A0A5K4FA31_SCHMA Loading...

Bifunctional lysine-specific demethylase and histidyl-hydroxylase

Oxygenase that can act as both a histone lysine demethylase and a ribosomal histidine hydroxylase.

AlphaFold DB , UniProt , Accession A0A5K4FA31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 747 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	43.2	Very low	163 Å²	163	91.2 Å²	91.2	80%	0.803	46%	0.461	S	S	*	.				0	134.4	0	-74.9	-174.5	-86.8	0	0	109.2	E5	M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CB-CB 4.41Å; M1-E5 VanDerWaalsContact CB-OE2 3.31Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å
2	S	44.6	Very low	42.9	Very low	53 Å²	53	91.2 Å²	91.2	37%	0.371	46%	0.463	S	S	.	.			trans	-77.3	164.6	175	76.3	0	0	0	0	111.4	T4 E5 K6	S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 VanDerWaalsContact OG-CB 3.28Å; S2-T4 WeakPolarHBondContact OG-CB 3.38Å; S2-T4 PolarHBondContact OG-N 2.97Å; S2-T4 PolarHBondContact OG-OG1 2.76Å; S2-E5 PolarHBondContact N-OE2 3.14Å; S2-E5 PolarHBondContact O-N 2.96Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.05Å; S2-K6 PolarHBondContact O-N 2.79Å
3	L	42.3	Very low	42.9	Very low	71 Å²	71	92.1 Å²	92.1	37%	0.372	48%	0.476	S	S	.	.	H	α-helix	trans	-56.8	-33.7	171.1	-163	77.6	0	0	0	111.3	K6 L7 Y264	L3-K6 PolarHBondContact O-N 3.31Å; L3-L7 HydrophobicContact CD2-CD1 4.37Å; L3-L7 HydrophobicContact CG-CD1 4.21Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 PolarHBondContact O-N 2.74Å; L3-Y264 HydrophobicContact CD1-CE1 4.45Å; L3-Y264 HydrophobicContact CD1-CE2 3.85Å; L3-Y264 WeakPolarHBondContact CD1-OH 3.1Å; L3-Y264 WeakPolarHBondContact CD2-O 3.3Å
4	T	41.2	Very low	42.4	Very low	90 Å²	90	95.5 Å²	95.5	55%	0.552	49%	0.494	S	S	*	.	H	α-helix	trans	-59.8	-45.6	175.5	-19.1	0	0	0	0	112	S2 L7 I8	S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 VanDerWaalsContact OG-CB 3.28Å; S2-T4 WeakPolarHBondContact OG-CB 3.38Å; S2-T4 PolarHBondContact OG-N 2.97Å; S2-T4 PolarHBondContact OG-OG1 2.76Å; T4-L7 PolarHBondContact O-N 3.24Å; T4-I8 HydrophobicContact CG2-CD1 4.19Å; T4-I8 WeakPolarHBondContact O-CB 3.45Å; T4-I8 WeakPolarHBondContact O-CD1 3.32Å; T4-I8 WeakPolarHBondContact O-CG1 3.34Å; T4-I8 PolarHBondContact O-N 2.81Å
5	E	45.3	Very low	41.6	Very low	91 Å²	91	98.1 Å²	98.1	43%	0.425	51%	0.509	S	S	.	.	H	α-helix	trans	-67.7	-35.9	177.7	-67.4	174.6	122.6	0	0	112.4	M1 S2 R9	M1-E5 VanDerWaalsContact C-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.26Å; M1-E5 HydrophobicContact CB-CB 4.41Å; M1-E5 VanDerWaalsContact CB-OE2 3.31Å; M1-E5 WeakPolarHBondContact CB-OE2 3.46Å; S2-E5 PolarHBondContact N-OE2 3.14Å; S2-E5 PolarHBondContact O-N 2.96Å; S2-E5 VanDerWaalsContact O-N 3.16Å; S2-E5 PolarHBondContact OG-N 3.05Å; E5-R9 WeakPolarHBondContact O-CG 3.19Å; E5-R9 PolarHBondContact O-N 3.36Å
6	K	46.3	Very low	40.8	Very low	84 Å²	84	95.6 Å²	95.6	37%	0.365	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-42.1	174.4	-71.6	-168.2	179.3	-175.3	0	111.5	S2 L3 S10 E163	S2-K6 PolarHBondContact O-N 2.79Å; L3-K6 PolarHBondContact O-N 3.31Å; K6-S10 PolarHBondContact O-N 3.14Å; K6-E163 IonicContact NZ-OE1 3.75Å; K6-E163 PolarHBondContact NZ-OE1 2.96Å
