerWaalsContact O-CD1 3.26Å; V289-W293 PolarHBondContact O-N 3.05Å; V289-W293 VanDerWaalsContact O-N 3.12Å; I290-W293 PolarHBondContact O-N 3.05Å; D291-W293 PolarHBondContact O-N 3.11Å; W293-K295 VanDerWaalsContact C-N 3.26Å; W293-K295 PolarHBondContact O-N 2.96Å; W293-E296 PolarHBondContact O-N 3.33Å; W293-G297 PolarHBondContact O-N 3.19Å; W293-G297 VanDerWaalsContact O-N 3.12Å; W293-I298 HydrophobicContact CB-CD1 3.56Å; W293-I298 HydrophobicContact CB-CG1 4.2Å; W293-I298 WeakPolarHBondContact O-CG1 3.12Å; W293-I298 PolarHBondContact O-N 3.44Å
294	M	97.7	Very high	98.1	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-36.9	173.6	-73.1	-68	171.1	0	0	111.6	I290 D291 G297 I298 I301 I349 W352 K360	I290-M294 HydrophobicContact CG2-CE 4.46Å; I290-M294 HydrophobicContact CG2-CG 4.03Å; I290-M294 VanDerWaalsContact O-CB 3.29Å; I290-M294 WeakPolarHBondContact O-CB 3.19Å; I290-M294 WeakPolarHBondContact O-CG 3.25Å; I290-M294 PolarHBondContact O-N 3.32Å; D291-M294 PolarHBondContact O-N 2.64Å; M294-G297 WeakPolarHBondContact O-CA 3.25Å; M294-G297 PolarHBondContact O-N 2.9Å; M294-G297 VanDerWaalsContact O-N 3.15Å; M294-I298 HydrophobicContact CE-CD1 4.39Å; M294-I298 HydrophobicContact CE-CG1 4.42Å; M294-I298 HydrophobicContact SD-CG1 4.08Å; M294-I301 HydrophobicContact CE-CD1 4.05Å; M294-I301 HydrophobicContact CE-CG1 4.15Å; M294-I349 HydrophobicContact CE-CD1 4.19Å; M294-I349 HydrophobicContact CE-CG1 3.98Å; M294-I349 HydrophobicContact CE-CG2 3.99Å; M294-W352 HydrophobicContact CB-CD2 3.55Å; M294-W352 HydrophobicContact CB-CE3 4.09Å; M294-W352 HydrophobicContact CB-CG 3.87Å; M294-W352 HydrophobicContact CB-CH2 4.31Å; M294-W352 HydrophobicContact CB-CZ2 3.79Å; M294-W352 HydrophobicContact CB-CZ3 4.44Å; M294-W352 HydrophobicContact CG-CD2 4.32Å; M294-W352 HydrophobicContact CG-CG 4.11Å; M294-K360 HydrophobicContact SD-CD 3.85Å; M294-K360 HydrophobicContact SD-CG 4.3Å
295	K	97.4	Very high	97.8	Very high	162 Å²	162	23.4 Å²	23.4	70%	0.704	12%	0.115	S	C	*	.	H	α-helix	trans	-66.6	-38.1	174	-172.6	179.6	179.9	-179.8	0	113.1	D291 F292 W293 G297 W352	D291-K295 VanDerWaalsContact O-CB 3.29Å; D291-K295 WeakPolarHBondContact O-CB 3.22Å; D291-K295 PolarHBondContact O-N 2.78Å; F292-K295 WeakPolarHBondContact O-CB 3.42Å; F292-K295 PolarHBondContact O-N 3.22Å; W293-K295 VanDerWaalsContact C-N 3.26Å; W293-K295 PolarHBondContact O-N 2.96Å; K295-G297 PolarHBondContact O-N 3.34Å; K295-W352 VanDerWaalsContact CA-CH2 3.48Å; K295-W352 HydrophobicContact CB-CH2 3.72Å; K295-W352 HydrophobicContact CB-CZ2 4.09Å; K295-W352 HydrophobicContact CG-CH2 4.33Å
296	E	97.6	Very high	97.6	Very high	43 Å²	43	21.9 Å²	21.9	20%	0.201	11%	0.108	C	C	.	.	H	α-helix	trans	-66.5	-21	172.3	-70	-67.2	155.5	0	0	112.1	M197 F200 R201 L204 F292 W293	M197-E296 HydrophobicContact CE-CG 3.8Å; F200-E296 HydrophobicContact CE1-CB 4.1Å; R201-E296 IonicContact CZ-OE1 2.68Å; R201-E296 IonicContact CZ-OE2 3.72Å; R201-E296 IonicContact NE-OE1 2.74Å; R201-E296 IonicContact NE-OE2 3.44Å; R201-E296 PolarHBondContact NE-OE2 3.09Å; R201-E296 IonicContact NH2-OE1 2.81Å; R201-E296 PolarHBondContact NH2-OE1 3.48Å; R201-E296 IonicContact NH2-OE2 3.53Å; R201-E296 PolarHBondContact NH2-OE2 2.99Å; L204-E296 WeakPolarHBondContact CD2-O 3.29Å; F292-E296 HydrophobicContact CE1-CG 4.47Å; F292-E296 HydrophobicContact CZ-CG 4.47Å; F292-E296 PolarHBondContact O-N 3.27Å; F292-E296 VanDerWaalsContact O-N 3.16Å; W293-E296 PolarHBondContact O-N 3.33Å
297	G	97.3	Very high	97.1	Very high	24 Å²	24	21.9 Å²	21.9	25%	0.247	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.6	16.8	163.9	0	0	0	0	0	115.8	H208 W293 M294 K295	H208-G297 PolarHBondContact CE1-O 2.98Å; W293-G297 PolarHBondContact O-N 3.19Å; W293-G297 VanDerWaalsContact O-N 3.12Å; M294-G297 WeakPolarHBondContact O-CA 3.25Å; M294-G297 PolarHBondContact O-N 2.9Å; M294-G297 VanDerWaalsContact O-N 3.15Å; K295-G297 PolarHBondContact O-N 3.34Å
298	I	98.4	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.			trans	-59.5	152.9	176.6	69.8	171.7	0	0	0	111.7	F200 L216 W293 M294 I301 K360	F200-I298 HydrophobicContact CE1-CG2 4.43Å; F200-I298 HydrophobicContact CZ-CG2 3.84Å; L216-I298 HydrophobicContact CB-CD1 4.42Å; L216-I298 HydrophobicContact CD1-CD1 4.25Å; L216-I298 HydrophobicContact CD1-CG2 3.8Å; L216-I298 HydrophobicContact CG-CD1 4.23Å; L216-I298 HydrophobicContact CG-CG2 3.91Å; W293-I298 HydrophobicContact CB-CD1 3.56Å; W293-I298 HydrophobicContact CB-CG1 4.2Å; W293-I298 WeakPolarHBondContact O-CG1 3.12Å; W293-I298 PolarHBondContact O-N 3.44Å; M294-I298 HydrophobicContact CE-CD1 4.39Å; M294-I298 HydrophobicContact CE-CG1 4.42Å; M294-I298 HydrophobicContact SD-CG1 4.08Å; I298-I301 HydrophobicContact CD1-CD1 4.29Å; I298-I301 HydrophobicContact CD1-CG1 3.81Å; I298-K360 PolarHBondContact O-NZ 2.73Å
299	D	98.7	Very high	96.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.011	9%	0.088	C	C	.	.	S	Bend	trans	-97.8	-0.3	-176.8	-58.5	-82.1	0	0	0	113.6	F120 H208 K213 V214 K360 L361	F120-D299 HydrophobicContact CE1-CB 4.41Å; F120-D299 HydrophobicContact CZ-CB 4.26Å; H208-D299 IonicContact CD2-OD2 3.68Å; H208-D299 IonicContact CE1-OD2 2.63Å; H208-D299 IonicContact NE2-OD1 3.67Å; H208-D299 IonicContact NE2-OD2 3.15Å; H208-D299 PolarHBondContact NE2-OD2 3.24Å; K213-D299 WeakPolarHBondContact CA-OD2 3.42Å; K213-D299 HydrophobicContact CB-CB 3.89Å; K213-D299 HydrophobicContact CD-CB 3.95Å; K213-D299 WeakPolarHBondContact CD-OD1 3.27Å; K213-D299 WeakPolarHBondContact CD-OD2 3.37Å; K213-D299 HydrophobicContact CG-CB 4.48Å; K213-D299 IonicContact NZ-OD1 2.67Å; K213-D299 PolarHBondContact NZ-OD1 2.72Å; K213-D299 VanDerWaalsContact NZ-OD1 3.14Å; V214-D299 PolarHBondContact N-OD2 3.26Å; V214-D299 PolarHBondContact O-N 2.97Å; D299-K360 VanDerWaalsContact O-CA 3.3Å; D299-K360 WeakPolarHBondContact O-CA 3.37Å; D299-L361 PolarHBondContact O-N 2.97Å
300	G	98.7	Very high	95.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	176.6	176.7	0	0	0	0	0	113.6	I215 L216 L361	I215-G300 WeakPolarHBondContact CA-O 3.46Å; L216-G300 PolarHBondContact N-O 2.63Å; L216-G300 VanDerWaalsContact N-O 3.15Å; G300-L361 CarbonylContact C-O 3.57Å; G300-L361 WeakPolarHBondContact CA-O 3.29Å
301	I	98.6	Very high	94.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.8	179.1	-69	174.9	0	0	0	109.4	L216 F218 I290 M294 I298 L303 L361 A363	L216-I301 CarbonylContact O-C 3.53Å; L216-I301 VanDerWaalsContact O-CA 3.3Å; L216-I301 WeakPolarHBondContact O-CA 3.31Å; F218-I301 HydrophobicContact CD2-CD1 4.11Å; F218-I301 HydrophobicContact CD2-CG1 4.13Å; F218-I301 HydrophobicContact CD2-CG2 3.7Å; F218-I301 HydrophobicContact CE2-CD1 3.94Å; F218-I301 HydrophobicContact CE2-CG1 3.96Å; F218-I301 HydrophobicContact CE2-CG2 4.38Å; I290-I301 HydrophobicContact CB-CD1 4.28Å; I290-I301 HydrophobicContact CG1-CD1 3.79Å; I290-I301 HydrophobicContact CG2-CD1 4.03Å; M294-I301 HydrophobicContact CE-CD1 4.05Å; M294-I301 HydrophobicContact CE-CG1 4.15Å; I298-I301 HydrophobicContact CD1-CD1 4.29Å; I298-I301 HydrophobicContact CD1-CG1 3.81Å; I301-L303 HydrophobicContact CG2-CD2 3.72Å; I301-L303 HydrophobicContact CG2-CG 4.27Å; I301-L361 PolarHBondContact N-O 2.87Å; I301-A363 PolarHBondContact O-N 3.01Å
302	L	98.6	Very high	93.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.8	161.8	-176.4	149.3	0	0	0	108.5	W128 I165 I215 L216 T217 F218 D304 A363 N365 I391	W128-L302 HydrophobicContact CH2-CD1 4.31Å; W128-L302 HydrophobicContact CZ2-CD1 4.38Å; W128-L302 HydrophobicContact CZ2-CD2 4.43Å; I165-L302 HydrophobicContact CD1-CD1 4.19Å; I165-L302 HydrophobicContact CG2-CB 4.21Å; I165-L302 HydrophobicContact CG2-CD1 4.01Å; I215-L302 HydrophobicContact CG2-CB 4.23Å; L216-L302 PolarHBondContact O-N 3.08Å; T217-L302 CarbonylContact C-O 3.57Å; T217-L302 WeakPolarHBondContact CA-O 3.48Å; T217-L302 HydrophobicContact CG2-CD2 3.66Å; F218-L302 PolarHBondContact N-O 2.9Å; L302-D304 HydrophobicContact CD2-CB 3.99Å; L302-A363 CarbonylContact C-O 3.33Å; L302-A363 WeakPolarHBondContact CA-O 3.22Å; L302-A363 HydrophobicContact CB-CB 4.09Å; L302-A363 HydrophobicContact CD1-CB 4.21Å; L302-A363 HydrophobicContact CG-CB 4.1Å; L302-N365 HydrophobicContact CD2-CB 3.85Å; L302-N365 HydrophobicContact CG-CB 4.47Å; L302-I391 HydrophobicContact CD1-CD1 4.19Å; L302-I391 HydrophobicContact CD1-CG1 4.13Å
303	L	98.1	Very high	91.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	108.3	173	-63.5	-175.6	0	0	0	108.6	F220 I301 F309 V342 V345 L362 A363 V364 N365	F220-L303 HydrophobicContact CD2-CD2 3.68Å; F220-L303 HydrophobicContact CE2-CD2 3.69Å; I301-L303 HydrophobicContact CG2-CD2 3.72Å; I301-L303 HydrophobicContact CG2-CG 4.27Å; L303-F309 HydrophobicContact CB-CE2 4.23Å; L303-F309 HydrophobicContact CB-CZ 3.94Å; L303-F309 HydrophobicContact CD1-CE2 4.25Å; L303-V342 HydrophobicContact CD1-CG1 4.25Å; L303-V342 HydrophobicContact CD1-CG2 4Å; L303-V345 HydrophobicContact CD1-CB 4.4Å; L303-V345 HydrophobicContact CD1-CG1 4.16Å; L303-V345 HydrophobicContact CD1-CG2 4.37Å; L303-L362 HydrophobicContact CD1-CD1 3.89Å; L303-L362 HydrophobicContact CG-CD1 3.89Å; L303-A363 PolarHBondContact N-O 2.9Å; L303-V364 HydrophobicContact CB-CG1 4.24Å; L303-V364 HydrophobicContact CD1-CG1 4.44Å; L303-V364 WeakPolarHBondContact O-CA 3.3Å; L303-N365 PolarHBondContact O-N 2.75Å
304	D	95.8	Very high	88.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	159	-179.6	-162.6	19.3	0	0	0	111.4	T217 F218 N219 L302 A306 F309 N365	T217-D304 HydrophobicContact CG2-CB 3.66Å; F218-D304 PolarHBondContact O-N 3.07Å; N219-D304 HydrophobicContact CB-CB 4.44Å; L302-D304 HydrophobicContact CD2-CB 3.99Å; D304-A306 PolarHBondContact O-N 3.08Å; D304-F309 WeakPolarHBondContact O-CE1 3.18Å; D304-N365 PolarHBondContact OD1-ND2 2.75Å
305	N	93	Very high	86.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	30.5	-177.5	-73.2	-42	0	0	0	112.9	N219 N221 F268 A307 F308 N365 S366 G367	N219-N305 PolarHBondContact ND2-ND2 2.93Å; N221-N305 HydrophobicContact CB-CB 4.44Å; F268-N305 HydrophobicContact CZ-CB 4.35Å; N305-A307 PolarHBondContact O-N 3.25Å; N305-A307 VanDerWaalsContact O-N 3.08Å; N305-F308 HydrophobicContact CB-CD2 3.92Å; N305-F308 PolarHBondContact O-N 3.11Å; N305-N365 PolarHBondContact N-O 2.91Å; N305-S366 WeakPolarHBondContact CA-O 3.45Å; N305-G367 WeakPolarHBondContact OD1-CA 3.47Å
306	A	93.4	Very high	84.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.3	-177.1	0	0	0	0	0	113.7	D304 F308 F309 V364 N365 M380 F383	D304-A306 PolarHBondContact O-N 3.08Å; A306-F308 PolarHBondContact O-N 2.93Å; A306-F309 VanDerWaalsContact CA-CE2 3.46Å; A306-F309 VanDerWaalsContact CA-CZ 3.41Å; A306-F309 HydrophobicContact CB-CD2 4.09Å; A306-F309 HydrophobicContact CB-CE1 4.47Å; A306-F309 HydrophobicContact CB-CE2 3.53Å; A306-F309 HydrophobicContact CB-CZ 3.75Å; A306-V364 HydrophobicContact CB-CB 4.17Å; A306-N365 VanDerWaalsContact CB-O 3.27Å; A306-N365 WeakPolarHBondContact CB-O 3.25Å; A306-N365 PolarHBondContact N-O 3.43Å; A306-M380 HydrophobicContact CB-CE 4.37Å; A306-F383 HydrophobicContact CB-CE2 4.38Å; A306-F383 HydrophobicContact CB-CZ 4.36Å
307	A	88.7	Confident	81.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.5	169.9	0	0	0	0	0	110.1	N305 I333 Y334 S366 T369	N305-A307 PolarHBondContact O-N 3.25Å; N305-A307 VanDerWaalsContact O-N 3.08Å; A307-I333 HydrophobicContact CB-CG2 3.26Å; A307-I333 CarbonylContact O-C 3.54Å; A307-I333 WeakPolarHBondContact O-CG2 3.05Å; A307-Y334 HydrophobicContact CB-CE1 3.65Å; A307-S366 WeakPolarHBondContact CB-O 3.35Å; A307-T369 HydrophobicContact CB-CG2 3.8Å
308	F	89	Confident	78.8	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	24%	0.239	C	C	.	.	S	Bend	trans	-92.5	-4.1	-168	-54.8	-59.3	0	0	0	116.5	N221 V267 F268 N305 A306 V310 W324 I333 T369	N221-F308 HydrophobicContact CB-CB 4.46Å; N221-F308 PolarHBondContact OD1-O 3.32Å; V267-F308 HydrophobicContact CG1-CB 4.24Å; V267-F308 HydrophobicContact CG1-CD2 4.49Å; V267-F308 HydrophobicContact CG1-CG 4.21Å; V267-F308 HydrophobicContact CG2-CD1 3.71Å; V267-F308 HydrophobicContact CG2-CE1 3.93Å; V267-F308 HydrophobicContact CG2-CG 4.1Å; V267-F308 HydrophobicContact CG2-CZ 4.47Å; F268-F308 HydrophobicContact CE1-CD2 4.18Å; F268-F308 AromaticContact CE1-CE2 3.85Å; F268-F308 HydrophobicContact CE1-CE2 3.85Å; F268-F308 HydrophobicContact CE1-CZ 4.47Å; F268-F308 AromaticContact CZ-CD2 3.76Å; F268-F308 HydrophobicContact CZ-CD2 3.76Å; F268-F308 AromaticContact CZ-CE2 3.83Å; F268-F308 HydrophobicContact CZ-CE2 3.83Å; N305-F308 HydrophobicContact CB-CD2 3.92Å; N305-F308 PolarHBondContact O-N 3.11Å; A306-F308 PolarHBondContact O-N 2.93Å; F308-V310 PolarHBondContact O-N 2.88Å; F308-W324 HydrophobicContact CD1-CH2 4.23Å; F308-W324 AromaticContact CE1-CH2 3.65Å; F308-W324 HydrophobicContact CE1-CH2 3.65Å; F308-W324 AromaticContact CE1-CZ2 3.59Å; F308-W324 HydrophobicContact CE1-CZ2 3.59Å; F308-W324 HydrophobicContact CZ-CZ2 4.22Å; F308-I333 HydrophobicContact CD1-CG1 4.47Å; F308-I333 HydrophobicContact CD1-CG2 3.93Å; F308-I333 HydrophobicContact CE1-CD1 4.14Å; F308-I333 HydrophobicContact CE1-CG1 4.26Å; F308-I333 HydrophobicContact CE1-CG2 4.11Å; F308-T369 HydrophobicContact CZ-CG2 4.43Å
309	F	91.9	Very high	76.3	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.281	C	S	.	.	S	Bend	trans	-53.6	-45.4	-163.4	-73.8	-15.5	0	0	0	118	N221 L277 L303 D304 A306 F341 V342	N221-F309 HydrophobicContact CB-CD1 4.07Å; N221-F309 HydrophobicContact CB-CE1 4.36Å; N221-F309 WeakPolarHBondContact OD1-CA 3.41Å; N221-F309 PolarHBondContact OD1-N 3.11Å; L277-F309 HydrophobicContact CD1-CB 3.68Å; L277-F309 HydrophobicContact CD1-CD1 3.75Å; L277-F309 HydrophobicContact CD1-CG 3.8Å; L277-F309 WeakPolarHBondContact CD1-O 3.39Å; L303-F309 HydrophobicContact CB-CE2 4.23Å; L303-F309 HydrophobicContact CB-CZ 3.94Å; L303-F309 HydrophobicContact CD1-CE2 4.25Å; D304-F309 WeakPolarHBondContact O-CE1 3.18Å; A306-F309 VanDerWaalsContact CA-CE2 3.46Å; A306-F309 VanDerWaalsContact CA-CZ 3.41Å; A306-F309 HydrophobicContact CB-CD2 4.09Å; A306-F309 HydrophobicContact CB-CE1 4.47Å; A306-F309 HydrophobicContact CB-CE2 3.53Å; A306-F309 HydrophobicContact CB-CZ 3.75Å; F309-F341 HydrophobicContact CB-CD1 4.47Å; F309-F341 AromaticContact CD2-CD1 3.56Å; F309-F341 HydrophobicContact CD2-CD1 3.56Å; F309-F341 AromaticContact CD2-CE1 3.85Å; F309-F341 HydrophobicContact CD2-CE1 3.85Å; F309-F341 AromaticContact CE2-CD1 3.93Å; F309-F341 HydrophobicContact CE2-CD1 3.93Å; F309-F341 AromaticContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CG-CD1 4.08Å; F309-F341 HydrophobicContact CG-CE1 4.26Å; F309-F341 HydrophobicContact CZ-CE1 4.22Å; F309-V342 HydrophobicContact CD2-CG2 4.07Å; F309-V342 HydrophobicContact CE2-CG2 3.89Å
310	V	87.7	Confident	73.8	Confident	13 Å²	13	54.2 Å²	54.2	8%	0.079	30%	0.295	C	S	.	.	S	Bend	trans	-135.3	119.8	-178.1	-174.1	0	0	0	0	110.1	L277 T278 F308 G312 E337 S338	L277-V310 HydrophobicContact CB-CG2 4.15Å; T278-V310 HydrophobicContact CG2-CG1 3.6Å; T278-V310 HydrophobicContact CG2-CG2 4.23Å; F308-V310 PolarHBondContact O-N 2.88Å; V310-G312 PolarHBondContact O-N 2.83Å; V310-E337 HydrophobicContact CB-CB 3.88Å; V310-E337 HydrophobicContact CG1-CB 3.55Å; V310-E337 HydrophobicContact CG1-CG 4.37Å; V310-E337 HydrophobicContact CG2-CB 4.12Å; V310-S338 PolarHBondContact N-OG 2.9Å
311	E	76.7	Confident	71.5	Confident	44 Å²	44	55.3 Å²	55.3	21%	0.206	31%	0.306	C	S	.	.			trans	-71.5	127.8	177.7	-55.7	79.9	-177.2	0	0	110.7	Y265	Y265-E311 HydrophobicContact CD1-CG 4.35Å; Y265-E311 VanDerWaalsContact CD1-OE1 3.28Å; Y265-E311 WeakPolarHBondContact CD1-OE1 3.38Å; Y265-E311 HydrophobicContact CE1-CG 3.86Å; Y265-E311 WeakPolarHBondContact CE1-OE1 3.3Å
312	G	65.7	Low	69.6	Low	53 Å²	53	58.9 Å²	58.9	55%	0.546	33%	0.331	S	S	.	.			trans	-56.5	144.4	177.7	0	0	0	0	0	113	V310 E314	V310-G312 PolarHBondContact O-N 2.83Å; G312-E314 VanDerWaalsContact C-N 3.28Å
313	K	54.2	Low	67.8	Low	189 Å²	189	61.2 Å²	61.2	82%	0.822	35%	0.345	S	S	*	.	S	Bend	trans	-74.4	-18.8	173.1	-68.3	-177.8	-179.6	175.1	0	112.9	E315	K313-E315 PolarHBondContact O-N 3.43Å; K313-E315 VanDerWaalsContact O-N 3.14Å
314	E	50.5	Low	66.4	Low	171 Å²	171	62.9 Å²	62.9	80%	0.799	35%	0.351	S	S	*	.			trans	-79.8	101.9	-173.8	-70.5	-170	174.2	0	0	111.7	G312 T316	G312-E314 VanDerWaalsContact C-N 3.28Å; E314-T316 PolarHBondContact O-N 2.7Å
315	E	50.7	Low	64.8	Low	133 Å²	133	66.9 Å²	66.9	62%	0.621	37%	0.372	S	S	*	.			trans	-67	75.6	165.2	-61.5	-176	161.1	0	0	109.6	K313 Q317	K313-E315 PolarHBondContact O-N 3.43Å; K313-E315 VanDerWaalsContact O-N 3.14Å; E315-Q317 VanDerWaalsContact C-N 3.3Å; E315-Q317 PolarHBondContact O-N 3.41Å
316	T	43.9	Very low	63.3	Low	80 Å²	80	73 Å²	73	49%	0.491	40%	0.401	S	S	.	.			trans	-68.7	98.7	166	41.5	0	0	0	0	108.1	E314 S318	E314-T316 PolarHBondContact O-N 2.7Å; T316-S318 PolarHBondContact O-N 2.79Å
317	Q	41.3	Very low	61.7	Low	189 Å²	189	75.2 Å²	75.2	88%	0.883	41%	0.413	S	S	*	.			trans	-60.2	82.3	165.5	-68	-177.5	-0.5	0	0	108.9	E315	E315-Q317 VanDerWaalsContact C-N 3.3Å; E315-Q317 PolarHBondContact O-N 3.41Å
318	S	41.9	Very low	60.5	Low	74 Å²	74	77.8 Å²	77.8	52%	0.517	43%	0.43	S	S	.	.			trans	-127.3	148.2	160.3	65.4	0	0	0	0	107.3	T316 L320	T316-S318 PolarHBondContact O-N 2.79Å; S318-L320 WeakPolarHBondContact O-CG 3.48Å; S318-L320 PolarHBondContact O-N 2.63Å
319	S	44.4	Very low	59	Low	126 Å²	126	77.5 Å²	77.5	88%	0.881	43%	0.429	S	S	*	.			trans	-63.1	61.9	-177.1	52.6	0	0	0	0	112.4	G321	S319-G321 PolarHBondContact O-N 2.64Å
320	L	47.9	Very low	57.2	Low	55 Å²	55	79.9 Å²	79.9	29%	0.288	44%	0.442	S	S	.	.			trans	-58.9	121.5	-178.1	-69.6	159	0	0	0	107.6	S318 N327 Q332	S318-L320 WeakPolarHBondContact O-CG 3.48Å; S318-L320 PolarHBondContact O-N 2.63Å; L320-N327 WeakPolarHBondContact CA-OD1 3.37Å; L320-N327 HydrophobicContact CD2-CB 3.79Å; L320-Q332 VanDerWaalsContact CD2-NE2 3.31Å
321	G	50.2	Low	55.3	Low	23 Å²	23	84.2 Å²	84.2	24%	0.237	47%	0.473	C	S	.	.			trans	-51.3	158.7	177.2	0	0	0	0	0	111.5	S319 T323 E326 N327	S319-G321 PolarHBondContact O-N 2.64Å; G321-T323 PolarHBondContact O-N 2.82Å; G321-T323 VanDerWaalsContact O-N 3.1Å; G321-E326 WeakPolarHBondContact CA-OE2 3.33Å; G321-N327 PolarHBondContact N-ND2 2.98Å; G321-N327 PolarHBondContact N-OD1 2.83Å; G321-N327 PolarHBondContact O-ND2 2.88Å
322	S	57.5	Low	54.2	Low	75 Å²	75	84.8 Å²	84.8	52%	0.524	48%	0.476	S	S	.	.	S	Bend	trans	-64	-16.4	-176.7	40.9	0	0	0	0	113.5	I248	I248-S322 WeakPolarHBondContact CD1-O 3.24Å; I248-S322 VanDerWaalsContact CG1-O 3.25Å; I248-S322 WeakPolarHBondContact CG1-O 3.42Å
323	T	61.7	Low	54.3	Low	48 Å²	48	82.7 Å²	82.7	29%	0.294	45%	0.452	S	S	.	.	S	Bend	trans	-111.7	148.1	-174.9	71.1	0	0	0	0	112.4	G321 L325 E326 N327	G321-T323 PolarHBondContact O-N 2.82Å; G321-T323 VanDerWaalsContact O-N 3.1Å; T323-L325 VanDerWaalsContact C-N 3.31Å; T323-L325 PolarHBondContact O-N 3.08Å; T323-E326 WeakPolarHBondContact OG1-CB 3.26Å; T323-E326 WeakPolarHBondContact OG1-CG 3.17Å; T323-E326 PolarHBondContact OG1-N 3.1Å; T323-E326 PolarHBondContact OG1-OE1 3.03Å; T323-N327 PolarHBondContact O-ND2 3.01Å; T323-N327 VanDerWaalsContact O-ND2 3.09Å
324	W	68.4	Low	55.1	Low	35 Å²	35	75 Å²	75	13%	0.133	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43	176.6	178.2	-82.9	0	0	0	112.1	R250 V267 F308 N327 P329 I333 T369	R250-W324 HydrophobicContact CB-CD2 4.39Å; V267-W324 HydrophobicContact CG2-CH2 3.7Å; V267-W324 HydrophobicContact CG2-CZ3 3.86Å; F308-W324 HydrophobicContact CD1-CH2 4.23Å; F308-W324 AromaticContact CE1-CH2 3.65Å; F308-W324 HydrophobicContact CE1-CH2 3.65Å; F308-W324 AromaticContact CE1-CZ2 3.59Å; F308-W324 HydrophobicContact CE1-CZ2 3.59Å; F308-W324 HydrophobicContact CZ-CZ2 4.22Å; W324-N327 PolarHBondContact O-N 3.46Å; W324-P329 HydrophobicContact CD2-CG 4.13Å; W324-P329 HydrophobicContact CE3-CG 4.44Å; W324-P329 HydrophobicContact CH2-CG 3.94Å; W324-P329 HydrophobicContact CZ2-CG 3.58Å; W324-P329 HydrophobicContact CZ3-CG 4.36Å; W324-I333 HydrophobicContact CH2-CD1 4.4Å; W324-I333 HydrophobicContact CH2-CG1 4.3Å; W324-I333 HydrophobicContact CZ2-CD1 3.85Å; W324-I333 HydrophobicContact CZ2-CG1 4.24Å; W324-T369 PolarHBondContact NE1-O 2.83Å
325	L	62.8	Low	56.4	Low	85 Å²	85	67.7 Å²	67.7	45%	0.445	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-68.1	-37.3	-174.4	-70.9	167.5	0	0	0	113.3	T323 N327 C328	T323-L325 VanDerWaalsContact C-N 3.31Å; T323-L325 PolarHBondContact O-N 3.08Å; L325-N327 PolarHBondContact O-N 3.11Å; L325-C328 PolarHBondContact O-N 3.19Å
326	E	61.4	Low	58.1	Low	127 Å²	127	67.2 Å²	67.2	59%	0.593	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-61.1	-26.9	178.8	-81.2	163.3	-143.4	0	0	112.9	G321 T323	G321-E326 WeakPolarHBondContact CA-OE2 3.33Å; T323-E326 WeakPolarHBondContact OG1-CB 3.26Å; T323-E326 WeakPolarHBondContact OG1-CG 3.17Å; T323-E326 PolarHBondContact OG1-N 3.1Å; T323-E326 PolarHBondContact OG1-OE1 3.03Å
327	N	59.2	Low	60.3	Low	48 Å²	48	67.2 Å²	67.2	26%	0.257	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-108.1	7.1	-171.4	-61.2	-58.7	0	0	0	113.9	L320 G321 T323 W324 L325 P329	L320-N327 WeakPolarHBondContact CA-OD1 3.37Å; L320-N327 HydrophobicContact CD2-CB 3.79Å; G321-N327 PolarHBondContact N-ND2 2.98Å; G321-N327 PolarHBondContact N-OD1 2.83Å; G321-N327 PolarHBondContact O-ND2 2.88Å; T323-N327 PolarHBondContact O-ND2 3.01Å; T323-N327 VanDerWaalsContact O-ND2 3.09Å; W324-N327 PolarHBondContact O-N 3.46Å; L325-N327 PolarHBondContact O-N 3.11Å; N327-P329 WeakPolarHBondContact O-CA 3.48Å; N327-P329 VanDerWaalsContact O-N 3.12Å
328	C	64.3	Low	62.7	Low	54 Å²	54	58.2 Å²	58.2	37%	0.365	34%	0.343	S	S	.	.			trans	-2.9	93	-166.5	-98.6	0	0	0	0	114.2	L325 N330 C371	L325-C328 PolarHBondContact O-N 3.19Å; C328-N330 PolarHBondContact O-N 3.3Å; C328-C371 WeakPolarHBondContact CA-SG 3.24Å; C328-C371 HydrophobicContact CB-CB 3.83Å; C328-C371 WeakPolarHBondContact CB-SG 3.17Å; C328-C371 WeakPolarHBondContact SG-CB 3.32Å; C328-C371 CovalentContact SG-SG 2.04Å; C328-C371 PolarHBondContact SG-SG 2.7Å
329	P	57.7	Low	65.2	Low	4 Å²	4	55.9 Å²	55.9	3%	0.026	33%	0.326	C	S	.	.			trans	-81.6	41.4	-150.2	16.7	-11.9	0	0	0	114.3	W324 N327 S331 Q332 I333	W324-P329 HydrophobicContact CD2-CG 4.13Å; W324-P329 HydrophobicContact CE3-CG 4.44Å; W324-P329 HydrophobicContact CH2-CG 3.94Å; W324-P329 HydrophobicContact CZ2-CG 3.58Å; W324-P329 HydrophobicContact CZ3-CG 4.36Å; N327-P329 WeakPolarHBondContact O-CA 3.48Å; N327-P329 VanDerWaalsContact O-N 3.12Å; P329-S331 PolarHBondContact O-N 3.21Å; P329-Q332 HydrophobicContact CB-CB 3.94Å; P329-Q332 HydrophobicContact CB-CG 4.15Å; P329-Q332 WeakPolarHBondContact O-CA 3.27Å; P329-Q332 PolarHBondContact O-N 2.86Å; P329-I333 HydrophobicContact CB-CD1 4.07Å; P329-I333 HydrophobicContact CB-CG1 3.89Å; P329-I333 HydrophobicContact CG-CD1 3.66Å; P329-I333 HydrophobicContact CG-CG1 3.86Å; P329-I333 VanDerWaalsContact O-CG1 3.25Å; P329-I333 WeakPolarHBondContact O-CG1 3.45Å; P329-I333 PolarHBondContact O-N 3.11Å
330	N	53.1	Low	67.6	Low	52 Å²	52	55.2 Å²	55.2	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-53	-25.6	179.3	-74.7	-23.9	0	0	0	112.8	C328 Y334 P379	C328-N330 PolarHBondContact O-N 3.3Å; N330-Y334 WeakPolarHBondContact O-CD2 3.24Å; N330-P379 HydrophobicContact CB-CG 4.44Å
331	S	48.7	Very low	69.9	Low	104 Å²	104	52.7 Å²	52.7	73%	0.727	29%	0.294	S	S	*	.	H	α-helix	trans	-82.4	-19.6	172.3	58	0	0	0	0	115.4	P329	P329-S331 PolarHBondContact O-N 3.21Å
332	Q	52.8	Low	72.1	Confident	55 Å²	55	51.6 Å²	51.6	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-102.4	-26.8	-176.9	-51.3	-178.3	7.6	0	0	113.3	L320 P329	L320-Q332 VanDerWaalsContact CD2-NE2 3.31Å; P329-Q332 HydrophobicContact CB-CB 3.94Å; P329-Q332 HydrophobicContact CB-CG 4.15Å; P329-Q332 WeakPolarHBondContact O-CA 3.27Å; P329-Q332 PolarHBondContact O-N 2.86Å
333	I	67.9	Low	74.1	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-76.7	-44.3	-176	-63.9	170.3	0	0	0	109.4	A307 F308 W324 P329	A307-I333 HydrophobicContact CB-CG2 3.26Å; A307-I333 CarbonylContact O-C 3.54Å; A307-I333 WeakPolarHBondContact O-CG2 3.05Å; F308-I333 HydrophobicContact CD1-CG1 4.47Å; F308-I333 HydrophobicContact CD1-CG2 3.93Å; F308-I333 HydrophobicContact CE1-CD1 4.14Å; F308-I333 HydrophobicContact CE1-CG1 4.26Å; F308-I333 HydrophobicContact CE1-CG2 4.11Å; W324-I333 HydrophobicContact CH2-CD1 4.4Å; W324-I333 HydrophobicContact CH2-CG1 4.3Å; W324-I333 HydrophobicContact CZ2-CD1 3.85Å; W324-I333 HydrophobicContact CZ2-CG1 4.24Å; P329-I333 HydrophobicContact CB-CD1 4.07Å; P329-I333 HydrophobicContact CB-CG1 3.89Å; P329-I333 HydrophobicContact CG-CD1 3.66Å; P329-I333 HydrophobicContact CG-CG1 3.86Å; P329-I333 VanDerWaalsContact O-CG1 3.25Å; P329-I333 WeakPolarHBondContact O-CG1 3.45Å; P329-I333 PolarHBondContact O-N 3.11Å
334	Y	71.5	Confident	75.8	Confident	26 Å²	26	50.5 Å²	50.5	10%	0.102	27%	0.268	C	S	.	.			trans	-95.9	120.4	-172.2	-63.5	-72.8	0	0	0	112.4	A307 N330 P379 M380 M382 F383 R393	A307-Y334 HydrophobicContact CB-CE1 3.65Å; N330-Y334 WeakPolarHBondContact O-CD2 3.24Å; Y334-P379 HydrophobicContact CD1-CB 4.21Å; Y334-P379 HydrophobicContact CD2-CB 3.37Å; Y334-P379 HydrophobicContact CD2-CG 4.01Å; Y334-P379 HydrophobicContact CE1-CB 4.43Å; Y334-P379 HydrophobicContact CE2-CB 3.64Å; Y334-P379 HydrophobicContact CE2-CG 4.05Å; Y334-P379 HydrophobicContact CG-CB 3.67Å; Y334-M380 HydrophobicContact CE1-CG 4.11Å; Y334-M380 HydrophobicContact CE1-SD 3.5Å; Y334-M380 VanDerWaalsContact CE1-SD 3.5Å; Y334-M382 HydrophobicContact CD1-SD 3.84Å; Y334-M382 HydrophobicContact CG-SD 4.16Å; Y334-F383 HydrophobicContact CD1-CE2 4.36Å; Y334-R393 PolarHBondContact OH-NH2 2.86Å; Y334-R393 VanDerWaalsContact OH-NH2 3.13Å
335	G	77.1	Confident	77.2	Confident	19 Å²	19	48.9 Å²	48.9	20%	0.196	26%	0.262	C	S	.	.			trans	-139.6	152.8	-179.9	0	0	0	0	0	114	E337 S338 V339 M382	G335-E337 PolarHBondContact O-N 3.5Å; G335-E337 VanDerWaalsContact O-N 3.16Å; G335-S338 VanDerWaalsContact O-CB 3.29Å; G335-S338 WeakPolarHBondContact O-CB 3.23Å; G335-S338 PolarHBondContact O-N 2.77Å; G335-V339 PolarHBondContact O-N 2.91Å; G335-M382 WeakPolarHBondContact O-CE 3.15Å
336	N	86.1	Confident	78.9	Confident	123 Å²	123	45.9 Å²	45.9	66%	0.658	25%	0.245	S	C	*	.	H	α-helix	trans	-59.1	-27.3	179.1	-75	-9.2	0	0	0	113.1	S338 V339 K340	N336-S338 VanDerWaalsContact C-N 3.34Å; N336-V339 WeakPolarHBondContact O-CB 3.46Å; N336-V339 PolarHBondContact O-N 2.73Å; N336-K340 PolarHBondContact O-N 2.89Å
337	E	90.4	Very high	80.6	Confident	79 Å²	79	45.1 Å²	45.1	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-68.4	-33	175.6	-60.8	-57.9	133.7	0	0	112	V310 G335 V339 K340 F341	V310-E337 HydrophobicContact CB-CB 3.88Å; V310-E337 HydrophobicContact CG1-CB 3.55Å; V310-E337 HydrophobicContact CG1-CG 4.37Å; V310-E337 HydrophobicContact CG2-CB 4.12Å; G335-E337 PolarHBondContact O-N 3.5Å; G335-E337 VanDerWaalsContact O-N 3.16Å; E337-V339 VanDerWaalsContact C-N 3.3Å; E337-V339 PolarHBondContact O-N 3.38Å; E337-K340 PolarHBondContact O-N 3.43Å; E337-K340 IonicContact OE1-NZ 2.71Å; E337-K340 PolarHBondContact OE1-NZ 3.5Å; E337-K340 WeakPolarHBondContact OE2-CD 3.49Å; E337-K340 IonicContact OE2-NZ 3.51Å; E337-F341 PolarHBondContact O-N 3.27Å
338	S	92.4	Very high	82.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-40.4	170.9	-52.3	0	0	0	0	110.9	V310 G335 N336 F341 V342	V310-S338 PolarHBondContact N-OG 2.9Å; G335-S338 VanDerWaalsContact O-CB 3.29Å; G335-S338 WeakPolarHBondContact O-CB 3.23Å; G335-S338 PolarHBondContact O-N 2.77Å; N336-S338 VanDerWaalsContact C-N 3.34Å; S338-F341 PolarHBondContact O-N 3.31Å; S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 3.14Å; S338-V342 VanDerWaalsContact O-N 3.08Å
339	V	94.3	Very high	84.1	Confident	26 Å²	26	41.3 Å²	41.3	16%	0.158	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-41.7	176	173.7	0	0	0	0	111.1	G335 N336 E337 F341 V342 E343 M382 F383 V386	G335-V339 PolarHBondContact O-N 2.91Å; N336-V339 WeakPolarHBondContact O-CB 3.46Å; N336-V339 PolarHBondContact O-N 2.73Å; E337-V339 VanDerWaalsContact C-N 3.3Å; E337-V339 PolarHBondContact O-N 3.38Å; V339-F341 VanDerWaalsContact C-N 3.34Å; V339-F341 PolarHBondContact O-N 3.01Å; V339-V342 PolarHBondContact O-N 3.24Å; V339-E343 WeakPolarHBondContact O-CB 3.43Å; V339-E343 PolarHBondContact O-N 3.27Å; V339-M382 HydrophobicContact CG2-CB 4.08Å; V339-M382 HydrophobicContact CG2-CE 3.65Å; V339-M382 HydrophobicContact CG2-CG 3.69Å; V339-M382 WeakPolarHBondContact CG2-O 3.32Å; V339-M382 HydrophobicContact CG2-SD 4.16Å; V339-F383 HydrophobicContact CG2-CD1 3.84Å; V339-F383 HydrophobicContact CG2-CE1 3.91Å; V339-V386 HydrophobicContact CG1-CG1 4.15Å; V339-V386 HydrophobicContact CG1-CG2 4.15Å
340	K	94.8	Very high	86	Confident	112 Å²	112	44.8 Å²	44.8	49%	0.487	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-39.5	175.1	-70.5	176.7	-176.4	169	0	112.7	N336 E337 E343 G344	N336-K340 PolarHBondContact O-N 2.89Å; E337-K340 PolarHBondContact O-N 3.43Å; E337-K340 IonicContact OE1-NZ 2.71Å; E337-K340 PolarHBondContact OE1-NZ 3.5Å; E337-K340 WeakPolarHBondContact OE2-CD 3.49Å; E337-K340 IonicContact OE2-NZ 3.51Å; K340-E343 WeakPolarHBondContact O-CB 3.15Å; K340-E343 PolarHBondContact O-N 2.83Å; K340-G344 PolarHBondContact O-N 3Å
341	F	95.9	Very high	88.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-48.3	174.3	169	-104.7	0	0	0	111.1	F220 L277 Q283 I286 F309 E337 S338 V339 E343 G344 V345	F220-F341 HydrophobicContact CB-CZ 4.16Å; F220-F341 HydrophobicContact CD2-CZ 4.32Å; L277-F341 HydrophobicContact CB-CD2 4.06Å; L277-F341 HydrophobicContact CB-CE2 4.37Å; L277-F341 HydrophobicContact CB-CG 4.31Å; L277-F341 HydrophobicContact CD1-CD1 4.03Å; L277-F341 HydrophobicContact CD1-CD2 4.44Å; L277-F341 HydrophobicContact CD1-CE1 3.86Å; L277-F341 HydrophobicContact CD1-CE2 4.3Å; L277-F341 HydrophobicContact CD1-CG 4.31Å; L277-F341 HydrophobicContact CD1-CZ 4.01Å; L277-F341 HydrophobicContact CD2-CE2 3.98Å; L277-F341 HydrophobicContact CD2-CZ 4.13Å; L277-F341 HydrophobicContact CG-CE2 4.47Å; Q283-F341 HydrophobicContact CG-CD2 4.35Å; I286-F341 HydrophobicContact CD1-CE2 3.73Å; I286-F341 HydrophobicContact CD1-CZ 3.88Å; I286-F341 HydrophobicContact CG2-CE2 4.4Å; I286-F341 HydrophobicContact CG2-CZ 4.26Å; F309-F341 HydrophobicContact CB-CD1 4.47Å; F309-F341 AromaticContact CD2-CD1 3.56Å; F309-F341 HydrophobicContact CD2-CD1 3.56Å; F309-F341 AromaticContact CD2-CE1 3.85Å; F309-F341 HydrophobicContact CD2-CE1 3.85Å; F309-F341 AromaticContact CE2-CD1 3.93Å; F309-F341 HydrophobicContact CE2-CD1 3.93Å; F309-F341 AromaticContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CG-CD1 4.08Å; F309-F341 HydrophobicContact CG-CE1 4.26Å; F309-F341 HydrophobicContact CZ-CE1 4.22Å; E337-F341 PolarHBondContact O-N 3.27Å; S338-F341 PolarHBondContact O-N 3.31Å; V339-F341 VanDerWaalsContact C-N 3.34Å; V339-F341 PolarHBondContact O-N 3.01Å; F341-E343 VanDerWaalsContact C-N 3.31Å; F341-E343 PolarHBondContact O-N 3.06Å; F341-G344 PolarHBondContact O-N 2.74Å; F341-G344 VanDerWaalsContact O-N 3.17Å; F341-V345 HydrophobicContact CE1-CG2 4.34Å; F341-V345 HydrophobicContact CE2-CG2 4.35Å; F341-V345 HydrophobicContact CZ-CG2 4.08Å; F341-V345 PolarHBondContact O-N 2.68Å; F341-V345 VanDerWaalsContact O-N 3.09Å