7	L	40.1	Very low	40	Very low	74 Å²	74	97.2 Å²	97.2	39%	0.387	53%	0.532	S	S	.	.	H	α-helix	trans	-69.4	-45.2	178.1	-79.6	165.3	0	0	0	112.3	L3 T4 R9 S10 L11	L3-L7 HydrophobicContact CD2-CD1 4.37Å; L3-L7 HydrophobicContact CG-CD1 4.21Å; L3-L7 WeakPolarHBondContact O-CB 3.43Å; L3-L7 PolarHBondContact O-N 2.74Å; T4-L7 PolarHBondContact O-N 3.24Å; L7-R9 PolarHBondContact O-N 3.16Å; L7-S10 WeakPolarHBondContact O-CA 3.29Å; L7-S10 WeakPolarHBondContact O-CB 3.43Å; L7-S10 PolarHBondContact O-N 2.95Å; L7-S10 PolarHBondContact O-OG 2.83Å; L7-L11 WeakPolarHBondContact O-CD1 3.37Å; L7-L11 PolarHBondContact O-N 3.37Å; L7-L11 VanDerWaalsContact O-N 3.13Å
8	I	48.9	Very low	39.3	Very low	94 Å²	94	98.7 Å²	98.7	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-57.3	-49.1	177.9	-71.1	164.4	0	0	0	110.6	T4 S10 L11 D12	T4-I8 HydrophobicContact CG2-CD1 4.19Å; T4-I8 WeakPolarHBondContact O-CB 3.45Å; T4-I8 WeakPolarHBondContact O-CD1 3.32Å; T4-I8 WeakPolarHBondContact O-CG1 3.34Å; T4-I8 PolarHBondContact O-N 2.81Å; I8-S10 PolarHBondContact O-N 2.73Å; I8-S10 VanDerWaalsContact O-N 3.13Å; I8-L11 WeakPolarHBondContact O-CA 3.35Å; I8-L11 PolarHBondContact O-N 3.32Å; I8-D12 PolarHBondContact O-N 3.08Å
9	R	45.1	Very low	38.8	Very low	164 Å²	164	99.7 Å²	99.7	62%	0.619	56%	0.563	S	S	*	*	H	α-helix	trans	-60.8	-25.3	176.8	-72.5	-177.1	179.3	-160.4	0.7	114.1	E5 L7	E5-R9 WeakPolarHBondContact O-CG 3.19Å; E5-R9 PolarHBondContact O-N 3.36Å; L7-R9 PolarHBondContact O-N 3.16Å
10	S	41.9	Very low	38.1	Very low	38 Å²	38	101.2 Å²	101.2	27%	0.266	57%	0.574	S	S	.	*	H	α-helix	trans	-77.6	-28	173.9	80.3	0	0	0	0	113.2	K6 L7 I8 T13	K6-S10 PolarHBondContact O-N 3.14Å; L7-S10 WeakPolarHBondContact O-CA 3.29Å; L7-S10 WeakPolarHBondContact O-CB 3.43Å; L7-S10 PolarHBondContact O-N 2.95Å; L7-S10 PolarHBondContact O-OG 2.83Å; I8-S10 PolarHBondContact O-N 2.73Å; I8-S10 VanDerWaalsContact O-N 3.13Å; S10-T13 PolarHBondContact O-OG1 2.97Å
11	L	40.4	Very low	37.6	Very low	81 Å²	81	103 Å²	103	42%	0.424	58%	0.582	S	S	.	*	H	α-helix	trans	-79.4	-33.3	170.2	-85.5	99.2	0	0	0	112.2	L7 I8 T13 L14	L7-L11 WeakPolarHBondContact O-CD1 3.37Å; L7-L11 PolarHBondContact O-N 3.37Å; L7-L11 VanDerWaalsContact O-N 3.13Å; I8-L11 WeakPolarHBondContact O-CA 3.35Å; I8-L11 PolarHBondContact O-N 3.32Å; L11-T13 PolarHBondContact O-N 3.03Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 2.74Å
12	D	40.1	Very low	37.1	Very low	91 Å²	91	103.7 Å²	103.7	49%	0.487	58%	0.581	S	S	.	*	H	α-helix	trans	-60.1	-29.7	177.2	-66.9	-33.7	0	0	0	112.1	I8 L14 N15	I8-D12 PolarHBondContact O-N 3.08Å; D12-L14 PolarHBondContact O-N 3.06Å; D12-L14 VanDerWaalsContact O-N 3.12Å; D12-N15 PolarHBondContact O-N 3.1Å
13	T	41.9	Very low	36.4	Very low	103 Å²	103	109.7 Å²	109.7	63%	0.632	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-2.5	171.5	49	0	0	0	0	115.7	S10 L11	S10-T13 PolarHBondContact O-OG1 2.97Å; L11-T13 PolarHBondContact O-N 3.03Å
14	L	36.5	Very low	35.8	Very low	140 Å²	140	110.7 Å²	110.7	73%	0.733	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-10	167.4	-75.9	160.3	0	0	0	113.4	L11 D12	L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 2.74Å; D12-L14 PolarHBondContact O-N 3.06Å; D12-L14 VanDerWaalsContact O-N 3.12Å
15	N	30.2	Very low	35.1	Very low	134 Å²	134	115.8 Å²	115.8	72%	0.717	63%	0.634	S	S	*	*			trans	-112.3	46.9	-179.3	-71.9	-32	0	0	0	112.2	D12	D12-N15 PolarHBondContact O-N 3.1Å
16	G	28.4	Very low	34.3	Very low	58 Å²	58	117.2 Å²	117.2	60%	0.598	65%	0.651	S	S	*	*			trans	-68.8	130.3	162.3	0	0	0	0	0	110	C18	G16-C18 PolarHBondContact O-N 3.23Å
17	P	28.5	Very low	33.6	Very low	124 Å²	124	121 Å²	121	81%	0.805	68%	0.675	S	S	*	*			trans	-72.5	105.4	-177.5	28.6	-33.8	0	0	0	110.6	S19	P17-S19 PolarHBondContact O-N 3.32Å
18	C	26	Very low	33.1	Very low	124 Å²	124	121.6 Å²	121.6	84%	0.838	69%	0.691	S	S	*	*			trans	-63.8	98.2	161.3	-81.1	0	0	0	0	108.7	G16 V20	G16-C18 PolarHBondContact O-N 3.23Å; C18-V20 PolarHBondContact O-N 2.89Å
19	S	30.1	Very low	32.2	Very low	117 Å²	117	121.7 Å²	121.7	82%	0.818	70%	0.699	S	S	*	*			trans	-68.1	91.1	-180	59.3	0	0	0	0	111.2	P17 N21	P17-S19 PolarHBondContact O-N 3.32Å; S19-N21 PolarHBondContact O-N 2.8Å
20	V	25.7	Very low	31.4	Very low	130 Å²	130	122 Å²	122	79%	0.788	71%	0.708	S	S	*	*			trans	-79.8	94	166.2	-178.7	0	0	0	0	108.3	C18	C18-V20 PolarHBondContact O-N 2.89Å
21	N	28	Very low	31	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	74%	0.735	S	S	*	*			trans	-168.6	129.8	148.1	-103.6	-42.8	0	0	0	114.3	S19	S19-N21 PolarHBondContact O-N 2.8Å
22	K	27.4	Very low	30.6	Very low	179 Å²	179	127.3 Å²	127.3	78%	0.778	75%	0.746	S	S	*	*			trans	62.9	89.2	152.6	-58.9	177.8	-178.9	178.5	0	118.8
23	I	29.8	Very low	30.1	Very low	178 Å²	178	130.1 Å²	130.1	91%	0.913	76%	0.761	S	S	*	*				-115.8	131.9	123.1	-64.4	-178.9	0	0	0	107.3
24	S	29.4	Very low	29.7	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	77%	0.77	S	S	*	*			trans	-126.5	147.8	-172.1	53.9	0	0	0	0	111.1
25	K	27.3	Very low	29.5	Very low	196 Å²	196	133 Å²	133	85%	0.852	77%	0.767	S	S	*	*			trans	76.1	145.5	178.6	-55.3	-177.2	172.1	-179.1	0	113
26	P	29.1	Very low	29.6	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	77%	0.765	S	S	*	*				-119.4	153.1	61.7	32.8	-20.6	0	0	0	117.1
27	L	30.4	Very low	29.7	Very low	164 Å²	164	136.5 Å²	136.5	86%	0.859	77%	0.768	S	S	*	*			trans	40.1	128.3	146.8	-91.4	60.1	0	0	0	123.3
28	A	29.3	Very low	29.8	Very low	87 Å²	87	138.1 Å²	138.1	72%	0.719	76%	0.762	S	S	*	*			trans	-77.1	178.5	145.3	0	0	0	0	0	109.6
29	S	30.7	Very low	30	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	75%	0.753	S	S	*	*			cis	-166.8	157.7	14.1	28.9	0	0	0	0	109.8
30	E	29	Very low	30.1	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	75%	0.749	S	S	*	*			trans	51.7	113.5	146.9	-64.1	168.1	179.6	0	0	119.1
31	T	31.9	Very low	30.5	Very low	136 Å²	136	136.8 Å²	136.8	83%	0.834	74%	0.744	S	S	*	*				-178.4	164.6	79.4	32.4	0	0	0	0	109.8
32	S	32.7	Very low	30.7	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	75%	0.75	S	S	*	*			cis	-164.7	144.9	-15.9	51.8	0	0	0	0	111.5
33	N	30.1	Very low	31	Very low	150 Å²	150	140.6 Å²	140.6	80%	0.802	76%	0.755	S	S	*	*			trans	40.4	122.9	147.3	-59.7	-16.6	0	0	0	123.2
34	Q	33.7	Very low	31.1	Very low	176 Å²	176	142.4 Å²	142.4	82%	0.822	76%	0.756	S	S	*	*				160.8	145.3	115.5	-82.4	-173.2	30.6	0	0	108.7
35	L	32.4	Very low	31.3	Very low	126 Å²	126	148.8 Å²	148.8	66%	0.66	77%	0.765	S	S	*	*			cis	-163.7	147.9	-11.6	-108.4	164.8	0	0	0	109.3