342	V	97.3	Very high	90.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-36.2	177	178.4	0	0	0	0	111.7	L303 F309 S338 V339 G344 V345 R346 L362 V364 F383 V386	L303-V342 HydrophobicContact CD1-CG1 4.25Å; L303-V342 HydrophobicContact CD1-CG2 4Å; F309-V342 HydrophobicContact CD2-CG2 4.07Å; F309-V342 HydrophobicContact CE2-CG2 3.89Å; S338-V342 WeakPolarHBondContact O-CG2 3.45Å; S338-V342 PolarHBondContact O-N 3.14Å; S338-V342 VanDerWaalsContact O-N 3.08Å; V339-V342 PolarHBondContact O-N 3.24Å; V342-G344 VanDerWaalsContact C-N 3.35Å; V342-G344 PolarHBondContact O-N 3.44Å; V342-V345 WeakPolarHBondContact O-CB 3.39Å; V342-V345 PolarHBondContact O-N 3.36Å; V342-R346 PolarHBondContact O-N 3.17Å; V342-L362 HydrophobicContact CG1-CD2 3.98Å; V342-V364 HydrophobicContact CG1-CG1 4.09Å; V342-V364 HydrophobicContact CG2-CG1 4.45Å; V342-F383 HydrophobicContact CB-CD1 4.15Å; V342-F383 HydrophobicContact CB-CE1 4.37Å; V342-F383 HydrophobicContact CG1-CD1 4.4Å; V342-F383 HydrophobicContact CG2-CD1 3.83Å; V342-F383 HydrophobicContact CG2-CE1 3.68Å; V342-V386 HydrophobicContact CB-CG2 4.03Å; V342-V386 HydrophobicContact CG1-CB 4.3Å; V342-V386 HydrophobicContact CG1-CG2 3.61Å
343	E	97.6	Very high	92.5	Very high	91 Å²	91	44.3 Å²	44.3	43%	0.425	22%	0.217	S	C	.	.	H	α-helix	trans	-59.3	-44.8	172.7	-170.1	-179.7	-162.7	0	0	111.5	V339 K340 F341 V345 R346 Q347 V386	V339-E343 WeakPolarHBondContact O-CB 3.43Å; V339-E343 PolarHBondContact O-N 3.27Å; K340-E343 WeakPolarHBondContact O-CB 3.15Å; K340-E343 PolarHBondContact O-N 2.83Å; F341-E343 VanDerWaalsContact C-N 3.31Å; F341-E343 PolarHBondContact O-N 3.06Å; E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 2.97Å; E343-R346 WeakPolarHBondContact O-CB 3.25Å; E343-R346 PolarHBondContact O-N 3.27Å; E343-R346 VanDerWaalsContact O-N 3.15Å; E343-Q347 WeakPolarHBondContact O-CG 3.32Å; E343-Q347 PolarHBondContact O-N 3.09Å; E343-V386 HydrophobicContact CB-CG1 3.85Å; E343-V386 HydrophobicContact CG-CG1 4.09Å
344	G	97.8	Very high	93.9	Very high	9 Å²	9	52.8 Å²	52.8	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-42.2	175.1	0	0	0	0	0	112.6	Y287 K340 F341 V342 Q347 E348	Y287-G344 WeakPolarHBondContact OH-CA 3.22Å; K340-G344 PolarHBondContact O-N 3Å; F341-G344 PolarHBondContact O-N 2.74Å; F341-G344 VanDerWaalsContact O-N 3.17Å; V342-G344 VanDerWaalsContact C-N 3.35Å; V342-G344 PolarHBondContact O-N 3.44Å; G344-Q347 PolarHBondContact O-N 2.81Å; G344-E348 PolarHBondContact O-N 3.04Å; G344-E348 VanDerWaalsContact O-N 3.11Å
345	V	98.2	Very high	95.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-46	171.9	171.6	0	0	0	0	111	Y287 I290 L303 F341 V342 E343 Q347 E348 I349 L362	Y287-V345 HydrophobicContact CE1-CG2 4.26Å; I290-V345 HydrophobicContact CD1-CB 4.31Å; I290-V345 HydrophobicContact CD1-CG1 3.76Å; I290-V345 HydrophobicContact CD1-CG2 4.04Å; L303-V345 HydrophobicContact CD1-CB 4.4Å; L303-V345 HydrophobicContact CD1-CG1 4.16Å; L303-V345 HydrophobicContact CD1-CG2 4.37Å; F341-V345 HydrophobicContact CE1-CG2 4.34Å; F341-V345 HydrophobicContact CE2-CG2 4.35Å; F341-V345 HydrophobicContact CZ-CG2 4.08Å; F341-V345 PolarHBondContact O-N 2.68Å; F341-V345 VanDerWaalsContact O-N 3.09Å; V342-V345 WeakPolarHBondContact O-CB 3.39Å; V342-V345 PolarHBondContact O-N 3.36Å; E343-V345 VanDerWaalsContact C-N 3.34Å; E343-V345 PolarHBondContact O-N 2.97Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 3.27Å; V345-E348 WeakPolarHBondContact O-CB 3.31Å; V345-E348 PolarHBondContact O-N 3.35Å; V345-E348 VanDerWaalsContact O-N 3.13Å; V345-I349 HydrophobicContact CG1-CD1 4.04Å; V345-I349 HydrophobicContact CG1-CG1 4.47Å; V345-I349 WeakPolarHBondContact O-CG1 3.37Å; V345-I349 PolarHBondContact O-N 3.48Å; V345-L362 HydrophobicContact CG1-CD1 3.85Å; V345-L362 HydrophobicContact CG1-CD2 4.25Å
346	R	98.3	Very high	95.9	Very high	23 Å²	23	60 Å²	60	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-39.6	177.5	-176	61.4	-87.9	-179.4	-7	112	V342 E343 I349 N350 K360 L362 V386 D388	V342-R346 PolarHBondContact O-N 3.17Å; E343-R346 WeakPolarHBondContact O-CB 3.25Å; E343-R346 PolarHBondContact O-N 3.27Å; E343-R346 VanDerWaalsContact O-N 3.15Å; R346-I349 VanDerWaalsContact NH2-CB 3.32Å; R346-I349 PolarHBondContact O-N 2.93Å; R346-N350 VanDerWaalsContact CZ-OD1 3.25Å; R346-N350 PolarHBondContact NE-OD1 3.49Å; R346-N350 PolarHBondContact NH2-OD1 3.11Å; R346-N350 WeakPolarHBondContact O-CB 3.19Å; R346-N350 PolarHBondContact O-N 3.03Å; R346-N350 PolarHBondContact O-ND2 3.25Å; R346-N350 PolarHBondContact O-OD1 2.98Å; R346-K360 PolarHBondContact NH1-O 2.98Å; R346-L362 HydrophobicContact CB-CD2 3.68Å; R346-L362 HydrophobicContact CG-CD2 4.33Å; R346-V386 WeakPolarHBondContact CD-O 3.35Å; R346-V386 WeakPolarHBondContact CG-O 3.24Å; R346-D388 IonicContact NH1-OD2 3.73Å; R346-D388 PolarHBondContact NH1-OD2 2.95Å
347	Q	97.9	Very high	96.3	Very high	111 Å²	111	57.5 Å²	57.5	52%	0.519	29%	0.292	S	S	.	.	H	α-helix	trans	-63.2	-41	175.6	-71	175.5	11.2	0	0	111.8	E343 G344 V345 N350 K351	E343-Q347 WeakPolarHBondContact O-CG 3.32Å; E343-Q347 PolarHBondContact O-N 3.09Å; G344-Q347 PolarHBondContact O-N 2.81Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 3.27Å; Q347-N350 WeakPolarHBondContact O-CB 3.44Å; Q347-N350 PolarHBondContact O-N 3.24Å; Q347-K351 PolarHBondContact O-N 3.45Å
348	E	97.7	Very high	96.5	Very high	22 Å²	22	61.4 Å²	61.4	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-46	175.9	-166.4	57	-142.6	0	0	111.5	Y287 I290 G344 V345 N350 K351	Y287-E348 HydrophobicContact CD1-CB 4.34Å; Y287-E348 HydrophobicContact CD1-CG 4.46Å; Y287-E348 HydrophobicContact CG-CG 4.33Å; I290-E348 HydrophobicContact CB-CG 4.49Å; I290-E348 HydrophobicContact CG2-CG 4.13Å; G344-E348 PolarHBondContact O-N 3.04Å; G344-E348 VanDerWaalsContact O-N 3.11Å; V345-E348 WeakPolarHBondContact O-CB 3.31Å; V345-E348 PolarHBondContact O-N 3.35Å; V345-E348 VanDerWaalsContact O-N 3.13Å; E348-N350 VanDerWaalsContact C-N 3.27Å; E348-N350 PolarHBondContact O-N 2.96Å; E348-K351 WeakPolarHBondContact O-CB 3.41Å; E348-K351 PolarHBondContact O-N 2.91Å; E348-K351 IonicContact OE1-NZ 3.61Å; E348-K351 WeakPolarHBondContact OE2-CE 3.36Å; E348-K351 IonicContact OE2-NZ 2.65Å; E348-K351 PolarHBondContact OE2-NZ 3.03Å
349	I	98.2	Very high	96.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-34.1	176.5	-56.9	177.1	0	0	0	111	I290 M294 V345 R346 K351 W352 I353 K360 L362	I290-I349 HydrophobicContact CG2-CG1 4.19Å; M294-I349 HydrophobicContact CE-CD1 4.19Å; M294-I349 HydrophobicContact CE-CG1 3.98Å; M294-I349 HydrophobicContact CE-CG2 3.99Å; V345-I349 HydrophobicContact CG1-CD1 4.04Å; V345-I349 HydrophobicContact CG1-CG1 4.47Å; V345-I349 WeakPolarHBondContact O-CG1 3.37Å; V345-I349 PolarHBondContact O-N 3.48Å; R346-I349 VanDerWaalsContact NH2-CB 3.32Å; R346-I349 PolarHBondContact O-N 2.93Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.17Å; I349-W352 WeakPolarHBondContact O-CB 3.49Å; I349-W352 PolarHBondContact O-N 3.21Å; I349-W352 VanDerWaalsContact O-N 3.14Å; I349-I353 PolarHBondContact O-N 2.68Å; I349-K360 HydrophobicContact CG2-CB 3.32Å; I349-K360 HydrophobicContact CG2-CG 4.08Å; I349-L362 HydrophobicContact CD1-CB 4.04Å; I349-L362 HydrophobicContact CD1-CD1 3.92Å; I349-L362 HydrophobicContact CD1-CD2 4.49Å; I349-L362 HydrophobicContact CD1-CG 4.37Å
350	N	97.9	Very high	96.8	Very high	76 Å²	76	64.3 Å²	64.3	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-30.5	177.2	-75.1	-16	0	0	0	113.3	R346 Q347 E348 W352 I353 K354	R346-N350 VanDerWaalsContact CZ-OD1 3.25Å; R346-N350 PolarHBondContact NE-OD1 3.49Å; R346-N350 PolarHBondContact NH2-OD1 3.11Å; R346-N350 WeakPolarHBondContact O-CB 3.19Å; R346-N350 PolarHBondContact O-N 3.03Å; R346-N350 PolarHBondContact O-ND2 3.25Å; R346-N350 PolarHBondContact O-OD1 2.98Å; Q347-N350 WeakPolarHBondContact O-CB 3.44Å; Q347-N350 PolarHBondContact O-N 3.24Å; E348-N350 VanDerWaalsContact C-N 3.27Å; E348-N350 PolarHBondContact O-N 2.96Å; N350-W352 VanDerWaalsContact C-N 3.35Å; N350-I353 PolarHBondContact O-N 2.74Å; N350-K354 WeakPolarHBondContact O-CB 3.34Å; N350-K354 PolarHBondContact O-N 3.2Å
351	K	97.5	Very high	97	Very high	108 Å²	108	59 Å²	59	47%	0.47	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-47.7	172.5	-62.3	172.5	-174.2	167.9	0	110.3	Q347 E348 I349 I353 K354 E355	Q347-K351 PolarHBondContact O-N 3.45Å; E348-K351 WeakPolarHBondContact O-CB 3.41Å; E348-K351 PolarHBondContact O-N 2.91Å; E348-K351 IonicContact OE1-NZ 3.61Å; E348-K351 WeakPolarHBondContact OE2-CE 3.36Å; E348-K351 IonicContact OE2-NZ 2.65Å; E348-K351 PolarHBondContact OE2-NZ 3.03Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.17Å; K351-I353 PolarHBondContact O-N 2.71Å; K351-K354 WeakPolarHBondContact O-CB 3.3Å; K351-K354 PolarHBondContact O-N 3.36Å; K351-E355 WeakPolarHBondContact O-CG 3.41Å; K351-E355 PolarHBondContact O-N 3.35Å
352	W	97	Very high	97.2	Very high	42 Å²	42	58.9 Å²	58.9	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-39.4	176.4	-80.2	94.4	0	0	0	113.7	D291 M294 K295 I349 N350 K354 E355 S356	D291-W352 VanDerWaalsContact OD1-CZ2 3.28Å; D291-W352 WeakPolarHBondContact OD1-CZ2 3.43Å; D291-W352 PolarHBondContact OD1-NE1 2.99Å; M294-W352 HydrophobicContact CB-CD2 3.55Å; M294-W352 HydrophobicContact CB-CE3 4.09Å; M294-W352 HydrophobicContact CB-CG 3.87Å; M294-W352 HydrophobicContact CB-CH2 4.31Å; M294-W352 HydrophobicContact CB-CZ2 3.79Å; M294-W352 HydrophobicContact CB-CZ3 4.44Å; M294-W352 HydrophobicContact CG-CD2 4.32Å; M294-W352 HydrophobicContact CG-CG 4.11Å; K295-W352 VanDerWaalsContact CA-CH2 3.48Å; K295-W352 HydrophobicContact CB-CH2 3.72Å; K295-W352 HydrophobicContact CB-CZ2 4.09Å; K295-W352 HydrophobicContact CG-CH2 4.33Å; I349-W352 WeakPolarHBondContact O-CB 3.49Å; I349-W352 PolarHBondContact O-N 3.21Å; I349-W352 VanDerWaalsContact O-N 3.14Å; N350-W352 VanDerWaalsContact C-N 3.35Å; W352-K354 VanDerWaalsContact C-N 3.33Å; W352-E355 PolarHBondContact O-N 3.39Å; W352-S356 VanDerWaalsContact O-CB 3.29Å; W352-S356 WeakPolarHBondContact O-CB 3.35Å; W352-S356 PolarHBondContact O-N 2.73Å; W352-S356 PolarHBondContact O-OG 3.24Å
353	I	97.4	Very high	97.2	Very high	52 Å²	52	58.9 Å²	58.9	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-60.6	-45.9	174.4	-66.7	-177.3	0	0	0	110.1	I349 N350 K351 E355 G357 K360	I349-I353 PolarHBondContact O-N 2.68Å; N350-I353 PolarHBondContact O-N 2.74Å; K351-I353 PolarHBondContact O-N 2.71Å; I353-E355 PolarHBondContact O-N 2.87Å; I353-G357 VanDerWaalsContact O-CA 3.29Å; I353-G357 WeakPolarHBondContact O-CA 3.39Å; I353-G357 PolarHBondContact O-N 2.69Å; I353-K360 HydrophobicContact CD1-CB 4.07Å; I353-K360 HydrophobicContact CG1-CB 3.83Å; I353-K360 HydrophobicContact CG1-CG 3.8Å
354	K	97.4	Very high	97.2	Very high	187 Å²	187	54.5 Å²	54.5	81%	0.813	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-41.5	-179.7	-175.3	-178	177.4	-175.6	0	112.2	N350 K351 W352	N350-K354 WeakPolarHBondContact O-CB 3.34Å; N350-K354 PolarHBondContact O-N 3.2Å; K351-K354 WeakPolarHBondContact O-CB 3.3Å; K351-K354 PolarHBondContact O-N 3.36Å; W352-K354 VanDerWaalsContact C-N 3.33Å
355	E	95	Very high	97.2	Very high	150 Å²	150	54.1 Å²	54.1	70%	0.701	27%	0.266	S	S	*	.	H	α-helix	trans	-74.4	-43.6	-178.7	-71.9	176.3	-174.8	0	0	112.9	K351 W352 I353	K351-E355 WeakPolarHBondContact O-CG 3.41Å; K351-E355 PolarHBondContact O-N 3.35Å; W352-E355 PolarHBondContact O-N 3.39Å; I353-E355 PolarHBondContact O-N 2.87Å
356	S	93.9	Very high	96.9	Very high	48 Å²	48	54.1 Å²	54.1	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-88.5	-20.6	-175.3	68.9	0	0	0	0	114.1	W352 R358	W352-S356 VanDerWaalsContact O-CB 3.29Å; W352-S356 WeakPolarHBondContact O-CB 3.35Å; W352-S356 PolarHBondContact O-N 2.73Å; W352-S356 PolarHBondContact O-OG 3.24Å; S356-R358 PolarHBondContact O-N 3.39Å; S356-R358 PolarHBondContact OG-N 3.14Å
357	G	94.6	Very high	96.5	Very high	70 Å²	70	53.1 Å²	53.1	72%	0.722	26%	0.263	S	S	*	.			trans	66.4	11.4	-170.3	0	0	0	0	0	114.1	I353	I353-G357 VanDerWaalsContact O-CA 3.29Å; I353-G357 WeakPolarHBondContact O-CA 3.39Å; I353-G357 PolarHBondContact O-N 2.69Å
358	R	94.6	Very high	95.9	Very high	160 Å²	160	47.9 Å²	47.9	60%	0.604	24%	0.239	S	C	*	.			trans	-105.3	143.9	-177.5	-62.7	180	-177.9	-178.7	1.5	110.8	S356	S356-R358 PolarHBondContact O-N 3.39Å; S356-R358 PolarHBondContact OG-N 3.14Å
359	E	96.5	Very high	95.3	Very high	78 Å²	78	47 Å²	47	36%	0.364	23%	0.234	S	C	.	.			trans	-64.2	141.1	173.5	-61.2	172.9	164.4	0	0	110.6	P119 F120 W121	P119-E359 VanDerWaalsContact CA-OE2 3.31Å; P119-E359 WeakPolarHBondContact CA-OE2 3.4Å; F120-E359 HydrophobicContact CD1-CB 4.49Å; F120-E359 PolarHBondContact N-OE2 2.7Å; W121-E359 HydrophobicContact CH2-CB 4.27Å; W121-E359 HydrophobicContact CZ3-CB 4.01Å
360	K	98.2	Very high	94.4	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.039	24%	0.236	C	C	.	.			trans	-136.2	119.8	176.2	-61	-65.8	-175.1	177.1	0	110.1	M294 I298 D299 R346 I349 I353	M294-K360 HydrophobicContact SD-CD 3.85Å; M294-K360 HydrophobicContact SD-CG 4.3Å; I298-K360 PolarHBondContact O-NZ 2.73Å; D299-K360 VanDerWaalsContact O-CA 3.3Å; D299-K360 WeakPolarHBondContact O-CA 3.37Å; R346-K360 PolarHBondContact NH1-O 2.98Å; I349-K360 HydrophobicContact CG2-CB 3.32Å; I349-K360 HydrophobicContact CG2-CG 4.08Å; I353-K360 HydrophobicContact CD1-CB 4.07Å; I353-K360 HydrophobicContact CG1-CB 3.83Å; I353-K360 HydrophobicContact CG1-CG 3.8Å
361	L	98.6	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.6	-177.9	172	55.9	0	0	0	110.7	F120 W121 Y163 I215 D299 G300 I301 A363 D388 L389	F120-L361 HydrophobicContact CE2-CD2 4.36Å; F120-L361 HydrophobicContact CZ-CB 3.87Å; F120-L361 HydrophobicContact CZ-CD2 4.4Å; W121-L361 HydrophobicContact CB-CD1 4.45Å; W121-L361 HydrophobicContact CB-CD2 4.11Å; W121-L361 HydrophobicContact CD2-CB 4.33Å; W121-L361 HydrophobicContact CD2-CD1 3.88Å; W121-L361 HydrophobicContact CE3-CB 3.74Å; W121-L361 HydrophobicContact CE3-CD1 4.17Å; W121-L361 HydrophobicContact CE3-CG 4.37Å; W121-L361 HydrophobicContact CG-CD1 4.01Å; W121-L361 HydrophobicContact CG-CD2 4.49Å; W121-L361 HydrophobicContact CZ3-CB 3.89Å; Y163-L361 HydrophobicContact CE2-CD2 4.38Å; I215-L361 HydrophobicContact CG1-CD2 3.86Å; D299-L361 PolarHBondContact O-N 2.97Å; G300-L361 CarbonylContact C-O 3.57Å; G300-L361 WeakPolarHBondContact CA-O 3.29Å; I301-L361 PolarHBondContact N-O 2.87Å; L361-A363 HydrophobicContact CD1-CB 4.43Å; L361-A363 HydrophobicContact CG-CB 4.41Å; L361-D388 HydrophobicContact CD1-CB 3.74Å; L361-L389 HydrophobicContact CD1-CB 3.94Å
362	L	98.8	Very high	92.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.6	159.5	-179.5	58.5	0	0	0	109.6	L303 V342 V345 R346 I349 D388 L389	L303-L362 HydrophobicContact CD1-CD1 3.89Å; L303-L362 HydrophobicContact CG-CD1 3.89Å; V342-L362 HydrophobicContact CG1-CD2 3.98Å; V345-L362 HydrophobicContact CG1-CD1 3.85Å; V345-L362 HydrophobicContact CG1-CD2 4.25Å; R346-L362 HydrophobicContact CB-CD2 3.68Å; R346-L362 HydrophobicContact CG-CD2 4.33Å; I349-L362 HydrophobicContact CD1-CB 4.04Å; I349-L362 HydrophobicContact CD1-CD1 3.92Å; I349-L362 HydrophobicContact CD1-CD2 4.49Å; I349-L362 HydrophobicContact CD1-CG 4.37Å; L362-D388 PolarHBondContact N-OD2 3.11Å; L362-D388 PolarHBondContact O-N 3.19Å; L362-L389 PolarHBondContact O-N 2.79Å
363	A	98.6	Very high	92	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.2	174.7	0	0	0	0	0	111.1	I301 L302 L303 L361 L389	I301-A363 PolarHBondContact O-N 3.01Å; L302-A363 CarbonylContact C-O 3.33Å; L302-A363 WeakPolarHBondContact CA-O 3.22Å; L302-A363 HydrophobicContact CB-CB 4.09Å; L302-A363 HydrophobicContact CD1-CB 4.21Å; L302-A363 HydrophobicContact CG-CB 4.1Å; L303-A363 PolarHBondContact N-O 2.9Å; L361-A363 HydrophobicContact CD1-CB 4.43Å; L361-A363 HydrophobicContact CG-CB 4.41Å; A363-L389 CarbonylContact C-O 3.44Å; A363-L389 VanDerWaalsContact CA-O 3.23Å; A363-L389 WeakPolarHBondContact CA-O 3.49Å; A363-L389 HydrophobicContact CB-CB 4.04Å; A363-L389 HydrophobicContact CB-CD2 3.96Å
364	V	97.7	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.4	173	-63.7	0	0	0	0	110.7	L303 A306 V342 M380 F383 A387 L389 I390 I391	L303-V364 HydrophobicContact CB-CG1 4.24Å; L303-V364 HydrophobicContact CD1-CG1 4.44Å; L303-V364 WeakPolarHBondContact O-CA 3.3Å; A306-V364 HydrophobicContact CB-CB 4.17Å; V342-V364 HydrophobicContact CG1-CG1 4.09Å; V342-V364 HydrophobicContact CG2-CG1 4.45Å; V364-M380 HydrophobicContact CB-CE 3.99Å; V364-M380 HydrophobicContact CG2-CE 3.55Å; V364-F383 HydrophobicContact CG2-CB 3.9Å; V364-F383 HydrophobicContact CG2-CD2 4.28Å; V364-F383 HydrophobicContact CG2-CG 4.21Å; V364-A387 HydrophobicContact CG1-CB 3.94Å; V364-A387 HydrophobicContact CG2-CB 3.97Å; V364-L389 PolarHBondContact N-O 3.24Å; V364-I390 HydrophobicContact CG2-CB 4.14Å; V364-I390 HydrophobicContact CG2-CG1 3.65Å; V364-I390 HydrophobicContact CG2-CG2 4.23Å; V364-I391 WeakPolarHBondContact O-CG1 3.4Å; V364-I391 PolarHBondContact O-N 2.83Å
365	N	96.1	Very high	90.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	17%	0.165	C	C	.	.			trans	-121.1	139.7	171.9	-177.8	40.7	0	0	0	109.6	W128 L302 L303 D304 N305 A306 G367 I391	W128-N365 HydrophobicContact CH2-CB 4.36Å; L302-N365 HydrophobicContact CD2-CB 3.85Å; L302-N365 HydrophobicContact CG-CB 4.47Å; L303-N365 PolarHBondContact O-N 2.75Å; D304-N365 PolarHBondContact OD1-ND2 2.75Å; N305-N365 PolarHBondContact N-O 2.91Å; A306-N365 VanDerWaalsContact CB-O 3.27Å; A306-N365 WeakPolarHBondContact CB-O 3.25Å; A306-N365 PolarHBondContact N-O 3.43Å; N365-G367 PolarHBondContact ND2-N 2.83Å; N365-G367 PolarHBondContact O-N 2.92Å; N365-I391 HydrophobicContact CB-CB 4.21Å; N365-I391 HydrophobicContact CB-CG1 3.86Å; N365-I391 WeakPolarHBondContact OD1-CB 3.45Å; N365-I391 WeakPolarHBondContact OD1-CG2 3.14Å
366	S	91.9	Very high	90.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.			trans	-63.6	-28.5	177.1	60.5	0	0	0	0	112.5	N305 A307 R393	N305-S366 WeakPolarHBondContact CA-O 3.45Å; A307-S366 WeakPolarHBondContact CB-O 3.35Å; S366-R393 VanDerWaalsContact OG-CD 3.3Å; S366-R393 WeakPolarHBondContact OG-CD 3.27Å
367	G	90.2	Very high	89.9	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.021	17%	0.174	C	C	.	.			trans	70.4	-164.1	-166.7	0	0	0	0	0	112.4	N305 N365 T369	N305-G367 WeakPolarHBondContact OD1-CA 3.47Å; N365-G367 PolarHBondContact ND2-N 2.83Å; N365-G367 PolarHBondContact O-N 2.92Å; G367-T369 PolarHBondContact O-N 2.83Å
368	D	86.4	Confident	89.6	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.141	C	C	.	.			trans	-80.9	80.2	-177	-172.4	2.4	0	0	0	112.8	R250 Y251 G370 N435	R250-D368 WeakPolarHBondContact CD-O 3.29Å; R250-D368 IonicContact CZ-OD1 2.74Å; R250-D368 IonicContact CZ-OD2 3.73Å; R250-D368 PolarHBondContact NE-O 3.23Å; R250-D368 IonicContact NE-OD1 2.75Å; R250-D368 PolarHBondContact NE-OD1 3.04Å; R250-D368 IonicContact NE-OD2 2.62Å; R250-D368 IonicContact NH2-OD1 3.49Å; R250-D368 PolarHBondContact NH2-OD1 3.01Å; R250-D368 IonicContact NH2-OD2 3.8Å; R250-D368 PolarHBondContact NH2-OD2 3.1Å; Y251-D368 WeakPolarHBondContact CE1-OD2 3.37Å; Y251-D368 PolarHBondContact OH-OD2 2.88Å; D368-G370 PolarHBondContact O-N 3.28Å; D368-G370 PolarHBondContact OD1-N 2.95Å; D368-G370 VanDerWaalsContact OD1-N 3.08Å; D368-N435 HydrophobicContact CB-CB 3.9Å
369	T	84	Confident	89.2	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.012	12%	0.124	C	C	.	.			trans	-67.1	-18.3	175.3	67.2	0	0	0	0	113.7	A307 F308 W324 G367 C371 R393	A307-T369 HydrophobicContact CB-CG2 3.8Å; F308-T369 HydrophobicContact CZ-CG2 4.43Å; W324-T369 PolarHBondContact NE1-O 2.83Å; G367-T369 PolarHBondContact O-N 2.83Å; T369-C371 PolarHBondContact O-N 3.31Å; T369-C371 VanDerWaalsContact O-N 3.17Å; T369-C371 PolarHBondContact OG1-N 2.76Å; T369-C371 PolarHBondContact OG1-O 2.63Å; T369-R393 PolarHBondContact OG1-NH1 2.63Å
370	G	80.1	Confident	89	Confident	3 Å²	3	16.7 Å²	16.7	3%	0.031	11%	0.107	C	C	.	.	S	Bend	trans	68.1	-4.2	-167.5	0	0	0	0	0	114.8	R250 D368 S402	R250-G370 VanDerWaalsContact CZ-CA 3.47Å; R250-G370 VanDerWaalsContact NE-CA 3.34Å; R250-G370 VanDerWaalsContact NE-N 3.18Å; D368-G370 PolarHBondContact O-N 3.28Å; D368-G370 PolarHBondContact OD1-N 2.95Å; D368-G370 VanDerWaalsContact OD1-N 3.08Å; G370-S402 VanDerWaalsContact CA-OG 3.32Å; G370-S402 WeakPolarHBondContact CA-OG 3.32Å; G370-S402 PolarHBondContact O-N 2.82Å; G370-S402 VanDerWaalsContact O-N 3.11Å
371	C	78	Confident	88.7	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.007	11%	0.111	C	C	.	.			trans	-119.3	124.7	-174.4	-67.2	0	0	0	0	110	C328 T369 R393	C328-C371 WeakPolarHBondContact CA-SG 3.24Å; C328-C371 HydrophobicContact CB-CB 3.83Å; C328-C371 WeakPolarHBondContact CB-SG 3.17Å; C328-C371 WeakPolarHBondContact SG-CB 3.32Å; C328-C371 CovalentContact SG-SG 2.04Å; C328-C371 PolarHBondContact SG-SG 2.7Å; T369-C371 PolarHBondContact O-N 3.31Å; T369-C371 VanDerWaalsContact O-N 3.17Å; T369-C371 PolarHBondContact OG1-N 2.76Å; T369-C371 PolarHBondContact OG1-O 2.63Å; C371-R393 PolarHBondContact O-NH1 3.04Å
372	G	80.7	Confident	88.4	Confident	11 Å²	11	19.8 Å²	19.8	11%	0.113	12%	0.123	C	C	.	.			trans	-71.7	155.6	175.7	0	0	0	0	0	111.3	G374 R399 G401	G372-G374 PolarHBondContact O-N 3.17Å; G372-R399 CarbonylContact C-O 3.34Å; G372-R399 WeakPolarHBondContact CA-O 3.29Å; G372-G401 VanDerWaalsContact CA-N 3.29Å
373	V	83.9	Confident	88.2	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.018	12%	0.123	C	C	.	.			trans	-78.5	120.7	173.9	-156.6	0	0	0	0	109	D378 R393 R399 F408	V373-D378 HydrophobicContact CG1-CB 3.84Å; V373-R393 HydrophobicContact CG2-CB 3.48Å; V373-R393 VanDerWaalsContact CG2-CB 3.48Å; V373-R393 HydrophobicContact CG2-CG 4.27Å; V373-R393 VanDerWaalsContact CG2-CZ 3.43Å; V373-R399 PolarHBondContact N-O 2.91Å; V373-R399 WeakPolarHBondContact O-CD 3.43Å; V373-F408 WeakPolarHBondContact O-CE1 3.14Å
374	G	83.4	Confident	88	Confident	32 Å²	32	20.6 Å²	20.6	33%	0.33	13%	0.128	S	C	.	.			trans	-74.8	-164.5	173.7	0	0	0	0	0	112.7	G372 N376 K415	G372-G374 PolarHBondContact O-N 3.17Å; G374-N376 PolarHBondContact O-N 3.31Å; G374-K415 WeakPolarHBondContact O-CE 3.47Å
375	D	85	Confident	87.8	Confident	29 Å²	29	27.2 Å²	27.2	16%	0.155	16%	0.164	C	C	.	.	S	Bend	trans	-77.1	-7.3	-177.2	-68.7	-45.9	0	0	0	115	R399 D409 K410 K415	D375-R399 IonicContact OD1-NH1 3.14Å; D375-R399 PolarHBondContact OD1-NH1 2.99Å; D375-D409 WeakPolarHBondContact OD2-CB 3.27Å; D375-D409 PolarHBondContact OD2-N 3.08Å; D375-K410 HydrophobicContact CB-CD 4.11Å; D375-K410 HydrophobicContact CB-CG 4.46Å; D375-K410 WeakPolarHBondContact OD1-CB 3.22Å; D375-K415 WeakPolarHBondContact O-CD 3.38Å; D375-K415 WeakPolarHBondContact O-CE 3.36Å; D375-K415 PolarHBondContact O-NZ 3.22Å
376	N	84.7	Confident	87.8	Confident	131 Å²	131	28 Å²	28	70%	0.701	17%	0.169	S	C	*	.	S	Bend	trans	-76.4	148.6	171.7	-67.2	-32.4	0	0	0	111	G374 D378 K415	G374-N376 PolarHBondContact O-N 3.31Å; N376-D378 PolarHBondContact O-N 2.85Å; N376-K415 WeakPolarHBondContact O-CE 3.36Å; N376-K415 PolarHBondContact O-NZ 3.43Å
377	P	85.3	Confident	88.1	Confident	81 Å²	81	28.2 Å²	28.2	53%	0.526	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-48.2	136.6	177.9	-27.7	35.6	0	0	0	111.9	P379 L381 Y419	P377-P379 WeakPolarHBondContact O-CD 3.26Å; P377-L381 HydrophobicContact CB-CD1 4.24Å; P377-Y419 HydrophobicContact CB-CE1 4.23Å
378	D	88.1	Confident	88.4	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.027	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-57.1	122.9	179	-168.7	-28.6	0	0	0	109.5	V373 N376 M380 L381 R393 Y419	V373-D378 HydrophobicContact CG1-CB 3.84Å; N376-D378 PolarHBondContact O-N 2.85Å; D378-M380 PolarHBondContact O-N 2.88Å; D378-M380 VanDerWaalsContact OD1-CB 3.31Å; D378-M380 WeakPolarHBondContact OD1-CB 3.45Å; D378-M380 WeakPolarHBondContact OD1-CG 3.32Å; D378-M380 PolarHBondContact OD1-N 3.19Å; D378-L381 WeakPolarHBondContact O-CB 3.41Å; D378-L381 WeakPolarHBondContact O-CG 3.14Å; D378-L381 PolarHBondContact O-N 3.39Å; D378-R393 IonicContact OD1-CZ 3.26Å; D378-R393 IonicContact OD1-NE 3.85Å; D378-R393 IonicContact OD1-NH2 3.52Å; D378-R393 PolarHBondContact OD1-NH2 3.22Å; D378-R393 IonicContact OD2-CZ 3.71Å; D378-R393 IonicContact OD2-NE 3.84Å; D378-R393 PolarHBondContact OD2-NE 2.85Å; D378-R393 IonicContact OD2-NH2 3.36Å; D378-R393 PolarHBondContact OD2-NH2 2.87Å; D378-Y419 PolarHBondContact N-OH 2.91Å; D378-Y419 VanDerWaalsContact N-OH 3.08Å
379	P	87.6	Confident	89	Confident	39 Å²	39	30.2 Å²	30.2	25%	0.253	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-54.4	-23.9	176.6	-27.8	35.6	0	0	0	114.3	N330 Y334 P377 L381 M382	N330-P379 HydrophobicContact CB-CG 4.44Å; Y334-P379 HydrophobicContact CD1-CB 4.21Å; Y334-P379 HydrophobicContact CD2-CB 3.37Å; Y334-P379 HydrophobicContact CD2-CG 4.01Å; Y334-P379 HydrophobicContact CE1-CB 4.43Å; Y334-P379 HydrophobicContact CE2-CB 3.64Å; Y334-P379 HydrophobicContact CE2-CG 4.05Å; Y334-P379 HydrophobicContact CG-CB 3.67Å; P377-P379 WeakPolarHBondContact O-CD 3.26Å; P379-L381 PolarHBondContact O-N 2.98Å; P379-M382 WeakPolarHBondContact O-CB 3.3Å; P379-M382 WeakPolarHBondContact O-CG 3.02Å; P379-M382 PolarHBondContact O-N 3.27Å
380	M	91	Very high	89.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-56.2	-20.9	173.3	-76.1	-62.4	-55.1	0	0	113.5	A306 Y334 V364 D378 M382 F383 I390	A306-M380 HydrophobicContact CB-CE 4.37Å; Y334-M380 HydrophobicContact CE1-CG 4.11Å; Y334-M380 HydrophobicContact CE1-SD 3.5Å; Y334-M380 VanDerWaalsContact CE1-SD 3.5Å; V364-M380 HydrophobicContact CB-CE 3.99Å; V364-M380 HydrophobicContact CG2-CE 3.55Å; D378-M380 PolarHBondContact O-N 2.88Å; D378-M380 VanDerWaalsContact OD1-CB 3.31Å; D378-M380 WeakPolarHBondContact OD1-CB 3.45Å; D378-M380 WeakPolarHBondContact OD1-CG 3.32Å; D378-M380 PolarHBondContact OD1-N 3.19Å; M380-M382 PolarHBondContact O-N 3.18Å; M380-M382 VanDerWaalsContact O-N 3.11Å; M380-F383 HydrophobicContact CE-CD2 3.59Å; M380-F383 HydrophobicContact CE-CE2 3.87Å; M380-F383 WeakPolarHBondContact O-CD2 3.49Å; M380-F383 PolarHBondContact O-N 3.37Å; M380-F383 VanDerWaalsContact O-N 3.13Å; M380-F383 HydrophobicContact SD-CD2 4.06Å; M380-F383 HydrophobicContact SD-CE2 3.87Å; M380-I390 HydrophobicContact CB-CG2 3.61Å; M380-I390 HydrophobicContact CE-CG2 3.99Å; M380-I390 HydrophobicContact CG-CG2 4.5Å
381	L	92.4	Very high	90.5	Very high	24 Å²	24	30 Å²	30	13%	0.126	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.6	-18.2	173.4	-73.2	-177.5	0	0	0	113.7	P377 D378 P379 F383 S384 Y419 D423 L427	P377-L381 HydrophobicContact CB-CD1 4.24Å; D378-L381 WeakPolarHBondContact O-CB 3.41Å; D378-L381 WeakPolarHBondContact O-CG 3.14Å; D378-L381 PolarHBondContact O-N 3.39Å; P379-L381 PolarHBondContact O-N 2.98Å; L381-F383 PolarHBondContact O-N 3.31Å; L381-F383 VanDerWaalsContact O-N 3.08Å; L381-S384 WeakPolarHBondContact O-CB 3.46Å; L381-S384 PolarHBondContact O-N 2.93Å; L381-S384 PolarHBondContact O-OG 3.49Å; L381-Y419 HydrophobicContact CD1-CD1 3.68Å; L381-Y419 HydrophobicContact CD1-CE1 3.49Å; L381-Y419 VanDerWaalsContact CD1-CE1 3.49Å; L381-Y419 HydrophobicContact CG-CE1 4.31Å; L381-D423 HydrophobicContact CD1-CB 4.45Å; L381-D423 HydrophobicContact CD2-CB 3.98Å; L381-L427 HydrophobicContact CD2-CD2 4Å
382	M	91.7	Very high	91.3	Very high	51 Å²	51	30 Å²	30	25%	0.251	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-58	-23.7	173.8	74.7	-173.8	-47.4	0	0	113.5	Y334 G335 V339 P379 M380 S384	Y334-M382 HydrophobicContact CD1-SD 3.84Å; Y334-M382 HydrophobicContact CG-SD 4.16Å; G335-M382 WeakPolarHBondContact O-CE 3.15Å; V339-M382 HydrophobicContact CG2-CB 4.08Å; V339-M382 HydrophobicContact CG2-CE 3.65Å; V339-M382 HydrophobicContact CG2-CG 3.69Å; V339-M382 WeakPolarHBondContact CG2-O 3.32Å; V339-M382 HydrophobicContact CG2-SD 4.16Å; P379-M382 WeakPolarHBondContact O-CB 3.3Å; P379-M382 WeakPolarHBondContact O-CG 3.02Å; P379-M382 PolarHBondContact O-N 3.27Å; M380-M382 PolarHBondContact O-N 3.18Å; M380-M382 VanDerWaalsContact O-N 3.11Å; M382-S384 VanDerWaalsContact C-N 3.28Å
383	F	95.1	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-85.1	-0.2	177.8	-61	-71.4	0	0	0	113	A306 Y334 V339 V342 V364 M380 L381 D385 V386 A387 I390	A306-F383 HydrophobicContact CB-CE2 4.38Å; A306-F383 HydrophobicContact CB-CZ 4.36Å; Y334-F383 HydrophobicContact CD1-CE2 4.36Å; V339-F383 HydrophobicContact CG2-CD1 3.84Å; V339-F383 HydrophobicContact CG2-CE1 3.91Å; V342-F383 HydrophobicContact CB-CD1 4.15Å; V342-F383 HydrophobicContact CB-CE1 4.37Å; V342-F383 HydrophobicContact CG1-CD1 4.4Å; V342-F383 HydrophobicContact CG2-CD1 3.83Å; V342-F383 HydrophobicContact CG2-CE1 3.68Å; V364-F383 HydrophobicContact CG2-CB 3.9Å; V364-F383 HydrophobicContact CG2-CD2 4.28Å; V364-F383 HydrophobicContact CG2-CG 4.21Å; M380-F383 HydrophobicContact CE-CD2 3.59Å; M380-F383 HydrophobicContact CE-CE2 3.87Å; M380-F383 WeakPolarHBondContact O-CD2 3.49Å; M380-F383 PolarHBondContact O-N 3.37Å; M380-F383 VanDerWaalsContact O-N 3.13Å; M380-F383 HydrophobicContact SD-CD2 4.06Å; M380-F383 HydrophobicContact SD-CE2 3.87Å; L381-F383 PolarHBondContact O-N 3.31Å; L381-F383 VanDerWaalsContact O-N 3.08Å; F383-D385 PolarHBondContact O-N 3.06Å; F383-D385 VanDerWaalsContact O-N 3.15Å; F383-V386 HydrophobicContact CB-CG2 4.34Å; F383-V386 HydrophobicContact CD1-CG2 4.39Å; F383-V386 WeakPolarHBondContact O-CG2 3.42Å; F383-V386 PolarHBondContact O-N 2.99Å; F383-V386 VanDerWaalsContact O-N 3.11Å; F383-A387 HydrophobicContact CB-CB 4.39Å; F383-A387 WeakPolarHBondContact O-CB 3.21Å; F383-A387 PolarHBondContact O-N 2.92Å; F383-I390 HydrophobicContact CB-CD1 4.33Å; F383-I390 HydrophobicContact CB-CG1 4.4Å
384	S	93.8	Very high	92.2	Very high	16 Å²	16	29.5 Å²	29.5	11%	0.112	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.3	-172.6	61.6	0	0	0	0	111.5	L381 M382 V386 K426	L381-S384 WeakPolarHBondContact O-CB 3.46Å; L381-S384 PolarHBondContact O-N 2.93Å; L381-S384 PolarHBondContact O-OG 3.49Å; M382-S384 VanDerWaalsContact C-N 3.28Å; S384-V386 VanDerWaalsContact C-N 3.27Å; S384-V386 PolarHBondContact O-N 3.35Å; S384-K426 VanDerWaalsContact O-CD 3.23Å; S384-K426 WeakPolarHBondContact O-CD 3.4Å; S384-K426 VanDerWaalsContact O-CE 3.31Å; S384-K426 WeakPolarHBondContact O-CE 3.42Å; S384-K426 PolarHBondContact O-NZ 3.05Å