36	N	31	Very low	31.7	Very low	128 Å²	128	151.6 Å²	151.6	68%	0.684	77%	0.771	S	S	*	*			trans	48.5	131.3	154.3	-63.6	-3.9	0	0	0	121.7
37	E	30.5	Very low	31.8	Very low	139 Å²	139	156.6 Å²	156.6	65%	0.65	77%	0.774	S	S	*	*				56.5	137.7	70.5	-71	-156.5	133.2	0	0	114.3
38	K	30.9	Very low	31.9	Very low	157 Å²	157	160.5 Å²	160.5	68%	0.683	78%	0.777	S	S	*	*			cis	-166.1	141.3	20.9	-127.1	158.7	-176.7	143.4	0	113.2
39	S	31.2	Very low	32.1	Very low	92 Å²	92	166.2 Å²	166.2	64%	0.643	79%	0.786	S	S	*	*			trans	43.4	138.9	139	70.5	0	0	0	0	126.4
40	N	32	Very low	32.2	Very low	139 Å²	139	174 Å²	174	74%	0.743	80%	0.801	S	S	*	*			trans	110.1	97.4	130.6	-74.3	-18.6	0	0	0	125
41	T	32.8	Very low	32.4	Very low	112 Å²	112	176 Å²	176	69%	0.687	81%	0.807	S	S	*	*				52.6	127.1	125.7	67.3	0	0	0	0	124.1
42	K	32.9	Very low	32.3	Very low	198 Å²	198	179.5 Å²	179.5	86%	0.861	81%	0.811	S	S	*	*				178.2	124.8	102.7	-97	171.4	-174.6	170	0	116.7
43	K	33.1	Very low	32.4	Very low	200 Å²	200	180.4 Å²	180.4	87%	0.87	82%	0.817	S	S	*	*			trans	-1.4	140	153.7	-63.3	169.3	176.8	168.9	0	121.9
44	K	32.9	Very low	32.4	Very low	216 Å²	216	176.7 Å²	176.7	94%	0.939	81%	0.814	S	S	*	*				-155.3	163.7	116.6	-114	173	-174.4	175.2	0	113.1
45	R	34.2	Very low	32.2	Very low	226 Å²	226	175.7 Å²	175.7	85%	0.853	82%	0.815	S	S	*	*			trans	-113.4	154.4	-163.8	-65	155.1	71.3	158.1	-1.1	112.7
46	R	34	Very low	32.3	Very low	256 Å²	256	177.8 Å²	177.8	97%	0.966	83%	0.827	S	S	*	*				-159.1	158.6	126.8	-112.7	171.7	176	177.3	-2	112.9
47	R	32	Very low	32.3	Very low	226 Å²	226	175.7 Å²	175.7	85%	0.853	84%	0.835	S	S	*	*			trans	-140.5	149.7	-170.7	-94.5	-177.2	170	173.3	-2.9	109.8
48	R	32.3	Very low	32.4	Very low	245 Å²	245	174.1 Å²	174.1	93%	0.925	84%	0.839	S	S	*	*			trans	168	112.4	138.4	-95.5	168.8	176.6	-167.3	-2.3	107.5
49	K	33.9	Very low	32.5	Very low	207 Å²	207	176.3 Å²	176.3	90%	0.9	85%	0.849	S	S	*	*				51.2	110.6	74.2	-88.6	-164.2	173.8	-172.3	0	115
50	R	32.8	Very low	32.5	Very low	258 Å²	258	175.6 Å²	175.6	97%	0.974	85%	0.849	S	S	*	*			trans	-97.9	157.3	159.3	-88.3	-179.7	161.3	170.6	-6.6	110.1
51	K	33	Very low	32.5	Very low	215 Å²	215	174.8 Å²	174.8	94%	0.935	85%	0.849	S	S	*	*			trans	-142.1	162.9	174.8	-121.7	-165.9	177.7	-164.2	0	109.4
52	F	29.8	Very low	32.4	Very low	208 Å²	208	176.2 Å²	176.2	91%	0.912	85%	0.852	S	S	*	*			trans	-94.6	145.1	-175.5	-111.1	-97.1	0	0	0	113.6
53	S	34.5	Very low	32.4	Very low	114 Å²	114	174.5 Å²	174.5	80%	0.797	85%	0.851	S	S	*	*			trans	-171.9	131.9	149.7	50.4	0	0	0	0	104.7
54	G	30.3	Very low	32.2	Very low	72 Å²	72	168.6 Å²	168.6	74%	0.742	85%	0.847	S	S	*	*				79.5	118.8	55.5	0	0	0	0	0	110.1
55	N	30	Very low	31.9	Very low	155 Å²	155	164.1 Å²	164.1	83%	0.829	84%	0.842	S	S	*	*			cis	176	128.9	-20.5	172	69.9	0	0	0	104
56	D	33.6	Very low	31.8	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	83%	0.83	S	S	*	*			trans	-160.6	148.1	175.7	-98	-35.2	0	0	0	111.7
57	G	31.5	Very low	31.6	Very low	84 Å²	84	154.7 Å²	154.7	87%	0.866	83%	0.825	S	S	*	*			trans	97.4	98.8	161.9	0	0	0	0	0	117.7
58	S	32	Very low	31.6	Very low	105 Å²	105	150.5 Å²	150.5	73%	0.734	83%	0.825	S	S	*	*			trans	-100.4	144.3	173.9	54.2	0	0	0	0	113.5
59	F	32.8	Very low	31.4	Very low	204 Å²	204	150 Å²	150	90%	0.895	82%	0.823	S	S	*	*			trans	-172.9	112	142.8	-89.9	-67.7	0	0	0	106.4