385	D	93.9	Very high	92.7	Very high	140 Å²	140	28 Å²	28	75%	0.749	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.8	-172.6	-64.6	-14.8	0	0	0	113.5	F383	F383-D385 PolarHBondContact O-N 3.06Å; F383-D385 VanDerWaalsContact O-N 3.15Å
386	V	96.4	Very high	93	Very high	17 Å²	17	26.7 Å²	26.7	10%	0.103	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-27.5	-174.1	-62.9	0	0	0	0	113.7	V339 V342 E343 R346 F383 S384	V339-V386 HydrophobicContact CG1-CG1 4.15Å; V339-V386 HydrophobicContact CG1-CG2 4.15Å; V342-V386 HydrophobicContact CB-CG2 4.03Å; V342-V386 HydrophobicContact CG1-CB 4.3Å; V342-V386 HydrophobicContact CG1-CG2 3.61Å; E343-V386 HydrophobicContact CB-CG1 3.85Å; E343-V386 HydrophobicContact CG-CG1 4.09Å; R346-V386 WeakPolarHBondContact CD-O 3.35Å; R346-V386 WeakPolarHBondContact CG-O 3.24Å; F383-V386 HydrophobicContact CB-CG2 4.34Å; F383-V386 HydrophobicContact CD1-CG2 4.39Å; F383-V386 WeakPolarHBondContact O-CG2 3.42Å; F383-V386 PolarHBondContact O-N 2.99Å; F383-V386 VanDerWaalsContact O-N 3.11Å; S384-V386 VanDerWaalsContact C-N 3.27Å; S384-V386 PolarHBondContact O-N 3.35Å
387	A	97.8	Very high	93.1	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	13%	0.13	C	C	.	.			trans	-101.9	145	178	0	0	0	0	0	111.5	V364 F383 I390	V364-A387 HydrophobicContact CG1-CB 3.94Å; V364-A387 HydrophobicContact CG2-CB 3.97Å; F383-A387 HydrophobicContact CB-CB 4.39Å; F383-A387 WeakPolarHBondContact O-CB 3.21Å; F383-A387 PolarHBondContact O-N 2.92Å; A387-I390 HydrophobicContact CB-CG1 4.49Å
388	D	98.1	Very high	93.2	Very high	45 Å²	45	21.7 Å²	21.7	24%	0.241	12%	0.115	C	C	.	.	S	Bend	trans	-80.9	-23.4	176.9	-56.3	-70.8	0	0	0	112	W121 R346 L361 L362	W121-D388 HydrophobicContact CZ2-CB 3.81Å; R346-D388 IonicContact NH1-OD2 3.73Å; R346-D388 PolarHBondContact NH1-OD2 2.95Å; L361-D388 HydrophobicContact CD1-CB 3.74Å; L362-D388 PolarHBondContact N-OD2 3.11Å; L362-D388 PolarHBondContact O-N 3.19Å
389	L	98.2	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	133.1	-177.9	-172.8	156.5	0	0	0	110.8	L361 L362 A363 V364 I391 K426 L454 I456	L361-L389 HydrophobicContact CD1-CB 3.94Å; L362-L389 PolarHBondContact O-N 2.79Å; A363-L389 CarbonylContact C-O 3.44Å; A363-L389 VanDerWaalsContact CA-O 3.23Å; A363-L389 WeakPolarHBondContact CA-O 3.49Å; A363-L389 HydrophobicContact CB-CB 4.04Å; A363-L389 HydrophobicContact CB-CD2 3.96Å; V364-L389 PolarHBondContact N-O 3.24Å; L389-I391 HydrophobicContact CD2-CD1 3.61Å; L389-I391 HydrophobicContact CD2-CG1 4.23Å; L389-K426 CarbonylContact C-O 3.59Å; L389-K426 WeakPolarHBondContact CA-O 3.37Å; L389-L454 HydrophobicContact CB-CD1 3.93Å; L389-L454 HydrophobicContact CD1-CB 3.93Å; L389-L454 HydrophobicContact CD1-CD1 3.66Å; L389-L454 HydrophobicContact CD1-CG 4.43Å; L389-L454 HydrophobicContact CG-CB 4.47Å; L389-L454 HydrophobicContact CG-CD1 3.68Å; L389-I456 HydrophobicContact CD1-CD1 3.93Å; L389-I456 HydrophobicContact CD2-CD1 3.93Å
390	I	97.4	Very high	93.1	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.8	175.4	-63.1	163.6	0	0	0	108.4	V364 M380 F383 A387 S392 K426 L427 G428	V364-I390 HydrophobicContact CG2-CB 4.14Å; V364-I390 HydrophobicContact CG2-CG1 3.65Å; V364-I390 HydrophobicContact CG2-CG2 4.23Å; M380-I390 HydrophobicContact CB-CG2 3.61Å; M380-I390 HydrophobicContact CE-CG2 3.99Å; M380-I390 HydrophobicContact CG-CG2 4.5Å; F383-I390 HydrophobicContact CB-CD1 4.33Å; F383-I390 HydrophobicContact CB-CG1 4.4Å; A387-I390 HydrophobicContact CB-CG1 4.49Å; I390-S392 PolarHBondContact O-N 3.25Å; I390-S392 VanDerWaalsContact O-N 3.13Å; I390-K426 PolarHBondContact N-O 3.37Å; I390-L427 CarbonylContact O-C 3.51Å; I390-L427 WeakPolarHBondContact O-CA 3.36Å; I390-G428 PolarHBondContact O-N 3.34Å
391	I	97.2	Very high	92.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	118.3	176.7	-58.3	-64.2	0	0	0	109.2	W128 L302 V364 N365 L389 T430 T433 I456	W128-I391 HydrophobicContact CE3-CD1 4.5Å; W128-I391 HydrophobicContact CZ3-CD1 4.12Å; W128-I391 HydrophobicContact CZ3-CG1 4.22Å; W128-I391 HydrophobicContact CZ3-CG2 4.35Å; L302-I391 HydrophobicContact CD1-CD1 4.19Å; L302-I391 HydrophobicContact CD1-CG1 4.13Å; V364-I391 WeakPolarHBondContact O-CG1 3.4Å; V364-I391 PolarHBondContact O-N 2.83Å; N365-I391 HydrophobicContact CB-CB 4.21Å; N365-I391 HydrophobicContact CB-CG1 3.86Å; N365-I391 WeakPolarHBondContact OD1-CB 3.45Å; N365-I391 WeakPolarHBondContact OD1-CG2 3.14Å; L389-I391 HydrophobicContact CD2-CD1 3.61Å; L389-I391 HydrophobicContact CD2-CG1 4.23Å; I391-T430 HydrophobicContact CG2-CG2 4.13Å; I391-T433 HydrophobicContact CG2-CG2 3.99Å; I391-I456 HydrophobicContact CD1-CD1 3.42Å; I391-I456 VanDerWaalsContact CD1-CD1 3.42Å
392	S	95.1	Very high	91.6	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	10%	0.102	C	C	.	.			trans	-80.6	132.5	176.2	-179.2	0	0	0	0	109.9	I390 E394 G428	I390-S392 PolarHBondContact O-N 3.25Å; I390-S392 VanDerWaalsContact O-N 3.13Å; S392-E394 WeakPolarHBondContact OG-CB 3.37Å; S392-E394 VanDerWaalsContact OG-CG 3.27Å; S392-E394 WeakPolarHBondContact OG-CG 3.32Å; S392-E394 PolarHBondContact OG-N 3.07Å; S392-G428 VanDerWaalsContact CB-O 3.24Å; S392-G428 WeakPolarHBondContact CB-O 3.47Å; S392-G428 PolarHBondContact N-O 3.45Å
393	R	92	Very high	90.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	12%	0.123	C	C	.	.			trans	-91.6	1.4	172.6	-66.9	178.2	-75.5	178.7	-3.9	113.1	Y334 S366 T369 C371 V373 D378 F395 V396 R399	Y334-R393 PolarHBondContact OH-NH2 2.86Å; Y334-R393 VanDerWaalsContact OH-NH2 3.13Å; S366-R393 VanDerWaalsContact OG-CD 3.3Å; S366-R393 WeakPolarHBondContact OG-CD 3.27Å; T369-R393 PolarHBondContact OG1-NH1 2.63Å; C371-R393 PolarHBondContact O-NH1 3.04Å; V373-R393 HydrophobicContact CG2-CB 3.48Å; V373-R393 VanDerWaalsContact CG2-CB 3.48Å; V373-R393 HydrophobicContact CG2-CG 4.27Å; V373-R393 VanDerWaalsContact CG2-CZ 3.43Å; D378-R393 IonicContact OD1-CZ 3.26Å; D378-R393 IonicContact OD1-NE 3.85Å; D378-R393 IonicContact OD1-NH2 3.52Å; D378-R393 PolarHBondContact OD1-NH2 3.22Å; D378-R393 IonicContact OD2-CZ 3.71Å; D378-R393 IonicContact OD2-NE 3.84Å; D378-R393 PolarHBondContact OD2-NE 2.85Å; D378-R393 IonicContact OD2-NH2 3.36Å; D378-R393 PolarHBondContact OD2-NH2 2.87Å; R393-F395 VanDerWaalsContact C-N 3.25Å; R393-F395 PolarHBondContact O-N 3.12Å; R393-V396 HydrophobicContact CB-CG2 4.25Å; R393-V396 WeakPolarHBondContact O-CG2 3.49Å; R393-V396 PolarHBondContact O-N 3.36Å; R393-R399 CarbonylContact O-C 3.58Å; R393-R399 WeakPolarHBondContact O-CA 3.44Å
394	E	91.7	Very high	88.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.5	-173.3	-63.7	-67.6	176.1	0	0	114.1	S392 K415 Y419	S392-E394 WeakPolarHBondContact OG-CB 3.37Å; S392-E394 VanDerWaalsContact OG-CG 3.27Å; S392-E394 WeakPolarHBondContact OG-CG 3.32Å; S392-E394 PolarHBondContact OG-N 3.07Å; E394-K415 WeakPolarHBondContact OE1-CE 3.43Å; E394-K415 WeakPolarHBondContact OE2-CG 3.43Å; E394-Y419 HydrophobicContact CG-CE2 4.07Å; E394-Y419 WeakPolarHBondContact OE1-CE2 3.16Å; E394-Y419 PolarHBondContact OE1-OH 2.91Å
395	F	93.7	Very high	87	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-1.5	-174.3	-56.8	-80.1	0	0	0	113.3	R393 E412 Y416 L429 T430 T431 H439 Q444 L447 T448 L451	R393-F395 VanDerWaalsContact C-N 3.25Å; R393-F395 PolarHBondContact O-N 3.12Å; F395-E412 HydrophobicContact CD1-CB 4.06Å; F395-E412 HydrophobicContact CD1-CG 4.32Å; F395-E412 HydrophobicContact CE1-CB 3.72Å; F395-E412 HydrophobicContact CE1-CG 4.48Å; F395-Y416 AromaticContact CE2-CD2 3.94Å; F395-Y416 HydrophobicContact CE2-CD2 3.94Å; F395-Y416 HydrophobicContact CZ-CD2 4.07Å; F395-Y416 HydrophobicContact CZ-CG 4.2Å; F395-L429 HydrophobicContact CD2-CD2 4.36Å; F395-L429 HydrophobicContact CE2-CD1 4.47Å; F395-L429 HydrophobicContact CE2-CD2 4.04Å; F395-T430 CarbonylContact C-O 3.59Å; F395-T430 WeakPolarHBondContact CB-O 3.1Å; F395-T431 HydrophobicContact CB-CG2 4.41Å; F395-T431 WeakPolarHBondContact O-CA 3.34Å; F395-H439 PolarHBondContact O-NE2 2.82Å; F395-Q444 PolarHBondContact O-OE1 2.98Å; F395-L447 HydrophobicContact CE1-CB 4.2Å; F395-L447 HydrophobicContact CE1-CD1 4.38Å; F395-T448 HydrophobicContact CB-CG2 3.94Å; F395-T448 HydrophobicContact CD2-CG2 4.23Å; F395-T448 HydrophobicContact CG-CG2 4.03Å; F395-L451 HydrophobicContact CE1-CD1 4.06Å; F395-L451 HydrophobicContact CE2-CD1 4.14Å; F395-L451 HydrophobicContact CZ-CD1 3.39Å
396	V	92.2	Very high	85.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.164	C	C	.	.	S	Bend	trans	-75.7	156.5	172.5	-48.2	0	0	0	0	109.1	R393 E398 R399 G400 T430 T431 T433 N436	R393-V396 HydrophobicContact CB-CG2 4.25Å; R393-V396 WeakPolarHBondContact O-CG2 3.49Å; R393-V396 PolarHBondContact O-N 3.36Å; V396-E398 PolarHBondContact O-N 2.99Å; V396-R399 WeakPolarHBondContact O-CA 3.36Å; V396-R399 PolarHBondContact O-N 3.31Å; V396-G400 VanDerWaalsContact CG2-N 3.31Å; V396-T430 HydrophobicContact CG1-CG2 4.09Å; V396-T431 WeakPolarHBondContact CA-O 3.22Å; V396-T433 HydrophobicContact CG1-CG2 4.04Å; V396-N436 HydrophobicContact CB-CB 4.05Å; V396-N436 HydrophobicContact CG2-CB 4.09Å
397	F	87.4	Confident	84.7	Confident	62 Å²	62	35 Å²	35	27%	0.272	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-51.8	132.9	-178.4	-172	-113.1	0	0	0	111.8	R399 G400 H439 W491	F397-R399 PolarHBondContact O-N 2.98Å; F397-R399 VanDerWaalsContact O-N 3.11Å; F397-G400 PolarHBondContact O-N 3.43Å; F397-H439 HydrophobicContact CB-CB 4.2Å; F397-H439 HydrophobicContact CD2-CB 3.7Å; F397-H439 HydrophobicContact CG-CB 4.24Å; F397-W491 AromaticContact CD1-CH2 3.47Å; F397-W491 HydrophobicContact CD1-CH2 3.47Å; F397-W491 VanDerWaalsContact CD1-CH2 3.47Å; F397-W491 AromaticContact CD1-CZ3 3.53Å; F397-W491 HydrophobicContact CD1-CZ3 3.53Å; F397-W491 AromaticContact CE1-CH2 3.55Å; F397-W491 HydrophobicContact CE1-CH2 3.55Å; F397-W491 HydrophobicContact CE1-CZ2 4.36Å; F397-W491 HydrophobicContact CE1-CZ3 4.09Å
398	E	86.1	Confident	83.8	Confident	46 Å²	46	37.4 Å²	37.4	22%	0.215	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	52.6	28.4	-176.5	-64.7	-76.5	167.4	0	0	114	V396 G400 G401 L406 W491	V396-E398 PolarHBondContact O-N 2.99Å; E398-G400 PolarHBondContact O-N 2.98Å; E398-G401 PolarHBondContact O-N 3.36Å; E398-L406 PolarHBondContact OE2-N 3.4Å; E398-L406 VanDerWaalsContact OE2-N 3.12Å; E398-W491 HydrophobicContact CB-CH2 4.35Å; E398-W491 HydrophobicContact CG-CH2 4.18Å
399	R	88.4	Confident	83.2	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.019	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	48.8	30.6	-172.4	-58.7	-169.1	-177.3	164.3	7.3	114.2	G372 V373 D375 R393 V396 F397 F408 K410 E412	G372-R399 CarbonylContact C-O 3.34Å; G372-R399 WeakPolarHBondContact CA-O 3.29Å; V373-R399 PolarHBondContact N-O 2.91Å; V373-R399 WeakPolarHBondContact O-CD 3.43Å; D375-R399 IonicContact OD1-NH1 3.14Å; D375-R399 PolarHBondContact OD1-NH1 2.99Å; R393-R399 CarbonylContact O-C 3.58Å; R393-R399 WeakPolarHBondContact O-CA 3.44Å; V396-R399 WeakPolarHBondContact O-CA 3.36Å; V396-R399 PolarHBondContact O-N 3.31Å; F397-R399 PolarHBondContact O-N 2.98Å; F397-R399 VanDerWaalsContact O-N 3.11Å; R399-F408 HydrophobicContact CB-CE1 4.31Å; R399-F408 HydrophobicContact CB-CE2 4.3Å; R399-F408 HydrophobicContact CB-CZ 3.73Å; R399-F408 HydrophobicContact CG-CD2 4.46Å; R399-F408 HydrophobicContact CG-CE1 4.29Å; R399-F408 HydrophobicContact CG-CE2 3.79Å; R399-F408 HydrophobicContact CG-CZ 3.69Å; R399-K410 PolarHBondContact NH2-O 3.22Å; R399-E412 IonicContact CZ-OE1 3.77Å; R399-E412 IonicContact NE-OE1 3.27Å; R399-E412 IonicContact NH2-OE1 2.77Å; R399-E412 PolarHBondContact NH2-OE1 3.38Å; R399-E412 VanDerWaalsContact NH2-OE1 3.12Å
400	G	86.1	Confident	82.6	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.021	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	91.8	1	179.8	0	0	0	0	0	115.1	V396 F397 E398 N436	V396-G400 VanDerWaalsContact CG2-N 3.31Å; F397-G400 PolarHBondContact O-N 3.43Å; E398-G400 PolarHBondContact O-N 2.98Å; G400-N436 WeakPolarHBondContact CA-ND2 3.1Å
401	G	81.3	Confident	82	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.031	26%	0.26	C	S	.	.			trans	-75.7	139.4	177.5	0	0	0	0	0	112.4	G372 E398 W491	G372-G401 VanDerWaalsContact CA-N 3.29Å; E398-G401 PolarHBondContact O-N 3.36Å; G401-W491 WeakPolarHBondContact O-CH2 3.5Å; G401-W491 VanDerWaalsContact O-CZ3 3.31Å; G401-W491 WeakPolarHBondContact O-CZ3 3.44Å
402	S	71.2	Confident	81.5	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.063	27%	0.268	C	S	.	.			trans	-115.6	139	172.4	70	0	0	0	0	110.6	R250 G370 S404	R250-S402 PolarHBondContact NH2-OG 2.97Å; G370-S402 VanDerWaalsContact CA-OG 3.32Å; G370-S402 WeakPolarHBondContact CA-OG 3.32Å; G370-S402 PolarHBondContact O-N 2.82Å; G370-S402 VanDerWaalsContact O-N 3.11Å; S402-S404 PolarHBondContact O-N 3.3Å
403	G	62.7	Low	81.1	Confident	66 Å²	66	49.3 Å²	49.3	68%	0.68	27%	0.268	S	S	*	.	S	Bend	trans	91.6	-16.4	167.7	0	0	0	0	0	117.9
404	S	58.8	Low	81	Confident	76 Å²	76	51.4 Å²	51.4	53%	0.531	28%	0.278	S	S	.	.	S	Bend	trans	-143.6	141.4	171.5	62.3	0	0	0	0	111.6	S402 L406	S402-S404 PolarHBondContact O-N 3.3Å; S404-L406 PolarHBondContact O-N 2.86Å
405	R	62.1	Low	80.9	Confident	231 Å²	231	51.3 Å²	51.3	87%	0.872	28%	0.277	S	S	*	.			trans	-64.3	115.9	172.1	-79.5	-175.4	179.2	165.9	0.6	108.2
406	L	68.7	Low	80.9	Confident	63 Å²	63	51.3 Å²	51.3	33%	0.33	28%	0.277	S	S	.	.			trans	-85.1	137.7	176.5	-65.1	173.2	0	0	0	108.8	E398 S404 F408	E398-L406 PolarHBondContact OE2-N 3.4Å; E398-L406 VanDerWaalsContact OE2-N 3.12Å; S404-L406 PolarHBondContact O-N 2.86Å; L406-F408 HydrophobicContact CB-CE1 3.89Å; L406-F408 HydrophobicContact CB-CE2 3.9Å; L406-F408 HydrophobicContact CB-CZ 3.41Å; L406-F408 VanDerWaalsContact CB-CZ 3.41Å; L406-F408 HydrophobicContact CD1-CE1 4.25Å; L406-F408 HydrophobicContact CD1-CZ 3.87Å; L406-F408 HydrophobicContact CG-CZ 4.29Å
407	S	73.4	Confident	80.9	Confident	117 Å²	117	52.7 Å²	52.7	82%	0.818	29%	0.287	S	S	*	.			trans	-100.1	129.8	168.7	59.8	0	0	0	0	109.2
408	F	78.6	Confident	81.1	Confident	54 Å²	54	53.2 Å²	53.2	24%	0.237	30%	0.295	C	S	.	.			trans	-114.3	139.4	177.7	-51.7	-72.3	0	0	0	109.8	V373 R399 L406 K410	V373-F408 WeakPolarHBondContact O-CE1 3.14Å; R399-F408 HydrophobicContact CB-CE1 4.31Å; R399-F408 HydrophobicContact CB-CE2 4.3Å; R399-F408 HydrophobicContact CB-CZ 3.73Å; R399-F408 HydrophobicContact CG-CD2 4.46Å; R399-F408 HydrophobicContact CG-CE1 4.29Å; R399-F408 HydrophobicContact CG-CE2 3.79Å; R399-F408 HydrophobicContact CG-CZ 3.69Å; L406-F408 HydrophobicContact CB-CE1 3.89Å; L406-F408 HydrophobicContact CB-CE2 3.9Å; L406-F408 HydrophobicContact CB-CZ 3.41Å; L406-F408 VanDerWaalsContact CB-CZ 3.41Å; L406-F408 HydrophobicContact CD1-CE1 4.25Å; L406-F408 HydrophobicContact CD1-CZ 3.87Å; L406-F408 HydrophobicContact CG-CZ 4.29Å; F408-K410 VanDerWaalsContact C-N 3.33Å
409	D	84.1	Confident	81.5	Confident	153 Å²	153	51.3 Å²	51.3	82%	0.818	29%	0.286	S	S	*	.	S	Bend	trans	-77.4	-25.3	179	-66.6	-29.6	0	0	0	111.5	D375	D375-D409 WeakPolarHBondContact OD2-CB 3.27Å; D375-D409 PolarHBondContact OD2-N 3.08Å
410	K	85.5	Confident	81.8	Confident	75 Å²	75	53.7 Å²	53.7	33%	0.326	30%	0.304	S	S	.	.	S	Bend	trans	-109.2	141.4	179.6	-59.7	173.7	-171.9	163.9	0	110.9	D375 R399 F408 Q414 K415	D375-K410 HydrophobicContact CB-CD 4.11Å; D375-K410 HydrophobicContact CB-CG 4.46Å; D375-K410 WeakPolarHBondContact OD1-CB 3.22Å; R399-K410 PolarHBondContact NH2-O 3.22Å; F408-K410 VanDerWaalsContact C-N 3.33Å; K410-Q414 HydrophobicContact CB-CB 3.97Å; K410-K415 HydrophobicContact CB-CB 4.16Å
411	T	85.7	Confident	82.1	Confident	34 Å²	34	57.9 Å²	57.9	21%	0.209	33%	0.326	C	S	.	.			trans	-65.7	163.1	165.4	77.4	0	0	0	0	110.9	I413 Q414 K415 E577	T411-I413 VanDerWaalsContact C-N 3.27Å; T411-I413 PolarHBondContact O-N 3.44Å; T411-Q414 VanDerWaalsContact N-OE1 3.08Å; T411-Q414 WeakPolarHBondContact O-CB 3.46Å; T411-Q414 PolarHBondContact O-N 3.09Å; T411-Q414 VanDerWaalsContact OG1-CG 3.29Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.21Å; T411-Q414 PolarHBondContact OG1-N 3.28Å; T411-K415 WeakPolarHBondContact O-CB 3.29Å; T411-K415 PolarHBondContact O-N 2.81Å; T411-E577 VanDerWaalsContact CB-OE1 3.22Å; T411-E577 WeakPolarHBondContact CB-OE1 3.2Å; T411-E577 PolarHBondContact OG1-OE1 3.34Å
412	E	85.9	Confident	82.7	Confident	35 Å²	35	61.3 Å²	61.3	16%	0.164	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-42.3	-177.3	-63.5	61.5	-126.9	0	0	110.5	F395 R399 K415 Y416	F395-E412 HydrophobicContact CD1-CB 4.06Å; F395-E412 HydrophobicContact CD1-CG 4.32Å; F395-E412 HydrophobicContact CE1-CB 3.72Å; F395-E412 HydrophobicContact CE1-CG 4.48Å; R399-E412 IonicContact CZ-OE1 3.77Å; R399-E412 IonicContact NE-OE1 3.27Å; R399-E412 IonicContact NH2-OE1 2.77Å; R399-E412 PolarHBondContact NH2-OE1 3.38Å; R399-E412 VanDerWaalsContact NH2-OE1 3.12Å; E412-K415 PolarHBondContact O-N 3.38Å; E412-Y416 WeakPolarHBondContact O-CB 3.01Å; E412-Y416 PolarHBondContact O-N 3.15Å
413	I	88.4	Confident	83.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-37.1	178.5	-156.5	173.5	0	0	0	112	T411 K415 S417 L447 L451 M563 E577 F579	T411-I413 VanDerWaalsContact C-N 3.27Å; T411-I413 PolarHBondContact O-N 3.44Å; I413-K415 VanDerWaalsContact C-N 3.33Å; I413-S417 VanDerWaalsContact O-CB 3.22Å; I413-S417 WeakPolarHBondContact O-CB 3.42Å; I413-S417 PolarHBondContact O-N 3.15Å; I413-S417 PolarHBondContact O-OG 2.96Å; I413-L447 HydrophobicContact CD1-CD2 4.36Å; I413-L451 HydrophobicContact CG1-CD2 4.49Å; I413-M563 HydrophobicContact CD1-CE 3.87Å; I413-M563 HydrophobicContact CG1-CE 3.83Å; I413-E577 HydrophobicContact CD1-CB 4.2Å; I413-E577 HydrophobicContact CG2-CB 4Å; I413-E577 HydrophobicContact CG2-CG 3.67Å; I413-E577 VanDerWaalsContact CG2-OE1 3.3Å; I413-E577 WeakPolarHBondContact CG2-OE1 3.22Å; I413-F579 HydrophobicContact CD1-CD1 3.49Å; I413-F579 VanDerWaalsContact CD1-CD1 3.49Å; I413-F579 HydrophobicContact CD1-CE1 3.83Å; I413-F579 HydrophobicContact CD1-CG 4.48Å
414	Q	88.6	Confident	85.3	Confident	46 Å²	46	59.9 Å²	59.9	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-45.1	178.2	-71.7	173.3	-1.6	0	0	109.8	K410 T411 S417 T418	K410-Q414 HydrophobicContact CB-CB 3.97Å; T411-Q414 VanDerWaalsContact N-OE1 3.08Å; T411-Q414 WeakPolarHBondContact O-CB 3.46Å; T411-Q414 PolarHBondContact O-N 3.09Å; T411-Q414 VanDerWaalsContact OG1-CG 3.29Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.21Å; T411-Q414 PolarHBondContact OG1-N 3.28Å; Q414-S417 PolarHBondContact O-N 2.89Å; Q414-T418 WeakPolarHBondContact O-CG2 3.26Å
415	K	90.3	Very high	87	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-53.2	175	175.3	52.9	178.8	151.9	0	111.3	G374 D375 N376 E394 K410 T411 E412 I413 S417 T418	G374-K415 WeakPolarHBondContact O-CE 3.47Å; D375-K415 WeakPolarHBondContact O-CD 3.38Å; D375-K415 WeakPolarHBondContact O-CE 3.36Å; D375-K415 PolarHBondContact O-NZ 3.22Å; N376-K415 WeakPolarHBondContact O-CE 3.36Å; N376-K415 PolarHBondContact O-NZ 3.43Å; E394-K415 WeakPolarHBondContact OE1-CE 3.43Å; E394-K415 WeakPolarHBondContact OE2-CG 3.43Å; K410-K415 HydrophobicContact CB-CB 4.16Å; T411-K415 WeakPolarHBondContact O-CB 3.29Å; T411-K415 PolarHBondContact O-N 2.81Å; E412-K415 PolarHBondContact O-N 3.38Å; I413-K415 VanDerWaalsContact C-N 3.33Å; K415-S417 PolarHBondContact O-N 2.96Å; K415-T418 WeakPolarHBondContact O-CB 3.3Å; K415-T418 PolarHBondContact O-N 2.79Å; K415-T418 PolarHBondContact O-OG1 3.29Å
416	Y	93.4	Very high	88.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-36.2	178.4	179.1	-91.4	0	0	0	112.7	F395 E412 T418 Y419 K424 L427 L429 L451 P452 M563	F395-Y416 AromaticContact CE2-CD2 3.94Å; F395-Y416 HydrophobicContact CE2-CD2 3.94Å; F395-Y416 HydrophobicContact CZ-CD2 4.07Å; F395-Y416 HydrophobicContact CZ-CG 4.2Å; E412-Y416 WeakPolarHBondContact O-CB 3.01Å; E412-Y416 PolarHBondContact O-N 3.15Å; Y416-T418 PolarHBondContact O-N 3.07Å; Y416-Y419 HydrophobicContact CD2-CD2 4.19Å; Y416-Y419 WeakPolarHBondContact O-CB 3.47Å; Y416-Y419 VanDerWaalsContact O-CD2 3.29Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.29Å; Y416-Y419 PolarHBondContact O-N 3.38Å; Y416-Y419 VanDerWaalsContact O-N 3.15Å; Y416-K424 HydrophobicContact CE1-CD 3.86Å; Y416-K424 HydrophobicContact CE1-CG 4.06Å; Y416-K424 HydrophobicContact CE2-CG 4.34Å; Y416-K424 WeakPolarHBondContact OH-CB 3.37Å; Y416-K424 WeakPolarHBondContact OH-CG 3.25Å; Y416-L427 HydrophobicContact CD2-CD1 4.46Å; Y416-L427 HydrophobicContact CE2-CD1 4.01Å; Y416-L429 HydrophobicContact CE2-CD1 4.19Å; Y416-L429 HydrophobicContact CE2-CD2 3.88Å; Y416-L451 HydrophobicContact CD1-CD1 3.91Å; Y416-L451 HydrophobicContact CD1-CD2 3.94Å; Y416-L451 HydrophobicContact CD1-CG 4.41Å; Y416-L451 HydrophobicContact CD2-CD1 4.41Å; Y416-L451 HydrophobicContact CE1-CB 4.06Å; Y416-L451 HydrophobicContact CE1-CD1 4.08Å; Y416-L451 HydrophobicContact CE1-CD2 3.88Å; Y416-L451 HydrophobicContact CE1-CG 4.23Å; Y416-L451 HydrophobicContact CG-CD1 4.09Å; Y416-P452 VanDerWaalsContact OH-C 3.32Å; Y416-P452 PolarHBondContact OH-O 3.04Å; Y416-M563 HydrophobicContact CD1-SD 4.18Å; Y416-M563 HydrophobicContact CE1-SD 3.99Å
417	S	91.8	Very high	90	Very high	29 Å²	29	47.7 Å²	47.7	20%	0.203	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.2	179.5	-60.7	0	0	0	0	114.1	I413 Q414 K415 Y419 R565	I413-S417 VanDerWaalsContact O-CB 3.22Å; I413-S417 WeakPolarHBondContact O-CB 3.42Å; I413-S417 PolarHBondContact O-N 3.15Å; I413-S417 PolarHBondContact O-OG 2.96Å; Q414-S417 PolarHBondContact O-N 2.89Å; K415-S417 PolarHBondContact O-N 2.96Å; S417-Y419 VanDerWaalsContact C-N 3.29Å; S417-R565 VanDerWaalsContact OG-CD 3.25Å; S417-R565 WeakPolarHBondContact OG-CD 3.48Å
418	T	92.9	Very high	91.2	Very high	73 Å²	73	42.1 Å²	42.1	45%	0.448	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.6	173.3	67.7	0	0	0	0	113.2	Q414 K415 Y416	Q414-T418 WeakPolarHBondContact O-CG2 3.26Å; K415-T418 WeakPolarHBondContact O-CB 3.3Å; K415-T418 PolarHBondContact O-N 2.79Å; K415-T418 PolarHBondContact O-OG1 3.29Å; Y416-T418 PolarHBondContact O-N 3.07Å
419	Y	94.1	Very high	92.1	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	22%	0.219	C	C	.	.	S	Bend	trans	-70.4	142.4	176.2	-67.8	-58.2	0	0	0	111.7	P377 D378 L381 E394 Y416 S417 D423 K424 L427	P377-Y419 HydrophobicContact CB-CE1 4.23Å; D378-Y419 PolarHBondContact N-OH 2.91Å; D378-Y419 VanDerWaalsContact N-OH 3.08Å; L381-Y419 HydrophobicContact CD1-CD1 3.68Å; L381-Y419 HydrophobicContact CD1-CE1 3.49Å; L381-Y419 VanDerWaalsContact CD1-CE1 3.49Å; L381-Y419 HydrophobicContact CG-CE1 4.31Å; E394-Y419 HydrophobicContact CG-CE2 4.07Å; E394-Y419 WeakPolarHBondContact OE1-CE2 3.16Å; E394-Y419 PolarHBondContact OE1-OH 2.91Å; Y416-Y419 HydrophobicContact CD2-CD2 4.19Å; Y416-Y419 WeakPolarHBondContact O-CB 3.47Å; Y416-Y419 VanDerWaalsContact O-CD2 3.29Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.29Å; Y416-Y419 PolarHBondContact O-N 3.38Å; Y416-Y419 VanDerWaalsContact O-N 3.15Å; S417-Y419 VanDerWaalsContact C-N 3.29Å; Y419-D423 HydrophobicContact CD1-CB 4.3Å; Y419-K424 VanDerWaalsContact O-CE 3.26Å; Y419-K424 WeakPolarHBondContact O-CE 3.28Å; Y419-K424 PolarHBondContact O-NZ 2.86Å; Y419-L427 HydrophobicContact CD2-CD1 3.74Å; Y419-L427 HydrophobicContact CE2-CD1 4.12Å; Y419-L427 HydrophobicContact CG-CD1 4.02Å
420	S	94.5	Very high	92.7	Very high	55 Å²	55	32.3 Å²	32.3	39%	0.385	18%	0.18	S	C	.	.			trans	-67.9	160.6	172.2	76	0	0	0	0	110.4	S422 D423 K424	S420-S422 PolarHBondContact O-N 3.34Å; S420-D423 VanDerWaalsContact CB-OD2 3.31Å; S420-D423 WeakPolarHBondContact CB-OD2 3.3Å; S420-D423 PolarHBondContact N-OD2 3.24Å; S420-D423 PolarHBondContact O-N 3.02Å; S420-D423 VanDerWaalsContact O-N 3.11Å; S420-D423 PolarHBondContact OG-N 3.26Å; S420-D423 PolarHBondContact OG-OD1 2.89Å; S420-D423 PolarHBondContact OG-OD2 2.87Å; S420-K424 WeakPolarHBondContact O-CG 3.39Å; S420-K424 PolarHBondContact O-N 3.46Å
421	D	92.3	Very high	93.2	Very high	90 Å²	90	28.9 Å²	28.9	48%	0.481	17%	0.165	S	C	.	.	H	α-helix	trans	-62.2	-30.9	177.2	-68.9	-16.5	0	0	0	112.2	K424 D425	D421-K424 IonicContact OD1-NZ 3.49Å; D421-K424 PolarHBondContact OD1-NZ 3.46Å; D421-D425 WeakPolarHBondContact O-CB 3.29Å; D421-D425 PolarHBondContact O-N 2.81Å; D421-D425 VanDerWaalsContact O-N 3.13Å
422	S	93	Very high	93.7	Very high	74 Å²	74	27.3 Å²	27.3	52%	0.517	16%	0.155	S	C	.	.	H	α-helix	trans	-65.1	-40.5	173.4	176	0	0	0	0	112.5	S420 D425	S420-S422 PolarHBondContact O-N 3.34Å; S422-D425 WeakPolarHBondContact O-CB 3.39Å
423	D	94.8	Very high	94.1	Very high	33 Å²	33	25.7 Å²	25.7	18%	0.176	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-50.5	177.3	-57.4	-37.8	0	0	0	109.8	L381 Y419 S420 D425 K426 L427	L381-D423 HydrophobicContact CD1-CB 4.45Å; L381-D423 HydrophobicContact CD2-CB 3.98Å; Y419-D423 HydrophobicContact CD1-CB 4.3Å; S420-D423 VanDerWaalsContact CB-OD2 3.31Å; S420-D423 WeakPolarHBondContact CB-OD2 3.3Å; S420-D423 PolarHBondContact N-OD2 3.24Å; S420-D423 PolarHBondContact O-N 3.02Å; S420-D423 VanDerWaalsContact O-N 3.11Å; S420-D423 PolarHBondContact OG-N 3.26Å; S420-D423 PolarHBondContact OG-OD1 2.89Å; S420-D423 PolarHBondContact OG-OD2 2.87Å; D423-D425 PolarHBondContact O-N 3.49Å; D423-D425 VanDerWaalsContact O-N 3.13Å; D423-K426 PolarHBondContact O-N 3Å; D423-L427 WeakPolarHBondContact O-CG 3.46Å; D423-L427 PolarHBondContact O-N 3.21Å
424	K	95.4	Very high	94.3	Very high	13 Å²	13	25.8 Å²	25.8	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-52.9	-38.1	179.5	-68.7	176.6	-177.1	122.4	0	111.9	Y416 Y419 S420 D421 K426 L427 P452 G453	Y416-K424 HydrophobicContact CE1-CD 3.86Å; Y416-K424 HydrophobicContact CE1-CG 4.06Å; Y416-K424 HydrophobicContact CE2-CG 4.34Å; Y416-K424 WeakPolarHBondContact OH-CB 3.37Å; Y416-K424 WeakPolarHBondContact OH-CG 3.25Å; Y419-K424 VanDerWaalsContact O-CE 3.26Å; Y419-K424 WeakPolarHBondContact O-CE 3.28Å; Y419-K424 PolarHBondContact O-NZ 2.86Å; S420-K424 WeakPolarHBondContact O-CG 3.39Å; S420-K424 PolarHBondContact O-N 3.46Å; D421-K424 IonicContact OD1-NZ 3.49Å; D421-K424 PolarHBondContact OD1-NZ 3.46Å; K424-K426 PolarHBondContact O-N 3.08Å; K424-K426 VanDerWaalsContact O-N 3.16Å; K424-L427 PolarHBondContact O-N 2.68Å; K424-P452 HydrophobicContact CB-CB 4.28Å; K424-P452 HydrophobicContact CD-CB 4.42Å; K424-P452 HydrophobicContact CD-CG 4.43Å; K424-G453 WeakPolarHBondContact O-CA 3.28Å
425	D	93.9	Very high	94.4	Very high	68 Å²	68	23.6 Å²	23.6	36%	0.364	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.2	178.4	-111	35.6	0	0	0	115.3	K122 D421 S422 D423	K122-D425 VanDerWaalsContact CE-O 3.29Å; K122-D425 WeakPolarHBondContact CE-O 3.3Å; K122-D425 IonicContact NZ-OD2 2.73Å; K122-D425 PolarHBondContact NZ-OD2 3.16Å; D421-D425 WeakPolarHBondContact O-CB 3.29Å; D421-D425 PolarHBondContact O-N 2.81Å; D421-D425 VanDerWaalsContact O-N 3.13Å; S422-D425 WeakPolarHBondContact O-CB 3.39Å; D423-D425 PolarHBondContact O-N 3.49Å; D423-D425 VanDerWaalsContact O-N 3.13Å
426	K	96.3	Very high	94.4	Very high	44 Å²	44	23.7 Å²	23.7	19%	0.191	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-13.5	179.1	-62.2	-179.1	-176.7	174.2	0	112.6	S384 L389 I390 D423 K424 G428	S384-K426 VanDerWaalsContact O-CD 3.23Å; S384-K426 WeakPolarHBondContact O-CD 3.4Å; S384-K426 VanDerWaalsContact O-CE 3.31Å; S384-K426 WeakPolarHBondContact O-CE 3.42Å; S384-K426 PolarHBondContact O-NZ 3.05Å; L389-K426 CarbonylContact C-O 3.59Å; L389-K426 WeakPolarHBondContact CA-O 3.37Å; I390-K426 PolarHBondContact N-O 3.37Å; D423-K426 PolarHBondContact O-N 3Å; K424-K426 PolarHBondContact O-N 3.08Å; K424-K426 VanDerWaalsContact O-N 3.16Å; K426-G428 PolarHBondContact O-N 2.6Å
427	L	97.5	Very high	94.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.7	-179.1	-68.4	177.6	0	0	0	111.3	L381 I390 Y416 Y419 D423 K424 L429 L454	L381-L427 HydrophobicContact CD2-CD2 4Å; I390-L427 CarbonylContact O-C 3.51Å; I390-L427 WeakPolarHBondContact O-CA 3.36Å; Y416-L427 HydrophobicContact CD2-CD1 4.46Å; Y416-L427 HydrophobicContact CE2-CD1 4.01Å; Y419-L427 HydrophobicContact CD2-CD1 3.74Å; Y419-L427 HydrophobicContact CE2-CD1 4.12Å; Y419-L427 HydrophobicContact CG-CD1 4.02Å; D423-L427 WeakPolarHBondContact O-CG 3.46Å; D423-L427 PolarHBondContact O-N 3.21Å; K424-L427 PolarHBondContact O-N 2.68Å; L427-L429 HydrophobicContact CB-CD2 3.85Å; L427-L429 PolarHBondContact O-N 2.65Å; L427-L454 PolarHBondContact O-N 2.82Å
428	G	97.9	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.8	165.2	0	0	0	0	0	110.2	I390 S392 K426 L454	I390-G428 PolarHBondContact O-N 3.34Å; S392-G428 VanDerWaalsContact CB-O 3.24Å; S392-G428 WeakPolarHBondContact CB-O 3.47Å; S392-G428 PolarHBondContact N-O 3.45Å; K426-G428 PolarHBondContact O-N 2.6Å; G428-L454 CarbonylContact C-O 3.56Å; G428-L454 VanDerWaalsContact CA-O 3.24Å; G428-L454 WeakPolarHBondContact CA-O 3.31Å
429	L	97.7	Very high	93.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.1	-175.7	-53.7	-169.8	0	0	0	110.2	F395 Y416 L427 T448 L451 P452 L454 P455 I456	F395-L429 HydrophobicContact CD2-CD2 4.36Å; F395-L429 HydrophobicContact CE2-CD1 4.47Å; F395-L429 HydrophobicContact CE2-CD2 4.04Å; Y416-L429 HydrophobicContact CE2-CD1 4.19Å; Y416-L429 HydrophobicContact CE2-CD2 3.88Å; L427-L429 HydrophobicContact CB-CD2 3.85Å; L427-L429 PolarHBondContact O-N 2.65Å; L429-T448 HydrophobicContact CB-CG2 4.11Å; L429-L451 HydrophobicContact CD1-CB 3.83Å; L429-L451 HydrophobicContact CD1-CD1 4.48Å; L429-P452 VanDerWaalsContact CD1-O 3.26Å; L429-P452 WeakPolarHBondContact CD1-O 3.45Å; L429-L454 PolarHBondContact N-O 2.92Å; L429-P455 WeakPolarHBondContact O-CA 3.24Å; L429-I456 PolarHBondContact O-N 3.25Å
430	T	97.3	Very high	93.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.			trans	-151	156.5	179.5	-165.3	0	0	0	0	111	I391 F395 V396 S432 T433 I456	I391-T430 HydrophobicContact CG2-CG2 4.13Å; F395-T430 CarbonylContact C-O 3.59Å; F395-T430 WeakPolarHBondContact CB-O 3.1Å; V396-T430 HydrophobicContact CG1-CG2 4.09Å; T430-S432 VanDerWaalsContact CG2-O 3.26Å; T430-S432 WeakPolarHBondContact CG2-O 3.23Å; T430-S432 PolarHBondContact OG1-O 2.78Å; T430-T433 HydrophobicContact CG2-CG2 3.91Å; T430-I456 WeakPolarHBondContact CA-O 3.25Å; T430-I456 WeakPolarHBondContact CB-O 3.48Å; T430-I456 PolarHBondContact OG1-O 2.92Å
431	T	95.9	Very high	93.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	13%	0.126	C	C	.	.	S	Bend	trans	-98.5	-6.1	175.6	53.8	0	0	0	0	113.4	F395 V396 H439 Q444 L445 T448	F395-T431 HydrophobicContact CB-CG2 4.41Å; F395-T431 WeakPolarHBondContact O-CA 3.34Å; V396-T431 WeakPolarHBondContact CA-O 3.22Å; T431-H439 PolarHBondContact O-CD2 2.73Å; T431-H439 VanDerWaalsContact O-CD2 3.27Å; T431-H439 PolarHBondContact O-NE2 3.09Å; T431-Q444 HydrophobicContact CG2-CB 4.08Å; T431-L445 HydrophobicContact CG2-CB 4.29Å; T431-T448 HydrophobicContact CG2-CG2 3.96Å
432	S	94.9	Very high	93.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	11%	0.111	C	C	.	.			trans	-155.4	155.4	-177	-175.9	0	0	0	0	110.1	T430 N436 S438 Y458 T461	T430-S432 VanDerWaalsContact CG2-O 3.26Å; T430-S432 WeakPolarHBondContact CG2-O 3.23Å; T430-S432 PolarHBondContact OG1-O 2.78Å; S432-N436 WeakPolarHBondContact CA-O 3.3Å; S432-N436 PolarHBondContact OG-O 3.38Å; S432-S438 PolarHBondContact OG-N 2.89Å; S432-Y458 WeakPolarHBondContact O-CB 3.38Å; S432-Y458 VanDerWaalsContact OG-CD1 3.32Å; S432-Y458 WeakPolarHBondContact OG-CD1 3.35Å; S432-T461 VanDerWaalsContact CB-CG2 3.43Å
433	T	95	Very high	93	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.088	C	C	.	.			trans	-140.6	-178.5	178.7	68.1	0	0	0	0	109.6	W128 I391 V396 T430 N435 N436 Y458 S495	W128-T433 HydrophobicContact CH2-CG2 4.28Å; W128-T433 HydrophobicContact CZ3-CG2 3.72Å; I391-T433 HydrophobicContact CG2-CG2 3.99Å; V396-T433 HydrophobicContact CG1-CG2 4.04Å; T430-T433 HydrophobicContact CG2-CG2 3.91Å; T433-N435 PolarHBondContact O-N 3.48Å; T433-N435 VanDerWaalsContact O-N 3.07Å; T433-N435 PolarHBondContact OG1-N 2.86Å; T433-N435 VanDerWaalsContact OG1-N 3.08Å; T433-N436 PolarHBondContact N-O 3.03Å; T433-N436 PolarHBondContact OG1-N 3.28Å; T433-N436 PolarHBondContact OG1-OD1 3.46Å; T433-N436 VanDerWaalsContact OG1-OD1 3.09Å; T433-Y458 VanDerWaalsContact C-CE2 3.41Å; T433-S495 WeakPolarHBondContact O-CB 3.32Å; T433-S495 PolarHBondContact O-OG 3Å
434	S	92.6	Very high	92.9	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-58.2	-14.3	167.8	48	0	0	0	0	114.3	W128 S495 H496	W128-S434 VanDerWaalsContact CZ2-OG 3.23Å; W128-S434 WeakPolarHBondContact CZ2-OG 3.41Å; S434-S495 WeakPolarHBondContact O-CB 3.46Å; S434-H496 PolarHBondContact O-NE2 2.6Å
435	N	90.5	Very high	92.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-125.2	-10.6	-173.9	-59.8	105.3	0	0	0	113.9	D368 T433 S492	D368-N435 HydrophobicContact CB-CB 3.9Å; T433-N435 PolarHBondContact O-N 3.48Å; T433-N435 VanDerWaalsContact O-N 3.07Å; T433-N435 PolarHBondContact OG1-N 2.86Å; T433-N435 VanDerWaalsContact OG1-N 3.08Å; N435-S492 PolarHBondContact ND2-OG 2.8Å
436	N	90.7	Very high	92.9	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.016	7%	0.068	C	C	.	.	S	Bend	trans	-124.4	118.3	178.3	-59.9	107.3	0	0	0	108.2	V396 G400 S432 T433 S495	V396-N436 HydrophobicContact CB-CB 4.05Å; V396-N436 HydrophobicContact CG2-CB 4.09Å; G400-N436 WeakPolarHBondContact CA-ND2 3.1Å; S432-N436 WeakPolarHBondContact CA-O 3.3Å; S432-N436 PolarHBondContact OG-O 3.38Å; T433-N436 PolarHBondContact N-O 3.03Å; T433-N436 PolarHBondContact OG1-N 3.28Å; T433-N436 PolarHBondContact OG1-OD1 3.46Å; T433-N436 VanDerWaalsContact OG1-OD1 3.09Å; N436-S495 PolarHBondContact N-OG 2.99Å; N436-S495 PolarHBondContact O-OG 2.83Å; N436-S495 VanDerWaalsContact O-OG 3.08Å
437	P	90	Very high	92.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	6%	0.059	C	C	.	.			trans	-69.5	164.1	-173.8	28.9	-34.9	0	0	0	111.4	N467 W491 R494 S495	P437-N467 WeakPolarHBondContact CG-ND2 3.49Å; P437-W491 HydrophobicContact CG-CE3 4.29Å; P437-R494 HydrophobicContact CB-CB 3.83Å; P437-R494 HydrophobicContact CG-CB 4.42Å; P437-S495 WeakPolarHBondContact CA-OG 3.46Å
438	S	89.4	Confident	92.8	Very high	15 Å²	15	10.2 Å²	10.2	11%	0.105	6%	0.058	C	C	.	.			trans	-63.2	152.3	175.3	66.6	0	0	0	0	111.6	S432 I465 N467	S432-S438 PolarHBondContact OG-N 2.89Å; S438-I465 WeakPolarHBondContact CB-O 3.45Å; S438-I465 PolarHBondContact OG-O 2.88Å; S438-N467 WeakPolarHBondContact O-CB 3.24Å; S438-N467 PolarHBondContact O-N 3.28Å
439	H	87.5	Confident	92.7	Very high	17 Å²	17	10.3 Å²	10.3	8%	0.079	6%	0.059	C	C	.	.			trans	-138.2	149.8	169.5	69	95	0	0	0	109.1	F395 F397 T431 D441 Q444	F395-H439 PolarHBondContact O-NE2 2.82Å; F397-H439 HydrophobicContact CB-CB 4.2Å; F397-H439 HydrophobicContact CD2-CB 3.7Å; F397-H439 HydrophobicContact CG-CB 4.24Å; T431-H439 PolarHBondContact O-CD2 2.73Å; T431-H439 VanDerWaalsContact O-CD2 3.27Å; T431-H439 PolarHBondContact O-NE2 3.09Å; H439-D441 VanDerWaalsContact C-N 3.27Å; H439-D441 VanDerWaalsContact ND1-CB 3.3Å; H439-D441 WeakPolarHBondContact ND1-CB 3.05Å; H439-D441 PolarHBondContact ND1-N 2.78Å; H439-D441 PolarHBondContact O-N 2.87Å; H439-Q444 PolarHBondContact CE1-OE1 3.44Å; H439-Q444 VanDerWaalsContact CE1-OE1 3.25Å
440	S	84.6	Confident	92.7	Very high	47 Å²	47	10.3 Å²	10.3	33%	0.329	6%	0.059	S	C	.	.			trans	-87.4	22.9	-170.7	62	0	0	0	0	114.4	I442 G464 N466	S440-I442 PolarHBondContact O-N 2.93Å; S440-G464 VanDerWaalsContact CB-O 3.31Å; S440-G464 WeakPolarHBondContact CB-O 3.49Å; S440-N466 PolarHBondContact N-OD1 2.96Å
441	D	89.5	Confident	92.7	Very high	52 Å²	52	10.3 Å²	10.3	28%	0.278	6%	0.059	S	C	.	.			trans	-75.5	97.8	176.3	-170.6	-26.4	0	0	0	110.7	H439 N443 Q444 L445	H439-D441 VanDerWaalsContact C-N 3.27Å; H439-D441 VanDerWaalsContact ND1-CB 3.3Å; H439-D441 WeakPolarHBondContact ND1-CB 3.05Å; H439-D441 PolarHBondContact ND1-N 2.78Å; H439-D441 PolarHBondContact O-N 2.87Å; D441-N443 VanDerWaalsContact C-N 3.25Å; D441-N443 PolarHBondContact O-N 3.04Å; D441-N443 WeakPolarHBondContact OD1-CA 3.32Å; D441-N443 VanDerWaalsContact OD1-CB 3.32Å; D441-N443 WeakPolarHBondContact OD1-CB 3.4Å; D441-N443 PolarHBondContact OD1-N 3.41Å; D441-Q444 HydrophobicContact CB-CB 4.12Å; D441-Q444 HydrophobicContact CB-CG 4.17Å; D441-Q444 PolarHBondContact O-N 3.09Å; D441-Q444 PolarHBondContact OD1-N 2.83Å; D441-Q444 VanDerWaalsContact OD1-N 3.07Å; D441-Q444 WeakPolarHBondContact OD2-CG 3.11Å; D441-Q444 PolarHBondContact OD2-NE2 3.34Å; D441-L445 PolarHBondContact O-N 3.14Å
442	I	90	Very high	92.7	Very high	30 Å²	30	10.6 Å²	10.6	15%	0.154	6%	0.061	C	C	.	.	H	α-helix	trans	-64.4	-28.6	-179.5	-159.6	151.1	0	0	0	113.2	S440 A446 T542 L545 Y618	S440-I442 PolarHBondContact O-N 2.93Å; I442-A446 VanDerWaalsContact O-CB 3.27Å; I442-A446 WeakPolarHBondContact O-CB 3.4Å; I442-A446 PolarHBondContact O-N 2.58Å; I442-T542 HydrophobicContact CD1-CG2 4.41Å; I442-L545 HydrophobicContact CD1-CD1 3.92Å; I442-L545 HydrophobicContact CG1-CD1 3.77Å; I442-L545 HydrophobicContact CG1-CD2 4.37Å; I442-Y618 HydrophobicContact CD1-CD1 4.45Å; I442-Y618 HydrophobicContact CD1-CE1 3.45Å; I442-Y618 VanDerWaalsContact CD1-CE1 3.45Å; I442-Y618 VanDerWaalsContact CD1-CZ 3.49Å; I442-Y618 VanDerWaalsContact CD1-OH 3.23Å; I442-Y618 WeakPolarHBondContact CD1-OH 3.47Å; I442-Y618 HydrophobicContact CG1-CE1 4.16Å
443	N	91	Very high	92.8	Very high	8 Å²	8	11 Å²	11	4%	0.043	7%	0.065	C	C	.	.	H	α-helix	trans	-71.1	-43.7	178.1	-66.8	-39.1	0	0	0	109.7	D441 A446 L447 I593	D441-N443 VanDerWaalsContact C-N 3.25Å; D441-N443 PolarHBondContact O-N 3.04Å; D441-N443 WeakPolarHBondContact OD1-CA 3.32Å; D441-N443 VanDerWaalsContact OD1-CB 3.32Å; D441-N443 WeakPolarHBondContact OD1-CB 3.4Å; D441-N443 PolarHBondContact OD1-N 3.41Å; N443-A446 PolarHBondContact O-N 3.25Å; N443-L447 WeakPolarHBondContact O-CB 3.15Å; N443-L447 VanDerWaalsContact O-CG 3.23Å; N443-L447 WeakPolarHBondContact O-CG 3.49Å; N443-L447 PolarHBondContact O-N 2.79Å; N443-I593 HydrophobicContact CB-CG2 3.98Å
444	Q	92.3	Very high	92.9	Very high	25 Å²	25	11.1 Å²	11.1	12%	0.117	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-46.1	174.9	-70.9	-176	47.9	0	0	111.2	F395 T431 H439 D441 A446 L447 T448	F395-Q444 PolarHBondContact O-OE1 2.98Å; T431-Q444 HydrophobicContact CG2-CB 4.08Å; H439-Q444 PolarHBondContact CE1-OE1 3.44Å; H439-Q444 VanDerWaalsContact CE1-OE1 3.25Å; D441-Q444 HydrophobicContact CB-CB 4.12Å; D441-Q444 HydrophobicContact CB-CG 4.17Å; D441-Q444 PolarHBondContact O-N 3.09Å; D441-Q444 PolarHBondContact OD1-N 2.83Å; D441-Q444 VanDerWaalsContact OD1-N 3.07Å; D441-Q444 WeakPolarHBondContact OD2-CG 3.11Å; D441-Q444 PolarHBondContact OD2-NE2 3.34Å; Q444-A446 VanDerWaalsContact C-N 3.32Å; Q444-A446 PolarHBondContact O-N 3.06Å; Q444-L447 WeakPolarHBondContact O-CB 3.42Å; Q444-L447 PolarHBondContact O-N 2.92Å; Q444-L447 VanDerWaalsContact O-N 3.16Å; Q444-T448 WeakPolarHBondContact O-CG2 3.2Å; Q444-T448 PolarHBondContact O-N 3.36Å
445	L	94.5	Very high	93.2	Very high	9 Å²	9	11.1 Å²	11.1	5%	0.047	7%	0.065	C	C	.	.	H	α-helix	trans	-56.4	-47	175.4	179.5	59.4	0	0	0	111.3	T431 D441 L447 T448 T542 V546	T431-L445 HydrophobicContact CG2-CB 4.29Å; D441-L445 PolarHBondContact O-N 3.14Å; L445-L447 PolarHBondContact O-N 3.06Å; L445-T448 PolarHBondContact O-N 2.74Å; L445-T448 PolarHBondContact O-OG1 2.98Å; L445-T542 HydrophobicContact CD2-CG2 3.74Å; L445-V546 HydrophobicContact CD2-CG2 3.82Å; L445-V546 HydrophobicContact CG-CG2 4.35Å
446	A	95.3	Very high	93.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-41.4	177.2	0	0	0	0	0	112.7	I442 N443 Q444 T448 L449 L450 L549 I646	I442-A446 VanDerWaalsContact O-CB 3.27Å; I442-A446 WeakPolarHBondContact O-CB 3.4Å; I442-A446 PolarHBondContact O-N 2.58Å; N443-A446 PolarHBondContact O-N 3.25Å; Q444-A446 VanDerWaalsContact C-N 3.32Å; Q444-A446 PolarHBondContact O-N 3.06Å; A446-T448 VanDerWaalsContact C-N 3.32Å; A446-T448 PolarHBondContact O-N 2.7Å; A446-L449 PolarHBondContact O-N 3.21Å; A446-L449 VanDerWaalsContact O-N 3.08Å; A446-L450 HydrophobicContact CB-CD1 4.15Å; A446-L450 WeakPolarHBondContact O-CB 3.48Å; A446-L450 WeakPolarHBondContact O-CD1 3.41Å; A446-L450 WeakPolarHBondContact O-CG 3.44Å; A446-L450 PolarHBondContact O-N 3.35Å; A446-L549 HydrophobicContact CB-CD1 3.67Å; A446-I646 HydrophobicContact CB-CD1 3.48Å; A446-I646 VanDerWaalsContact CB-CD1 3.48Å; A446-I646 HydrophobicContact CB-CG1 4.28Å; A446-I646 HydrophobicContact CB-CG2 4.33Å
447	L	95.4	Very high	93.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.8	-41.1	177	-78.4	170.4	0	0	0	111.9	F395 I413 N443 Q444 L445 L449 L450 L451 F579 I593	F395-L447 HydrophobicContact CE1-CB 4.2Å; F395-L447 HydrophobicContact CE1-CD1 4.38Å; I413-L447 HydrophobicContact CD1-CD2 4.36Å; N443-L447 WeakPolarHBondContact O-CB 3.15Å; N443-L447 VanDerWaalsContact O-CG 3.23Å; N443-L447 WeakPolarHBondContact O-CG 3.49Å; N443-L447 PolarHBondContact O-N 2.79Å; Q444-L447 WeakPolarHBondContact O-CB 3.42Å; Q444-L447 PolarHBondContact O-N 2.92Å; Q444-L447 VanDerWaalsContact O-N 3.16Å; L445-L447 PolarHBondContact O-N 3.06Å; L447-L449 PolarHBondContact O-N 3.27Å; L447-L450 PolarHBondContact O-N 2.67Å; L447-L450 VanDerWaalsContact O-N 3.11Å; L447-L451 HydrophobicContact CB-CD1 4.11Å; L447-L451 HydrophobicContact CD2-CD1 4.36Å; L447-L451 HydrophobicContact CD2-CG 4.33Å; L447-L451 WeakPolarHBondContact O-CB 3.33Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.08Å; L447-F579 HydrophobicContact CD2-CE1 3.92Å; L447-F579 HydrophobicContact CD2-CZ 4.44Å; L447-I593 HydrophobicContact CD2-CD1 4.44Å; L447-I593 HydrophobicContact CD2-CG1 3.95Å; L447-I593 HydrophobicContact CG-CG1 4.33Å
448	T	96.3	Very high	94.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-29.9	176.7	68.7	0	0	0	0	113	F395 L429 T431 Q444 L445 A446	F395-T448 HydrophobicContact CB-CG2 3.94Å; F395-T448 HydrophobicContact CD2-CG2 4.23Å; F395-T448 HydrophobicContact CG-CG2 4.03Å; L429-T448 HydrophobicContact CB-CG2 4.11Å; T431-T448 HydrophobicContact CG2-CG2 3.96Å; Q444-T448 WeakPolarHBondContact O-CG2 3.2Å; Q444-T448 PolarHBondContact O-N 3.36Å; L445-T448 PolarHBondContact O-N 2.74Å; L445-T448 PolarHBondContact O-OG1 2.98Å; A446-T448 VanDerWaalsContact C-N 3.32Å; A446-T448 PolarHBondContact O-N 2.7Å
449	L	97	Very high	94.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-89.8	-21	178.3	-70.2	165	0	0	0	113.6	V125 A446 L447 P455 L549 V550 R553	V125-L449 HydrophobicContact CG1-CD2 4.41Å; V125-L449 HydrophobicContact CG2-CD2 4.32Å; A446-L449 PolarHBondContact O-N 3.21Å; A446-L449 VanDerWaalsContact O-N 3.08Å; L447-L449 PolarHBondContact O-N 3.27Å; L449-P455 HydrophobicContact CD2-CB 3.8Å; L449-P455 HydrophobicContact CD2-CG 4.33Å; L449-L549 HydrophobicContact CB-CB 4.08Å; L449-L549 HydrophobicContact CB-CD1 4.37Å; L449-L549 HydrophobicContact CD1-CB 3.75Å; L449-L549 HydrophobicContact CD1-CD1 4.01Å; L449-V550 HydrophobicContact CD1-CG2 4.42Å; L449-V550 HydrophobicContact CD2-CG2 3.9Å; L449-R553 PolarHBondContact O-NH1 2.96Å
450	L	97	Very high	94.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-100	-25.7	-174.4	-68.4	167.4	0	0	0	113.7	A446 L447 L549 L552 M558 F579 R581 V591 I593 I646 V648	A446-L450 HydrophobicContact CB-CD1 4.15Å; A446-L450 WeakPolarHBondContact O-CB 3.48Å; A446-L450 WeakPolarHBondContact O-CD1 3.41Å; A446-L450 WeakPolarHBondContact O-CG 3.44Å; A446-L450 PolarHBondContact O-N 3.35Å; L447-L450 PolarHBondContact O-N 2.67Å; L447-L450 VanDerWaalsContact O-N 3.11Å; L450-L549 HydrophobicContact CD1-CD2 4.22Å; L450-L549 HydrophobicContact CD2-CD2 3.82Å; L450-L549 HydrophobicContact CG-CD2 4.11Å; L450-L552 HydrophobicContact CD2-CD2 3.97Å; L450-M558 HydrophobicContact CB-CE 4.37Å; L450-M558 HydrophobicContact CD2-CE 3.37Å; L450-M558 HydrophobicContact CG-CE 4.47Å; L450-F579 HydrophobicContact CB-CZ 4.04Å; L450-R581 PolarHBondContact O-NH1 2.71Å; L450-V591 HydrophobicContact CB-CG1 4.24Å; L450-V591 HydrophobicContact CD1-CG1 3.78Å; L450-V591 HydrophobicContact CD2-CG2 4.34Å; L450-V591 HydrophobicContact CG-CG1 4.43Å; L450-I593 HydrophobicContact CD1-CD1 4.48Å; L450-I646 HydrophobicContact CD1-CG2 3.89Å; L450-V648 HydrophobicContact CD1-CG2 4.41Å; L450-V648 HydrophobicContact CD2-CG2 3.84Å
451	L	96.8	Very high	95.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-76.4	159.6	177.2	-69.1	169.4	0	0	0	112	F395 I413 Y416 L429 L447 R553 M563 F579 R581	F395-L451 HydrophobicContact CE1-CD1 4.06Å; F395-L451 HydrophobicContact CE2-CD1 4.14Å; F395-L451 HydrophobicContact CZ-CD1 3.39Å; I413-L451 HydrophobicContact CG1-CD2 4.49Å; Y416-L451 HydrophobicContact CD1-CD1 3.91Å; Y416-L451 HydrophobicContact CD1-CD2 3.94Å; Y416-L451 HydrophobicContact CD1-CG 4.41Å; Y416-L451 HydrophobicContact CD2-CD1 4.41Å; Y416-L451 HydrophobicContact CE1-CB 4.06Å; Y416-L451 HydrophobicContact CE1-CD1 4.08Å; Y416-L451 HydrophobicContact CE1-CD2 3.88Å; Y416-L451 HydrophobicContact CE1-CG 4.23Å; Y416-L451 HydrophobicContact CG-CD1 4.09Å; L429-L451 HydrophobicContact CD1-CB 3.83Å; L429-L451 HydrophobicContact CD1-CD1 4.48Å; L447-L451 HydrophobicContact CB-CD1 4.11Å; L447-L451 HydrophobicContact CD2-CD1 4.36Å; L447-L451 HydrophobicContact CD2-CG 4.33Å; L447-L451 WeakPolarHBondContact O-CB 3.33Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.08Å; L451-R553 PolarHBondContact O-NH1 2.87Å; L451-M563 HydrophobicContact CD2-CE 3.7Å; L451-M563 HydrophobicContact CD2-SD 3.63Å; L451-F579 HydrophobicContact CD2-CD1 4.46Å; L451-F579 HydrophobicContact CD2-CE1 3.92Å; L451-F579 HydrophobicContact CD2-CE2 4.08Å; L451-F579 HydrophobicContact CD2-CZ 3.69Å; L451-F579 HydrophobicContact CG-CZ 4.24Å; L451-R581 PolarHBondContact O-NH1 2.74Å
452	P	96.5	Very high	95.4	Very high	9 Å²	9	6 Å²	6	6%	0.058	3%	0.033	C	C	.	.	S	Bend	trans	-54.6	158.8	162.6	-20	31.4	0	0	0	111.7	Y416 K424 L429 M563	Y416-P452 VanDerWaalsContact OH-C 3.32Å; Y416-P452 PolarHBondContact OH-O 3.04Å; K424-P452 HydrophobicContact CB-CB 4.28Å; K424-P452 HydrophobicContact CD-CB 4.42Å; K424-P452 HydrophobicContact CD-CG 4.43Å; L429-P452 VanDerWaalsContact CD1-O 3.26Å; L429-P452 WeakPolarHBondContact CD1-O 3.45Å; P452-M563 HydrophobicContact CG-CB 3.53Å
453	G	96.1	Very high	95.5	Very high	9 Å²	9	4.6 Å²	4.6	9%	0.093	3%	0.026	C	C	.	.	S	Bend	trans	110.4	-158.8	-179.9	0	0	0	0	0	114	K424 R553	K424-G453 WeakPolarHBondContact O-CA 3.28Å; G453-R553 PolarHBondContact O-NH2 3.22Å
454	L	97.7	Very high	95.5	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.021	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	92.6	-163.7	-46.6	176.7	0	0	0	109.1	W121 K122 L389 L427 G428 L429 I456	W121-L454 WeakPolarHBondContact O-CD2 3.37Å; K122-L454 HydrophobicContact CB-CD2 4.23Å; K122-L454 HydrophobicContact CG-CD2 3.7Å; L389-L454 HydrophobicContact CB-CD1 3.93Å; L389-L454 HydrophobicContact CD1-CB 3.93Å; L389-L454 HydrophobicContact CD1-CD1 3.66Å; L389-L454 HydrophobicContact CD1-CG 4.43Å; L389-L454 HydrophobicContact CG-CB 4.47Å; L389-L454 HydrophobicContact CG-CD1 3.68Å; L427-L454 PolarHBondContact O-N 2.82Å; G428-L454 CarbonylContact C-O 3.56Å; G428-L454 VanDerWaalsContact CA-O 3.24Å; G428-L454 WeakPolarHBondContact CA-O 3.31Å; L429-L454 PolarHBondContact N-O 2.92Å; L454-I456 PolarHBondContact O-N 3.04Å
455	P	98.1	Very high	95.2	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.013	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.6	-174.3	29.6	-38	0	0	0	110.9	V125 G126 L429 L449 R553	V125-P455 HydrophobicContact CB-CG 4.26Å; V125-P455 HydrophobicContact CG1-CB 4.28Å; V125-P455 HydrophobicContact CG1-CG 4.19Å; V125-P455 HydrophobicContact CG2-CG 3.79Å; G126-P455 PolarHBondContact N-O 3.32Å; L429-P455 WeakPolarHBondContact O-CA 3.24Å; L449-P455 HydrophobicContact CD2-CB 3.8Å; L449-P455 HydrophobicContact CD2-CG 4.33Å; P455-R553 VanDerWaalsContact CG-NE 3.3Å
456	I	98.3	Very high	94.9	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.5	174.6	-62.5	167	0	0	0	107.3	G126 W128 I165 L389 I391 L429 T430 L454	G126-I456 WeakPolarHBondContact O-CA 3.2Å; W128-I456 HydrophobicContact CB-CG2 3.74Å; W128-I456 HydrophobicContact CE3-CG2 4.47Å; I165-I456 HydrophobicContact CD1-CD1 4Å; I165-I456 HydrophobicContact CD1-CG2 4.37Å; L389-I456 HydrophobicContact CD1-CD1 3.93Å; L389-I456 HydrophobicContact CD2-CD1 3.93Å; I391-I456 HydrophobicContact CD1-CD1 3.42Å; I391-I456 VanDerWaalsContact CD1-CD1 3.42Å; L429-I456 PolarHBondContact O-N 3.25Å; T430-I456 WeakPolarHBondContact CA-O 3.25Å; T430-I456 WeakPolarHBondContact CB-O 3.48Å; T430-I456 PolarHBondContact OG1-O 2.92Å; L454-I456 PolarHBondContact O-N 3.04Å
457	I	97.9	Very high	94.3	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.3	172.7	-63.6	168.8	0	0	0	106.7	V125 G126 Y127 W128 V159 T461 E462 V546 V550	V125-I457 HydrophobicContact CG1-CD1 3.9Å; V125-I457 HydrophobicContact CG1-CG1 4.12Å; G126-I457 PolarHBondContact O-N 3.16Å; Y127-I457 CarbonylContact C-O 3.55Å; Y127-I457 VanDerWaalsContact CA-O 3.32Å; Y127-I457 WeakPolarHBondContact CA-O 3.37Å; Y127-I457 HydrophobicContact CD2-CB 4.02Å; Y127-I457 HydrophobicContact CD2-CG2 3.92Å; Y127-I457 WeakPolarHBondContact CD2-O 3.46Å; Y127-I457 HydrophobicContact CE2-CB 4.47Å; Y127-I457 HydrophobicContact CE2-CG2 3.86Å; W128-I457 PolarHBondContact N-O 2.77Å; V159-I457 HydrophobicContact CG1-CD1 3.76Å; V159-I457 HydrophobicContact CG1-CG2 4.48Å; I457-T461 WeakPolarHBondContact CG2-OG1 3.46Å; I457-E462 HydrophobicContact CG2-CB 4.01Å; I457-E462 WeakPolarHBondContact CG2-OE2 3.47Å; I457-V546 HydrophobicContact CD1-CG1 3.56Å; I457-V550 HydrophobicContact CD1-CG2 4.3Å
458	Y	97.1	Very high	93.8	Very high	5 Å²	5	6.7 Å²	6.7	2%	0.02	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.6	170.4	-168.8	-99.8	0	0	0	109.1	W128 S432 T433 G460 T461 S495	W128-Y458 HydrophobicContact CB-CD2 3.88Å; W128-Y458 AromaticContact CD2-CD2 3.89Å; W128-Y458 HydrophobicContact CD2-CD2 3.89Å; W128-Y458 HydrophobicContact CD2-CE2 4.1Å; W128-Y458 HydrophobicContact CE3-CD2 4.2Å; W128-Y458 AromaticContact CG-CD2 3.74Å; W128-Y458 HydrophobicContact CG-CD2 3.74Å; W128-Y458 HydrophobicContact CG-CE2 4.01Å; W128-Y458 CarbonylContact O-C 3.53Å; W128-Y458 VanDerWaalsContact O-CA 3.27Å; W128-Y458 WeakPolarHBondContact O-CA 3.41Å; W128-Y458 WeakPolarHBondContact O-CD2 3.45Å; S432-Y458 WeakPolarHBondContact O-CB 3.38Å; S432-Y458 VanDerWaalsContact OG-CD1 3.32Å; S432-Y458 WeakPolarHBondContact OG-CD1 3.35Å; T433-Y458 VanDerWaalsContact C-CE2 3.41Å; Y458-G460 PolarHBondContact O-N 2.93Å; Y458-T461 WeakPolarHBondContact O-CB 3.48Å; Y458-T461 WeakPolarHBondContact O-CG2 3.38Å; Y458-T461 PolarHBondContact O-N 2.95Å; Y458-T461 PolarHBondContact O-OG1 3.3Å; Y458-S495 VanDerWaalsContact CE1-O 3.3Å; Y458-S495 WeakPolarHBondContact CE1-O 3.3Å; Y458-S495 PolarHBondContact OH-O 2Å
459	Y	96.6	Very high	93	Very high	13 Å²	13	13.8 Å²	13.8	5%	0.051	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	141.8	-173.6	84.3	-73.5	0	0	0	112.4	Y127 W128 L129 D130 A133 F134 T461 S495 H496 L497 M499	Y127-Y459 WeakPolarHBondContact OH-CA 3.35Å; Y127-Y459 WeakPolarHBondContact OH-CB 3.32Å; W128-Y459 PolarHBondContact O-N 3.48Å; L129-Y459 HydrophobicContact CB-CD1 4.23Å; L129-Y459 HydrophobicContact CB-CG 4.21Å; D130-Y459 HydrophobicContact CB-CE1 3.91Å; A133-Y459 HydrophobicContact CB-CE2 3.86Å; A133-Y459 WeakPolarHBondContact CB-OH 3.24Å; F134-Y459 HydrophobicContact CD2-CD2 4.21Å; Y459-T461 PolarHBondContact O-N 3.48Å; Y459-S495 PolarHBondContact OH-O 2.83Å; Y459-H496 VanDerWaalsContact OH-C 3.28Å; Y459-H496 WeakPolarHBondContact OH-CA 3.49Å; Y459-L497 VanDerWaalsContact CE2-O 3.31Å; Y459-L497 WeakPolarHBondContact CE2-O 3.35Å; Y459-L497 PolarHBondContact OH-N 3.29Å; Y459-L497 PolarHBondContact OH-O 2.84Å; Y459-M499 HydrophobicContact CD2-CB 4.07Å; Y459-M499 HydrophobicContact CD2-CG 4.44Å; Y459-M499 HydrophobicContact CD2-SD 3.8Å; Y459-M499 HydrophobicContact CE2-CB 4.24Å
460	G	93.1	Very high	91.8	Very high	3 Å²	3	17 Å²	17	3%	0.031	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-28.9	-175.6	0	0	0	0	0	113.8	Y458 E462 T463 I465	Y458-G460 PolarHBondContact O-N 2.93Å; G460-E462 WeakPolarHBondContact CA-OE1 3.4Å; G460-E462 PolarHBondContact N-OE1 3.37Å; G460-E462 PolarHBondContact N-OE2 2.8Å; G460-E462 PolarHBondContact O-N 2.87Å; G460-T463 WeakPolarHBondContact O-CB 3.47Å; G460-T463 PolarHBondContact O-N 3.23Å; G460-T463 PolarHBondContact O-OG1 3.49Å; G460-I465 WeakPolarHBondContact O-CG2 3.45Å
461	T	93.4	Very high	91	Very high	4 Å²	4	25 Å²	25	3%	0.025	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-63.4	-30.3	179.2	62.3	0	0	0	0	112.6	S432 I457 Y458 Y459 T463 G464	S432-T461 VanDerWaalsContact CB-CG2 3.43Å; I457-T461 WeakPolarHBondContact CG2-OG1 3.46Å; Y458-T461 WeakPolarHBondContact O-CB 3.48Å; Y458-T461 WeakPolarHBondContact O-CG2 3.38Å; Y458-T461 PolarHBondContact O-N 2.95Å; Y458-T461 PolarHBondContact O-OG1 3.3Å; Y459-T461 PolarHBondContact O-N 3.48Å; T461-T463 PolarHBondContact O-N 3.32Å; T461-G464 PolarHBondContact O-N 2.82Å
462	E	94	Very high	90.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-64.8	-18.9	174.6	70.2	-69.9	162.8	0	0	113.4	Y127 Y154 V159 I457 G460 G464 M499 T542 L543 V546	Y127-E462 PolarHBondContact OH-OE1 2.85Å; Y154-E462 WeakPolarHBondContact OH-CG 3.2Å; Y154-E462 PolarHBondContact OH-OE1 3.3Å; Y154-E462 VanDerWaalsContact OH-OE1 3.13Å; V159-E462 HydrophobicContact CG2-CG 4.45Å; I457-E462 HydrophobicContact CG2-CB 4.01Å; I457-E462 WeakPolarHBondContact CG2-OE2 3.47Å; G460-E462 WeakPolarHBondContact CA-OE1 3.4Å; G460-E462 PolarHBondContact N-OE1 3.37Å; G460-E462 PolarHBondContact N-OE2 2.8Å; G460-E462 PolarHBondContact O-N 2.87Å; E462-G464 VanDerWaalsContact C-N 3.34Å; E462-M499 WeakPolarHBondContact OE1-CE 3.27Å; E462-T542 CarbonylContact O-C 3.38Å; E462-L543 HydrophobicContact CB-CD1 3.96Å; E462-L543 HydrophobicContact CG-CD1 3.7Å; E462-L543 VanDerWaalsContact O-CA 3.26Å; E462-L543 WeakPolarHBondContact O-CA 3.47Å; E462-L543 PolarHBondContact O-N 2.84Å; E462-L543 VanDerWaalsContact O-N 3.14Å; E462-V546 HydrophobicContact CB-CB 4.49Å; E462-V546 HydrophobicContact CB-CG1 4.26Å; E462-V546 HydrophobicContact CB-CG2 4.2Å
463	T	92	Very high	89.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-86.2	-7.2	172.8	72.9	0	0	0	0	112.2	G460 T461 I465 M499 P500 V530 Q533	G460-T463 WeakPolarHBondContact O-CB 3.47Å; G460-T463 PolarHBondContact O-N 3.23Å; G460-T463 PolarHBondContact O-OG1 3.49Å; T461-T463 PolarHBondContact O-N 3.32Å; T463-I465 PolarHBondContact O-N 3.42Å; T463-M499 HydrophobicContact CG2-CE 4.2Å; T463-P500 HydrophobicContact CG2-CG 4.26Å; T463-V530 HydrophobicContact CG2-CG2 3.82Å; T463-Q533 VanDerWaalsContact C-NE2 3.34Å; T463-Q533 VanDerWaalsContact CB-NE2 3.25Å; T463-Q533 PolarHBondContact O-NE2 3.38Å
464	G	89.2	Confident	89	Confident	11 Å²	11	28 Å²	28	11%	0.113	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	20	-176.3	0	0	0	0	0	113.7	S440 T461 E462 N466	S440-G464 VanDerWaalsContact CB-O 3.31Å; S440-G464 WeakPolarHBondContact CB-O 3.49Å; T461-G464 PolarHBondContact O-N 2.82Å; E462-G464 VanDerWaalsContact C-N 3.34Å; G464-N466 PolarHBondContact O-N 3.36Å
465	I	87.9	Confident	88.6	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-64.2	128.7	178	-160.2	161.9	0	0	0	110.5	S438 G460 T463 P500 Y524	S438-I465 WeakPolarHBondContact CB-O 3.45Å; S438-I465 PolarHBondContact OG-O 2.88Å; G460-I465 WeakPolarHBondContact O-CG2 3.45Å; T463-I465 PolarHBondContact O-N 3.42Å; I465-P500 HydrophobicContact CD1-CB 4.07Å; I465-P500 HydrophobicContact CD1-CG 3.84Å; I465-Y524 HydrophobicContact CD1-CD1 4.03Å; I465-Y524 HydrophobicContact CD1-CD2 3.73Å; I465-Y524 HydrophobicContact CD1-CE1 3.72Å; I465-Y524 HydrophobicContact CD1-CE2 3.4Å; I465-Y524 VanDerWaalsContact CD1-CE2 3.4Å; I465-Y524 HydrophobicContact CD1-CG 4.02Å; I465-Y524 HydrophobicContact CG1-CD1 3.55Å; I465-Y524 HydrophobicContact CG1-CD2 4.09Å; I465-Y524 HydrophobicContact CG1-CE1 3.51Å; I465-Y524 HydrophobicContact CG1-CE2 4.06Å; I465-Y524 HydrophobicContact CG1-CG 3.83Å
466	N	87.6	Confident	88.3	Confident	34 Å²	34	40 Å²	40	18%	0.182	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-82.3	171.6	179.9	-159	9.3	0	0	0	110.9	S440 G464 Y524	S440-N466 PolarHBondContact N-OD1 2.96Å; G464-N466 PolarHBondContact O-N 3.36Å; N466-Y524 WeakPolarHBondContact O-CD1 3.17Å; N466-Y524 WeakPolarHBondContact O-CE1 3.02Å
467	N	82.9	Confident	88.1	Confident	33 Å²	33	40 Å²	40	18%	0.176	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.4	136.1	174.3	-164.5	-3	0	0	0	111.3	P437 S438 R494	P437-N467 WeakPolarHBondContact CG-ND2 3.49Å; S438-N467 WeakPolarHBondContact O-CB 3.24Å; S438-N467 PolarHBondContact O-N 3.28Å; N467-R494 VanDerWaalsContact CG-NH1 3.28Å; N467-R494 PolarHBondContact ND2-NH1 3.25Å; N467-R494 VanDerWaalsContact OD1-CD 3.25Å; N467-R494 WeakPolarHBondContact OD1-CD 3.3Å; N467-R494 PolarHBondContact OD1-NE 2.72Å; N467-R494 PolarHBondContact OD1-NH1 3.17Å
468	M	84.3	Confident	87.9	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-85.7	144.2	177.3	-179.1	169.8	-83.7	0	0	111.6	A472 I473 R494 L497 Y520 Y524	M468-A472 HydrophobicContact CG-CB 3.9Å; M468-A472 HydrophobicContact SD-CB 4.11Å; M468-I473 HydrophobicContact CG-CG1 4.28Å; M468-I473 HydrophobicContact SD-CG1 3.94Å; M468-R494 WeakPolarHBondContact O-CD 3.42Å; M468-R494 PolarHBondContact O-NH1 2.67Å; M468-L497 HydrophobicContact CB-CD1 3.94Å; M468-L497 HydrophobicContact SD-CD1 4.01Å; M468-Y520 HydrophobicContact CE-CD2 3.63Å; M468-Y520 HydrophobicContact CE-CE2 3.65Å; M468-Y520 WeakPolarHBondContact CE-O 3.34Å; M468-Y520 HydrophobicContact SD-CD2 4.15Å; M468-Y520 HydrophobicContact SD-CE2 4.11Å; M468-Y524 HydrophobicContact CB-CD1 4.14Å; M468-Y524 HydrophobicContact CB-CE1 3.63Å; M468-Y524 HydrophobicContact CE-CD1 4.19Å; M468-Y524 HydrophobicContact CE-CD2 3.48Å; M468-Y524 VanDerWaalsContact CE-CD2 3.48Å; M468-Y524 HydrophobicContact CE-CE1 3.93Å; M468-Y524 HydrophobicContact CE-CE2 3.16Å; M468-Y524 HydrophobicContact CE-CG 4Å; M468-Y524 VanDerWaalsContact CE-CZ 3.43Å
469	E	78.9	Confident	87.8	Confident	150 Å²	150	39.8 Å²	39.8	70%	0.701	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-70.4	138.5	167.2	-69.4	-163.5	169.8	0	0	111.2	L471 A472	E469-L471 VanDerWaalsContact C-N 3.3Å; E469-L471 PolarHBondContact O-N 3.48Å; E469-L471 VanDerWaalsContact O-N 3.15Å; E469-A472 WeakPolarHBondContact O-CB 3.07Å; E469-A472 PolarHBondContact O-N 2.88Å
470	L	73	Confident	87.7	Confident	69 Å²	69	42.7 Å²	42.7	36%	0.361	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-48.5	-47.7	-176.1	171.7	61.8	0	0	0	114.3	A472 I473 F490	L470-A472 PolarHBondContact O-N 3.12Å; L470-A472 VanDerWaalsContact O-N 3.15Å; L470-I473 HydrophobicContact CD1-CD1 4.05Å; L470-I473 WeakPolarHBondContact O-CB 2.89Å; L470-I473 WeakPolarHBondContact O-CG1 3.4Å; L470-I473 PolarHBondContact O-N 3.37Å; L470-F490 HydrophobicContact CB-CD2 4.41Å; L470-F490 HydrophobicContact CD1-CB 3.82Å; L470-F490 HydrophobicContact CD1-CD1 3.3Å; L470-F490 HydrophobicContact CD1-CD2 3.36Å; L470-F490 HydrophobicContact CD1-CE1 3.59Å; L470-F490 HydrophobicContact CD1-CE2 3.71Å; L470-F490 HydrophobicContact CD1-CG 3.19Å; L470-F490 HydrophobicContact CD1-CZ 3.8Å; L470-F490 HydrophobicContact CD2-CD2 3.3Å; L470-F490 HydrophobicContact CD2-CE1 4.35Å; L470-F490 HydrophobicContact CD2-CE2 3.07Å; L470-F490 HydrophobicContact CD2-CG 4.12Å; L470-F490 HydrophobicContact CD2-CZ 3.65Å; L470-F490 HydrophobicContact CG-CD1 4.5Å; L470-F490 HydrophobicContact CG-CD2 3.81Å; L470-F490 HydrophobicContact CG-CE2 3.95Å; L470-F490 HydrophobicContact CG-CG 4.15Å; L470-F490 HydrophobicContact CG-CZ 4.31Å
471	L	79.2	Confident	87.5	Confident	169 Å²	169	44.5 Å²	44.5	89%	0.885	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-67.6	-15.3	-173.9	-65.5	174.8	0	0	0	112.5	E469	E469-L471 VanDerWaalsContact C-N 3.3Å; E469-L471 PolarHBondContact O-N 3.48Å; E469-L471 VanDerWaalsContact O-N 3.15Å
472	A	83.2	Confident	87.5	Confident	38 Å²	38	45.2 Å²	45.2	31%	0.314	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-87.8	-8.7	175.8	0	0	0	0	0	113.2	M468 E469 L470 P474	M468-A472 HydrophobicContact CG-CB 3.9Å; M468-A472 HydrophobicContact SD-CB 4.11Å; E469-A472 WeakPolarHBondContact O-CB 3.07Å; E469-A472 PolarHBondContact O-N 2.88Å; L470-A472 PolarHBondContact O-N 3.12Å; L470-A472 VanDerWaalsContact O-N 3.15Å; A472-P474 VanDerWaalsContact O-CD 3.32Å; A472-P474 WeakPolarHBondContact O-CD 3.5Å
473	I	82.2	Confident	87.4	Confident	27 Å²	27	47.5 Å²	47.5	14%	0.138	25%	0.253	C	S	.	.	S	Bend	trans	-69	118.7	-179.9	-59.9	175.8	0	0	0	109.5	M468 L470 K475 R494 L497	M468-I473 HydrophobicContact CG-CG1 4.28Å; M468-I473 HydrophobicContact SD-CG1 3.94Å; L470-I473 HydrophobicContact CD1-CD1 4.05Å; L470-I473 WeakPolarHBondContact O-CB 2.89Å; L470-I473 WeakPolarHBondContact O-CG1 3.4Å; L470-I473 PolarHBondContact O-N 3.37Å; I473-K475 PolarHBondContact O-N 2.98Å; I473-R494 HydrophobicContact CD1-CG 3.75Å; I473-L497 HydrophobicContact CD1-CD2 4.35Å; I473-L497 HydrophobicContact CG1-CD2 4.26Å; I473-L497 HydrophobicContact CG2-CD2 3.77Å
474	P	82.8	Confident	87.5	Confident	16 Å²	16	47.7 Å²	47.7	10%	0.104	25%	0.254	C	S	.	.			trans	-65.2	132.1	179.9	28.3	-38.2	0	0	0	111.4	A472 N476 L477 Y520	A472-P474 VanDerWaalsContact O-CD 3.32Å; A472-P474 WeakPolarHBondContact O-CD 3.5Å; P474-N476 VanDerWaalsContact C-N 3.35Å; P474-L477 HydrophobicContact CB-CB 4.11Å; P474-L477 HydrophobicContact CB-CD1 4.11Å; P474-L477 HydrophobicContact CB-CG 4.3Å; P474-L477 HydrophobicContact CG-CB 3.77Å; P474-L477 HydrophobicContact CG-CD1 3.79Å; P474-L477 HydrophobicContact CG-CG 4.22Å; P474-Y520 HydrophobicContact CG-CD2 3.9Å; P474-Y520 HydrophobicContact CG-CG 4.21Å