60	A	32.9	Very low	31.4	Very low	76 Å²	76	147.1 Å²	147.1	63%	0.628	82%	0.817	S	S	*	*				76.1	111.3	84.4	0	0	0	0	0	114.4
61	T	30.6	Very low	31.2	Very low	123 Å²	123	142.1 Å²	142.1	76%	0.755	81%	0.809	S	S	*	*			trans	35.1	135.7	132.7	54.3	0	0	0	0	119.4
62	D	30.5	Very low	30.9	Very low	141 Å²	141	139.9 Å²	139.9	75%	0.754	80%	0.802	S	S	*	*			cis	-163.6	178.4	48.1	-127.5	-34.6	0	0	0	117
63	I	32.9	Very low	31	Very low	163 Å²	163	134.8 Å²	134.8	84%	0.836	79%	0.792	S	S	*	*			trans	-62.1	148.8	178.2	-65.1	152.4	0	0	0	114.6
64	G	28.8	Very low	30.8	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	79%	0.787	S	S	*	*			trans	171.6	125.2	159.8	0	0	0	0	0	115.7
65	C	27.9	Very low	30.8	Very low	122 Å²	122	137.2 Å²	137.2	82%	0.824	79%	0.786	S	S	*	*			trans	-131.1	131.2	-176.2	175.7	0	0	0	0	112.3
66	S	32.6	Very low	30.8	Very low	87 Å²	87	136.8 Å²	136.8	61%	0.608	78%	0.784	S	S	*	*			trans	160.1	132.5	133.1	-81.2	0	0	0	0	115.4
67	K	28.3	Very low	30.7	Very low	196 Å²	196	134.1 Å²	134.1	85%	0.852	77%	0.774	S	S	*	*			trans	67.1	141.4	146.1	-61.2	165.7	-171.1	172.5	0	115.8
68	T	33	Very low	30.7	Very low	139 Å²	139	134.3 Å²	134.3	85%	0.853	77%	0.767	S	S	*	*				-136.6	172.4	57.8	43.2	0	0	0	0	115.4
69	R	28.7	Very low	30.7	Very low	234 Å²	234	135.9 Å²	135.9	88%	0.883	77%	0.767	S	S	*	*			trans	-94.5	154.3	166.6	-63.1	166.5	169.5	150.2	-7	108.8
70	D	32.4	Very low	30.5	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	76%	0.759	S	S	*	*			trans	-164.7	120.9	136.1	-83	-36.2	0	0	0	106
71	L	30.3	Very low	30.4	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	77%	0.77	S	S	*	*				88.8	137.8	70	-104.9	165.1	0	0	0	113.8
72	E	26.5	Very low	30.2	Very low	168 Å²	168	135 Å²	135	79%	0.785	77%	0.77	S	S	*	*			trans	-74.9	164.2	-166.7	-60.2	157.9	126.9	0	0	111.7
73	S	31.5	Very low	30.2	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	78%	0.775	S	S	*	*				170.2	156	84.6	45.4	0	0	0	0	114
74	S	30.2	Very low	30	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	77%	0.767	S	S	*	*			trans	66.1	150.7	145.1	47.2	0	0	0	0	120.9
75	L	29.7	Very low	30.1	Very low	138 Å²	138	136.6 Å²	136.6	72%	0.723	76%	0.764	S	S	*	*			cis	-162	154.1	-5.3	-116	163	0	0	0	110.9	T77	L75-T77 HydrophobicContact CD2-CG2 4.25Å
76	N	30.7	Very low	30.3	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	76%	0.762	S	S	*	*			trans	169.8	101.9	131.5	-86.4	-16.8	0	0	0	108.2
77	T	31.5	Very low	30.2	Very low	115 Å²	115	142.5 Å²	142.5	71%	0.706	77%	0.769	S	S	*	*				66.9	133.2	91.8	54.3	0	0	0	0	113.7	L75	L75-T77 HydrophobicContact CD2-CG2 4.25Å
78	A	31.7	Very low	30.3	Very low	88 Å²	88	141.8 Å²	141.8	73%	0.727	77%	0.766	S	S	*	*			cis	-144.4	147.4	24.5	0	0	0	0	0	115.1
79	D	31.1	Very low	30	Very low	139 Å²	139	143.3 Å²	143.3	74%	0.743	76%	0.764	S	S	*	*				13.9	153.9	120.8	-66.5	-0.2	0	0	0	120.5
80	L	28.7	Very low	30.1	Very low	139 Å²	139	139 Å²	139	73%	0.728	76%	0.758	S	S	*	*			cis	-170.2	-179.5	-12.1	-110.2	171	0	0	0	108.4
81	T	31	Very low	30	Very low	138 Å²	138	139.4 Å²	139.4	85%	0.847	76%	0.76	S	S	*	*			trans	83.5	152.1	158.5	79.9	0	0	0	0	121.1
82	S	26.9	Very low	29.9	Very low	108 Å²	108	140.9 Å²	140.9	76%	0.755	76%	0.762	S	S	*	*			trans	-139.7	129.4	-169.4	53.6	0	0	0	0	109.4
83	E	30.5	Very low	30.5	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	76%	0.756	S	S	*	*			trans	-173.1	111.8	161.5	-104.7	164.3	-158.4	0	0	104.8
84	S	27.2	Very low	30.3	Very low	95 Å²	95	142.1 Å²	142.1	66%	0.664	76%	0.763	S	S	*	*				79.5	110.9	82.5	72.9	0	0	0	0	114.8
85	D	32.6	Very low	30.2	Very low	133 Å²	133	145.5 Å²	145.5	71%	0.711	77%	0.765	S	S	*	*			trans	-170.7	128.3	138.2	-93.7	-24	0	0	0	108.7
86	Q	30.6	Very low	30.2	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	77%	0.769	S	S	*	*				58.2	127.4	96	-57.9	-176.8	59.6	0	0	112.6
87	E	31.5	Very low	30	Very low	164 Å²	164	148.6 Å²	148.6	77%	0.766	77%	0.768	S	S	*	*			cis	-134.2	172.1	15.8	-53.2	164.7	120.9	0	0	108.8
88	F	30.2	Very low	29.7	Very low	180 Å²	180	147.2 Å²	147.2	79%	0.789	76%	0.763	S	S	*	*			cis	-144.1	141.6	22.6	-109.5	-94.7	0	0	0	109.7
89	Q	26.5	Very low	29.5	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	76%	0.762	S	S	*	*			trans	-117.7	157.7	160	-78.3	-170.3	-1	0	0	110.3
90	N	30.7	Very low	29.2	Very low	142 Å²	142	149.5 Å²	149.5	76%	0.759	76%	0.762	S	S	*	*			trans	134.4	138.6	155.8	-69.8	-27.2	0	0	0	111.7
91	L	30.1	Very low	29.3	Very low	157 Å²	157	152.5 Å²	152.5	82%	0.822	77%	0.769	S	S	*	*			cis	-156.9	170.5	-4.6	-112.9	164.8	0	0	0	110.6
92	H	28.4	Very low	29.2	Very low	183 Å²	183	153.7 Å²	153.7	85%	0.847	77%	0.765	S	S	*	*			trans	-81	170.5	-173.7	-103.2	-92.6	0	0	0	115.3
93	P	39.8	Very low	29.4	Very low	102 Å²	102	155.4 Å²	155.4	66%	0.662	77%	0.771	S	S	*	*			trans	-104.4	172.5	-160	40.7	-38.4	0	0	0	116.5
94	K	27.5	Very low	29.3	Very low	192 Å²	192	152.9 Å²	152.9	84%	0.835	76%	0.762	S	S	*	*			trans	-176.2	129.7	143.9	-101.7	153.1	-171	174.5	0	116.6
95	K	26.7	Very low	29.4	Very low	172 Å²	172	156.1 Å²	156.1	75%	0.748	77%	0.772	S	S	*	*			trans	66.1	136.1	135	-70.8	-177.4	175.1	-172.6	0	125.1
96	Q	29.8	Very low	29.3	Very low	172 Å²	172	154 Å²	154	80%	0.804	77%	0.768	S	S	*	*			trans	71.5	151.7	142	-77	178.4	-33.5	0	0	119.7
97	K	26.6	Very low	29.4	Very low	175 Å²	175	154 Å²	154	76%	0.761	77%	0.773	S	S	*	*			cis	-172.8	157.2	-23.4	-155.9	-167.9	175.7	-164.2	0	108.8
98	C	24.9	Very low	29.2	Very low	87 Å²	87	152 Å²	152	59%	0.588	77%	0.773	S	S	*	*			trans	67.9	155.1	162.1	-65	0	0	0	0	117.8
99	D	27.9	Very low	29.3	Very low	135 Å²	135	151.7 Å²	151.7	72%	0.722	78%	0.777	S	S	*	*			cis	-160.8	170.3	-17	-101.6	-27.8	0	0	0	112.7
100	L	26	Very low	29.5	Very low	139 Å²	139	148.1 Å²	148.1	73%	0.728	78%	0.777	S	S	*	*			trans	-23.6	148	178.5	-70.4	87.1	0	0	0	123.4
101	K	30.6	Very low	29.4	Very low	203 Å²	203	144.8 Å²	144.8	88%	0.883	78%	0.776	S	S	*	*				-177.9	109.7	120.1	-96.8	167.6	-173.9	-177.7	0	109.9
102	Q	28.8	Very low	29.5	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.762	78%	0.78	S	S	*	*				47.4	110.9	86	-91.8	-166.9	-1.9	0	0	117.6
103	V	31.5	Very low	29.4	Very low	144 Å²	144	145.9 Å²	145.9	87%	0.873	78%	0.779	S	S	*	*			trans	-143.8	137.3	139.4	174.9	0	0	0	0	107.2
104	L	27.1	Very low	28.8	Very low	132 Å²	132	147.2 Å²	147.2	69%	0.691	79%	0.789	S	S	*	*			trans	-91.6	155.9	171.1	-75.9	81.7	0	0	0	109.8
105	D	30.5	Very low	28.6	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	79%	0.789	S	S	*	*				-156	161.7	118.3	-112	-28.5	0	0	0	112.5