475	K	89.9	Confident	87.6	Confident	175 Å²	175	47.1 Å²	47.1	76%	0.761	25%	0.249	S	C	*	.	S	Bend	trans	-79.7	-16.6	177	-67.5	-174.9	179.4	-179.5	0	113.8	I473 K480	I473-K475 PolarHBondContact O-N 2.98Å; K475-K480 CarbonylContact O-C 3.58Å; K475-K480 VanDerWaalsContact O-C 3.24Å; K475-K480 VanDerWaalsContact O-CA 3.24Å; K475-K480 WeakPolarHBondContact O-CA 3.44Å
476	N	91.4	Very high	87.6	Confident	82 Å²	82	49.8 Å²	49.8	44%	0.439	26%	0.263	S	S	.	.	S	Bend	trans	-101.5	-11.4	-176.1	60.3	-24.9	0	0	0	113.9	P474 T516	P474-N476 VanDerWaalsContact C-N 3.35Å; N476-T516 VanDerWaalsContact CG-CG2 3.48Å; N476-T516 WeakPolarHBondContact ND2-CG2 3.46Å; N476-T516 PolarHBondContact ND2-OG1 2.87Å; N476-T516 VanDerWaalsContact ND2-OG1 3.17Å; N476-T516 VanDerWaalsContact OD1-CG2 3.24Å; N476-T516 WeakPolarHBondContact OD1-CG2 3.27Å
477	L	93.4	Very high	87.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-98.7	158.2	168.1	-69.8	171.1	0	0	0	109.9	L141 P474 K480 P498 F508 L512 T516 F517 Y520	L141-L477 HydrophobicContact CD1-CD2 4.4Å; P474-L477 HydrophobicContact CB-CB 4.11Å; P474-L477 HydrophobicContact CB-CD1 4.11Å; P474-L477 HydrophobicContact CB-CG 4.3Å; P474-L477 HydrophobicContact CG-CB 3.77Å; P474-L477 HydrophobicContact CG-CD1 3.79Å; P474-L477 HydrophobicContact CG-CG 4.22Å; L477-K480 WeakPolarHBondContact O-CA 3.45Å; L477-K480 PolarHBondContact O-N 2.79Å; L477-P498 HydrophobicContact CB-CG 4.18Å; L477-F508 HydrophobicContact CD2-CE1 4.46Å; L477-L512 HydrophobicContact CD2-CD1 4.2Å; L477-L512 HydrophobicContact CD2-CD2 3.99Å; L477-T516 HydrophobicContact CD1-CG2 3.73Å; L477-T516 HydrophobicContact CD2-CG2 4.27Å; L477-T516 HydrophobicContact CG-CG2 3.67Å; L477-F517 HydrophobicContact CD1-CD2 3.88Å; L477-F517 HydrophobicContact CD2-CD2 4.27Å; L477-Y520 HydrophobicContact CD1-CD1 4.39Å; L477-Y520 HydrophobicContact CD1-CG 4.19Å
478	Y	94.7	Very high	87.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	132.7	173	178.7	-95.2	0	0	0	110.8	D130 F132 A133 I142 Y174 L181 H496 P498	D130-Y478 WeakPolarHBondContact OD2-CE1 3.47Å; D130-Y478 PolarHBondContact OD2-OH 3.18Å; F132-Y478 HydrophobicContact CB-CD2 3.93Å; F132-Y478 HydrophobicContact CB-CE1 3.96Å; F132-Y478 HydrophobicContact CB-CE2 3.31Å; F132-Y478 WeakPolarHBondContact CB-OH 3.31Å; F132-Y478 HydrophobicContact CG-CE2 4.15Å; A133-Y478 HydrophobicContact CB-CD1 3.77Å; A133-Y478 HydrophobicContact CB-CE1 3.71Å; I142-Y478 HydrophobicContact CG2-CD2 4.18Å; Y174-Y478 HydrophobicContact CD2-CD2 4.2Å; Y174-Y478 AromaticContact CD2-CE2 3.61Å; Y174-Y478 HydrophobicContact CD2-CE2 3.61Å; Y174-Y478 AromaticContact CE2-CD2 3.83Å; Y174-Y478 HydrophobicContact CE2-CD2 3.83Å; Y174-Y478 AromaticContact CE2-CE2 3.71Å; Y174-Y478 HydrophobicContact CE2-CE2 3.71Å; L181-Y478 HydrophobicContact CD2-CE2 4.5Å; Y478-H496 WeakPolarHBondContact CD1-O 3.26Å; Y478-H496 HydrophobicContact CE1-CB 4.02Å; Y478-H496 WeakPolarHBondContact CE1-O 3.46Å; Y478-P498 VanDerWaalsContact O-CD 3.28Å; Y478-P498 WeakPolarHBondContact O-CD 3.43Å; Y478-P498 WeakPolarHBondContact O-CG 3.22Å
479	P	94.2	Very high	86.4	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.6	21.8	10.2	36.7	-38.4	0	0	0	116.1	L181 G481 K482 T493	L181-P479 HydrophobicContact CD1-CB 3.72Å; L181-P479 HydrophobicContact CD1-CG 4.34Å; L181-P479 HydrophobicContact CD2-CB 4.27Å; L181-P479 HydrophobicContact CG-CB 4.29Å; P479-G481 VanDerWaalsContact C-N 3.34Å; P479-G481 PolarHBondContact O-N 3.25Å; P479-K482 HydrophobicContact CB-CB 4.36Å; P479-K482 WeakPolarHBondContact CG-O 3.41Å; P479-K482 VanDerWaalsContact O-CB 3.27Å; P479-K482 WeakPolarHBondContact O-CB 3.41Å; P479-K482 VanDerWaalsContact O-CG 3.32Å; P479-K482 WeakPolarHBondContact O-CG 3.32Å; P479-K482 PolarHBondContact O-N 2.83Å; P479-K482 VanDerWaalsContact O-N 3.11Å; P479-T493 HydrophobicContact CG-CG2 4.23Å
480	K	93.7	Very high	86.1	Confident	74 Å²	74	50.2 Å²	50.2	32%	0.322	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	43.7	176.9	-63.7	-170.9	178.8	176.4	0	113.5	D140 K475 L477 K482	D140-K480 WeakPolarHBondContact O-CE 3.49Å; D140-K480 PolarHBondContact O-NZ 2.91Å; K475-K480 CarbonylContact O-C 3.58Å; K475-K480 VanDerWaalsContact O-C 3.24Å; K475-K480 VanDerWaalsContact O-CA 3.24Å; K475-K480 WeakPolarHBondContact O-CA 3.44Å; L477-K480 WeakPolarHBondContact O-CA 3.45Å; L477-K480 PolarHBondContact O-N 2.79Å; K480-K482 PolarHBondContact O-N 2.85Å
481	G	90	Very high	86.6	Confident	42 Å²	42	48.6 Å²	48.6	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	1.2	-178.8	0	0	0	0	0	115.1	P479	P479-G481 VanDerWaalsContact C-N 3.34Å; P479-G481 PolarHBondContact O-N 3.25Å
482	K	93.4	Very high	87.1	Confident	19 Å²	19	40.6 Å²	40.6	8%	0.083	22%	0.219	C	C	.	.			trans	-71	145.5	170.7	-61.6	-178.3	-177.1	175	0	110.4	Y174 N179 L181 P479 K480	Y174-K482 HydrophobicContact CD2-CD 3.99Å; Y174-K482 HydrophobicContact CE2-CD 3.73Å; Y174-K482 PolarHBondContact O-NZ 2.92Å; N179-K482 WeakPolarHBondContact OD1-CE 3.45Å; N179-K482 WeakPolarHBondContact OD1-CG 3.31Å; L181-K482 HydrophobicContact CD2-CB 4.18Å; L181-K482 HydrophobicContact CD2-CD 4.14Å; L181-K482 HydrophobicContact CG-CB 4.18Å; P479-K482 HydrophobicContact CB-CB 4.36Å; P479-K482 WeakPolarHBondContact CG-O 3.41Å; P479-K482 VanDerWaalsContact O-CB 3.27Å; P479-K482 WeakPolarHBondContact O-CB 3.41Å; P479-K482 VanDerWaalsContact O-CG 3.32Å; P479-K482 WeakPolarHBondContact O-CG 3.32Å; P479-K482 PolarHBondContact O-N 2.83Å; P479-K482 VanDerWaalsContact O-N 3.11Å; K480-K482 PolarHBondContact O-N 2.85Å
483	L	92.4	Very high	87.5	Confident	47 Å²	47	38.9 Å²	38.9	25%	0.246	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.4	177.8	-54.2	-173	0	0	0	109.6	L181 F490 T493	L181-L483 PolarHBondContact N-O 3.05Å; L483-F490 HydrophobicContact CD1-CD1 4.2Å; L483-F490 HydrophobicContact CD1-CE1 3.5Å; L483-F490 HydrophobicContact CD1-CZ 4.27Å; L483-F490 HydrophobicContact CD2-CD1 3.55Å; L483-F490 HydrophobicContact CD2-CE1 3.42Å; L483-F490 VanDerWaalsContact CD2-CE1 3.42Å; L483-F490 HydrophobicContact CG-CD1 4.44Å; L483-F490 HydrophobicContact CG-CE1 4.08Å; L483-T493 HydrophobicContact CD2-CG2 4.22Å
484	Y	92.5	Very high	87.9	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.8	168.6	-162.4	-80.6	0	0	0	108.9	F173 L181 N486 E487 S492 T493 H496	F173-Y484 AromaticContact CE2-CE2 3.97Å; F173-Y484 HydrophobicContact CE2-CE2 3.97Å; F173-Y484 HydrophobicContact CZ-CE2 4.1Å; L181-Y484 HydrophobicContact CB-CD2 3.89Å; L181-Y484 HydrophobicContact CB-CG 4.41Å; Y484-N486 PolarHBondContact O-N 3.41Å; Y484-E487 VanDerWaalsContact O-CB 3.3Å; Y484-E487 WeakPolarHBondContact O-CB 3.31Å; Y484-E487 VanDerWaalsContact O-CG 3.25Å; Y484-E487 WeakPolarHBondContact O-CG 3.29Å; Y484-E487 PolarHBondContact O-N 3.04Å; Y484-S492 VanDerWaalsContact CD1-CB 3.49Å; Y484-T493 PolarHBondContact N-OG1 3.22Å; Y484-H496 AromaticContact CD2-CD2 3.7Å; Y484-H496 AromaticContact CD2-NE2 3.36Å; Y484-H496 WeakPolarHBondContact CD2-NE2 3.48Å; Y484-H496 AromaticContact CE2-NE2 3.42Å; Y484-H496 WeakPolarHBondContact CE2-NE2 3.47Å
485	N	91.3	Very high	88.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-18.5	178.6	-34.3	-66.8	0	0	0	116.9	M180 L181 Y251 K253 N272	M180-N485 HydrophobicContact CE-CB 3.86Å; M180-N485 WeakPolarHBondContact CE-OD1 3.12Å; L181-N485 PolarHBondContact O-N 3.3Å; L181-N485 VanDerWaalsContact O-N 3.1Å; Y251-N485 HydrophobicContact CD2-CB 3.51Å; Y251-N485 HydrophobicContact CE2-CB 3.25Å; Y251-N485 HydrophobicContact CG-CB 4.43Å; K253-N485 PolarHBondContact NZ-O 3.3Å; N272-N485 PolarHBondContact ND2-OD1 3.23Å
486	N	88.3	Confident	88.5	Confident	62 Å²	62	30.6 Å²	30.6	33%	0.332	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	44.7	-139.4	-63.9	-25.6	0	0	0	112.3	M180 Y484	M180-N486 HydrophobicContact SD-CB 4.47Å; M180-N486 PolarHBondContact SD-ND2 2.97Å; Y484-N486 PolarHBondContact O-N 3.41Å
487	E	86.5	Confident	88.7	Confident	4 Å²	4	27 Å²	27	2%	0.019	15%	0.146	C	C	.	.			trans	-66	144.9	-178.9	74.2	-172.2	155.4	0	0	112.1	Y251 Y484 F490 W491 S492 T493	Y251-E487 HydrophobicContact CD1-CB 3.32Å; Y251-E487 HydrophobicContact CE1-CB 3.45Å; Y251-E487 VanDerWaalsContact CE1-CB 3.45Å; Y251-E487 HydrophobicContact CG-CB 4.12Å; Y484-E487 VanDerWaalsContact O-CB 3.3Å; Y484-E487 WeakPolarHBondContact O-CB 3.31Å; Y484-E487 VanDerWaalsContact O-CG 3.25Å; Y484-E487 WeakPolarHBondContact O-CG 3.29Å; Y484-E487 PolarHBondContact O-N 3.04Å; E487-F490 VanDerWaalsContact OE1-CA 3.25Å; E487-F490 WeakPolarHBondContact OE1-CA 3.49Å; E487-W491 PolarHBondContact OE1-N 2.95Å; E487-W491 VanDerWaalsContact OE1-N 3.16Å; E487-W491 PolarHBondContact OE2-N 3.29Å; E487-S492 PolarHBondContact OE1-N 2.97Å; E487-S492 PolarHBondContact OE2-N 3.33Å; E487-T493 WeakPolarHBondContact OE1-CB 3.36Å; E487-T493 PolarHBondContact OE1-N 2.86Å; E487-T493 PolarHBondContact OE1-OG1 2.92Å
488	E	73.3	Confident	88.8	Confident	143 Å²	143	27 Å²	27	67%	0.668	15%	0.146	S	C	*	.	S	Bend	trans	-84.9	129.1	164	-65.2	-179.4	161.8	0	0	108.9	S252	S252-E488 PolarHBondContact OG-OE2 3Å
489	G	70.9	Confident	88.8	Confident	36 Å²	36	27 Å²	27	37%	0.371	15%	0.146	S	C	.	.	S	Bend	trans	98.8	-8.4	177.6	0	0	0	0	0	115.6	W491	G489-W491 VanDerWaalsContact C-N 3.27Å; G489-W491 PolarHBondContact O-N 3.1Å
490	F	73	Confident	88.9	Confident	46 Å²	46	27.1 Å²	27.1	20%	0.202	15%	0.147	C	C	.	.			trans	61.5	30	161.3	-47.1	-94	0	0	0	114.4	L470 L483 E487 R494	L470-F490 HydrophobicContact CB-CD2 4.41Å; L470-F490 HydrophobicContact CD1-CB 3.82Å; L470-F490 HydrophobicContact CD1-CD1 3.3Å; L470-F490 HydrophobicContact CD1-CD2 3.36Å; L470-F490 HydrophobicContact CD1-CE1 3.59Å; L470-F490 HydrophobicContact CD1-CE2 3.71Å; L470-F490 HydrophobicContact CD1-CG 3.19Å; L470-F490 HydrophobicContact CD1-CZ 3.8Å; L470-F490 HydrophobicContact CD2-CD2 3.3Å; L470-F490 HydrophobicContact CD2-CE1 4.35Å; L470-F490 HydrophobicContact CD2-CE2 3.07Å; L470-F490 HydrophobicContact CD2-CG 4.12Å; L470-F490 HydrophobicContact CD2-CZ 3.65Å; L470-F490 HydrophobicContact CG-CD1 4.5Å; L470-F490 HydrophobicContact CG-CD2 3.81Å; L470-F490 HydrophobicContact CG-CE2 3.95Å; L470-F490 HydrophobicContact CG-CG 4.15Å; L470-F490 HydrophobicContact CG-CZ 4.31Å; L483-F490 HydrophobicContact CD1-CD1 4.2Å; L483-F490 HydrophobicContact CD1-CE1 3.5Å; L483-F490 HydrophobicContact CD1-CZ 4.27Å; L483-F490 HydrophobicContact CD2-CD1 3.55Å; L483-F490 HydrophobicContact CD2-CE1 3.42Å; L483-F490 VanDerWaalsContact CD2-CE1 3.42Å; L483-F490 HydrophobicContact CG-CD1 4.44Å; L483-F490 HydrophobicContact CG-CE1 4.08Å; E487-F490 VanDerWaalsContact OE1-CA 3.25Å; E487-F490 WeakPolarHBondContact OE1-CA 3.49Å; F490-R494 WeakPolarHBondContact O-CB 3.35Å; F490-R494 WeakPolarHBondContact O-CG 3.29Å; F490-R494 PolarHBondContact O-N 3.41Å; F490-R494 PolarHBondContact O-NE 2.96Å
491	W	82.1	Confident	89	Confident	35 Å²	35	23.6 Å²	23.6	13%	0.133	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-54.5	-177	-84.6	75.7	0	0	0	111.7	F397 E398 G401 P437 E487 G489 R494	F397-W491 AromaticContact CD1-CH2 3.47Å; F397-W491 HydrophobicContact CD1-CH2 3.47Å; F397-W491 VanDerWaalsContact CD1-CH2 3.47Å; F397-W491 AromaticContact CD1-CZ3 3.53Å; F397-W491 HydrophobicContact CD1-CZ3 3.53Å; F397-W491 AromaticContact CE1-CH2 3.55Å; F397-W491 HydrophobicContact CE1-CH2 3.55Å; F397-W491 HydrophobicContact CE1-CZ2 4.36Å; F397-W491 HydrophobicContact CE1-CZ3 4.09Å; E398-W491 HydrophobicContact CB-CH2 4.35Å; E398-W491 HydrophobicContact CG-CH2 4.18Å; G401-W491 WeakPolarHBondContact O-CH2 3.5Å; G401-W491 VanDerWaalsContact O-CZ3 3.31Å; G401-W491 WeakPolarHBondContact O-CZ3 3.44Å; P437-W491 HydrophobicContact CG-CE3 4.29Å; E487-W491 PolarHBondContact OE1-N 2.95Å; E487-W491 VanDerWaalsContact OE1-N 3.16Å; E487-W491 PolarHBondContact OE2-N 3.29Å; G489-W491 VanDerWaalsContact C-N 3.27Å; G489-W491 PolarHBondContact O-N 3.1Å; W491-R494 PolarHBondContact O-N 3.22Å
492	S	89.9	Confident	89.2	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.5	177.8	-60.6	0	0	0	0	111.1	N435 Y484 E487 R494 S495 H496	N435-S492 PolarHBondContact ND2-OG 2.8Å; Y484-S492 VanDerWaalsContact CD1-CB 3.49Å; E487-S492 PolarHBondContact OE1-N 2.97Å; E487-S492 PolarHBondContact OE2-N 3.33Å; S492-R494 PolarHBondContact O-N 3.4Å; S492-S495 VanDerWaalsContact O-CB 3.24Å; S492-S495 WeakPolarHBondContact O-CB 3.4Å; S492-S495 PolarHBondContact O-N 2.89Å; S492-H496 PolarHBondContact O-CD2 3.17Å
493	T	91.4	Very high	89.2	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.012	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-57.5	-37	179.5	-54	0	0	0	0	111.9	P479 L483 Y484 E487 S495 H496	P479-T493 HydrophobicContact CG-CG2 4.23Å; L483-T493 HydrophobicContact CD2-CG2 4.22Å; Y484-T493 PolarHBondContact N-OG1 3.22Å; E487-T493 WeakPolarHBondContact OE1-CB 3.36Å; E487-T493 PolarHBondContact OE1-N 2.86Å; E487-T493 PolarHBondContact OE1-OG1 2.92Å; T493-S495 PolarHBondContact O-N 3.31Å; T493-H496 PolarHBondContact O-N 2.78Å; T493-H496 VanDerWaalsContact O-N 3.14Å
494	R	90.6	Very high	89.3	Confident	39 Å²	39	24.7 Å²	24.7	15%	0.147	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-71	-16.5	177.4	-73.9	178	-60.8	165.6	1.4	113.8	P437 N467 M468 I473 F490 W491 S492 H496	P437-R494 HydrophobicContact CB-CB 3.83Å; P437-R494 HydrophobicContact CG-CB 4.42Å; N467-R494 VanDerWaalsContact CG-NH1 3.28Å; N467-R494 PolarHBondContact ND2-NH1 3.25Å; N467-R494 VanDerWaalsContact OD1-CD 3.25Å; N467-R494 WeakPolarHBondContact OD1-CD 3.3Å; N467-R494 PolarHBondContact OD1-NE 2.72Å; N467-R494 PolarHBondContact OD1-NH1 3.17Å; M468-R494 WeakPolarHBondContact O-CD 3.42Å; M468-R494 PolarHBondContact O-NH1 2.67Å; I473-R494 HydrophobicContact CD1-CG 3.75Å; F490-R494 WeakPolarHBondContact O-CB 3.35Å; F490-R494 WeakPolarHBondContact O-CG 3.29Å; F490-R494 PolarHBondContact O-N 3.41Å; F490-R494 PolarHBondContact O-NE 2.96Å; W491-R494 PolarHBondContact O-N 3.22Å; S492-R494 PolarHBondContact O-N 3.4Å; R494-H496 PolarHBondContact O-N 2.61Å
495	S	92.3	Very high	89.4	Confident	3 Å²	3	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-77	-6.2	170.7	-63.9	0	0	0	0	113.7	T433 S434 N436 P437 Y458 Y459 S492 T493	T433-S495 WeakPolarHBondContact O-CB 3.32Å; T433-S495 PolarHBondContact O-OG 3Å; S434-S495 WeakPolarHBondContact O-CB 3.46Å; N436-S495 PolarHBondContact N-OG 2.99Å; N436-S495 PolarHBondContact O-OG 2.83Å; N436-S495 VanDerWaalsContact O-OG 3.08Å; P437-S495 WeakPolarHBondContact CA-OG 3.46Å; Y458-S495 VanDerWaalsContact CE1-O 3.3Å; Y458-S495 WeakPolarHBondContact CE1-O 3.3Å; Y458-S495 PolarHBondContact OH-O 2Å; Y459-S495 PolarHBondContact OH-O 2.83Å; S492-S495 VanDerWaalsContact O-CB 3.24Å; S492-S495 WeakPolarHBondContact O-CB 3.4Å; S492-S495 PolarHBondContact O-N 2.89Å; T493-S495 PolarHBondContact O-N 3.31Å
496	H	94.2	Very high	89.7	Confident	2 Å²	2	30 Å²	30	1%	0.009	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-115.2	24.4	-174.2	-66.6	-74.7	0	0	0	112.2	D130 F173 L181 S434 Y459 Y478 Y484 S492 T493 R494	D130-H496 IonicContact OD2-CE1 2.86Å; D130-H496 IonicContact OD2-CG 3.43Å; D130-H496 IonicContact OD2-ND1 2.71Å; D130-H496 PolarHBondContact OD2-ND1 2.91Å; F173-H496 AromaticContact CZ-CE1 3.94Å; L181-H496 HydrophobicContact CD1-CB 4.23Å; S434-H496 PolarHBondContact O-NE2 2.6Å; Y459-H496 VanDerWaalsContact OH-C 3.28Å; Y459-H496 WeakPolarHBondContact OH-CA 3.49Å; Y478-H496 WeakPolarHBondContact CD1-O 3.26Å; Y478-H496 HydrophobicContact CE1-CB 4.02Å; Y478-H496 WeakPolarHBondContact CE1-O 3.46Å; Y484-H496 AromaticContact CD2-CD2 3.7Å; Y484-H496 AromaticContact CD2-NE2 3.36Å; Y484-H496 WeakPolarHBondContact CD2-NE2 3.48Å; Y484-H496 AromaticContact CE2-NE2 3.42Å; Y484-H496 WeakPolarHBondContact CE2-NE2 3.47Å; S492-H496 PolarHBondContact O-CD2 3.17Å; T493-H496 PolarHBondContact O-N 2.78Å; T493-H496 VanDerWaalsContact O-N 3.14Å; R494-H496 PolarHBondContact O-N 2.61Å
497	L	94	Very high	90.1	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-81.7	150.2	-179.1	-61.2	179.2	0	0	0	112	Y459 M468 I473 Y520 Y524	Y459-L497 VanDerWaalsContact CE2-O 3.31Å; Y459-L497 WeakPolarHBondContact CE2-O 3.35Å; Y459-L497 PolarHBondContact OH-N 3.29Å; Y459-L497 PolarHBondContact OH-O 2.84Å; M468-L497 HydrophobicContact CB-CD1 3.94Å; M468-L497 HydrophobicContact SD-CD1 4.01Å; I473-L497 HydrophobicContact CD1-CD2 4.35Å; I473-L497 HydrophobicContact CG1-CD2 4.26Å; I473-L497 HydrophobicContact CG2-CD2 3.77Å; L497-Y520 HydrophobicContact CB-CE2 4.24Å; L497-Y520 HydrophobicContact CD1-CE2 4.46Å; L497-Y524 WeakPolarHBondContact CD1-OH 3.27Å
498	P	95.5	Very high	90.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-57.2	138.4	-175.1	-26.6	36.1	0	0	0	113.8	A133 L477 Y478 F508 F517 Y520	A133-P498 WeakPolarHBondContact O-CA 3.28Å; L477-P498 HydrophobicContact CB-CG 4.18Å; Y478-P498 VanDerWaalsContact O-CD 3.28Å; Y478-P498 WeakPolarHBondContact O-CD 3.43Å; Y478-P498 WeakPolarHBondContact O-CG 3.22Å; P498-F508 HydrophobicContact CB-CD2 4.1Å; P498-F508 HydrophobicContact CB-CE1 4.33Å; P498-F508 HydrophobicContact CB-CE2 3.87Å; P498-F508 HydrophobicContact CB-CG 4.44Å; P498-F508 HydrophobicContact CB-CZ 3.99Å; P498-F508 HydrophobicContact CG-CZ 4.34Å; P498-F517 HydrophobicContact CB-CE2 3.85Å; P498-F517 HydrophobicContact CB-CZ 4.4Å; P498-Y520 HydrophobicContact CB-CE1 4.22Å; P498-Y520 PolarHBondContact O-OH 3.45Å
499	M	95.9	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-59.4	123.7	178.8	-179.8	61.5	-170.8	0	0	111.1	A133 F134 Y154 Y459 E462 T463 W501 F517 V530	A133-M499 PolarHBondContact O-N 3.4Å; F134-M499 HydrophobicContact CD2-CB 4.17Å; F134-M499 HydrophobicContact CD2-CG 4.09Å; F134-M499 HydrophobicContact CE2-CG 4.09Å; F134-M499 HydrophobicContact CE2-SD 4.33Å; Y154-M499 HydrophobicContact CE1-CE 4.33Å; Y459-M499 HydrophobicContact CD2-CB 4.07Å; Y459-M499 HydrophobicContact CD2-CG 4.44Å; Y459-M499 HydrophobicContact CD2-SD 3.8Å; Y459-M499 HydrophobicContact CE2-CB 4.24Å; E462-M499 WeakPolarHBondContact OE1-CE 3.27Å; T463-M499 HydrophobicContact CG2-CE 4.2Å; M499-W501 VanDerWaalsContact C-N 3.3Å; M499-W501 HydrophobicContact CB-CZ2 4.42Å; M499-W501 HydrophobicContact CE-CE3 4.4Å; M499-W501 HydrophobicContact CE-CH2 4.4Å; M499-W501 HydrophobicContact CE-CZ3 4.25Å; M499-W501 HydrophobicContact CG-CD2 3.79Å; M499-W501 HydrophobicContact CG-CE3 4.37Å; M499-W501 HydrophobicContact CG-CG 4.18Å; M499-W501 HydrophobicContact CG-CH2 4.24Å; M499-W501 HydrophobicContact CG-CZ2 3.63Å; M499-W501 PolarHBondContact O-N 3.21Å; M499-F517 WeakPolarHBondContact O-CZ 3.49Å; M499-V530 HydrophobicContact CE-CG2 3.47Å; M499-V530 VanDerWaalsContact CE-CG2 3.47Å
500	P	94.8	Very high	93	Very high	4 Å²	4	26 Å²	26	3%	0.026	13%	0.133	C	C	.	.			trans	-76.7	74.1	-177	34.4	-41.6	0	0	0	111.6	T463 I465 L521 N529 V530	T463-P500 HydrophobicContact CG2-CG 4.26Å; I465-P500 HydrophobicContact CD1-CB 4.07Å; I465-P500 HydrophobicContact CD1-CG 3.84Å; P500-L521 HydrophobicContact CB-CD2 3.6Å; P500-N529 HydrophobicContact CB-CB 4.24Å; P500-N529 CarbonylContact O-C 3.59Å; P500-N529 WeakPolarHBondContact O-CA 3.39Å; P500-N529 WeakPolarHBondContact O-CB 3.25Å; P500-V530 PolarHBondContact O-N 2.87Å
501	W	96.4	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.			trans	-70.7	-49.2	-178.5	-67.7	111	0	0	0	113.6	F134 E151 Y154 M499 R507 V530 E531	F134-W501 HydrophobicContact CD1-CZ2 4.09Å; F134-W501 HydrophobicContact CD2-CZ2 4Å; F134-W501 AromaticContact CE1-CH2 3.99Å; F134-W501 HydrophobicContact CE1-CH2 3.99Å; F134-W501 AromaticContact CE1-CZ2 3.72Å; F134-W501 HydrophobicContact CE1-CZ2 3.72Å; F134-W501 AromaticContact CE2-CH2 3.81Å; F134-W501 HydrophobicContact CE2-CH2 3.81Å; F134-W501 AromaticContact CE2-CZ2 3.57Å; F134-W501 HydrophobicContact CE2-CZ2 3.57Å; F134-W501 HydrophobicContact CG-CZ2 4.24Å; F134-W501 AromaticContact CZ-CH2 3.43Å; F134-W501 HydrophobicContact CZ-CH2 3.43Å; F134-W501 VanDerWaalsContact CZ-CH2 3.43Å; F134-W501 AromaticContact CZ-CZ2 3.44Å; F134-W501 HydrophobicContact CZ-CZ2 3.44Å; F134-W501 VanDerWaalsContact CZ-CZ2 3.44Å; F134-W501 PolarHBondContact O-NE1 3.43Å; E151-W501 HydrophobicContact CB-CH2 4.27Å; E151-W501 HydrophobicContact CB-CZ2 4.48Å; E151-W501 HydrophobicContact CG-CH2 4.02Å; E151-W501 HydrophobicContact CG-CZ2 3.96Å; Y154-W501 AromaticContact CD1-CH2 3.57Å; Y154-W501 HydrophobicContact CD1-CH2 3.57Å; Y154-W501 AromaticContact CD1-CZ3 3.71Å; Y154-W501 HydrophobicContact CD1-CZ3 3.71Å; Y154-W501 AromaticContact CD2-CZ3 3.87Å; Y154-W501 HydrophobicContact CD2-CZ3 3.87Å; Y154-W501 AromaticContact CE1-CH2 3.78Å; Y154-W501 HydrophobicContact CE1-CH2 3.78Å; Y154-W501 AromaticContact CE1-CZ3 3.78Å; Y154-W501 HydrophobicContact CE1-CZ3 3.78Å; Y154-W501 AromaticContact CE2-CZ3 3.93Å; Y154-W501 HydrophobicContact CE2-CZ3 3.93Å; Y154-W501 AromaticContact CG-CH2 3.98Å; Y154-W501 HydrophobicContact CG-CH2 3.98Å; Y154-W501 AromaticContact CG-CZ3 3.75Å; Y154-W501 HydrophobicContact CG-CZ3 3.75Å; Y154-W501 AromaticContact CZ-CZ3 3.89Å; M499-W501 VanDerWaalsContact C-N 3.3Å; M499-W501 HydrophobicContact CB-CZ2 4.42Å; M499-W501 HydrophobicContact CE-CE3 4.4Å; M499-W501 HydrophobicContact CE-CH2 4.4Å; M499-W501 HydrophobicContact CE-CZ3 4.25Å; M499-W501 HydrophobicContact CG-CD2 3.79Å; M499-W501 HydrophobicContact CG-CE3 4.37Å; M499-W501 HydrophobicContact CG-CG 4.18Å; M499-W501 HydrophobicContact CG-CH2 4.24Å; M499-W501 HydrophobicContact CG-CZ2 3.63Å; M499-W501 PolarHBondContact O-N 3.21Å; W501-R507 HydrophobicContact CB-CB 3.66Å; W501-R507 HydrophobicContact CB-CG 3.77Å; W501-R507 HydrophobicContact CD2-CG 4.14Å; W501-R507 HydrophobicContact CG-CB 4.13Å; W501-R507 HydrophobicContact CG-CG 3.8Å; W501-V530 HydrophobicContact CE3-CB 4.12Å; W501-V530 HydrophobicContact CE3-CG1 4.23Å; W501-V530 HydrophobicContact CE3-CG2 3.88Å; W501-V530 HydrophobicContact CZ3-CG1 4.46Å; W501-V530 HydrophobicContact CZ3-CG2 4.23Å; W501-V530 PolarHBondContact O-N 3.49Å; W501-E531 PolarHBondContact O-N 3.41Å
502	D	95.1	Very high	94.7	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.048	14%	0.139	C	C	.	.			trans	-155.6	165.3	-176.3	71	77	0	0	0	110	S504 G505 K506 R507 F517 E531	D502-S504 PolarHBondContact O-N 3.44Å; D502-S504 VanDerWaalsContact OD1-CA 3.27Å; D502-S504 WeakPolarHBondContact OD1-CA 3.36Å; D502-S504 WeakPolarHBondContact OD1-CB 3.23Å; D502-S504 PolarHBondContact OD1-N 3.14Å; D502-S504 PolarHBondContact OD1-OG 3.14Å; D502-G505 PolarHBondContact O-N 3.43Å; D502-G505 PolarHBondContact OD1-N 3.13Å; D502-K506 PolarHBondContact OD1-N 3.24Å; D502-K506 PolarHBondContact OD2-N 3.15Å; D502-R507 WeakPolarHBondContact OD2-CA 3.3Å; D502-R507 WeakPolarHBondContact OD2-CB 3.48Å; D502-R507 PolarHBondContact OD2-N 2.92Å; D502-F517 WeakPolarHBondContact O-CD1 3.23Å; D502-F517 VanDerWaalsContact O-CE1 3.3Å; D502-F517 WeakPolarHBondContact O-CE1 3.45Å; D502-E531 HydrophobicContact CB-CB 4.21Å; D502-E531 WeakPolarHBondContact CB-OE1 3.4Å
503	F	92.8	Very high	94.9	Very high	68 Å²	68	31.9 Å²	31.9	30%	0.298	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.9	-177.4	-89.8	-57.7	0	0	0	114.8	G505 N518 L521 K527 N529 I532	F503-G505 VanDerWaalsContact C-N 3.3Å; F503-N518 WeakPolarHBondContact O-CB 3.04Å; F503-L521 HydrophobicContact CD1-CB 4.31Å; F503-L521 HydrophobicContact CD1-CD1 3.69Å; F503-L521 HydrophobicContact CE1-CB 4.22Å; F503-L521 HydrophobicContact CE1-CD1 4.12Å; F503-L521 HydrophobicContact CG-CD1 4.46Å; F503-K527 HydrophobicContact CE1-CB 4.12Å; F503-K527 HydrophobicContact CZ-CB 3.85Å; F503-N529 VanDerWaalsContact CD2-ND2 3.34Å; F503-N529 WeakPolarHBondContact CD2-ND2 3.39Å; F503-I532 HydrophobicContact CD2-CD1 3.58Å; F503-I532 HydrophobicContact CE2-CD1 3.12Å; F503-I532 HydrophobicContact CZ-CD1 4.06Å
504	S	94.1	Very high	94.9	Very high	54 Å²	54	36.5 Å²	36.5	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.4	179.7	73.5	0	0	0	0	112.9	D502 K506	D502-S504 PolarHBondContact O-N 3.44Å; D502-S504 VanDerWaalsContact OD1-CA 3.27Å; D502-S504 WeakPolarHBondContact OD1-CA 3.36Å; D502-S504 WeakPolarHBondContact OD1-CB 3.23Å; D502-S504 PolarHBondContact OD1-N 3.14Å; D502-S504 PolarHBondContact OD1-OG 3.14Å; S504-K506 PolarHBondContact O-N 3.11Å; S504-K506 WeakPolarHBondContact OG-CB 3.27Å; S504-K506 WeakPolarHBondContact OG-CG 3.31Å; S504-K506 PolarHBondContact OG-N 3.31Å
505	G	95.4	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.			trans	73.4	1.1	-172.3	0	0	0	0	0	114.2	D502 F503 R507 F508 S509 L512	D502-G505 PolarHBondContact O-N 3.43Å; D502-G505 PolarHBondContact OD1-N 3.13Å; F503-G505 VanDerWaalsContact C-N 3.3Å; G505-R507 VanDerWaalsContact C-N 3.27Å; G505-R507 PolarHBondContact O-N 2.87Å; G505-F508 WeakPolarHBondContact O-CA 3.06Å; G505-F508 WeakPolarHBondContact O-CB 3.35Å; G505-F508 PolarHBondContact O-N 2.71Å; G505-S509 PolarHBondContact O-N 3.29Å; G505-L512 WeakPolarHBondContact O-CD1 2.93Å
506	K	96.9	Very high	94.9	Very high	114 Å²	114	38.5 Å²	38.5	50%	0.496	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.7	-174.1	-74	-177.4	176.4	-176.1	0	113.7	D502 S504 S509 A510 L512	D502-K506 PolarHBondContact OD1-N 3.24Å; D502-K506 PolarHBondContact OD2-N 3.15Å; S504-K506 PolarHBondContact O-N 3.11Å; S504-K506 WeakPolarHBondContact OG-CB 3.27Å; S504-K506 WeakPolarHBondContact OG-CG 3.31Å; S504-K506 PolarHBondContact OG-N 3.31Å; K506-S509 WeakPolarHBondContact CA-O 3.13Å; K506-S509 CarbonylContact O-C 3.57Å; K506-A510 PolarHBondContact O-N 3.02Å; K506-L512 WeakPolarHBondContact CE-O 3.1Å; K506-L512 WeakPolarHBondContact CG-O 3.03Å
507	R	97	Very high	94.8	Very high	79 Å²	79	38.4 Å²	38.4	30%	0.298	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.6	171.7	-175.5	168.1	175	-166.9	0.8	112.5	K135 E151 W501 D502 G505	K135-R507 VanDerWaalsContact CE-O 3.26Å; K135-R507 WeakPolarHBondContact CE-O 3.46Å; K135-R507 WeakPolarHBondContact CG-O 3.42Å; E151-R507 IonicContact OE1-CZ 2.93Å; E151-R507 IonicContact OE1-NE 2.96Å; E151-R507 PolarHBondContact OE1-NE 2.86Å; E151-R507 IonicContact OE1-NH2 2.74Å; E151-R507 IonicContact OE2-CZ 3.43Å; E151-R507 IonicContact OE2-NE 3.88Å; E151-R507 IonicContact OE2-NH2 2.71Å; E151-R507 PolarHBondContact OE2-NH2 2.93Å; W501-R507 HydrophobicContact CB-CB 3.66Å; W501-R507 HydrophobicContact CB-CG 3.77Å; W501-R507 HydrophobicContact CD2-CG 4.14Å; W501-R507 HydrophobicContact CG-CB 4.13Å; W501-R507 HydrophobicContact CG-CG 3.8Å; D502-R507 WeakPolarHBondContact OD2-CA 3.3Å; D502-R507 WeakPolarHBondContact OD2-CB 3.48Å; D502-R507 PolarHBondContact OD2-N 2.92Å; G505-R507 VanDerWaalsContact C-N 3.27Å; G505-R507 PolarHBondContact O-N 2.87Å
508	F	97.4	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-53.2	168.3	174	-105	0	0	0	110.4	A133 D136 L477 P498 G505 L512 F517	A133-F508 WeakPolarHBondContact O-CE2 3.43Å; D136-F508 WeakPolarHBondContact CB-O 3.27Å; D136-F508 PolarHBondContact N-O 3.36Å; L477-F508 HydrophobicContact CD2-CE1 4.46Å; P498-F508 HydrophobicContact CB-CD2 4.1Å; P498-F508 HydrophobicContact CB-CE1 4.33Å; P498-F508 HydrophobicContact CB-CE2 3.87Å; P498-F508 HydrophobicContact CB-CG 4.44Å; P498-F508 HydrophobicContact CB-CZ 3.99Å; P498-F508 HydrophobicContact CG-CZ 4.34Å; G505-F508 WeakPolarHBondContact O-CA 3.06Å; G505-F508 WeakPolarHBondContact O-CB 3.35Å; G505-F508 PolarHBondContact O-N 2.71Å; F508-L512 HydrophobicContact CD1-CD1 3.91Å; F508-F517 HydrophobicContact CB-CD2 4.46Å; F508-F517 HydrophobicContact CB-CE2 3.72Å; F508-F517 HydrophobicContact CB-CZ 3.98Å; F508-F517 HydrophobicContact CD1-CD2 4.27Å; F508-F517 AromaticContact CD1-CE2 3.85Å; F508-F517 HydrophobicContact CD1-CE2 3.85Å; F508-F517 AromaticContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CZ 4.39Å
509	S	97.8	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-145.5	127.3	175.2	-178.3	0	0	0	0	111	D136 G505 K506 T511 L512	D136-S509 VanDerWaalsContact OD2-CB 3.24Å; D136-S509 WeakPolarHBondContact OD2-CB 3.35Å; D136-S509 PolarHBondContact OD2-OG 2.9Å; G505-S509 PolarHBondContact O-N 3.29Å; K506-S509 WeakPolarHBondContact CA-O 3.13Å; K506-S509 CarbonylContact O-C 3.57Å; S509-T511 PolarHBondContact O-N 3.38Å; S509-T511 VanDerWaalsContact O-N 3.1Å; S509-T511 PolarHBondContact OG-OG1 3.1Å; S509-L512 PolarHBondContact O-N 3.08Å
510	A	96.9	Very high	94.1	Very high	82 Å²	82	45 Å²	45	68%	0.678	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.4	-179.1	0	0	0	0	0	113.8	K506	K506-A510 PolarHBondContact O-N 3.02Å
511	T	96.2	Very high	93.9	Very high	69 Å²	69	44.9 Å²	44.9	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.5	179.5	58.8	0	0	0	0	113.4	G139 S509 N513	G139-T511 VanDerWaalsContact CA-CG2 3.43Å; G139-T511 WeakPolarHBondContact O-CG2 3.45Å; G139-T511 PolarHBondContact O-OG1 3.42Å; S509-T511 PolarHBondContact O-N 3.38Å; S509-T511 VanDerWaalsContact O-N 3.1Å; S509-T511 PolarHBondContact OG-OG1 3.1Å; T511-N513 PolarHBondContact O-N 3.03Å; T511-N513 PolarHBondContact O-ND2 3.19Å
512	L	95.2	Very high	93.5	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	27%	0.265	C	S	.	.			trans	-69.5	113.3	176.2	-74.5	167	0	0	0	111.2	L141 L477 G505 K506 F508 S509 F517	L141-L512 HydrophobicContact CD1-CD2 4.46Å; L141-L512 HydrophobicContact CD2-CD1 4.16Å; L141-L512 HydrophobicContact CD2-CD2 3.71Å; L141-L512 HydrophobicContact CD2-CG 3.63Å; L477-L512 HydrophobicContact CD2-CD1 4.2Å; L477-L512 HydrophobicContact CD2-CD2 3.99Å; G505-L512 WeakPolarHBondContact O-CD1 2.93Å; K506-L512 WeakPolarHBondContact CE-O 3.1Å; K506-L512 WeakPolarHBondContact CG-O 3.03Å; F508-L512 HydrophobicContact CD1-CD1 3.91Å; S509-L512 PolarHBondContact O-N 3.08Å; L512-F517 HydrophobicContact CD1-CB 4.13Å; L512-F517 HydrophobicContact CD1-CD2 3.78Å; L512-F517 HydrophobicContact CD1-CG 4.24Å
513	N	92.1	Very high	93	Very high	129 Å²	129	48.8 Å²	48.8	69%	0.69	28%	0.277	S	S	*	.			trans	-131.3	6.2	-175.6	-68	-39.7	0	0	0	113.3	T511	T511-N513 PolarHBondContact O-N 3.03Å; T511-N513 PolarHBondContact O-ND2 3.19Å
514	D	91.8	Very high	92.7	Very high	98 Å²	98	46.3 Å²	46.3	52%	0.524	27%	0.266	S	S	.	.	S	Bend	trans	-120.8	-173.8	179.2	64.6	28.3	0	0	0	111.4	T516	D514-T516 VanDerWaalsContact C-N 3.25Å; D514-T516 VanDerWaalsContact CG-OG1 3.25Å; D514-T516 PolarHBondContact O-N 3.42Å; D514-T516 WeakPolarHBondContact OD1-CB 3.36Å; D514-T516 PolarHBondContact OD1-N 2.93Å; D514-T516 PolarHBondContact OD1-OG1 2.61Å; D514-T516 PolarHBondContact OD2-OG1 3.45Å
515	S	91.7	Very high	92	Very high	67 Å²	67	51.4 Å²	51.4	47%	0.469	28%	0.284	S	S	.	.	S	Bend	trans	-77.8	-3.6	-179.4	63.6	0	0	0	0	114.1	F517 N518 D519	S515-F517 VanDerWaalsContact C-N 3.31Å; S515-F517 PolarHBondContact O-N 3.09Å; S515-F517 VanDerWaalsContact O-N 3.16Å; S515-N518 CarbonylContact O-C 3.57Å; S515-N518 WeakPolarHBondContact O-CA 3.26Å; S515-N518 WeakPolarHBondContact O-CB 3.45Å; S515-N518 PolarHBondContact O-N 3.04Å; S515-D519 WeakPolarHBondContact CB-OD2 3.47Å; S515-D519 PolarHBondContact O-N 2.74Å; S515-D519 PolarHBondContact OG-OD2 2.67Å