106	S	30.4	Very low	28.7	Very low	89 Å²	89	146.5 Å²	146.5	62%	0.622	80%	0.795	S	S	*	*			trans	-117.2	153.1	-159	54.5	0	0	0	0	113.8
107	N	31.1	Very low	28.6	Very low	169 Å²	169	143.5 Å²	143.5	90%	0.904	79%	0.793	S	S	*	*			trans	-160.9	143	137.7	-104.6	-38.5	0	0	0	114.2
108	T	28.4	Very low	28.8	Very low	122 Å²	122	141.3 Å²	141.3	75%	0.748	80%	0.797	S	S	*	*			trans	-90.6	140.1	-165.9	-56.5	0	0	0	0	113.4
109	I	32.7	Very low	28.9	Very low	173 Å²	173	146.7 Å²	146.7	89%	0.887	81%	0.81	S	S	*	*			trans	-146.6	133	131.7	-63.1	-163.8	0	0	0	110.5
110	A	31	Very low	28.8	Very low	96 Å²	96	148.2 Å²	148.2	79%	0.793	82%	0.818	S	S	*	*			trans	-45.9	156.7	-176	0	0	0	0	0	120.7
111	G	27.8	Very low	28.7	Very low	72 Å²	72	145 Å²	145	74%	0.742	82%	0.818	S	S	*	*			trans	153.4	82.1	135	0	0	0	0	0	120.6
112	K	32.1	Very low	28.7	Very low	210 Å²	210	143.8 Å²	143.8	91%	0.913	82%	0.821	S	S	*	*			trans	76.1	105.5	158.2	-65	-178	175.3	178.4	0	119.8
113	D	25.8	Very low	28.5	Very low	154 Å²	154	143 Å²	143	82%	0.824	82%	0.821	S	S	*	*			trans	-63.4	152.3	155.3	-51.5	-81.4	0	0	0	113
114	C	27	Very low	28.2	Very low	129 Å²	129	143.5 Å²	143.5	87%	0.872	82%	0.819	S	S	*	*				-178	111	104.4	-105.8	0	0	0	0	111.6
115	I	23.7	Very low	28.3	Very low	161 Å²	161	141.4 Å²	141.4	83%	0.826	82%	0.82	S	S	*	*			trans	-93	124.3	154.2	-63.9	170.3	0	0	0	106.6
116	Q	30.2	Very low	28.1	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	82%	0.818	S	S	*	*			trans	-174.1	141	137.9	-104.7	162.3	56.3	0	0	112.2
117	S	26.6	Very low	27.9	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	83%	0.831	S	S	*	*			trans	-86.9	157.9	166.5	48.4	0	0	0	0	110.7
118	P	30.1	Very low	27.6	Very low	128 Å²	128	147.6 Å²	147.6	83%	0.831	83%	0.828	S	S	*	*			trans	-120.6	152.6	154.5	30.3	-16.8	0	0	0	112.8
119	K	27.1	Very low	27.4	Very low	200 Å²	200	147.1 Å²	147.1	87%	0.87	83%	0.83	S	S	*	*			trans	-89.3	156.5	175.6	-65.9	174.7	-179	176.1	0	111
120	N	25.6	Very low	27.1	Very low	167 Å²	167	145.7 Å²	145.7	89%	0.893	82%	0.819	S	S	*	*			trans	0.3	133.2	158.7	-58.3	0.1	0	0	0	119
121	G	25.1	Very low	26.8	Very low	71 Å²	71	147.7 Å²	147.7	73%	0.732	82%	0.822	S	S	*	*			trans	163.6	70.3	155.9	0	0	0	0	0	116.1
122	L	30.3	Very low	26.8	Very low	178 Å²	178	150.6 Å²	150.6	93%	0.932	82%	0.82	S	S	*	*			trans	-163.8	117.5	151.6	-111.1	147	0	0	0	111.3
123	L	25.2	Very low	26.7	Very low	148 Å²	148	146.1 Å²	146.1	78%	0.775	82%	0.815	S	S	*	*			trans	-92.7	156.1	173.8	-83.2	154.5	0	0	0	110.1
124	N	25.5	Very low	27.1	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	80%	0.798	S	S	*	*			trans	56.9	96.5	153.8	-57.7	-2.6	0	0	0	118.1
125	A	28.2	Very low	27.7	Very low	88 Å²	88	139.5 Å²	139.5	73%	0.727	78%	0.778	S	S	*	*			trans	-131.8	128.5	146.2	0	0	0	0	0	108.2
126	P	27.2	Very low	28.9	Very low	126 Å²	126	135 Å²	135	82%	0.818	76%	0.761	S	S	*	*			trans	-70.8	137.6	-178.5	28.7	-33.6	0	0	0	110.4	R128	P126-R128 PolarHBondContact O-N 2.89Å
127	F	25.8	Very low	29.7	Very low	207 Å²	207	134.2 Å²	134.2	91%	0.908	76%	0.755	S	S	*	*			trans	-66.6	95.3	174.6	-107.9	-93.9	0	0	0	109.7	S129	F127-S129 PolarHBondContact O-N 3.46Å; F127-S129 VanDerWaalsContact O-N 3.14Å
128	R	25	Very low	30.8	Very low	218 Å²	218	134.7 Å²	134.7	82%	0.823	75%	0.745	S	S	*	*			trans	-66.3	111.1	170.6	-156.4	178.2	-162.3	171.9	5.1	107.5	P126 E130	P126-R128 PolarHBondContact O-N 2.89Å; R128-E130 PolarHBondContact O-N 3.02Å