516	T	91.2	Very high	91.1	Very high	18 Å²	18	55 Å²	55	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-52.6	-46.7	-168.7	-62.1	0	0	0	0	112.6	N476 L477 D514 D519 Y520	N476-T516 VanDerWaalsContact CG-CG2 3.48Å; N476-T516 WeakPolarHBondContact ND2-CG2 3.46Å; N476-T516 PolarHBondContact ND2-OG1 2.87Å; N476-T516 VanDerWaalsContact ND2-OG1 3.17Å; N476-T516 VanDerWaalsContact OD1-CG2 3.24Å; N476-T516 WeakPolarHBondContact OD1-CG2 3.27Å; L477-T516 HydrophobicContact CD1-CG2 3.73Å; L477-T516 HydrophobicContact CD2-CG2 4.27Å; L477-T516 HydrophobicContact CG-CG2 3.67Å; D514-T516 VanDerWaalsContact C-N 3.25Å; D514-T516 VanDerWaalsContact CG-OG1 3.25Å; D514-T516 PolarHBondContact O-N 3.42Å; D514-T516 WeakPolarHBondContact OD1-CB 3.36Å; D514-T516 PolarHBondContact OD1-N 2.93Å; D514-T516 PolarHBondContact OD1-OG1 2.61Å; D514-T516 PolarHBondContact OD2-OG1 3.45Å; T516-D519 PolarHBondContact O-N 3.16Å; T516-Y520 WeakPolarHBondContact O-CB 3.3Å; T516-Y520 PolarHBondContact O-N 2.94Å
517	F	92.9	Very high	90.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-72.8	-35.9	-178.1	-158.4	-89.4	0	0	0	112.5	L477 P498 M499 D502 F508 L512 S515 Y520 L521	L477-F517 HydrophobicContact CD1-CD2 3.88Å; L477-F517 HydrophobicContact CD2-CD2 4.27Å; P498-F517 HydrophobicContact CB-CE2 3.85Å; P498-F517 HydrophobicContact CB-CZ 4.4Å; M499-F517 WeakPolarHBondContact O-CZ 3.49Å; D502-F517 WeakPolarHBondContact O-CD1 3.23Å; D502-F517 VanDerWaalsContact O-CE1 3.3Å; D502-F517 WeakPolarHBondContact O-CE1 3.45Å; F508-F517 HydrophobicContact CB-CD2 4.46Å; F508-F517 HydrophobicContact CB-CE2 3.72Å; F508-F517 HydrophobicContact CB-CZ 3.98Å; F508-F517 HydrophobicContact CD1-CD2 4.27Å; F508-F517 AromaticContact CD1-CE2 3.85Å; F508-F517 HydrophobicContact CD1-CE2 3.85Å; F508-F517 AromaticContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CZ 4.39Å; L512-F517 HydrophobicContact CD1-CB 4.13Å; L512-F517 HydrophobicContact CD1-CD2 3.78Å; L512-F517 HydrophobicContact CD1-CG 4.24Å; S515-F517 VanDerWaalsContact C-N 3.31Å; S515-F517 PolarHBondContact O-N 3.09Å; S515-F517 VanDerWaalsContact O-N 3.16Å; F517-Y520 HydrophobicContact CD1-CD1 4.34Å; F517-Y520 HydrophobicContact CD2-CD1 4.19Å; F517-Y520 HydrophobicContact CE1-CD1 4.22Å; F517-Y520 HydrophobicContact CE1-CE1 4.36Å; F517-Y520 HydrophobicContact CE2-CD1 4.06Å; F517-Y520 HydrophobicContact CE2-CE1 4.17Å; F517-Y520 HydrophobicContact CG-CD1 4.33Å; F517-Y520 HydrophobicContact CZ-CD1 4.07Å; F517-Y520 AromaticContact CZ-CE1 3.96Å; F517-Y520 HydrophobicContact CZ-CE1 3.96Å; F517-Y520 WeakPolarHBondContact O-CB 3.4Å; F517-Y520 PolarHBondContact O-N 3.15Å; F517-L521 HydrophobicContact CD1-CD1 3.96Å; F517-L521 HydrophobicContact CD1-CG 4.11Å; F517-L521 HydrophobicContact CE1-CD1 3.84Å; F517-L521 HydrophobicContact CE1-CD2 4.26Å; F517-L521 HydrophobicContact CE1-CG 4.01Å; F517-L521 WeakPolarHBondContact O-CG 2.94Å; F517-L521 PolarHBondContact O-N 2.85Å
518	N	91.3	Very high	89.6	Confident	57 Å²	57	54 Å²	54	31%	0.305	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-41.7	173	-179.8	52.4	0	0	0	111.1	F503 S515 Y520 L521 N522	F503-N518 WeakPolarHBondContact O-CB 3.04Å; S515-N518 CarbonylContact O-C 3.57Å; S515-N518 WeakPolarHBondContact O-CA 3.26Å; S515-N518 WeakPolarHBondContact O-CB 3.45Å; S515-N518 PolarHBondContact O-N 3.04Å; N518-Y520 VanDerWaalsContact C-N 3.35Å; N518-L521 PolarHBondContact O-N 2.94Å; N518-N522 PolarHBondContact ND2-ND2 2.85Å; N518-N522 WeakPolarHBondContact O-CB 3.36Å; N518-N522 PolarHBondContact O-N 3.35Å; N518-N522 PolarHBondContact O-ND2 3.47Å
519	D	89	Confident	89.4	Confident	85 Å²	85	54 Å²	54	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177.2	-63.2	-24.9	0	0	0	111.2	S515 T516 N522 G523	S515-D519 WeakPolarHBondContact CB-OD2 3.47Å; S515-D519 PolarHBondContact O-N 2.74Å; S515-D519 PolarHBondContact OG-OD2 2.67Å; T516-D519 PolarHBondContact O-N 3.16Å; D519-N522 PolarHBondContact O-N 3.42Å; D519-G523 PolarHBondContact O-N 2.83Å
520	Y	90.8	Very high	89.3	Confident	4 Å²	4	54 Å²	54	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-55.2	-52.7	168.1	157.9	-115.8	0	0	0	111.8	M468 P474 L477 L497 P498 T516 F517 N518 N522 G523 Y524	M468-Y520 HydrophobicContact CE-CD2 3.63Å; M468-Y520 HydrophobicContact CE-CE2 3.65Å; M468-Y520 WeakPolarHBondContact CE-O 3.34Å; M468-Y520 HydrophobicContact SD-CD2 4.15Å; M468-Y520 HydrophobicContact SD-CE2 4.11Å; P474-Y520 HydrophobicContact CG-CD2 3.9Å; P474-Y520 HydrophobicContact CG-CG 4.21Å; L477-Y520 HydrophobicContact CD1-CD1 4.39Å; L477-Y520 HydrophobicContact CD1-CG 4.19Å; L497-Y520 HydrophobicContact CB-CE2 4.24Å; L497-Y520 HydrophobicContact CD1-CE2 4.46Å; P498-Y520 HydrophobicContact CB-CE1 4.22Å; P498-Y520 PolarHBondContact O-OH 3.45Å; T516-Y520 WeakPolarHBondContact O-CB 3.3Å; T516-Y520 PolarHBondContact O-N 2.94Å; F517-Y520 HydrophobicContact CD1-CD1 4.34Å; F517-Y520 HydrophobicContact CD2-CD1 4.19Å; F517-Y520 HydrophobicContact CE1-CD1 4.22Å; F517-Y520 HydrophobicContact CE1-CE1 4.36Å; F517-Y520 HydrophobicContact CE2-CD1 4.06Å; F517-Y520 HydrophobicContact CE2-CE1 4.17Å; F517-Y520 HydrophobicContact CG-CD1 4.33Å; F517-Y520 HydrophobicContact CZ-CD1 4.07Å; F517-Y520 AromaticContact CZ-CE1 3.96Å; F517-Y520 HydrophobicContact CZ-CE1 3.96Å; F517-Y520 WeakPolarHBondContact O-CB 3.4Å; F517-Y520 PolarHBondContact O-N 3.15Å; N518-Y520 VanDerWaalsContact C-N 3.35Å; Y520-N522 VanDerWaalsContact C-N 3.26Å; Y520-N522 PolarHBondContact O-N 2.63Å; Y520-G523 PolarHBondContact O-N 2.83Å; Y520-Y524 HydrophobicContact CD2-CE2 4.27Å; Y520-Y524 HydrophobicContact CE1-CE2 4.37Å; Y520-Y524 AromaticContact CE2-CE2 3.59Å; Y520-Y524 HydrophobicContact CE2-CE2 3.59Å; Y520-Y524 AromaticContact CE2-CZ 3.92Å; Y520-Y524 WeakPolarHBondContact CE2-OH 3.26Å; Y520-Y524 AromaticContact CZ-CE2 3.65Å; Y520-Y524 PolarHBondContact OH-OH 3.44Å
521	L	90.7	Very high	89.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-29.8	179.6	-67.5	-179.1	0	0	0	112.9	P500 F503 F517 N518 G523 Y524	P500-L521 HydrophobicContact CB-CD2 3.6Å; F503-L521 HydrophobicContact CD1-CB 4.31Å; F503-L521 HydrophobicContact CD1-CD1 3.69Å; F503-L521 HydrophobicContact CE1-CB 4.22Å; F503-L521 HydrophobicContact CE1-CD1 4.12Å; F503-L521 HydrophobicContact CG-CD1 4.46Å; F517-L521 HydrophobicContact CD1-CD1 3.96Å; F517-L521 HydrophobicContact CD1-CG 4.11Å; F517-L521 HydrophobicContact CE1-CD1 3.84Å; F517-L521 HydrophobicContact CE1-CD2 4.26Å; F517-L521 HydrophobicContact CE1-CG 4.01Å; F517-L521 WeakPolarHBondContact O-CG 2.94Å; F517-L521 PolarHBondContact O-N 2.85Å; N518-L521 PolarHBondContact O-N 2.94Å; L521-G523 PolarHBondContact O-N 3.44Å; L521-Y524 HydrophobicContact CD2-CD2 4.48Å; L521-Y524 HydrophobicContact CD2-CE2 4.39Å; L521-Y524 PolarHBondContact O-N 3.12Å
522	N	87.6	Confident	89.1	Confident	62 Å²	62	55.6 Å²	55.6	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-14.7	174.3	-73.2	-42.1	0	0	0	113.3	N518 D519 Y520 Y524 K527	N518-N522 PolarHBondContact ND2-ND2 2.85Å; N518-N522 WeakPolarHBondContact O-CB 3.36Å; N518-N522 PolarHBondContact O-N 3.35Å; N518-N522 PolarHBondContact O-ND2 3.47Å; D519-N522 PolarHBondContact O-N 3.42Å; Y520-N522 VanDerWaalsContact C-N 3.26Å; Y520-N522 PolarHBondContact O-N 2.63Å; N522-Y524 VanDerWaalsContact C-N 3.27Å; N522-K527 WeakPolarHBondContact OD1-CD 3.47Å; N522-K527 WeakPolarHBondContact OD1-CE 3.46Å; N522-K527 PolarHBondContact OD1-NZ 2.96Å
523	G	84.9	Confident	89	Confident	29 Å²	29	55.2 Å²	55.2	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.8	173.3	0	0	0	0	0	114.3	D519 Y520 L521	D519-G523 PolarHBondContact O-N 2.83Å; Y520-G523 PolarHBondContact O-N 2.83Å; L521-G523 PolarHBondContact O-N 3.44Å
524	Y	85.6	Confident	89.1	Confident	15 Å²	15	51.8 Å²	51.8	6%	0.059	27%	0.271	C	S	.	.	S	Bend	trans	-89.3	144.2	172.3	-63.4	-80.3	0	0	0	111.2	I465 N466 M468 L497 Y520 L521 N522 N526	I465-Y524 HydrophobicContact CD1-CD1 4.03Å; I465-Y524 HydrophobicContact CD1-CD2 3.73Å; I465-Y524 HydrophobicContact CD1-CE1 3.72Å; I465-Y524 HydrophobicContact CD1-CE2 3.4Å; I465-Y524 VanDerWaalsContact CD1-CE2 3.4Å; I465-Y524 HydrophobicContact CD1-CG 4.02Å; I465-Y524 HydrophobicContact CG1-CD1 3.55Å; I465-Y524 HydrophobicContact CG1-CD2 4.09Å; I465-Y524 HydrophobicContact CG1-CE1 3.51Å; I465-Y524 HydrophobicContact CG1-CE2 4.06Å; I465-Y524 HydrophobicContact CG1-CG 3.83Å; N466-Y524 WeakPolarHBondContact O-CD1 3.17Å; N466-Y524 WeakPolarHBondContact O-CE1 3.02Å; M468-Y524 HydrophobicContact CB-CD1 4.14Å; M468-Y524 HydrophobicContact CB-CE1 3.63Å; M468-Y524 HydrophobicContact CE-CD1 4.19Å; M468-Y524 HydrophobicContact CE-CD2 3.48Å; M468-Y524 VanDerWaalsContact CE-CD2 3.48Å; M468-Y524 HydrophobicContact CE-CE1 3.93Å; M468-Y524 HydrophobicContact CE-CE2 3.16Å; M468-Y524 HydrophobicContact CE-CG 4Å; M468-Y524 VanDerWaalsContact CE-CZ 3.43Å; L497-Y524 WeakPolarHBondContact CD1-OH 3.27Å; Y520-Y524 HydrophobicContact CD2-CE2 4.27Å; Y520-Y524 HydrophobicContact CE1-CE2 4.37Å; Y520-Y524 AromaticContact CE2-CE2 3.59Å; Y520-Y524 HydrophobicContact CE2-CE2 3.59Å; Y520-Y524 AromaticContact CE2-CZ 3.92Å; Y520-Y524 WeakPolarHBondContact CE2-OH 3.26Å; Y520-Y524 AromaticContact CZ-CE2 3.65Å; Y520-Y524 PolarHBondContact OH-OH 3.44Å; L521-Y524 HydrophobicContact CD2-CD2 4.48Å; L521-Y524 HydrophobicContact CD2-CE2 4.39Å; L521-Y524 PolarHBondContact O-N 3.12Å; N522-Y524 VanDerWaalsContact C-N 3.27Å; Y524-N526 VanDerWaalsContact C-N 3.3Å; Y524-N526 PolarHBondContact O-N 3.48Å
525	E	78.9	Confident	89.2	Confident	161 Å²	161	49.8 Å²	49.8	75%	0.752	27%	0.265	S	S	*	.	S	Bend	trans	-59.2	-42.5	174.6	-173	-179.5	-172.3	0	0	111.7
526	N	76.7	Confident	89	Confident	77 Å²	77	56.1 Å²	56.1	41%	0.412	29%	0.287	S	S	.	.	S	Bend	trans	-109.4	115.6	175.6	-66.2	-41.6	0	0	0	110	Y524 E528	Y524-N526 VanDerWaalsContact C-N 3.3Å; Y524-N526 PolarHBondContact O-N 3.48Å; N526-E528 VanDerWaalsContact C-N 3.27Å; N526-E528 HydrophobicContact CB-CG 4.26Å; N526-E528 PolarHBondContact O-N 2.92Å
527	K	80.6	Confident	88.7	Confident	109 Å²	109	58.7 Å²	58.7	47%	0.474	32%	0.317	S	S	.	.			trans	-82.4	70	-175.8	-54.7	-178	-172.7	-168.5	0	111.3	F503 N522	F503-K527 HydrophobicContact CE1-CB 4.12Å; F503-K527 HydrophobicContact CZ-CB 3.85Å; N522-K527 WeakPolarHBondContact OD1-CD 3.47Å; N522-K527 WeakPolarHBondContact OD1-CE 3.46Å; N522-K527 PolarHBondContact OD1-NZ 2.96Å
528	E	82.6	Confident	88.4	Confident	62 Å²	62	60.8 Å²	60.8	29%	0.29	33%	0.328	S	S	.	.			trans	-101.4	138.1	-176.1	-69.1	-62.5	163.4	0	0	111.1	N526 Q533	N526-E528 VanDerWaalsContact C-N 3.27Å; N526-E528 HydrophobicContact CB-CG 4.26Å; N526-E528 PolarHBondContact O-N 2.92Å; E528-Q533 VanDerWaalsContact OE2-CG 3.28Å; E528-Q533 WeakPolarHBondContact OE2-CG 3.43Å; E528-Q533 PolarHBondContact OE2-NE2 3.38Å
529	N	93	Very high	88.1	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	34%	0.337	C	S	.	.			trans	-145.4	165.5	173.9	63.9	51.8	0	0	0	110.8	P500 F503 E531 I532 Q533	P500-N529 HydrophobicContact CB-CB 4.24Å; P500-N529 CarbonylContact O-C 3.59Å; P500-N529 WeakPolarHBondContact O-CA 3.39Å; P500-N529 WeakPolarHBondContact O-CB 3.25Å; F503-N529 VanDerWaalsContact CD2-ND2 3.34Å; F503-N529 WeakPolarHBondContact CD2-ND2 3.39Å; N529-E531 PolarHBondContact O-N 3Å; N529-E531 PolarHBondContact OD1-N 3Å; N529-I532 WeakPolarHBondContact ND2-CD1 3.34Å; N529-I532 WeakPolarHBondContact OD1-CB 3.49Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.22Å; N529-I532 PolarHBondContact OD1-N 2.85Å; N529-Q533 WeakPolarHBondContact O-CB 3.35Å; N529-Q533 WeakPolarHBondContact O-CG 3.38Å; N529-Q533 PolarHBondContact O-N 3.47Å; N529-Q533 VanDerWaalsContact O-N 3.14Å
530	V	96.3	Very high	87.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-43.1	-175.3	174.4	0	0	0	0	112	Y154 T463 M499 P500 W501 Q533 L534 L543	Y154-V530 HydrophobicContact CD2-CG1 4.23Å; Y154-V530 HydrophobicContact CE2-CG1 3.58Å; Y154-V530 HydrophobicContact CE2-CG2 4.17Å; T463-V530 HydrophobicContact CG2-CG2 3.82Å; M499-V530 HydrophobicContact CE-CG2 3.47Å; M499-V530 VanDerWaalsContact CE-CG2 3.47Å; P500-V530 PolarHBondContact O-N 2.87Å; W501-V530 HydrophobicContact CE3-CB 4.12Å; W501-V530 HydrophobicContact CE3-CG1 4.23Å; W501-V530 HydrophobicContact CE3-CG2 3.88Å; W501-V530 HydrophobicContact CZ3-CG1 4.46Å; W501-V530 HydrophobicContact CZ3-CG2 4.23Å; W501-V530 PolarHBondContact O-N 3.49Å; V530-Q533 PolarHBondContact O-N 3.25Å; V530-L534 HydrophobicContact CG1-CD1 3.66Å; V530-L534 HydrophobicContact CG1-CG 4.27Å; V530-L534 WeakPolarHBondContact O-CB 3.39Å; V530-L534 WeakPolarHBondContact O-CG 3.4Å; V530-L534 PolarHBondContact O-N 3.47Å; V530-L543 HydrophobicContact CG1-CD2 4.25Å
531	E	95.2	Very high	87.9	Confident	127 Å²	127	60.8 Å²	60.8	59%	0.593	33%	0.33	S	S	*	.	H	α-helix	trans	-58.7	-50.7	-178.4	-174.4	179.9	-62.6	0	0	112.1	W501 D502 N529 Q533 L534 S535	W501-E531 PolarHBondContact O-N 3.41Å; D502-E531 HydrophobicContact CB-CB 4.21Å; D502-E531 WeakPolarHBondContact CB-OE1 3.4Å; N529-E531 PolarHBondContact O-N 3Å; N529-E531 PolarHBondContact OD1-N 3Å; E531-Q533 VanDerWaalsContact C-N 3.34Å; E531-Q533 PolarHBondContact O-N 2.98Å; E531-L534 PolarHBondContact O-N 2.8Å; E531-S535 PolarHBondContact O-N 2.55Å; E531-S535 VanDerWaalsContact O-N 3.11Å
532	I	93.2	Very high	88	Confident	57 Å²	57	61.8 Å²	61.8	29%	0.292	34%	0.336	S	S	.	.	H	α-helix	trans	-67.1	-37.9	-179.1	-69.9	172.6	0	0	0	111.5	F503 N529 L534 S535 N538	F503-I532 HydrophobicContact CD2-CD1 3.58Å; F503-I532 HydrophobicContact CE2-CD1 3.12Å; F503-I532 HydrophobicContact CZ-CD1 4.06Å; N529-I532 WeakPolarHBondContact ND2-CD1 3.34Å; N529-I532 WeakPolarHBondContact OD1-CB 3.49Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.22Å; N529-I532 PolarHBondContact OD1-N 2.85Å; I532-L534 VanDerWaalsContact C-N 3.26Å; I532-L534 PolarHBondContact O-N 3.32Å; I532-S535 WeakPolarHBondContact O-CB 3.49Å; I532-S535 PolarHBondContact O-N 3.06Å; I532-S535 PolarHBondContact O-OG 3.48Å; I532-N538 PolarHBondContact O-ND2 3.47Å
533	Q	93.7	Very high	88.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-73.3	-21.2	-179.7	-72.2	-167.9	59.1	0	0	113.6	T463 E528 N529 V530 E531 S541 L543 H544	T463-Q533 VanDerWaalsContact C-NE2 3.34Å; T463-Q533 VanDerWaalsContact CB-NE2 3.25Å; T463-Q533 PolarHBondContact O-NE2 3.38Å; E528-Q533 VanDerWaalsContact OE2-CG 3.28Å; E528-Q533 WeakPolarHBondContact OE2-CG 3.43Å; E528-Q533 PolarHBondContact OE2-NE2 3.38Å; N529-Q533 WeakPolarHBondContact O-CB 3.35Å; N529-Q533 WeakPolarHBondContact O-CG 3.38Å; N529-Q533 PolarHBondContact O-N 3.47Å; N529-Q533 VanDerWaalsContact O-N 3.14Å; V530-Q533 PolarHBondContact O-N 3.25Å; E531-Q533 VanDerWaalsContact C-N 3.34Å; E531-Q533 PolarHBondContact O-N 2.98Å; Q533-S541 PolarHBondContact O-OG 2.81Å; Q533-L543 HydrophobicContact CB-CB 3.88Å; Q533-L543 HydrophobicContact CB-CD2 4.15Å; Q533-H544 PolarHBondContact O-CE1 2.94Å; Q533-H544 PolarHBondContact O-ND1 2.72Å
534	L	94	Very high	88.7	Confident	57 Å²	57	59 Å²	59	30%	0.298	31%	0.313	S	S	.	.	H	α-helix	trans	-93.8	-3.8	173.2	-67.1	179.8	0	0	0	113.4	V158 V530 E531 I532 L543 K547	V158-L534 HydrophobicContact CG1-CD1 4.16Å; V158-L534 HydrophobicContact CG1-CD2 3.93Å; V158-L534 HydrophobicContact CG2-CD1 4.48Å; V530-L534 HydrophobicContact CG1-CD1 3.66Å; V530-L534 HydrophobicContact CG1-CG 4.27Å; V530-L534 WeakPolarHBondContact O-CB 3.39Å; V530-L534 WeakPolarHBondContact O-CG 3.4Å; V530-L534 PolarHBondContact O-N 3.47Å; E531-L534 PolarHBondContact O-N 2.8Å; I532-L534 VanDerWaalsContact C-N 3.26Å; I532-L534 PolarHBondContact O-N 3.32Å; L534-L543 HydrophobicContact CD1-CD2 4.19Å; L534-L543 HydrophobicContact CD2-CD2 3.53Å; L534-L543 HydrophobicContact CD2-CG 4.1Å; L534-L543 HydrophobicContact CG-CD2 3.59Å; L534-K547 HydrophobicContact CD2-CD 4.42Å
535	S	93	Very high	89	Confident	55 Å²	55	58.4 Å²	58.4	39%	0.385	31%	0.311	S	S	.	.	S	Bend	trans	-62.1	146	-179.3	79.8	0	0	0	0	111.5	E531 I532 G537 N538	E531-S535 PolarHBondContact O-N 2.55Å; E531-S535 VanDerWaalsContact O-N 3.11Å; I532-S535 WeakPolarHBondContact O-CB 3.49Å; I532-S535 PolarHBondContact O-N 3.06Å; I532-S535 PolarHBondContact O-OG 3.48Å; S535-G537 PolarHBondContact O-N 3.44Å; S535-N538 PolarHBondContact O-N 2.82Å; S535-N538 VanDerWaalsContact O-N 3.13Å
536	E	87.7	Confident	89.8	Confident	201 Å²	201	50.8 Å²	50.8	94%	0.939	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.3	174.5	-65.3	-175.2	172.5	0	0	110.4
537	G	84.6	Confident	90.6	Very high	72 Å²	72	50.6 Å²	50.6	74%	0.742	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-19.9	-177.1	0	0	0	0	0	115.7	S535 V539	S535-G537 PolarHBondContact O-N 3.44Å; G537-V539 PolarHBondContact O-N 2.75Å
538	N	87	Confident	91.3	Very high	44 Å²	44	50 Å²	50	24%	0.235	27%	0.268	C	S	.	.			trans	-84.4	51.8	180	-163.1	-1.3	0	0	0	113.2	I532 S535 Q540 S541 H544	I532-N538 PolarHBondContact O-ND2 3.47Å; S535-N538 PolarHBondContact O-N 2.82Å; S535-N538 VanDerWaalsContact O-N 3.13Å; N538-Q540 PolarHBondContact O-N 3.44Å; N538-S541 PolarHBondContact O-N 3.42Å; N538-S541 PolarHBondContact O-OG 2.79Å; N538-H544 PolarHBondContact O-ND1 3.49Å
539	V	84.6	Confident	92	Very high	79 Å²	79	47.1 Å²	47.1	48%	0.479	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.4	-173.3	-62	0	0	0	0	114.7	G537	G537-V539 PolarHBondContact O-N 2.75Å
540	Q	85.8	Confident	92.2	Very high	60 Å²	60	47.4 Å²	47.4	28%	0.28	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.4	177.2	-59.2	-57.1	-46.9	0	0	113.2	N538 Y618 S620	N538-Q540 PolarHBondContact O-N 3.44Å; Q540-Y618 VanDerWaalsContact O-CE2 3.3Å; Q540-Y618 WeakPolarHBondContact O-CE2 3.39Å; Q540-Y618 PolarHBondContact O-OH 3.42Å; Q540-Y618 VanDerWaalsContact O-OH 3.05Å; Q540-S620 PolarHBondContact NE2-OG 2.83Å
541	S	90.8	Very high	92.1	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.049	28%	0.281	C	S	.	.	S	Bend	trans	-63.1	154.6	178.2	67.7	0	0	0	0	112	Q533 N538 L543 H544 L545	Q533-S541 PolarHBondContact O-OG 2.81Å; N538-S541 PolarHBondContact O-N 3.42Å; N538-S541 PolarHBondContact O-OG 2.79Å; S541-L543 PolarHBondContact O-N 2.59Å; S541-H544 PolarHBondContact O-N 3.07Å; S541-H544 VanDerWaalsContact O-N 3.11Å; S541-H544 PolarHBondContact OG-N 3.43Å; S541-H544 PolarHBondContact OG-ND1 2.96Å; S541-L545 PolarHBondContact O-N 2.84Å
542	T	92.1	Very high	92.2	Very high	22 Å²	22	44.8 Å²	44.8	14%	0.135	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-39.9	175.9	-52.7	0	0	0	0	111.1	I442 L445 E462 H544 L545 V546	I442-T542 HydrophobicContact CD1-CG2 4.41Å; L445-T542 HydrophobicContact CD2-CG2 3.74Å; E462-T542 CarbonylContact O-C 3.38Å; T542-H544 PolarHBondContact O-N 2.86Å; T542-L545 WeakPolarHBondContact O-CA 3.28Å; T542-L545 WeakPolarHBondContact O-CB 3.47Å; T542-L545 PolarHBondContact O-N 2.99Å; T542-L545 VanDerWaalsContact O-N 3.14Å; T542-V546 WeakPolarHBondContact O-CG2 3.26Å; T542-V546 PolarHBondContact O-N 3.3Å
543	L	94.2	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-38.6	177.8	-171.9	56.2	0	0	0	112.6	V158 E462 V530 Q533 L534 S541 V546 K547	V158-L543 HydrophobicContact CG1-CD1 4.06Å; V158-L543 HydrophobicContact CG1-CD2 4.09Å; V158-L543 HydrophobicContact CG1-CG 4.21Å; E462-L543 HydrophobicContact CB-CD1 3.96Å; E462-L543 HydrophobicContact CG-CD1 3.7Å; E462-L543 VanDerWaalsContact O-CA 3.26Å; E462-L543 WeakPolarHBondContact O-CA 3.47Å; E462-L543 PolarHBondContact O-N 2.84Å; E462-L543 VanDerWaalsContact O-N 3.14Å; V530-L543 HydrophobicContact CG1-CD2 4.25Å; Q533-L543 HydrophobicContact CB-CB 3.88Å; Q533-L543 HydrophobicContact CB-CD2 4.15Å; L534-L543 HydrophobicContact CD1-CD2 4.19Å; L534-L543 HydrophobicContact CD2-CD2 3.53Å; L534-L543 HydrophobicContact CD2-CG 4.1Å; L534-L543 HydrophobicContact CG-CD2 3.59Å; S541-L543 PolarHBondContact O-N 2.59Å; L543-V546 PolarHBondContact O-N 2.98Å; L543-K547 WeakPolarHBondContact O-CB 3.33Å; L543-K547 VanDerWaalsContact O-CG 3.3Å; L543-K547 WeakPolarHBondContact O-CG 3.33Å; L543-K547 PolarHBondContact O-N 3.42Å
544	H	92.3	Very high	92.3	Very high	34 Å²	34	46.5 Å²	46.5	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-35.9	172.8	-80.4	104.6	0	0	0	112.5	Q533 N538 S541 T542 K548	Q533-H544 PolarHBondContact O-CE1 2.94Å; Q533-H544 PolarHBondContact O-ND1 2.72Å; N538-H544 PolarHBondContact O-ND1 3.49Å; S541-H544 PolarHBondContact O-N 3.07Å; S541-H544 VanDerWaalsContact O-N 3.11Å; S541-H544 PolarHBondContact OG-N 3.43Å; S541-H544 PolarHBondContact OG-ND1 2.96Å; T542-H544 PolarHBondContact O-N 2.86Å; H544-K548 WeakPolarHBondContact O-CB 3.23Å; H544-K548 WeakPolarHBondContact O-CG 3.22Å; H544-K548 PolarHBondContact O-N 2.8Å; H544-K548 VanDerWaalsContact O-N 3.07Å
545	L	92.7	Very high	92.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-50.3	170.7	168.2	147.2	0	0	0	110.6	I442 S541 T542 K547 K548 L549 F616 Y618 I646	I442-L545 HydrophobicContact CD1-CD1 3.92Å; I442-L545 HydrophobicContact CG1-CD1 3.77Å; I442-L545 HydrophobicContact CG1-CD2 4.37Å; S541-L545 PolarHBondContact O-N 2.84Å; T542-L545 WeakPolarHBondContact O-CA 3.28Å; T542-L545 WeakPolarHBondContact O-CB 3.47Å; T542-L545 PolarHBondContact O-N 2.99Å; T542-L545 VanDerWaalsContact O-N 3.14Å; L545-K547 PolarHBondContact O-N 3.05Å; L545-K548 PolarHBondContact O-N 3.11Å; L545-L549 HydrophobicContact CD2-CD1 3.53Å; L545-L549 HydrophobicContact CD2-CG 4.38Å; L545-L549 HydrophobicContact CG-CD1 3.88Å; L545-L549 HydrophobicContact CG-CG 4.34Å; L545-L549 WeakPolarHBondContact O-CG 3.14Å; L545-L549 PolarHBondContact O-N 3.16Å; L545-F616 HydrophobicContact CB-CZ 4.49Å; L545-F616 HydrophobicContact CD1-CZ 3.95Å; L545-F616 HydrophobicContact CG-CZ 3.88Å; L545-Y618 HydrophobicContact CB-CD2 4.18Å; L545-Y618 HydrophobicContact CB-CE2 4.1Å; L545-Y618 HydrophobicContact CD1-CD1 3.63Å; L545-Y618 HydrophobicContact CD1-CD2 3.67Å; L545-Y618 HydrophobicContact CD1-CE1 3.87Å; L545-Y618 HydrophobicContact CD1-CE2 3.88Å; L545-Y618 HydrophobicContact CD1-CG 3.53Å; L545-Y618 HydrophobicContact CG-CD2 4.47Å; L545-I646 HydrophobicContact CD1-CD1 3.89Å
546	V	95.2	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-49.1	179.3	169.4	0	0	0	0	110.4	L445 I457 E462 T542 L543 K548 L549 V550	L445-V546 HydrophobicContact CD2-CG2 3.82Å; L445-V546 HydrophobicContact CG-CG2 4.35Å; I457-V546 HydrophobicContact CD1-CG1 3.56Å; E462-V546 HydrophobicContact CB-CB 4.49Å; E462-V546 HydrophobicContact CB-CG1 4.26Å; E462-V546 HydrophobicContact CB-CG2 4.2Å; T542-V546 WeakPolarHBondContact O-CG2 3.26Å; T542-V546 PolarHBondContact O-N 3.3Å; L543-V546 PolarHBondContact O-N 2.98Å; V546-K548 VanDerWaalsContact C-N 3.32Å; V546-K548 PolarHBondContact O-N 3.43Å; V546-L549 PolarHBondContact O-N 2.87Å; V546-L549 VanDerWaalsContact O-N 3.17Å; V546-V550 HydrophobicContact CG1-CG2 4.06Å; V546-V550 WeakPolarHBondContact O-CB 3.32Å; V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.29Å; V546-V550 PolarHBondContact O-N 3.01Å
547	K	95.1	Very high	92.8	Very high	73 Å²	73	38.5 Å²	38.5	32%	0.317	22%	0.216	S	C	.	.	H	α-helix	trans	-51.2	-49.1	175.8	-79	170.6	78.1	176.5	0	112.7	V158 L534 L543 L545 A551	V158-K547 HydrophobicContact CG1-CD 4.18Å; V158-K547 WeakPolarHBondContact O-CG 3.34Å; L534-K547 HydrophobicContact CD2-CD 4.42Å; L543-K547 WeakPolarHBondContact O-CB 3.33Å; L543-K547 VanDerWaalsContact O-CG 3.3Å; L543-K547 WeakPolarHBondContact O-CG 3.33Å; L543-K547 PolarHBondContact O-N 3.42Å; L545-K547 PolarHBondContact O-N 3.05Å; K547-A551 WeakPolarHBondContact O-CB 3.34Å; K547-A551 PolarHBondContact O-N 3.4Å; K547-A551 VanDerWaalsContact O-N 3.08Å
548	K	94.3	Very high	93.4	Very high	96 Å²	96	35.1 Å²	35.1	42%	0.417	18%	0.181	S	C	.	.	H	α-helix	trans	-66.7	-42.1	-179.6	-75.1	175.6	179.7	175.9	0	111.9	H544 L545 V546 A551 L552 F616	H544-K548 WeakPolarHBondContact O-CB 3.23Å; H544-K548 WeakPolarHBondContact O-CG 3.22Å; H544-K548 PolarHBondContact O-N 2.8Å; H544-K548 VanDerWaalsContact O-N 3.07Å; L545-K548 PolarHBondContact O-N 3.11Å; V546-K548 VanDerWaalsContact C-N 3.32Å; V546-K548 PolarHBondContact O-N 3.43Å; K548-A551 PolarHBondContact O-N 3.21Å; K548-L552 WeakPolarHBondContact O-CB 3.37Å; K548-L552 PolarHBondContact O-N 2.85Å; K548-F616 HydrophobicContact CB-CD2 3.91Å; K548-F616 HydrophobicContact CB-CE2 3.64Å; K548-F616 HydrophobicContact CD-CD2 4.38Å; K548-F616 HydrophobicContact CD-CE2 4.04Å
549	L	96.5	Very high	93.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-38.8	178.8	-70.2	-178.9	0	0	0	112.4	A446 L449 L450 L545 V546 A551 L552 R553 F616	A446-L549 HydrophobicContact CB-CD1 3.67Å; L449-L549 HydrophobicContact CB-CB 4.08Å; L449-L549 HydrophobicContact CB-CD1 4.37Å; L449-L549 HydrophobicContact CD1-CB 3.75Å; L449-L549 HydrophobicContact CD1-CD1 4.01Å; L450-L549 HydrophobicContact CD1-CD2 4.22Å; L450-L549 HydrophobicContact CD2-CD2 3.82Å; L450-L549 HydrophobicContact CG-CD2 4.11Å; L545-L549 HydrophobicContact CD2-CD1 3.53Å; L545-L549 HydrophobicContact CD2-CG 4.38Å; L545-L549 HydrophobicContact CG-CD1 3.88Å; L545-L549 HydrophobicContact CG-CG 4.34Å; L545-L549 WeakPolarHBondContact O-CG 3.14Å; L545-L549 PolarHBondContact O-N 3.16Å; V546-L549 PolarHBondContact O-N 2.87Å; V546-L549 VanDerWaalsContact O-N 3.17Å; L549-A551 VanDerWaalsContact C-N 3.33Å; L549-L552 HydrophobicContact CD2-CD2 4.28Å; L549-L552 PolarHBondContact O-N 3.21Å; L549-R553 WeakPolarHBondContact O-CB 3.48Å; L549-R553 PolarHBondContact O-N 3.1Å; L549-F616 HydrophobicContact CD2-CD1 4.01Å; L549-F616 HydrophobicContact CD2-CD2 4.05Å; L549-F616 HydrophobicContact CD2-CE1 3.89Å; L549-F616 HydrophobicContact CD2-CE2 3.95Å; L549-F616 HydrophobicContact CD2-CG 4.08Å; L549-F616 HydrophobicContact CD2-CZ 3.87Å; L549-F616 HydrophobicContact CG-CE1 4.46Å; L549-F616 HydrophobicContact CG-CE2 4.07Å; L549-F616 HydrophobicContact CG-CZ 4Å
550	V	97.1	Very high	94.1	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-39.5	174.4	173.7	0	0	0	0	111.1	V125 L449 I457 V546 R553	V125-V550 HydrophobicContact CG2-CG1 3.92Å; V125-V550 HydrophobicContact CG2-CG2 4.16Å; L449-V550 HydrophobicContact CD1-CG2 4.42Å; L449-V550 HydrophobicContact CD2-CG2 3.9Å; I457-V550 HydrophobicContact CD1-CG2 4.3Å; V546-V550 HydrophobicContact CG1-CG2 4.06Å; V546-V550 WeakPolarHBondContact O-CB 3.32Å; V546-V550 VanDerWaalsContact O-CG2 3.23Å; V546-V550 WeakPolarHBondContact O-CG2 3.29Å; V546-V550 PolarHBondContact O-N 3.01Å; V550-R553 PolarHBondContact O-N 2.85Å
551	A	95.7	Very high	94.5	Very high	61 Å²	61	31 Å²	31	50%	0.504	15%	0.153	S	C	.	.	H	α-helix	trans	-65.4	-46.3	172.6	0	0	0	0	0	111.9	K547 K548 L549 R553 Q554	K547-A551 WeakPolarHBondContact O-CB 3.34Å; K547-A551 PolarHBondContact O-N 3.4Å; K547-A551 VanDerWaalsContact O-N 3.08Å; K548-A551 PolarHBondContact O-N 3.21Å; L549-A551 VanDerWaalsContact C-N 3.33Å; A551-R553 PolarHBondContact O-N 3.07Å; A551-Q554 VanDerWaalsContact O-CB 3.27Å; A551-Q554 WeakPolarHBondContact O-CB 3.14Å; A551-Q554 WeakPolarHBondContact O-CG 3.45Å; A551-Q554 PolarHBondContact O-N 3.25Å
552	L	95.8	Very high	94.6	Very high	11 Å²	11	33 Å²	33	6%	0.058	17%	0.17	C	C	.	.	H	α-helix	trans	-58.5	-36	176.6	-179.2	64.9	0	0	0	112	L450 K548 L549 Q554 H555 M558 F589 R615 F616 V648	L450-L552 HydrophobicContact CD2-CD2 3.97Å; K548-L552 WeakPolarHBondContact O-CB 3.37Å; K548-L552 PolarHBondContact O-N 2.85Å; L549-L552 HydrophobicContact CD2-CD2 4.28Å; L549-L552 PolarHBondContact O-N 3.21Å; L552-Q554 PolarHBondContact O-N 2.74Å; L552-Q554 VanDerWaalsContact O-N 3.11Å; L552-H555 WeakPolarHBondContact O-CB 3.44Å; L552-H555 PolarHBondContact O-CD2 3.04Å; L552-H555 VanDerWaalsContact O-CD2 3.29Å; L552-H555 PolarHBondContact O-N 3.34Å; L552-H555 VanDerWaalsContact O-N 3.15Å; L552-M558 HydrophobicContact CD2-CE 4.3Å; L552-M558 HydrophobicContact CG-CE 4.44Å; L552-M558 HydrophobicContact CG-CG 4.39Å; L552-F589 HydrophobicContact CD1-CD1 4.39Å; L552-F589 HydrophobicContact CD1-CE1 3.99Å; L552-R615 HydrophobicContact CD1-CB 4.06Å; L552-F616 HydrophobicContact CD2-CB 4.11Å; L552-V648 HydrophobicContact CD2-CB 4.1Å; L552-V648 HydrophobicContact CD2-CG1 4Å; L552-V648 HydrophobicContact CD2-CG2 3.99Å
553	R	95.7	Very high	94.7	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.03	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.4	176.4	-163.9	174	-178.6	85.5	2.7	113.5	L449 L451 G453 P455 L549 V550 A551 H555 K559	L449-R553 PolarHBondContact O-NH1 2.96Å; L451-R553 PolarHBondContact O-NH1 2.87Å; G453-R553 PolarHBondContact O-NH2 3.22Å; P455-R553 VanDerWaalsContact CG-NE 3.3Å; L549-R553 WeakPolarHBondContact O-CB 3.48Å; L549-R553 PolarHBondContact O-N 3.1Å; V550-R553 PolarHBondContact O-N 2.85Å; A551-R553 PolarHBondContact O-N 3.07Å; R553-H555 PolarHBondContact O-N 3.28Å; R553-K559 WeakPolarHBondContact O-CB 3.26Å
554	Q	94.1	Very high	94.7	Very high	85 Å²	85	37.8 Å²	37.8	40%	0.397	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.2	175.9	-61.4	-55.3	-40.3	0	0	113.5	A551 L552 K559	A551-Q554 VanDerWaalsContact O-CB 3.27Å; A551-Q554 WeakPolarHBondContact O-CB 3.14Å; A551-Q554 WeakPolarHBondContact O-CG 3.45Å; A551-Q554 PolarHBondContact O-N 3.25Å; L552-Q554 PolarHBondContact O-N 2.74Å; L552-Q554 VanDerWaalsContact O-N 3.11Å; Q554-K559 PolarHBondContact O-NZ 2.84Å; Q554-K559 VanDerWaalsContact OE1-CE 3.31Å
555	H	95.3	Very high	94.7	Very high	74 Å²	74	41.5 Å²	41.5	34%	0.343	20%	0.204	S	C	.	.	S	Bend	trans	-64	139	172.8	-73.2	-95.8	0	0	0	111.5	L552 R553 S557 M558 K559 F589	L552-H555 WeakPolarHBondContact O-CB 3.44Å; L552-H555 PolarHBondContact O-CD2 3.04Å; L552-H555 VanDerWaalsContact O-CD2 3.29Å; L552-H555 PolarHBondContact O-N 3.34Å; L552-H555 VanDerWaalsContact O-N 3.15Å; R553-H555 PolarHBondContact O-N 3.28Å; H555-S557 PolarHBondContact O-N 3.34Å; H555-M558 HydrophobicContact CB-CB 4.37Å; H555-M558 HydrophobicContact CB-CG 4.23Å; H555-M558 PolarHBondContact O-N 3.44Å; H555-K559 WeakPolarHBondContact O-CB 3.37Å; H555-K559 PolarHBondContact O-N 3Å; H555-F589 HydrophobicContact CB-CE2 4.04Å; H555-F589 HydrophobicContact CB-CZ 3.77Å; H555-F589 AromaticContact CG-CZ 3.68Å; H555-F589 AromaticContact ND1-CZ 3.64Å
556	H	94.8	Very high	94.6	Very high	70 Å²	70	42.2 Å²	42.2	32%	0.324	21%	0.207	S	C	.	.	H	α-helix	trans	-53.9	-47	-173.3	-63.7	157.4	0	0	0	114.1	M558 K559 W560 F586	H556-M558 VanDerWaalsContact C-N 3.32Å; H556-M558 PolarHBondContact O-N 3.39Å; H556-K559 PolarHBondContact O-N 3.35Å; H556-W560 HydrophobicContact CB-CH2 3.48Å; H556-W560 VanDerWaalsContact CB-CH2 3.48Å; H556-W560 HydrophobicContact CB-CZ2 3.4Å; H556-W560 VanDerWaalsContact CB-CZ2 3.4Å; H556-W560 HydrophobicContact CB-CZ3 4.14Å; H556-W560 AromaticContact CD2-CH2 3.01Å; H556-W560 WeakPolarHBondContact CD2-CH2 3.3Å; H556-W560 AromaticContact CD2-CZ2 3.86Å; H556-W560 AromaticContact CD2-CZ3 3.54Å; H556-W560 AromaticContact CG-CH2 3.28Å; H556-W560 AromaticContact CG-CZ2 3.63Å; H556-W560 AromaticContact NE2-CH2 3.77Å; H556-W560 PolarHBondContact O-N 2.95Å; H556-W560 VanDerWaalsContact O-N 3.08Å; H556-F586 HydrophobicContact CB-CB 4.13Å; H556-F586 HydrophobicContact CB-CD1 3.95Å; H556-F586 HydrophobicContact CB-CD2 3.83Å; H556-F586 HydrophobicContact CB-CE1 4.34Å; H556-F586 HydrophobicContact CB-CE2 4.21Å; H556-F586 HydrophobicContact CB-CG 3.67Å; H556-F586 HydrophobicContact CB-CZ 4.43Å; H556-F586 AromaticContact CE1-CE1 3.56Å; H556-F586 AromaticContact CG-CD1 3.89Å; H556-F586 AromaticContact CG-CE1 3.9Å; H556-F586 AromaticContact ND1-CD1 3.07Å; H556-F586 WeakPolarHBondContact ND1-CD1 3.49Å; H556-F586 AromaticContact ND1-CE1 2.89Å; H556-F586 WeakPolarHBondContact ND1-CE1 3.47Å; H556-F586 AromaticContact ND1-CG 3.75Å; H556-F586 AromaticContact ND1-CZ 3.4Å; H556-F586 WeakPolarHBondContact ND1-CZ 3.48Å
557	S	95.7	Very high	94.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-31.9	177.2	-62.8	0	0	0	0	113.2	H555 G561 R581 A583 S587	H555-S557 PolarHBondContact O-N 3.34Å; S557-G561 WeakPolarHBondContact O-CA 3.34Å; S557-G561 PolarHBondContact O-N 3.14Å; S557-R581 PolarHBondContact O-NH2 2.81Å; S557-A583 PolarHBondContact OG-N 3.25Å; S557-S587 VanDerWaalsContact CB-O 3.24Å; S557-S587 WeakPolarHBondContact CB-O 3.49Å; S557-S587 PolarHBondContact OG-O 2.94Å
558	M	95.8	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77.2	-33.5	176	-63.2	-58.4	-71.5	0	0	112	L450 L552 H555 H556 R581 F589 V591	L450-M558 HydrophobicContact CB-CE 4.37Å; L450-M558 HydrophobicContact CD2-CE 3.37Å; L450-M558 HydrophobicContact CG-CE 4.47Å; L552-M558 HydrophobicContact CD2-CE 4.3Å; L552-M558 HydrophobicContact CG-CE 4.44Å; L552-M558 HydrophobicContact CG-CG 4.39Å; H555-M558 HydrophobicContact CB-CB 4.37Å; H555-M558 HydrophobicContact CB-CG 4.23Å; H555-M558 PolarHBondContact O-N 3.44Å; H556-M558 VanDerWaalsContact C-N 3.32Å; H556-M558 PolarHBondContact O-N 3.39Å; M558-R581 HydrophobicContact CE-CG 4.48Å; M558-R581 VanDerWaalsContact O-CZ 3.3Å; M558-R581 PolarHBondContact O-NH1 3.19Å; M558-R581 PolarHBondContact O-NH2 3.32Å; M558-R581 HydrophobicContact SD-CB 3.84Å; M558-R581 HydrophobicContact SD-CG 3.79Å; M558-F589 HydrophobicContact CG-CD1 4.3Å; M558-F589 HydrophobicContact CG-CD2 4.1Å; M558-F589 HydrophobicContact CG-CE2 4.38Å; M558-F589 HydrophobicContact CG-CG 4.09Å; M558-F589 HydrophobicContact SD-CB 3.74Å; M558-F589 HydrophobicContact SD-CD1 4.29Å; M558-F589 HydrophobicContact SD-CD2 4.23Å; M558-F589 HydrophobicContact SD-CG 3.83Å; M558-V591 HydrophobicContact CE-CG2 4.28Å
559	K	94.6	Very high	92.6	Very high	37 Å²	37	42.2 Å²	42.2	16%	0.161	23%	0.232	C	C	.	.	H	α-helix	trans	-73.5	-46.7	-177.5	-168.3	173.2	-73.9	171.5	0	113	L118 R553 Q554 H555 H556	L118-K559 HydrophobicContact CD1-CD 4.35Å; L118-K559 HydrophobicContact CD1-CG 4.29Å; R553-K559 WeakPolarHBondContact O-CB 3.26Å; Q554-K559 PolarHBondContact O-NZ 2.84Å; Q554-K559 VanDerWaalsContact OE1-CE 3.31Å; H555-K559 WeakPolarHBondContact O-CB 3.37Å; H555-K559 PolarHBondContact O-N 3Å; H556-K559 PolarHBondContact O-N 3.35Å
560	W	92.5	Very high	90.7	Very high	58 Å²	58	52.5 Å²	52.5	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-139.8	5.3	-176.4	66.8	80.2	0	0	0	114.4	V115 P116 L118 H556 F586	V115-W560 HydrophobicContact CB-CH2 4.45Å; V115-W560 HydrophobicContact CG1-CH2 3.66Å; V115-W560 HydrophobicContact CG1-CZ2 4.26Å; V115-W560 HydrophobicContact CG1-CZ3 4.32Å; V115-W560 HydrophobicContact CG2-CH2 4.34Å; P116-W560 HydrophobicContact CG-CD2 4.03Å; P116-W560 HydrophobicContact CG-CG 4.16Å; P116-W560 HydrophobicContact CG-CZ2 4.35Å; L118-W560 HydrophobicContact CD1-CB 4.1Å; L118-W560 HydrophobicContact CD1-CD2 4.23Å; L118-W560 HydrophobicContact CD1-CE3 3.61Å; L118-W560 HydrophobicContact CD1-CG 4.45Å; L118-W560 HydrophobicContact CD1-CZ3 4.36Å; H556-W560 HydrophobicContact CB-CH2 3.48Å; H556-W560 VanDerWaalsContact CB-CH2 3.48Å; H556-W560 HydrophobicContact CB-CZ2 3.4Å; H556-W560 VanDerWaalsContact CB-CZ2 3.4Å; H556-W560 HydrophobicContact CB-CZ3 4.14Å; H556-W560 AromaticContact CD2-CH2 3.01Å; H556-W560 WeakPolarHBondContact CD2-CH2 3.3Å; H556-W560 AromaticContact CD2-CZ2 3.86Å; H556-W560 AromaticContact CD2-CZ3 3.54Å; H556-W560 AromaticContact CG-CH2 3.28Å; H556-W560 AromaticContact CG-CZ2 3.63Å; H556-W560 AromaticContact NE2-CH2 3.77Å; H556-W560 PolarHBondContact O-N 2.95Å; H556-W560 VanDerWaalsContact O-N 3.08Å; W560-F586 HydrophobicContact CZ2-CD2 4.34Å; W560-F586 AromaticContact CZ2-CE2 3.87Å; W560-F586 HydrophobicContact CZ2-CE2 3.87Å; W560-F586 HydrophobicContact CZ2-CZ 4.37Å
561	G	93.7	Very high	88.6	Confident	2 Å²	2	61 Å²	61	2%	0.021	32%	0.315	C	S	.	.			trans	-68.7	146.7	179.6	0	0	0	0	0	112.4	S557 R581 K582	S557-G561 WeakPolarHBondContact O-CA 3.34Å; S557-G561 PolarHBondContact O-N 3.14Å; G561-R581 PolarHBondContact O-NE 2.58Å; G561-R581 PolarHBondContact O-NH2 3.44Å; G561-K582 CarbonylContact C-O 3.58Å; G561-K582 WeakPolarHBondContact CA-O 3.31Å
562	A	93.8	Very high	86.7	Confident	50 Å²	50	58.7 Å²	58.7	41%	0.413	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	158.7	174.3	0	0	0	0	0	111	R581 K582	A562-R581 WeakPolarHBondContact O-CA 3.28Å; A562-K582 PolarHBondContact N-O 2.83Å; A562-K582 PolarHBondContact O-N 2.85Å
563	M	94.7	Very high	85.1	Confident	23 Å²	23	62 Å²	62	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.9	177.3	175	-169.3	-179.6	0	0	110.4	I413 Y416 L451 P452 R565 F579 M580	I413-M563 HydrophobicContact CD1-CE 3.87Å; I413-M563 HydrophobicContact CG1-CE 3.83Å; Y416-M563 HydrophobicContact CD1-SD 4.18Å; Y416-M563 HydrophobicContact CE1-SD 3.99Å; L451-M563 HydrophobicContact CD2-CE 3.7Å; L451-M563 HydrophobicContact CD2-SD 3.63Å; P452-M563 HydrophobicContact CG-CB 3.53Å; M563-R565 HydrophobicContact CE-CG 4Å; M563-F579 HydrophobicContact CE-CB 3.59Å; M563-F579 HydrophobicContact CE-CD1 3.96Å; M563-F579 HydrophobicContact CE-CD2 4.19Å; M563-F579 HydrophobicContact CE-CG 3.66Å; M563-F579 HydrophobicContact CG-CB 3.95Å; M563-F579 HydrophobicContact CG-CD2 3.91Å; M563-F579 HydrophobicContact CG-CG 4.15Å; M563-F579 HydrophobicContact SD-CD2 4.5Å; M563-M580 VanDerWaalsContact CA-O 3.32Å; M563-M580 WeakPolarHBondContact CA-O 3.48Å
564	E	93.4	Very high	83.9	Confident	98 Å²	98	65.6 Å²	65.6	46%	0.458	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.5	170.5	-176.8	-175.3	168.8	0	0	108.5	F579 M580 K582	E564-F579 CarbonylContact O-C 3.59Å; E564-F579 WeakPolarHBondContact O-CA 3.36Å; E564-F579 WeakPolarHBondContact O-CB 3.5Å; E564-M580 PolarHBondContact N-O 2.65Å; E564-M580 PolarHBondContact O-N 2.77Å; E564-K582 IonicContact OE2-NZ 2.65Å; E564-K582 PolarHBondContact OE2-NZ 3.38Å
565	R	91.9	Very high	83.2	Confident	112 Å²	112	64.5 Å²	64.5	42%	0.423	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.1	175.2	-69.9	-173.4	75.2	178.6	-2.6	110.4	S417 M563	S417-R565 VanDerWaalsContact OG-CD 3.25Å; S417-R565 WeakPolarHBondContact OG-CD 3.48Å; M563-R565 HydrophobicContact CE-CG 4Å
566	I	91.3	Very high	82.8	Confident	18 Å²	18	61.5 Å²	61.5	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.9	173.2	63.3	175	0	0	0	109.9	F568 A578 M580 I590 F608	I566-F568 HydrophobicContact CD1-CE2 4.14Å; I566-F568 HydrophobicContact CD1-CZ 3.99Å; I566-F568 HydrophobicContact CG1-CE2 4.4Å; I566-A578 HydrophobicContact CD1-CB 4.06Å; I566-A578 HydrophobicContact CG1-CB 3.55Å; I566-A578 PolarHBondContact N-O 3.45Å; I566-M580 HydrophobicContact CD1-CG 4.2Å; I566-M580 HydrophobicContact CG2-CG 3.8Å; I566-M580 HydrophobicContact CG2-SD 4.13Å; I566-I590 HydrophobicContact CD1-CG2 3.75Å; I566-F608 HydrophobicContact CB-CD1 4.3Å; I566-F608 HydrophobicContact CB-CE1 3.65Å; I566-F608 HydrophobicContact CB-CZ 3.88Å; I566-F608 HydrophobicContact CD1-CD1 4.31Å; I566-F608 HydrophobicContact CD1-CD2 4.2Å; I566-F608 HydrophobicContact CD1-CE1 4.24Å; I566-F608 HydrophobicContact CD1-CE2 4.13Å; I566-F608 HydrophobicContact CD1-CG 4.3Å; I566-F608 HydrophobicContact CD1-CZ 4.15Å; I566-F608 HydrophobicContact CG1-CE1 4.5Å; I566-F608 HydrophobicContact CG1-CZ 4.44Å; I566-F608 HydrophobicContact CG2-CD1 3.9Å; I566-F608 HydrophobicContact CG2-CE1 3.64Å; I566-F608 HydrophobicContact CG2-CZ 4.37Å
567	S	85.7	Confident	82.5	Confident	86 Å²	86	58.3 Å²	58.3	60%	0.601	31%	0.312	S	S	*	.			trans	-130.1	141.6	179.7	64.7	0	0	0	0	110.6
568	F	83.7	Confident	82.4	Confident	35 Å²	35	58.4 Å²	58.4	15%	0.154	31%	0.314	C	S	.	.			trans	-101	37.3	177.2	-65.8	-84.1	0	0	0	112.5	I566 I576 A578 I592 Y601 L603 D604 L605 F608	I566-F568 HydrophobicContact CD1-CE2 4.14Å; I566-F568 HydrophobicContact CD1-CZ 3.99Å; I566-F568 HydrophobicContact CG1-CE2 4.4Å; F568-I576 HydrophobicContact CD2-CG2 3.96Å; F568-A578 HydrophobicContact CD2-CB 4.19Å; F568-A578 HydrophobicContact CE2-CB 3.59Å; F568-I592 HydrophobicContact CE2-CD1 4.04Å; F568-I592 HydrophobicContact CE2-CG1 4.29Å; F568-I592 HydrophobicContact CZ-CD1 3.86Å; F568-Y601 VanDerWaalsContact CB-OH 3.26Å; F568-Y601 WeakPolarHBondContact CB-OH 3.47Å; F568-L603 HydrophobicContact CD1-CD1 4.03Å; F568-L603 HydrophobicContact CD2-CD1 4.22Å; F568-L603 HydrophobicContact CE1-CD1 3.64Å; F568-L603 HydrophobicContact CE2-CD1 3.85Å; F568-L603 HydrophobicContact CG-CD1 4.31Å; F568-L603 HydrophobicContact CZ-CD1 3.57Å; F568-D604 WeakPolarHBondContact CE1-O 3.44Å; F568-L605 HydrophobicContact CE1-CD2 3.85Å; F568-L605 HydrophobicContact CZ-CD2 3.71Å; F568-F608 HydrophobicContact CD1-CE2 4.05Å; F568-F608 HydrophobicContact CE1-CD2 4.12Å; F568-F608 AromaticContact CE1-CE2 3.45Å; F568-F608 HydrophobicContact CE1-CE2 3.45Å; F568-F608 VanDerWaalsContact CE1-CE2 3.45Å; F568-F608 HydrophobicContact CE1-CZ 4.4Å; F568-F608 HydrophobicContact CZ-CD2 4.36Å; F568-F608 AromaticContact CZ-CE2 3.83Å; F568-F608 HydrophobicContact CZ-CE2 3.83Å
569	G	72.8	Confident	82.3	Confident	47 Å²	47	58.4 Å²	58.4	49%	0.485	31%	0.314	S	S	.	.	S	Bend	trans	107.2	-176.6	178.5	0	0	0	0	0	114.6	E571	G569-E571 VanDerWaalsContact C-N 3.3Å; G569-E571 PolarHBondContact O-N 3.32Å
570	K	56.5	Low	82.4	Confident	219 Å²	219	57 Å²	57	95%	0.952	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.8	-169.8	-78.5	-176.6	175.4	-179.5	0	114.9
571	E	52.6	Low	82.6	Confident	186 Å²	186	54.2 Å²	54.2	87%	0.869	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	1.1	-171.1	-63.1	-168.6	169.2	0	0	114.3	G569	G569-E571 VanDerWaalsContact C-N 3.3Å; G569-E571 PolarHBondContact O-N 3.32Å
572	S	56.2	Low	82.7	Confident	13 Å²	13	57.6 Å²	57.6	9%	0.091	31%	0.311	C	S	.	.			trans	-101.8	9	-165.5	109.3	0	0	0	0	116.3	S574 I576	S572-S574 PolarHBondContact O-N 3.26Å; S572-I576 PolarHBondContact O-N 3.5Å; S572-I576 VanDerWaalsContact O-N 3.09Å
573	S	62.1	Low	82.7	Confident	81 Å²	81	55.9 Å²	55.9	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.6	-162.3	66.3	0	0	0	0	115.9
574	S	70.1	Confident	82.6	Confident	83 Å²	83	64.5 Å²	64.5	58%	0.58	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-38	179.2	56	0	0	0	0	113.6	S572	S572-S574 PolarHBondContact O-N 3.26Å
575	Q	79.8	Confident	82.5	Confident	62 Å²	62	62.5 Å²	62.5	29%	0.29	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-22.4	-177	-69.4	179	-47.8	0	0	113.7	L594 K595 D596 M598	Q575-L594 CarbonylContact O-C 3.24Å; Q575-L594 WeakPolarHBondContact O-CA 3.35Å; Q575-K595 WeakPolarHBondContact CB-O 3.48Å; Q575-K595 PolarHBondContact O-N 3.27Å; Q575-D596 PolarHBondContact NE2-O 2.88Å; Q575-M598 VanDerWaalsContact NE2-CG 3.32Å
576	I	86.8	Confident	82.6	Confident	11 Å²	11	59.4 Å²	59.4	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	109.6	-174.5	-51.3	-170.1	0	0	0	109.6	F568 S572 I592 L594 Y601	F568-I576 HydrophobicContact CD2-CG2 3.96Å; S572-I576 PolarHBondContact O-N 3.5Å; S572-I576 VanDerWaalsContact O-N 3.09Å; I576-I592 HydrophobicContact CG2-CG2 4.11Å; I576-L594 HydrophobicContact CB-CD2 4Å; I576-L594 HydrophobicContact CD1-CD2 3.71Å; I576-L594 HydrophobicContact CG1-CD2 3.52Å; I576-L594 HydrophobicContact CG2-CD2 3.68Å; I576-Y601 HydrophobicContact CD1-CD1 3.94Å; I576-Y601 HydrophobicContact CD1-CD2 3.96Å; I576-Y601 HydrophobicContact CD1-CE1 3.43Å; I576-Y601 VanDerWaalsContact CD1-CE1 3.43Å; I576-Y601 HydrophobicContact CD1-CE2 3.46Å; I576-Y601 VanDerWaalsContact CD1-CE2 3.46Å; I576-Y601 HydrophobicContact CD1-CG 4.17Å; I576-Y601 WeakPolarHBondContact CD1-OH 3.35Å
577	E	89	Confident	82.8	Confident	2 Å²	2	61 Å²	61	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119	172.3	-66.5	-176.9	156.2	0	0	108.8	T411 I413 I592 I593 K595	T411-E577 VanDerWaalsContact CB-OE1 3.22Å; T411-E577 WeakPolarHBondContact CB-OE1 3.2Å; T411-E577 PolarHBondContact OG1-OE1 3.34Å; I413-E577 HydrophobicContact CD1-CB 4.2Å; I413-E577 HydrophobicContact CG2-CB 4Å; I413-E577 HydrophobicContact CG2-CG 3.67Å; I413-E577 VanDerWaalsContact CG2-OE1 3.3Å; I413-E577 WeakPolarHBondContact CG2-OE1 3.22Å; E577-I592 WeakPolarHBondContact O-CA 3.34Å; E577-I593 HydrophobicContact CB-CB 4.28Å; E577-I593 PolarHBondContact N-O 2.97Å; E577-I593 PolarHBondContact O-N 3.22Å; E577-K595 VanDerWaalsContact CD-NZ 3.31Å; E577-K595 IonicContact OE1-NZ 3.09Å; E577-K595 PolarHBondContact OE1-NZ 2.93Å; E577-K595 WeakPolarHBondContact OE2-CE 3.5Å; E577-K595 IonicContact OE2-NZ 3.24Å; E577-K595 PolarHBondContact OE2-NZ 3Å
578	A	92.8	Very high	83.3	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.033	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145	-176.4	0	0	0	0	0	113	I566 F568 V591 I592	I566-A578 HydrophobicContact CD1-CB 4.06Å; I566-A578 HydrophobicContact CG1-CB 3.55Å; I566-A578 PolarHBondContact N-O 3.45Å; F568-A578 HydrophobicContact CD2-CB 4.19Å; F568-A578 HydrophobicContact CE2-CB 3.59Å; A578-V591 VanDerWaalsContact CA-O 3.25Å; A578-V591 WeakPolarHBondContact CA-O 3.44Å; A578-I592 HydrophobicContact CB-CG1 4.01Å; A578-I592 HydrophobicContact CB-CG2 4.46Å
579	F	94.8	Very high	83.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.1	177.2	60.6	-84.9	0	0	0	111.6	I413 L447 L450 L451 M563 E564 R581 V591	I413-F579 HydrophobicContact CD1-CD1 3.49Å; I413-F579 VanDerWaalsContact CD1-CD1 3.49Å; I413-F579 HydrophobicContact CD1-CE1 3.83Å; I413-F579 HydrophobicContact CD1-CG 4.48Å; L447-F579 HydrophobicContact CD2-CE1 3.92Å; L447-F579 HydrophobicContact CD2-CZ 4.44Å; L450-F579 HydrophobicContact CB-CZ 4.04Å; L451-F579 HydrophobicContact CD2-CD1 4.46Å; L451-F579 HydrophobicContact CD2-CE1 3.92Å; L451-F579 HydrophobicContact CD2-CE2 4.08Å; L451-F579 HydrophobicContact CD2-CZ 3.69Å; L451-F579 HydrophobicContact CG-CZ 4.24Å; M563-F579 HydrophobicContact CE-CB 3.59Å; M563-F579 HydrophobicContact CE-CD1 3.96Å; M563-F579 HydrophobicContact CE-CD2 4.19Å; M563-F579 HydrophobicContact CE-CG 3.66Å; M563-F579 HydrophobicContact CG-CB 3.95Å; M563-F579 HydrophobicContact CG-CD2 3.91Å; M563-F579 HydrophobicContact CG-CG 4.15Å; M563-F579 HydrophobicContact SD-CD2 4.5Å; E564-F579 CarbonylContact O-C 3.59Å; E564-F579 WeakPolarHBondContact O-CA 3.36Å; E564-F579 WeakPolarHBondContact O-CB 3.5Å; F579-R581 HydrophobicContact CD2-CG 4.06Å; F579-R581 HydrophobicContact CE2-CG 3.82Å; F579-V591 HydrophobicContact CD1-CB 4.12Å; F579-V591 HydrophobicContact CD1-CG1 4.31Å; F579-V591 HydrophobicContact CD2-CB 4.11Å; F579-V591 HydrophobicContact CD2-CG2 4.33Å; F579-V591 HydrophobicContact CE1-CB 3.76Å; F579-V591 HydrophobicContact CE1-CG1 3.55Å; F579-V591 HydrophobicContact CE2-CB 3.71Å; F579-V591 HydrophobicContact CE2-CG1 4.16Å; F579-V591 HydrophobicContact CE2-CG2 3.72Å; F579-V591 HydrophobicContact CG-CB 4.32Å; F579-V591 HydrophobicContact CZ-CB 3.56Å; F579-V591 HydrophobicContact CZ-CG1 3.48Å; F579-V591 VanDerWaalsContact CZ-CG1 3.48Å; F579-V591 HydrophobicContact CZ-CG2 3.89Å; F579-V591 PolarHBondContact N-O 3.01Å; F579-V591 PolarHBondContact O-N 3.44Å
580	M	96.5	Very high	85.1	Confident	7 Å²	7	54.6 Å²	54.6	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.1	170.7	-61.4	-173.4	78.6	0	0	110.8	M563 E564 I566 K582 F589 I590 F608	M563-M580 VanDerWaalsContact CA-O 3.32Å; M563-M580 WeakPolarHBondContact CA-O 3.48Å; E564-M580 PolarHBondContact N-O 2.65Å; E564-M580 PolarHBondContact O-N 2.77Å; I566-M580 HydrophobicContact CD1-CG 4.2Å; I566-M580 HydrophobicContact CG2-CG 3.8Å; I566-M580 HydrophobicContact CG2-SD 4.13Å; M580-K582 HydrophobicContact CB-CG 4.25Å; M580-K582 VanDerWaalsContact CE-CE 3.45Å; M580-K582 WeakPolarHBondContact SD-CE 3.44Å; M580-F589 CarbonylContact C-O 3.45Å; M580-F589 WeakPolarHBondContact CA-O 3.41Å; M580-I590 HydrophobicContact CE-CD1 4.46Å; M580-I590 HydrophobicContact CE-CG1 3.89Å; M580-I590 HydrophobicContact CG-CG1 4.04Å; M580-I590 HydrophobicContact SD-CG1 4.47Å; M580-F608 HydrophobicContact CE-CB 4.44Å; M580-F608 HydrophobicContact SD-CB 4.26Å; M580-F608 HydrophobicContact SD-CD1 4.33Å
581	R	97.1	Very high	87	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.7	167.5	-63.7	-62	-57.4	-69.5	-1.3	109.3	L450 L451 S557 M558 G561 A562 F579 S588 F589	L450-R581 PolarHBondContact O-NH1 2.71Å; L451-R581 PolarHBondContact O-NH1 2.74Å; S557-R581 PolarHBondContact O-NH2 2.81Å; M558-R581 HydrophobicContact CE-CG 4.48Å; M558-R581 VanDerWaalsContact O-CZ 3.3Å; M558-R581 PolarHBondContact O-NH1 3.19Å; M558-R581 PolarHBondContact O-NH2 3.32Å; M558-R581 HydrophobicContact SD-CB 3.84Å; M558-R581 HydrophobicContact SD-CG 3.79Å; G561-R581 PolarHBondContact O-NE 2.58Å; G561-R581 PolarHBondContact O-NH2 3.44Å; A562-R581 WeakPolarHBondContact O-CA 3.28Å; F579-R581 HydrophobicContact CD2-CG 4.06Å; F579-R581 HydrophobicContact CE2-CG 3.82Å; R581-S588 WeakPolarHBondContact O-CA 3.42Å; R581-F589 HydrophobicContact CB-CB 4.37Å; R581-F589 PolarHBondContact N-O 3.24Å; R581-F589 PolarHBondContact O-N 2.98Å
582	K	95.6	Very high	88.9	Confident	73 Å²	73	35.3 Å²	35.3	32%	0.317	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.6	-172.6	-57.4	-174.2	175.2	166.7	0	111.3	G561 A562 E564 M580	G561-K582 CarbonylContact C-O 3.58Å; G561-K582 WeakPolarHBondContact CA-O 3.31Å; A562-K582 PolarHBondContact N-O 2.83Å; A562-K582 PolarHBondContact O-N 2.85Å; E564-K582 IonicContact OE2-NZ 2.65Å; E564-K582 PolarHBondContact OE2-NZ 3.38Å; M580-K582 HydrophobicContact CB-CG 4.25Å; M580-K582 VanDerWaalsContact CE-CE 3.45Å; M580-K582 WeakPolarHBondContact SD-CE 3.44Å
583	A	94.3	Very high	90.6	Very high	13 Å²	13	34.7 Å²	34.7	11%	0.107	20%	0.202	C	C	.	.			trans	-122.6	137.8	166.9	0	0	0	0	0	110	S557 G585 F586	S557-A583 PolarHBondContact OG-N 3.25Å; A583-G585 PolarHBondContact O-N 2.85Å; A583-F586 HydrophobicContact CB-CB 4.34Å; A583-F586 HydrophobicContact CB-CD2 3.9Å; A583-F586 PolarHBondContact O-N 3.4Å
584	K	92.2	Very high	91.9	Very high	205 Å²	205	30.8 Å²	30.8	89%	0.891	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	121.7	-176.7	-174.8	178.2	-179.5	177.8	0	111	F586	K584-F586 WeakPolarHBondContact O-CD2 3.32Å
585	G	91.7	Very high	92.6	Very high	55 Å²	55	28.4 Å²	28.4	57%	0.567	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	6	179.3	0	0	0	0	0	115.3	P113 A583	P113-G585 VanDerWaalsContact CG-O 3.3Å; P113-G585 WeakPolarHBondContact CG-O 3.34Å; A583-G585 PolarHBondContact O-N 2.85Å
586	F	94.2	Very high	92.6	Very high	47 Å²	47	30.7 Å²	30.7	21%	0.206	17%	0.168	C	C	.	.	S	Bend	trans	-123.3	157.7	177.1	-58.1	-70.6	0	0	0	110.8	P113 V115 H556 W560 A583 K584	P113-F586 HydrophobicContact CB-CE1 4.2Å; P113-F586 HydrophobicContact CB-CE2 3.88Å; P113-F586 HydrophobicContact CB-CZ 3.7Å; P113-F586 HydrophobicContact CG-CE1 4.4Å; P113-F586 HydrophobicContact CG-CZ 4.39Å; V115-F586 HydrophobicContact CG2-CZ 3.81Å; H556-F586 HydrophobicContact CB-CB 4.13Å; H556-F586 HydrophobicContact CB-CD1 3.95Å; H556-F586 HydrophobicContact CB-CD2 3.83Å; H556-F586 HydrophobicContact CB-CE1 4.34Å; H556-F586 HydrophobicContact CB-CE2 4.21Å; H556-F586 HydrophobicContact CB-CG 3.67Å; H556-F586 HydrophobicContact CB-CZ 4.43Å; H556-F586 AromaticContact CE1-CE1 3.56Å; H556-F586 AromaticContact CG-CD1 3.89Å; H556-F586 AromaticContact CG-CE1 3.9Å; H556-F586 AromaticContact ND1-CD1 3.07Å; H556-F586 WeakPolarHBondContact ND1-CD1 3.49Å; H556-F586 AromaticContact ND1-CE1 2.89Å; H556-F586 WeakPolarHBondContact ND1-CE1 3.47Å; H556-F586 AromaticContact ND1-CG 3.75Å; H556-F586 AromaticContact ND1-CZ 3.4Å; H556-F586 WeakPolarHBondContact ND1-CZ 3.48Å; W560-F586 HydrophobicContact CZ2-CD2 4.34Å; W560-F586 AromaticContact CZ2-CE2 3.87Å; W560-F586 HydrophobicContact CZ2-CE2 3.87Å; W560-F586 HydrophobicContact CZ2-CZ 4.37Å; A583-F586 HydrophobicContact CB-CB 4.34Å; A583-F586 HydrophobicContact CB-CD2 3.9Å; A583-F586 PolarHBondContact O-N 3.4Å; K584-F586 WeakPolarHBondContact O-CD2 3.32Å
587	S	94	Very high	92.2	Very high	52 Å²	52	30.4 Å²	30.4	36%	0.364	17%	0.167	S	C	.	.			trans	-56.6	139.9	178	-41.8	0	0	0	0	111.4	S557 E650	S557-S587 VanDerWaalsContact CB-O 3.24Å; S557-S587 WeakPolarHBondContact CB-O 3.49Å; S557-S587 PolarHBondContact OG-O 2.94Å; S587-E650 WeakPolarHBondContact CB-OE1 3.3Å; S587-E650 PolarHBondContact OG-OE1 3.42Å
588	S	96.3	Very high	91.8	Very high	30 Å²	30	36.3 Å²	36.3	21%	0.21	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151	175.8	-60.5	0	0	0	0	110.3	R581 C651	R581-S588 WeakPolarHBondContact O-CA 3.42Å; S588-C651 PolarHBondContact O-N 3.13Å
589	F	97.4	Very high	91.3	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.6	176.5	-67.4	-105	0	0	0	109.6	L552 H555 M558 M580 R581 R615 V648 F649 E650	L552-F589 HydrophobicContact CD1-CD1 4.39Å; L552-F589 HydrophobicContact CD1-CE1 3.99Å; H555-F589 HydrophobicContact CB-CE2 4.04Å; H555-F589 HydrophobicContact CB-CZ 3.77Å; H555-F589 AromaticContact CG-CZ 3.68Å; H555-F589 AromaticContact ND1-CZ 3.64Å; M558-F589 HydrophobicContact CG-CD1 4.3Å; M558-F589 HydrophobicContact CG-CD2 4.1Å; M558-F589 HydrophobicContact CG-CE2 4.38Å; M558-F589 HydrophobicContact CG-CG 4.09Å; M558-F589 HydrophobicContact SD-CB 3.74Å; M558-F589 HydrophobicContact SD-CD1 4.29Å; M558-F589 HydrophobicContact SD-CD2 4.23Å; M558-F589 HydrophobicContact SD-CG 3.83Å; M580-F589 CarbonylContact C-O 3.45Å; M580-F589 WeakPolarHBondContact CA-O 3.41Å; R581-F589 HydrophobicContact CB-CB 4.37Å; R581-F589 PolarHBondContact N-O 3.24Å; R581-F589 PolarHBondContact O-N 2.98Å; F589-R615 HydrophobicContact CE1-CG 4.08Å; F589-V648 HydrophobicContact CB-CG1 4.28Å; F589-V648 HydrophobicContact CD1-CG1 4Å; F589-F649 CarbonylContact C-O 3.55Å; F589-F649 WeakPolarHBondContact CA-O 3.47Å; F589-E650 HydrophobicContact CD1-CB 4.13Å; F589-E650 HydrophobicContact CE1-CB 3.88Å; F589-E650 HydrophobicContact CE1-CG 4.17Å; F589-E650 HydrophobicContact CE2-CG 4.46Å; F589-E650 HydrophobicContact CZ-CB 4.3Å; F589-E650 HydrophobicContact CZ-CG 4.07Å
590	I	96.9	Very high	90.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.6	168.8	-62.2	168.8	0	0	0	107.4	I566 M580 I592 L605 F608 C609 V648 F649	I566-I590 HydrophobicContact CD1-CG2 3.75Å; M580-I590 HydrophobicContact CE-CD1 4.46Å; M580-I590 HydrophobicContact CE-CG1 3.89Å; M580-I590 HydrophobicContact CG-CG1 4.04Å; M580-I590 HydrophobicContact SD-CG1 4.47Å; I590-I592 HydrophobicContact CG2-CD1 3.77Å; I590-I592 HydrophobicContact CG2-CG1 3.74Å; I590-L605 HydrophobicContact CD1-CD2 4.31Å; I590-L605 HydrophobicContact CG2-CD2 4.37Å; I590-F608 HydrophobicContact CD1-CB 3.79Å; I590-C609 HydrophobicContact CD1-CB 4.37Å; I590-V648 CarbonylContact O-C 3.52Å; I590-V648 VanDerWaalsContact O-CA 3.3Å; I590-V648 WeakPolarHBondContact O-CA 3.42Å; I590-F649 HydrophobicContact CB-CB 4.45Å; I590-F649 PolarHBondContact N-O 3.41Å; I590-F649 PolarHBondContact O-N 3.15Å
591	V	96.1	Very high	90.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	174.9	-179.9	0	0	0	0	108.7	L450 M558 A578 F579 I593 L647 V648	L450-V591 HydrophobicContact CB-CG1 4.24Å; L450-V591 HydrophobicContact CD1-CG1 3.78Å; L450-V591 HydrophobicContact CD2-CG2 4.34Å; L450-V591 HydrophobicContact CG-CG1 4.43Å; M558-V591 HydrophobicContact CE-CG2 4.28Å; A578-V591 VanDerWaalsContact CA-O 3.25Å; A578-V591 WeakPolarHBondContact CA-O 3.44Å; F579-V591 HydrophobicContact CD1-CB 4.12Å; F579-V591 HydrophobicContact CD1-CG1 4.31Å; F579-V591 HydrophobicContact CD2-CB 4.11Å; F579-V591 HydrophobicContact CD2-CG2 4.33Å; F579-V591 HydrophobicContact CE1-CB 3.76Å; F579-V591 HydrophobicContact CE1-CG1 3.55Å; F579-V591 HydrophobicContact CE2-CB 3.71Å; F579-V591 HydrophobicContact CE2-CG1 4.16Å; F579-V591 HydrophobicContact CE2-CG2 3.72Å; F579-V591 HydrophobicContact CG-CB 4.32Å; F579-V591 HydrophobicContact CZ-CB 3.56Å; F579-V591 HydrophobicContact CZ-CG1 3.48Å; F579-V591 VanDerWaalsContact CZ-CG1 3.48Å; F579-V591 HydrophobicContact CZ-CG2 3.89Å; F579-V591 PolarHBondContact N-O 3.01Å; F579-V591 PolarHBondContact O-N 3.44Å; V591-I593 HydrophobicContact CG1-CD1 4.47Å; V591-L647 WeakPolarHBondContact CA-O 3.36Å; V591-V648 HydrophobicContact CG1-CG2 4.4Å; V591-V648 HydrophobicContact CG2-CG1 4.08Å; V591-V648 HydrophobicContact CG2-CG2 4.21Å
592	I	93.7	Very high	90	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.5	-177.1	-54.3	170.2	0	0	0	108.3	F568 I576 E577 A578 I590 L594 L603 L605 L647 F649	F568-I592 HydrophobicContact CE2-CD1 4.04Å; F568-I592 HydrophobicContact CE2-CG1 4.29Å; F568-I592 HydrophobicContact CZ-CD1 3.86Å; I576-I592 HydrophobicContact CG2-CG2 4.11Å; E577-I592 WeakPolarHBondContact O-CA 3.34Å; A578-I592 HydrophobicContact CB-CG1 4.01Å; A578-I592 HydrophobicContact CB-CG2 4.46Å; I590-I592 HydrophobicContact CG2-CD1 3.77Å; I590-I592 HydrophobicContact CG2-CG1 3.74Å; I592-L594 HydrophobicContact CG2-CD2 3.67Å; I592-L594 HydrophobicContact CG2-CG 3.99Å; I592-L603 HydrophobicContact CD1-CD1 3.67Å; I592-L603 HydrophobicContact CD1-CD2 3.52Å; I592-L603 HydrophobicContact CD1-CG 4.1Å; I592-L605 HydrophobicContact CD1-CD2 3.74Å; I592-L647 HydrophobicContact CB-CB 4.32Å; I592-L647 PolarHBondContact N-O 3.39Å; I592-L647 PolarHBondContact O-N 3.19Å; I592-F649 HydrophobicContact CD1-CD2 4.36Å; I592-F649 HydrophobicContact CD1-CE2 4.21Å
593	I	92	Very high	89.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.2	172	-47.8	-64	0	0	0	106.6	N443 L447 L450 E577 V591 K595 Y645 I646	N443-I593 HydrophobicContact CB-CG2 3.98Å; L447-I593 HydrophobicContact CD2-CD1 4.44Å; L447-I593 HydrophobicContact CD2-CG1 3.95Å; L447-I593 HydrophobicContact CG-CG1 4.33Å; L450-I593 HydrophobicContact CD1-CD1 4.48Å; E577-I593 HydrophobicContact CB-CB 4.28Å; E577-I593 PolarHBondContact N-O 2.97Å; E577-I593 PolarHBondContact O-N 3.22Å; V591-I593 HydrophobicContact CG1-CD1 4.47Å; I593-K595 HydrophobicContact CG2-CG 4Å; I593-Y645 CarbonylContact C-O 3.34Å; I593-Y645 WeakPolarHBondContact CA-O 3.32Å; I593-I646 HydrophobicContact CD1-CB 4.12Å; I593-I646 HydrophobicContact CD1-CG1 3.81Å; I593-I646 HydrophobicContact CD1-CG2 3.74Å
594	L	88.7	Confident	89.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.8	172.5	-52.9	174.3	0	0	0	106.8	Q575 I576 I592 L597 I637 N644 Y645 L647	Q575-L594 CarbonylContact O-C 3.24Å; Q575-L594 WeakPolarHBondContact O-CA 3.35Å; I576-L594 HydrophobicContact CB-CD2 4Å; I576-L594 HydrophobicContact CD1-CD2 3.71Å; I576-L594 HydrophobicContact CG1-CD2 3.52Å; I576-L594 HydrophobicContact CG2-CD2 3.68Å; I592-L594 HydrophobicContact CG2-CD2 3.67Å; I592-L594 HydrophobicContact CG2-CG 3.99Å; L594-L597 HydrophobicContact CB-CD1 3.95Å; L594-L597 HydrophobicContact CB-CD2 4.18Å; L594-L597 HydrophobicContact CB-CG 4.04Å; L594-L597 HydrophobicContact CD1-CD1 3.94Å; L594-L597 HydrophobicContact CD2-CD2 4.5Å; L594-L597 HydrophobicContact CG-CD1 4.5Å; L594-I637 HydrophobicContact CD1-CB 4.32Å; L594-I637 HydrophobicContact CD1-CG1 4.02Å; L594-I637 HydrophobicContact CD1-CG2 3.87Å; L594-N644 CarbonylContact O-C 3.48Å; L594-N644 WeakPolarHBondContact O-CA 3.27Å; L594-Y645 PolarHBondContact N-O 3.37Å; L594-Y645 PolarHBondContact O-N 2.88Å; L594-L647 HydrophobicContact CD1-CD1 4.03Å
595	K	84.8	Confident	89.6	Confident	32 Å²	32	43.4 Å²	43.4	14%	0.139	24%	0.236	C	C	.	.			trans	-118.6	131.9	-180	-59.3	-179	-174.3	167.9	0	109.1	Q575 E577 I593 L597 N644	Q575-K595 WeakPolarHBondContact CB-O 3.48Å; Q575-K595 PolarHBondContact O-N 3.27Å; E577-K595 VanDerWaalsContact CD-NZ 3.31Å; E577-K595 IonicContact OE1-NZ 3.09Å; E577-K595 PolarHBondContact OE1-NZ 2.93Å; E577-K595 WeakPolarHBondContact OE2-CE 3.5Å; E577-K595 IonicContact OE2-NZ 3.24Å; E577-K595 PolarHBondContact OE2-NZ 3Å; I593-K595 HydrophobicContact CG2-CG 4Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.24Å; K595-N644 VanDerWaalsContact CA-OD1 3.28Å; K595-N644 WeakPolarHBondContact CA-OD1 3.36Å
596	D	80.6	Confident	89.6	Confident	110 Å²	110	44.3 Å²	44.3	59%	0.588	23%	0.23	S	C	*	.	S	Bend	trans	46.2	50.1	171.7	-58.5	-40.5	0	0	0	113.9	Q575 M598 S643 N644	Q575-D596 PolarHBondContact NE2-O 2.88Å; D596-M598 PolarHBondContact O-N 2.98Å; D596-M598 VanDerWaalsContact O-N 3.12Å; D596-S643 PolarHBondContact N-O 3.32Å; D596-N644 PolarHBondContact N-OD1 3.43Å
597	L	78.5	Confident	89.4	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.251	C	S	.	.			trans	-56.2	120	176.5	-66.1	168.2	0	0	0	110.5	L594 K595 I637 S643 Y645	L594-L597 HydrophobicContact CB-CD1 3.95Å; L594-L597 HydrophobicContact CB-CD2 4.18Å; L594-L597 HydrophobicContact CB-CG 4.04Å; L594-L597 HydrophobicContact CD1-CD1 3.94Å; L594-L597 HydrophobicContact CD2-CD2 4.5Å; L594-L597 HydrophobicContact CG-CD1 4.5Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.24Å; L597-I637 HydrophobicContact CD1-CG2 3.76Å; L597-S643 PolarHBondContact N-O 3.43Å; L597-S643 PolarHBondContact O-OG 3.4Å; L597-Y645 HydrophobicContact CD1-CD2 3.89Å; L597-Y645 HydrophobicContact CD1-CE2 4.12Å
598	M	78.9	Confident	89.3	Confident	126 Å²	126	47.3 Å²	47.3	62%	0.621	25%	0.247	S	C	*	.	S	Bend	trans	-84.1	-20.8	-179.5	-68.3	-63.4	-75	0	0	112.5	Q575 D596 K639	Q575-M598 VanDerWaalsContact NE2-CG 3.32Å; D596-M598 PolarHBondContact O-N 2.98Å; D596-M598 VanDerWaalsContact O-N 3.12Å; M598-K639 VanDerWaalsContact O-CD 3.26Å; M598-K639 WeakPolarHBondContact O-CD 3.43Å; M598-K639 VanDerWaalsContact O-CE 3.23Å; M598-K639 WeakPolarHBondContact O-CE 3.43Å; M598-K639 PolarHBondContact O-NZ 2.83Å
599	E	83.1	Confident	89	Confident	153 Å²	153	46.4 Å²	46.4	72%	0.715	24%	0.24	S	C	*	.	S	Bend	trans	-145.9	167.1	-176.9	-61.3	-172.8	-178.6	0	0	110.2
600	N	86	Confident	88.6	Confident	86 Å²	86	51.4 Å²	51.4	46%	0.46	28%	0.276	S	S	.	.			trans	-62.8	141.7	172.7	-58.3	-46.8	0	0	0	109.7	Y636 I637 P638 K639	N600-Y636 HydrophobicContact CB-CE2 3.79Å; N600-Y636 WeakPolarHBondContact CB-OH 3.5Å; N600-Y636 PolarHBondContact ND2-OH 3.45Å; N600-Y636 PolarHBondContact OD1-OH 3.3Å; N600-I637 WeakPolarHBondContact CA-O 3.46Å; N600-P638 WeakPolarHBondContact OD1-CA 3Å; N600-K639 PolarHBondContact OD1-N 2.94Å
601	Y	85.6	Confident	88.3	Confident	56 Å²	56	53.6 Å²	53.6	22%	0.22	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.5	-174.9	-167	-98.5	0	0	0	111.3	F568 I576 L603 I637	F568-Y601 VanDerWaalsContact CB-OH 3.26Å; F568-Y601 WeakPolarHBondContact CB-OH 3.47Å; I576-Y601 HydrophobicContact CD1-CD1 3.94Å; I576-Y601 HydrophobicContact CD1-CD2 3.96Å; I576-Y601 HydrophobicContact CD1-CE1 3.43Å; I576-Y601 VanDerWaalsContact CD1-CE1 3.43Å; I576-Y601 HydrophobicContact CD1-CE2 3.46Å; I576-Y601 VanDerWaalsContact CD1-CE2 3.46Å; I576-Y601 HydrophobicContact CD1-CG 4.17Å; I576-Y601 WeakPolarHBondContact CD1-OH 3.35Å; Y601-L603 HydrophobicContact CD1-CB 4.21Å; Y601-L603 HydrophobicContact CE1-CB 4.27Å; Y601-L603 HydrophobicContact CE1-CD1 4.12Å; Y601-I637 PolarHBondContact N-O 2.87Å; Y601-I637 PolarHBondContact O-N 2.99Å
602	L	89.1	Confident	88.1	Confident	105 Å²	105	53.6 Å²	53.6	55%	0.55	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	105.6	171.6	-177.1	67.3	0	0	0	109.2	D604 K634	L602-D604 PolarHBondContact O-N 3.14Å; L602-K634 HydrophobicContact CD1-CB 4.36Å
603	L	89.1	Confident	88.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108.7	178.6	-178.9	72.8	0	0	0	110.3	F568 I592 Y601 L605 K634 I635 L647 F649	F568-L603 HydrophobicContact CD1-CD1 4.03Å; F568-L603 HydrophobicContact CD2-CD1 4.22Å; F568-L603 HydrophobicContact CE1-CD1 3.64Å; F568-L603 HydrophobicContact CE2-CD1 3.85Å; F568-L603 HydrophobicContact CG-CD1 4.31Å; F568-L603 HydrophobicContact CZ-CD1 3.57Å; I592-L603 HydrophobicContact CD1-CD1 3.67Å; I592-L603 HydrophobicContact CD1-CD2 3.52Å; I592-L603 HydrophobicContact CD1-CG 4.1Å; Y601-L603 HydrophobicContact CD1-CB 4.21Å; Y601-L603 HydrophobicContact CE1-CB 4.27Å; Y601-L603 HydrophobicContact CE1-CD1 4.12Å; L603-L605 HydrophobicContact CD1-CD2 4.12Å; L603-L605 HydrophobicContact CD2-CD1 4.4Å; L603-L605 HydrophobicContact CD2-CD2 3.94Å; L603-L605 HydrophobicContact CD2-CG 4.25Å; L603-L605 HydrophobicContact CG-CD2 3.8Å; L603-L605 HydrophobicContact CG-CG 4.18Å; L603-K634 CarbonylContact O-C 3.49Å; L603-K634 WeakPolarHBondContact O-CA 3.11Å; L603-I635 HydrophobicContact CB-CB 4.33Å; L603-I635 WeakPolarHBondContact CB-O 3.49Å; L603-I635 HydrophobicContact CD2-CB 4.47Å; L603-I635 HydrophobicContact CD2-CD1 4.44Å; L603-I635 PolarHBondContact N-O 3.37Å; L603-I635 PolarHBondContact O-N 2.97Å; L603-L647 HydrophobicContact CD2-CD1 4.09Å; L603-F649 HydrophobicContact CD2-CE2 4.02Å; L603-F649 HydrophobicContact CD2-CZ 4.48Å
604	D	91.3	Very high	88.2	Confident	50 Å²	50	53.9 Å²	53.9	27%	0.267	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	102.8	177.2	-167.6	-8.8	0	0	0	111.6	F568 L602 T606 P607 K634	F568-D604 WeakPolarHBondContact CE1-O 3.44Å; L602-D604 PolarHBondContact O-N 3.14Å; D604-T606 WeakPolarHBondContact OD1-CB 3.4Å; D604-T606 PolarHBondContact OD1-N 3.34Å; D604-T606 PolarHBondContact OD1-OG1 3.28Å; D604-P607 WeakPolarHBondContact O-CD 3.47Å; D604-K634 HydrophobicContact CB-CG 4.39Å; D604-K634 WeakPolarHBondContact OD2-CE 3.41Å; D604-K634 IonicContact OD2-NZ 3.87Å
605	L	92.8	Very high	88.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.			trans	-88.4	-6.2	179.6	-55.2	179.9	0	0	0	113.5	F568 I590 I592 L603 P607 F608 C609 V612 S633 I635 F649	F568-L605 HydrophobicContact CE1-CD2 3.85Å; F568-L605 HydrophobicContact CZ-CD2 3.71Å; I590-L605 HydrophobicContact CD1-CD2 4.31Å; I590-L605 HydrophobicContact CG2-CD2 4.37Å; I592-L605 HydrophobicContact CD1-CD2 3.74Å; L603-L605 HydrophobicContact CD1-CD2 4.12Å; L603-L605 HydrophobicContact CD2-CD1 4.4Å; L603-L605 HydrophobicContact CD2-CD2 3.94Å; L603-L605 HydrophobicContact CD2-CG 4.25Å; L603-L605 HydrophobicContact CG-CD2 3.8Å; L603-L605 HydrophobicContact CG-CG 4.18Å; L605-P607 VanDerWaalsContact C-N 3.29Å; L605-F608 PolarHBondContact O-N 3.1Å; L605-C609 PolarHBondContact O-N 3.25Å; L605-C609 VanDerWaalsContact O-N 3.1Å; L605-V612 HydrophobicContact CB-CG1 4.47Å; L605-V612 HydrophobicContact CD1-CG1 4.15Å; L605-V612 HydrophobicContact CD1-CG2 4.18Å; L605-S633 WeakPolarHBondContact CB-O 3.21Å; L605-S633 PolarHBondContact N-O 2.91Å; L605-I635 HydrophobicContact CD1-CD1 3.78Å; L605-F649 HydrophobicContact CD1-CB 4.38Å; L605-F649 HydrophobicContact CD1-CD1 4.31Å; L605-F649 HydrophobicContact CD1-CD2 3.62Å; L605-F649 HydrophobicContact CD1-CE2 3.92Å; L605-F649 HydrophobicContact CD1-CG 3.83Å; L605-F649 HydrophobicContact CD1-CZ 4.41Å
606	T	91.6	Very high	88.8	Confident	74 Å²	74	56.2 Å²	56.2	45%	0.454	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.3	-177.6	-43.9	0	0	0	0	113.7	D604 F608	D604-T606 WeakPolarHBondContact OD1-CB 3.4Å; D604-T606 PolarHBondContact OD1-N 3.34Å; D604-T606 PolarHBondContact OD1-OG1 3.28Å; T606-F608 PolarHBondContact O-N 2.97Å
607	P	91.8	Very high	89.3	Confident	99 Å²	99	51.3 Å²	51.3	64%	0.643	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.6	177.7	-24.1	35.8	0	0	0	114.5	D604 L605	D604-P607 WeakPolarHBondContact O-CD 3.47Å; L605-P607 VanDerWaalsContact C-N 3.29Å
608	F	91.2	Very high	89.8	Confident	64 Å²	64	53 Å²	53	28%	0.281	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-40.6	-174	-52.4	-70.9	0	0	0	112	I566 F568 M580 I590 L605 T606	I566-F608 HydrophobicContact CB-CD1 4.3Å; I566-F608 HydrophobicContact CB-CE1 3.65Å; I566-F608 HydrophobicContact CB-CZ 3.88Å; I566-F608 HydrophobicContact CD1-CD1 4.31Å; I566-F608 HydrophobicContact CD1-CD2 4.2Å; I566-F608 HydrophobicContact CD1-CE1 4.24Å; I566-F608 HydrophobicContact CD1-CE2 4.13Å; I566-F608 HydrophobicContact CD1-CG 4.3Å; I566-F608 HydrophobicContact CD1-CZ 4.15Å; I566-F608 HydrophobicContact CG1-CE1 4.5Å; I566-F608 HydrophobicContact CG1-CZ 4.44Å; I566-F608 HydrophobicContact CG2-CD1 3.9Å; I566-F608 HydrophobicContact CG2-CE1 3.64Å; I566-F608 HydrophobicContact CG2-CZ 4.37Å; F568-F608 HydrophobicContact CD1-CE2 4.05Å; F568-F608 HydrophobicContact CE1-CD2 4.12Å; F568-F608 AromaticContact CE1-CE2 3.45Å; F568-F608 HydrophobicContact CE1-CE2 3.45Å; F568-F608 VanDerWaalsContact CE1-CE2 3.45Å; F568-F608 HydrophobicContact CE1-CZ 4.4Å; F568-F608 HydrophobicContact CZ-CD2 4.36Å; F568-F608 AromaticContact CZ-CE2 3.83Å; F568-F608 HydrophobicContact CZ-CE2 3.83Å; M580-F608 HydrophobicContact CE-CB 4.44Å; M580-F608 HydrophobicContact SD-CB 4.26Å; M580-F608 HydrophobicContact SD-CD1 4.33Å; I590-F608 HydrophobicContact CD1-CB 3.79Å; L605-F608 PolarHBondContact O-N 3.1Å; T606-F608 PolarHBondContact O-N 2.97Å
609	C	90.2	Very high	90.1	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.068	26%	0.263	C	S	.	.			trans	-143.9	134.9	-173.4	-59.7	0	0	0	0	112	I590 L605 S611 V612 C651	I590-C609 HydrophobicContact CD1-CB 4.37Å; L605-C609 PolarHBondContact O-N 3.25Å; L605-C609 VanDerWaalsContact O-N 3.1Å; C609-S611 VanDerWaalsContact C-N 3.34Å; C609-S611 PolarHBondContact O-N 2.68Å; C609-V612 HydrophobicContact CB-CG1 3.82Å; C609-C651 HydrophobicContact CB-CB 3.62Å; C609-C651 WeakPolarHBondContact CB-SG 3.5Å; C609-C651 WeakPolarHBondContact SG-CB 3.48Å; C609-C651 CovalentContact SG-SG 2Å; C609-C651 PolarHBondContact SG-SG 3.35Å
610	S	87.8	Confident	90	Very high	109 Å²	109	44.8 Å²	44.8	76%	0.762	25%	0.252	S	S	*	.	S	Bend	trans	-65.8	-36.6	180	39.8	0	0	0	0	112.8
611	S	90.8	Very high	89.7	Confident	46 Å²	46	41.6 Å²	41.6	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-145	155	171.9	75.6	0	0	0	0	109.5	C609 N652	C609-S611 VanDerWaalsContact C-N 3.34Å; C609-S611 PolarHBondContact O-N 2.68Å; S611-N652 PolarHBondContact O-N 2.9Å; S611-N652 WeakPolarHBondContact OG-CB 3.41Å; S611-N652 PolarHBondContact OG-ND2 3.3Å
612	V	93.3	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.4	-176.4	-69.4	0	0	0	0	111.4	L605 C609 L630 F649 E650	L605-V612 HydrophobicContact CB-CG1 4.47Å; L605-V612 HydrophobicContact CD1-CG1 4.15Å; L605-V612 HydrophobicContact CD1-CG2 4.18Å; C609-V612 HydrophobicContact CB-CG1 3.82Å; V612-L630 HydrophobicContact CG2-CB 4.3Å; V612-L630 HydrophobicContact CG2-CD1 4.04Å; V612-L630 HydrophobicContact CG2-CG 4.49Å; V612-L630 PolarHBondContact O-N 3.28Å; V612-F649 HydrophobicContact CB-CB 4.2Å; V612-F649 HydrophobicContact CG1-CB 4.36Å; V612-E650 CarbonylContact C-O 3.33Å; V612-E650 VanDerWaalsContact CA-O 3.31Å; V612-E650 WeakPolarHBondContact CA-O 3.37Å
613	T	94.1	Very high	88.7	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.1	170.5	-59	0	0	0	0	108.1	R615 F649 E650 N652	T613-R615 PolarHBondContact O-N 2.9Å; T613-F649 CarbonylContact O-C 3.5Å; T613-F649 WeakPolarHBondContact O-CA 3.37Å; T613-E650 PolarHBondContact N-O 3.23Å; T613-E650 PolarHBondContact O-N 3.18Å; T613-N652 PolarHBondContact OG1-ND2 2.9Å; T613-N652 PolarHBondContact OG1-OD1 3.47Å
614	S	93	Very high	88.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.5	172.8	171.5	0	0	0	0	109.6	I617 S625 T626 D627	S614-I617 WeakPolarHBondContact OG-CD1 3.49Å; S614-I617 VanDerWaalsContact OG-CG1 3.32Å; S614-I617 WeakPolarHBondContact OG-CG1 3.39Å; S614-S625 VanDerWaalsContact CB-O 3.3Å; S614-S625 WeakPolarHBondContact CB-O 3.43Å; S614-T626 CarbonylContact O-C 3.55Å; S614-D627 PolarHBondContact O-N 2.81Å
615	R	93.6	Very high	87.9	Confident	73 Å²	73	49.2 Å²	49.2	28%	0.275	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-29.3	178.1	-69.7	-61	-169.7	-172.4	-1	112.9	L552 F589 T613 D627 V648 E650	L552-R615 HydrophobicContact CD1-CB 4.06Å; F589-R615 HydrophobicContact CE1-CG 4.08Å; T613-R615 PolarHBondContact O-N 2.9Å; R615-D627 WeakPolarHBondContact CD-OD1 3.48Å; R615-D627 IonicContact CZ-OD1 2.82Å; R615-D627 IonicContact NH1-OD1 3.63Å; R615-D627 PolarHBondContact NH1-OD1 3.42Å; R615-V648 PolarHBondContact N-O 3.32Å; R615-E650 HydrophobicContact CG-CB 3.74Å; R615-E650 IonicContact CZ-OE2 3.19Å; R615-E650 IonicContact NE-OE2 3.39Å; R615-E650 PolarHBondContact NE-OE2 3.05Å; R615-E650 IonicContact NH2-OE2 3.61Å; R615-E650 PolarHBondContact NH2-OE2 2.67Å
616	F	92.9	Very high	87.5	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	132.6	176.6	-176.7	-93.1	0	0	0	110.1	L545 K548 L549 L552 Y618 I646 L647 V648	L545-F616 HydrophobicContact CB-CZ 4.49Å; L545-F616 HydrophobicContact CD1-CZ 3.95Å; L545-F616 HydrophobicContact CG-CZ 3.88Å; K548-F616 HydrophobicContact CB-CD2 3.91Å; K548-F616 HydrophobicContact CB-CE2 3.64Å; K548-F616 HydrophobicContact CD-CD2 4.38Å; K548-F616 HydrophobicContact CD-CE2 4.04Å; L549-F616 HydrophobicContact CD2-CD1 4.01Å; L549-F616 HydrophobicContact CD2-CD2 4.05Å; L549-F616 HydrophobicContact CD2-CE1 3.89Å; L549-F616 HydrophobicContact CD2-CE2 3.95Å; L549-F616 HydrophobicContact CD2-CG 4.08Å; L549-F616 HydrophobicContact CD2-CZ 3.87Å; L549-F616 HydrophobicContact CG-CE1 4.46Å; L549-F616 HydrophobicContact CG-CE2 4.07Å; L549-F616 HydrophobicContact CG-CZ 4Å; L552-F616 HydrophobicContact CD2-CB 4.11Å; F616-Y618 VanDerWaalsContact CE1-CB 3.45Å; F616-Y618 HydrophobicContact CZ-CG 4.35Å; F616-I646 HydrophobicContact CD1-CB 4.49Å; F616-I646 HydrophobicContact CD1-CG2 3.92Å; F616-I646 HydrophobicContact CE1-CB 3.99Å; F616-I646 HydrophobicContact CE1-CG2 3.66Å; F616-L647 CarbonylContact O-C 3.55Å; F616-L647 WeakPolarHBondContact O-CA 3.44Å; F616-V648 HydrophobicContact CB-CB 3.88Å; F616-V648 HydrophobicContact CB-CG2 3.96Å; F616-V648 HydrophobicContact CD1-CG2 4.26Å; F616-V648 PolarHBondContact N-O 2.98Å; F616-V648 VanDerWaalsContact N-O 3.1Å; F616-V648 PolarHBondContact O-N 3.17Å
617	I	90.3	Very high	87.2	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.9	175.8	-63.8	179.4	0	0	0	107.4	S614 P619 H621 L624 I646 L647	S614-I617 WeakPolarHBondContact OG-CD1 3.49Å; S614-I617 VanDerWaalsContact OG-CG1 3.32Å; S614-I617 WeakPolarHBondContact OG-CG1 3.39Å; I617-P619 WeakPolarHBondContact CG2-O 3.24Å; I617-H621 HydrophobicContact CG2-CB 3.83Å; I617-L624 HydrophobicContact CD1-CB 3.19Å; I617-L624 HydrophobicContact CD1-CD1 3.67Å; I617-L624 HydrophobicContact CD1-CG 4.02Å; I617-I646 WeakPolarHBondContact CA-O 3.47Å; I617-L647 HydrophobicContact CB-CD2 4.32Å; I617-L647 HydrophobicContact CG1-CD2 4.11Å; I617-L647 HydrophobicContact CG2-CD2 3.84Å
618	Y	89.3	Confident	86.9	Confident	40 Å²	40	51.7 Å²	51.7	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.8	176.3	-175.7	-89.2	0	0	0	110.8	I442 Q540 L545 F616 Y645 I646	I442-Y618 HydrophobicContact CD1-CD1 4.45Å; I442-Y618 HydrophobicContact CD1-CE1 3.45Å; I442-Y618 VanDerWaalsContact CD1-CE1 3.45Å; I442-Y618 VanDerWaalsContact CD1-CZ 3.49Å; I442-Y618 VanDerWaalsContact CD1-OH 3.23Å; I442-Y618 WeakPolarHBondContact CD1-OH 3.47Å; I442-Y618 HydrophobicContact CG1-CE1 4.16Å; Q540-Y618 VanDerWaalsContact O-CE2 3.3Å; Q540-Y618 WeakPolarHBondContact O-CE2 3.39Å; Q540-Y618 PolarHBondContact O-OH 3.42Å; Q540-Y618 VanDerWaalsContact O-OH 3.05Å; L545-Y618 HydrophobicContact CB-CD2 4.18Å; L545-Y618 HydrophobicContact CB-CE2 4.1Å; L545-Y618 HydrophobicContact CD1-CD1 3.63Å; L545-Y618 HydrophobicContact CD1-CD2 3.67Å; L545-Y618 HydrophobicContact CD1-CE1 3.87Å; L545-Y618 HydrophobicContact CD1-CE2 3.88Å; L545-Y618 HydrophobicContact CD1-CG 3.53Å; L545-Y618 HydrophobicContact CG-CD2 4.47Å; F616-Y618 VanDerWaalsContact CE1-CB 3.45Å; F616-Y618 HydrophobicContact CZ-CG 4.35Å; Y618-Y645 CarbonylContact O-C 3.56Å; Y618-Y645 VanDerWaalsContact O-CA 3.26Å; Y618-Y645 WeakPolarHBondContact O-CA 3.46Å; Y618-I646 HydrophobicContact CD1-CD1 4.07Å; Y618-I646 PolarHBondContact N-O 2.95Å; Y618-I646 PolarHBondContact O-N 3.39Å
619	P	85.3	Confident	86.7	Confident	38 Å²	38	53.1 Å²	53.1	25%	0.247	31%	0.311	C	S	.	.	S	Bend	cis	-61.1	161.8	-15.1	29.7	-36	0	0	0	110.5	I617 H621 N644 Y645	I617-P619 WeakPolarHBondContact CG2-O 3.24Å; P619-H621 PolarHBondContact O-N 3.22Å; P619-N644 WeakPolarHBondContact CD-O 3.32Å; P619-Y645 HydrophobicContact CG-CD1 4.36Å; P619-Y645 HydrophobicContact CG-CE1 4.12Å
620	S	81.3	Confident	86.6	Confident	69 Å²	69	54.1 Å²	54.1	48%	0.483	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-57.1	137.1	-179.7	-73.5	0	0	0	0	112.7	Q540	Q540-S620 PolarHBondContact NE2-OG 2.83Å
621	H	79.8	Confident	86.6	Confident	19 Å²	19	55 Å²	55	9%	0.088	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-102.5	130.6	-178.3	-175.4	-84.6	0	0	0	110.1	I617 P619 H623 L624 P638	I617-H621 HydrophobicContact CG2-CB 3.83Å; P619-H621 PolarHBondContact O-N 3.22Å; H621-H623 AromaticContact CE1-CD2 3.97Å; H621-H623 PolarHBondContact ND1-N 3.28Å; H621-H623 VanDerWaalsContact ND1-N 3.18Å; H621-H623 PolarHBondContact O-N 2.76Å; H621-L624 HydrophobicContact CB-CB 4.09Å; H621-L624 HydrophobicContact CB-CD1 4.07Å; H621-L624 HydrophobicContact CB-CG 4.33Å; H621-L624 WeakPolarHBondContact ND1-CG 3.12Å; H621-L624 PolarHBondContact ND1-N 3.25Å; H621-L624 PolarHBondContact O-N 3.47Å; H621-P638 WeakPolarHBondContact NE2-CD 3.08Å
622	P	76.4	Confident	86.4	Confident	115 Å²	115	56.1 Å²	56.1	75%	0.747	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.3	-173.6	-26.5	33.5	0	0	0	115
623	H	76.5	Confident	86.1	Confident	164 Å²	164	56.7 Å²	56.7	76%	0.759	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	1.7	-174.3	-53.6	-63.5	0	0	0	114.5	H621	H621-H623 AromaticContact CE1-CD2 3.97Å; H621-H623 PolarHBondContact ND1-N 3.28Å; H621-H623 VanDerWaalsContact ND1-N 3.18Å; H621-H623 PolarHBondContact O-N 2.76Å
624	L	82.3	Confident	85.9	Confident	26 Å²	26	61.5 Å²	61.5	14%	0.136	35%	0.351	C	S	.	.			trans	-118.6	105.6	179.3	-62.6	167	0	0	0	109.2	I617 H621 L630 I635	I617-L624 HydrophobicContact CD1-CB 3.19Å; I617-L624 HydrophobicContact CD1-CD1 3.67Å; I617-L624 HydrophobicContact CD1-CG 4.02Å; H621-L624 HydrophobicContact CB-CB 4.09Å; H621-L624 HydrophobicContact CB-CD1 4.07Å; H621-L624 HydrophobicContact CB-CG 4.33Å; H621-L624 WeakPolarHBondContact ND1-CG 3.12Å; H621-L624 PolarHBondContact ND1-N 3.25Å; H621-L624 PolarHBondContact O-N 3.47Å; L624-L630 HydrophobicContact CD2-CD1 4.08Å; L624-L630 HydrophobicContact CD2-CD2 3.82Å; L624-I635 HydrophobicContact CD1-CG2 3.66Å; L624-I635 HydrophobicContact CD2-CG2 4.07Å; L624-I635 HydrophobicContact CG-CG2 4.44Å
625	S	81.1	Confident	85.7	Confident	67 Å²	67	61.8 Å²	61.8	47%	0.469	35%	0.353	S	S	.	.			trans	-77.6	143.5	169.2	41.7	0	0	0	0	110.7	S614 T628	S614-S625 VanDerWaalsContact CB-O 3.3Å; S614-S625 WeakPolarHBondContact CB-O 3.43Å; S625-T628 PolarHBondContact O-OG1 3Å; S625-T628 PolarHBondContact OG-OG1 3.38Å
626	T	84.6	Confident	85.4	Confident	69 Å²	69	64.3 Å²	64.3	42%	0.423	36%	0.363	S	S	.	.	S	Bend	trans	-79.1	152.3	168.5	52.9	0	0	0	0	110.2	S614 T628	S614-T626 CarbonylContact O-C 3.55Å; T626-T628 PolarHBondContact O-N 3.49Å
627	D	86.1	Confident	85.1	Confident	98 Å²	98	64 Å²	64	52%	0.524	36%	0.361	S	S	.	.	S	Bend	trans	66.2	12.2	176.1	-54.2	-55.9	0	0	0	116.4	S614 R615	S614-D627 PolarHBondContact O-N 2.81Å; R615-D627 WeakPolarHBondContact CD-OD1 3.48Å; R615-D627 IonicContact CZ-OD1 2.82Å; R615-D627 IonicContact NH1-OD1 3.63Å; R615-D627 PolarHBondContact NH1-OD1 3.42Å
628	T	84.7	Confident	84.8	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.35	37%	0.369	S	S	.	.	S	Bend	trans	-114.6	131.6	172	55.8	0	0	0	0	110.6	S625 T626 L630	S625-T628 PolarHBondContact O-OG1 3Å; S625-T628 PolarHBondContact OG-OG1 3.38Å; T626-T628 PolarHBondContact O-N 3.49Å; T628-L630 PolarHBondContact O-N 2.74Å
629	P	88	Confident	84.4	Confident	94 Å²	94	68.2 Å²	68.2	61%	0.61	38%	0.384	S	S	*	.	B	Isolated β-bridge	trans	-55.6	133.6	171.3	-25.3	34.7	0	0	0	111.1
630	L	88.5	Confident	83.8	Confident	31 Å²	31	69.1 Å²	69.1	16%	0.162	39%	0.388	C	S	.	.			trans	-79.4	142.1	177.7	-60.4	-179.7	0	0	0	110	V612 L624 T628 T632 I635 F649	V612-L630 HydrophobicContact CG2-CB 4.3Å; V612-L630 HydrophobicContact CG2-CD1 4.04Å; V612-L630 HydrophobicContact CG2-CG 4.49Å; V612-L630 PolarHBondContact O-N 3.28Å; L624-L630 HydrophobicContact CD2-CD1 4.08Å; L624-L630 HydrophobicContact CD2-CD2 3.82Å; T628-L630 PolarHBondContact O-N 2.74Å; L630-T632 PolarHBondContact O-N 3.19Å; L630-I635 HydrophobicContact CD1-CD1 3.53Å; L630-I635 HydrophobicContact CD1-CG1 4.06Å; L630-F649 HydrophobicContact CD1-CD1 4.21Å; L630-F649 HydrophobicContact CD1-CE1 3.89Å
631	S	86	Confident	83	Confident	129 Å²	129	75.8 Å²	75.8	90%	0.902	41%	0.412	S	S	*	.	S	Bend	trans	-68.3	-17	176.8	56.7	0	0	0	0	113.4
632	T	87.2	Confident	82.2	Confident	68 Å²	68	83.4 Å²	83.4	42%	0.417	45%	0.445	S	S	.	.			trans	-146.6	142	-179	172.1	0	0	0	0	110.3	L630 K634	L630-T632 PolarHBondContact O-N 3.19Å; T632-K634 WeakPolarHBondContact CG2-O 3.36Å; T632-K634 PolarHBondContact O-N 3.4Å; T632-K634 PolarHBondContact OG1-N 3.29Å; T632-K634 PolarHBondContact OG1-O 2.96Å
633	S	88.3	Confident	81.6	Confident	12 Å²	12	78.3 Å²	78.3	8%	0.084	41%	0.412	C	S	.	.	S	Bend	trans	-80.5	0.1	170.3	-64.2	0	0	0	0	112.9	L605	L605-S633 WeakPolarHBondContact CB-O 3.21Å; L605-S633 PolarHBondContact N-O 2.91Å
634	K	89.6	Confident	81.9	Confident	106 Å²	106	73 Å²	73	46%	0.461	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.9	173.5	-60.2	-173.4	-178.4	-164.8	0	109.9	L602 L603 D604 T632	L602-K634 HydrophobicContact CD1-CB 4.36Å; L603-K634 CarbonylContact O-C 3.49Å; L603-K634 WeakPolarHBondContact O-CA 3.11Å; D604-K634 HydrophobicContact CB-CG 4.39Å; D604-K634 WeakPolarHBondContact OD2-CE 3.41Å; D604-K634 IonicContact OD2-NZ 3.87Å; T632-K634 WeakPolarHBondContact CG2-O 3.36Å; T632-K634 PolarHBondContact O-N 3.4Å; T632-K634 PolarHBondContact OG1-N 3.29Å; T632-K634 PolarHBondContact OG1-O 2.96Å
635	I	88.1	Confident	82.3	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.036	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.2	-169.9	-56.3	174.3	0	0	0	109.2	L603 L605 L624 L630 I637 F649	L603-I635 HydrophobicContact CB-CB 4.33Å; L603-I635 WeakPolarHBondContact CB-O 3.49Å; L603-I635 HydrophobicContact CD2-CB 4.47Å; L603-I635 HydrophobicContact CD2-CD1 4.44Å; L603-I635 PolarHBondContact N-O 3.37Å; L603-I635 PolarHBondContact O-N 2.97Å; L605-I635 HydrophobicContact CD1-CD1 3.78Å; L624-I635 HydrophobicContact CD1-CG2 3.66Å; L624-I635 HydrophobicContact CD2-CG2 4.07Å; L624-I635 HydrophobicContact CG-CG2 4.44Å; L630-I635 HydrophobicContact CD1-CD1 3.53Å; L630-I635 HydrophobicContact CD1-CG1 4.06Å; I635-I637 HydrophobicContact CG2-CD1 3.79Å; I635-F649 HydrophobicContact CD1-CD1 4.12Å; I635-F649 HydrophobicContact CD1-CE1 3.34Å; I635-F649 HydrophobicContact CD1-CE2 4.04Å; I635-F649 HydrophobicContact CD1-CZ 3.28Å
636	Y	88.4	Confident	82.8	Confident	126 Å²	126	69 Å²	69	49%	0.494	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	174.3	-179.7	-98.6	0	0	0	110.2	N600 P638	N600-Y636 HydrophobicContact CB-CE2 3.79Å; N600-Y636 WeakPolarHBondContact CB-OH 3.5Å; N600-Y636 PolarHBondContact ND2-OH 3.45Å; N600-Y636 PolarHBondContact OD1-OH 3.3Å; Y636-P638 HydrophobicContact CE1-CB 4.06Å
637	I	86.6	Confident	83.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112	175.7	-54.1	-60.8	0	0	0	108.5	L594 L597 N600 Y601 I635 Y645 L647	L594-I637 HydrophobicContact CD1-CB 4.32Å; L594-I637 HydrophobicContact CD1-CG1 4.02Å; L594-I637 HydrophobicContact CD1-CG2 3.87Å; L597-I637 HydrophobicContact CD1-CG2 3.76Å; N600-I637 WeakPolarHBondContact CA-O 3.46Å; Y601-I637 PolarHBondContact N-O 2.87Å; Y601-I637 PolarHBondContact O-N 2.99Å; I635-I637 HydrophobicContact CG2-CD1 3.79Å; I637-Y645 HydrophobicContact CG2-CD2 3.77Å; I637-Y645 HydrophobicContact CG2-CE2 3.72Å; I637-Y645 HydrophobicContact CG2-CG 4.2Å; I637-L647 HydrophobicContact CD1-CD1 3.72Å; I637-L647 HydrophobicContact CG1-CD1 4.29Å
638	P	82.4	Confident	83.7	Confident	32 Å²	32	61 Å²	61	21%	0.208	32%	0.317	C	S	.	.			trans	-71.7	145.8	177.6	29.7	-33.4	0	0	0	110.8	N600 H621 Y636 Y645	N600-P638 WeakPolarHBondContact OD1-CA 3Å; H621-P638 WeakPolarHBondContact NE2-CD 3.08Å; Y636-P638 HydrophobicContact CE1-CB 4.06Å; P638-Y645 PolarHBondContact O-OH 2.89Å
639	K	81.6	Confident	84.3	Confident	106 Å²	106	58.3 Å²	58.3	46%	0.461	30%	0.301	S	S	.	.			trans	-65	131.9	162.3	-178.4	-172	-174	169.2	0	109	M598 N600	M598-K639 VanDerWaalsContact O-CD 3.26Å; M598-K639 WeakPolarHBondContact O-CD 3.43Å; M598-K639 VanDerWaalsContact O-CE 3.23Å; M598-K639 WeakPolarHBondContact O-CE 3.43Å; M598-K639 PolarHBondContact O-NZ 2.83Å; N600-K639 PolarHBondContact OD1-N 2.94Å
640	T	72.5	Confident	84.7	Confident	56 Å²	56	54.6 Å²	54.6	34%	0.344	28%	0.275	S	S	.	.			trans	-128.2	168.2	173.8	57.3	0	0	0	0	111.1	K642 S643 Y645	T640-K642 PolarHBondContact O-N 2.96Å; T640-K642 PolarHBondContact OG1-O 3.11Å; T640-S643 PolarHBondContact N-OG 3.3Å; T640-S643 PolarHBondContact O-N 3.26Å; T640-S643 PolarHBondContact O-OG 3.47Å; T640-Y645 WeakPolarHBondContact CG2-OH 3.3Å; T640-Y645 PolarHBondContact OG1-OH 3.22Å
641	E	65.3	Low	84.9	Confident	210 Å²	210	53.8 Å²	53.8	98%	0.981	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25	176.3	-69.8	-177.4	167.8	0	0	112.7
642	K	62.4	Low	84.9	Confident	178 Å²	178	53 Å²	53	77%	0.774	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	63.1	174.6	-63.8	-173.9	178.8	-174.3	0	109.8	T640 N644	T640-K642 PolarHBondContact O-N 2.96Å; T640-K642 PolarHBondContact OG1-O 3.11Å; K642-N644 PolarHBondContact O-N 3.01Å
643	S	63.2	Low	84.8	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.063	25%	0.249	C	C	.	.			trans	-67.1	34.2	-171.4	-78.6	0	0	0	0	116	D596 L597 T640	D596-S643 PolarHBondContact N-O 3.32Å; L597-S643 PolarHBondContact N-O 3.43Å; L597-S643 PolarHBondContact O-OG 3.4Å; T640-S643 PolarHBondContact N-OG 3.3Å; T640-S643 PolarHBondContact O-N 3.26Å; T640-S643 PolarHBondContact O-OG 3.47Å
644	N	83.6	Confident	84.6	Confident	51 Å²	51	54.4 Å²	54.4	27%	0.273	26%	0.258	S	S	.	.			trans	-103.8	118.1	173.3	-66.4	-26.9	0	0	0	109.2	L594 K595 D596 P619 K642	L594-N644 CarbonylContact O-C 3.48Å; L594-N644 WeakPolarHBondContact O-CA 3.27Å; K595-N644 VanDerWaalsContact CA-OD1 3.28Å; K595-N644 WeakPolarHBondContact CA-OD1 3.36Å; D596-N644 PolarHBondContact N-OD1 3.43Å; P619-N644 WeakPolarHBondContact CD-O 3.32Å; K642-N644 PolarHBondContact O-N 3.01Å
645	Y	89.4	Confident	84.4	Confident	8 Å²	8	51.5 Å²	51.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.3	178.5	-67.9	-91.8	0	0	0	111.2	I593 L594 L597 Y618 P619 I637 P638 T640	I593-Y645 CarbonylContact C-O 3.34Å; I593-Y645 WeakPolarHBondContact CA-O 3.32Å; L594-Y645 PolarHBondContact N-O 3.37Å; L594-Y645 PolarHBondContact O-N 2.88Å; L597-Y645 HydrophobicContact CD1-CD2 3.89Å; L597-Y645 HydrophobicContact CD1-CE2 4.12Å; Y618-Y645 CarbonylContact O-C 3.56Å; Y618-Y645 VanDerWaalsContact O-CA 3.26Å; Y618-Y645 WeakPolarHBondContact O-CA 3.46Å; P619-Y645 HydrophobicContact CG-CD1 4.36Å; P619-Y645 HydrophobicContact CG-CE1 4.12Å; I637-Y645 HydrophobicContact CG2-CD2 3.77Å; I637-Y645 HydrophobicContact CG2-CE2 3.72Å; I637-Y645 HydrophobicContact CG2-CG 4.2Å; P638-Y645 PolarHBondContact O-OH 2.89Å; T640-Y645 WeakPolarHBondContact CG2-OH 3.3Å; T640-Y645 PolarHBondContact OG1-OH 3.22Å
646	I	93.2	Very high	84.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.8	169.2	-56.6	158.2	0	0	0	106.6	A446 L450 L545 I593 F616 I617 Y618	A446-I646 HydrophobicContact CB-CD1 3.48Å; A446-I646 VanDerWaalsContact CB-CD1 3.48Å; A446-I646 HydrophobicContact CB-CG1 4.28Å; A446-I646 HydrophobicContact CB-CG2 4.33Å; L450-I646 HydrophobicContact CD1-CG2 3.89Å; L545-I646 HydrophobicContact CD1-CD1 3.89Å; I593-I646 HydrophobicContact CD1-CB 4.12Å; I593-I646 HydrophobicContact CD1-CG1 3.81Å; I593-I646 HydrophobicContact CD1-CG2 3.74Å; F616-I646 HydrophobicContact CD1-CB 4.49Å; F616-I646 HydrophobicContact CD1-CG2 3.92Å; F616-I646 HydrophobicContact CE1-CB 3.99Å; F616-I646 HydrophobicContact CE1-CG2 3.66Å; I617-I646 WeakPolarHBondContact CA-O 3.47Å; Y618-I646 HydrophobicContact CD1-CD1 4.07Å; Y618-I646 PolarHBondContact N-O 2.95Å; Y618-I646 PolarHBondContact O-N 3.39Å
647	L	93.7	Very high	83.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.1	-177.2	-49.2	173.7	0	0	0	109.1	V591 I592 L594 L603 F616 I617 I637 F649	V591-L647 WeakPolarHBondContact CA-O 3.36Å; I592-L647 HydrophobicContact CB-CB 4.32Å; I592-L647 PolarHBondContact N-O 3.39Å; I592-L647 PolarHBondContact O-N 3.19Å; L594-L647 HydrophobicContact CD1-CD1 4.03Å; L603-L647 HydrophobicContact CD2-CD1 4.09Å; F616-L647 CarbonylContact O-C 3.55Å; F616-L647 WeakPolarHBondContact O-CA 3.44Å; I617-L647 HydrophobicContact CB-CD2 4.32Å; I617-L647 HydrophobicContact CG1-CD2 4.11Å; I617-L647 HydrophobicContact CG2-CD2 3.84Å; I637-L647 HydrophobicContact CD1-CD1 3.72Å; I637-L647 HydrophobicContact CG1-CD1 4.29Å; L647-F649 HydrophobicContact CB-CD2 4.41Å; L647-F649 HydrophobicContact CB-CE2 3.55Å; L647-F649 HydrophobicContact CB-CZ 3.94Å; L647-F649 HydrophobicContact CD1-CE2 4.22Å; L647-F649 HydrophobicContact CD1-CZ 4.31Å; L647-F649 HydrophobicContact CG-CE2 4.47Å
648	V	96	Very high	83.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.8	172.2	-169	0	0	0	0	110	L450 L552 F589 I590 V591 R615 F616	L450-V648 HydrophobicContact CD1-CG2 4.41Å; L450-V648 HydrophobicContact CD2-CG2 3.84Å; L552-V648 HydrophobicContact CD2-CB 4.1Å; L552-V648 HydrophobicContact CD2-CG1 4Å; L552-V648 HydrophobicContact CD2-CG2 3.99Å; F589-V648 HydrophobicContact CB-CG1 4.28Å; F589-V648 HydrophobicContact CD1-CG1 4Å; I590-V648 CarbonylContact O-C 3.52Å; I590-V648 VanDerWaalsContact O-CA 3.3Å; I590-V648 WeakPolarHBondContact O-CA 3.42Å; V591-V648 HydrophobicContact CG1-CG2 4.4Å; V591-V648 HydrophobicContact CG2-CG1 4.08Å; V591-V648 HydrophobicContact CG2-CG2 4.21Å; R615-V648 PolarHBondContact N-O 3.32Å; F616-V648 HydrophobicContact CB-CB 3.88Å; F616-V648 HydrophobicContact CB-CG2 3.96Å; F616-V648 HydrophobicContact CD1-CG2 4.26Å; F616-V648 PolarHBondContact N-O 2.98Å; F616-V648 VanDerWaalsContact N-O 3.1Å; F616-V648 PolarHBondContact O-N 3.17Å
649	F	95.9	Very high	83.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.8	179	-57.5	-79.1	0	0	0	109.8	F589 I590 I592 L603 L605 V612 T613 L630 I635 L647	F589-F649 CarbonylContact C-O 3.55Å; F589-F649 WeakPolarHBondContact CA-O 3.47Å; I590-F649 HydrophobicContact CB-CB 4.45Å; I590-F649 PolarHBondContact N-O 3.41Å; I590-F649 PolarHBondContact O-N 3.15Å; I592-F649 HydrophobicContact CD1-CD2 4.36Å; I592-F649 HydrophobicContact CD1-CE2 4.21Å; L603-F649 HydrophobicContact CD2-CE2 4.02Å; L603-F649 HydrophobicContact CD2-CZ 4.48Å; L605-F649 HydrophobicContact CD1-CB 4.38Å; L605-F649 HydrophobicContact CD1-CD1 4.31Å; L605-F649 HydrophobicContact CD1-CD2 3.62Å; L605-F649 HydrophobicContact CD1-CE2 3.92Å; L605-F649 HydrophobicContact CD1-CG 3.83Å; L605-F649 HydrophobicContact CD1-CZ 4.41Å; V612-F649 HydrophobicContact CB-CB 4.2Å; V612-F649 HydrophobicContact CG1-CB 4.36Å; T613-F649 CarbonylContact O-C 3.5Å; T613-F649 WeakPolarHBondContact O-CA 3.37Å; L630-F649 HydrophobicContact CD1-CD1 4.21Å; L630-F649 HydrophobicContact CD1-CE1 3.89Å; I635-F649 HydrophobicContact CD1-CD1 4.12Å; I635-F649 HydrophobicContact CD1-CE1 3.34Å; I635-F649 HydrophobicContact CD1-CE2 4.04Å; I635-F649 HydrophobicContact CD1-CZ 3.28Å; L647-F649 HydrophobicContact CB-CD2 4.41Å; L647-F649 HydrophobicContact CB-CE2 3.55Å; L647-F649 HydrophobicContact CB-CZ 3.94Å; L647-F649 HydrophobicContact CD1-CE2 4.22Å; L647-F649 HydrophobicContact CD1-CZ 4.31Å; L647-F649 HydrophobicContact CG-CE2 4.47Å
650	E	96	Very high	83.9	Confident	16 Å²	16	50.5 Å²	50.5	8%	0.075	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134	165.7	-177.2	178.1	-166	0	0	109.2	S587 F589 V612 T613 R615	S587-E650 WeakPolarHBondContact CB-OE1 3.3Å; S587-E650 PolarHBondContact OG-OE1 3.42Å; F589-E650 HydrophobicContact CD1-CB 4.13Å; F589-E650 HydrophobicContact CE1-CB 3.88Å; F589-E650 HydrophobicContact CE1-CG 4.17Å; F589-E650 HydrophobicContact CE2-CG 4.46Å; F589-E650 HydrophobicContact CZ-CB 4.3Å; F589-E650 HydrophobicContact CZ-CG 4.07Å; V612-E650 CarbonylContact C-O 3.33Å; V612-E650 VanDerWaalsContact CA-O 3.31Å; V612-E650 WeakPolarHBondContact CA-O 3.37Å; T613-E650 PolarHBondContact N-O 3.23Å; T613-E650 PolarHBondContact O-N 3.18Å; R615-E650 HydrophobicContact CG-CB 3.74Å; R615-E650 IonicContact CZ-OE2 3.19Å; R615-E650 IonicContact NE-OE2 3.39Å; R615-E650 PolarHBondContact NE-OE2 3.05Å; R615-E650 IonicContact NH2-OE2 3.61Å; R615-E650 PolarHBondContact NH2-OE2 2.67Å
651	C	93.9	Very high	84.9	Confident	14 Å²	14	50 Å²	50	10%	0.095	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.7	173.7	-62.4	0	0	0	0	109.8	S588 C609	S588-C651 PolarHBondContact O-N 3.13Å; C609-C651 HydrophobicContact CB-CB 3.62Å; C609-C651 WeakPolarHBondContact CB-SG 3.5Å; C609-C651 WeakPolarHBondContact SG-CB 3.48Å; C609-C651 CovalentContact SG-SG 2Å; C609-C651 PolarHBondContact SG-SG 3.35Å
652	N	86.3	Confident	86.7	Confident	112 Å²	112	35.5 Å²	35.5	60%	0.599	18%	0.175	S	C	*	.			trans	-95.7	0	178.3	-36.7	-64.4	0	0	0	112.2	S611 T613	S611-N652 PolarHBondContact O-N 2.9Å; S611-N652 WeakPolarHBondContact OG-CB 3.41Å; S611-N652 PolarHBondContact OG-ND2 3.3Å; T613-N652 PolarHBondContact OG1-ND2 2.9Å; T613-N652 PolarHBondContact OG1-OD1 3.47Å

Retrieved 652 of 652 residues in 331.8 ms (Link to these results)

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