129	S	24.1	Very low	32.1	Very low	113 Å²	113	131 Å²	131	79%	0.79	72%	0.717	S	S	*	*			trans	-67.5	79.9	172.8	-70.3	0	0	0	0	109.9	F127 T131	F127-S129 PolarHBondContact O-N 3.46Å; F127-S129 VanDerWaalsContact O-N 3.14Å; S129-T131 PolarHBondContact O-N 3.33Å
130	E	25	Very low	33.5	Very low	142 Å²	142	123.3 Å²	123.3	66%	0.664	69%	0.687	S	S	*	*			trans	-63.5	103.7	164.6	-73.6	-171.9	169.4	0	0	108	R128 L132	R128-E130 PolarHBondContact O-N 3.02Å; E130-L132 HydrophobicContact CB-CG 4.44Å; E130-L132 PolarHBondContact O-N 2.77Å
131	T	25.2	Very low	35.2	Very low	139 Å²	139	117.9 Å²	117.9	85%	0.853	66%	0.663	S	S	*	*			trans	-68	66.4	164.4	47.6	0	0	0	0	109.3	S129 S133	S129-T131 PolarHBondContact O-N 3.33Å; T131-S133 PolarHBondContact O-N 2.63Å; T131-S133 VanDerWaalsContact O-N 3.14Å
132	L	27.6	Very low	37.6	Very low	133 Å²	133	117.2 Å²	117.2	70%	0.696	65%	0.647	S	S	*	*			trans	-50.7	120.8	166.2	-80.7	163.6	0	0	0	107.2	E130 V134	E130-L132 HydrophobicContact CB-CG 4.44Å; E130-L132 PolarHBondContact O-N 2.77Å; L132-V134 PolarHBondContact O-N 3.16Å
133	S	30.1	Very low	40.4	Very low	116 Å²	116	108.9 Å²	108.9	81%	0.811	60%	0.603	S	S	*	*			trans	-67.2	83.8	179.4	58.4	0	0	0	0	109.5	T131 S135	T131-S133 PolarHBondContact O-N 2.63Å; T131-S133 VanDerWaalsContact O-N 3.14Å; S133-S135 PolarHBondContact O-N 2.93Å
134	V	34.4	Very low	43.7	Very low	79 Å²	79	103 Å²	103	48%	0.479	57%	0.572	S	S	.	*			trans	-56.7	110.7	177.6	-177.6	0	0	0	0	107.3	L132 S136 Q138 I139	L132-V134 PolarHBondContact O-N 3.16Å; V134-S136 PolarHBondContact O-N 2.91Å; V134-Q138 HydrophobicContact CG1-CB 3.62Å; V134-I139 HydrophobicContact CB-CD1 4.36Å; V134-I139 HydrophobicContact CB-CG1 4.21Å; V134-I139 HydrophobicContact CG1-CD1 4.37Å; V134-I139 HydrophobicContact CG1-CG1 3.68Å
135	S	39.7	Very low	46.9	Very low	64 Å²	64	95.7 Å²	95.7	45%	0.448	53%	0.533	S	S	.	.			trans	-52.1	138.8	-177.3	180	0	0	0	0	109.6	S133 K137 Q138 I139	S133-S135 PolarHBondContact O-N 2.93Å; S135-K137 PolarHBondContact O-N 3.39Å; S135-Q138 WeakPolarHBondContact O-CB 3.49Å; S135-Q138 PolarHBondContact O-N 2.74Å; S135-I139 PolarHBondContact O-N 2.77Å
136	S	49.7	Very low	50.2	Low	66 Å²	66	94.1 Å²	94.1	46%	0.462	51%	0.512	S	S	.	.	H	α-helix	trans	-54.4	-24.6	-178.4	-38.1	0	0	0	0	112.7	V134 T140	V134-S136 PolarHBondContact O-N 2.91Å; S136-T140 WeakPolarHBondContact O-CB 3.29Å; S136-T140 WeakPolarHBondContact O-CG2 3.32Å; S136-T140 PolarHBondContact O-N 2.67Å; S136-T140 PolarHBondContact O-OG1 3.03Å
137	K	47.2	Very low	53.4	Low	173 Å²	173	93.7 Å²	93.7	75%	0.752	50%	0.498	S	S	*	.	H	α-helix	trans	-65.6	-34.2	171.8	-69.5	-177.1	178.9	175.9	0	114.2	S135 T140 S141	S135-K137 PolarHBondContact O-N 3.39Å; K137-T140 WeakPolarHBondContact CA-OG1 3.33Å; K137-T140 PolarHBondContact O-OG1 2.9Å; K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.44Å
138	Q	48	Very low	56.7	Low	119 Å²	119	86 Å²	86	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-72.7	-46.5	175.2	-83.3	173.3	-33.3	0	0	110.9	V134 S135 T140 S141 S142	V134-Q138 HydrophobicContact CG1-CB 3.62Å; S135-Q138 WeakPolarHBondContact O-CB 3.49Å; S135-Q138 PolarHBondContact O-N 2.74Å; Q138-T140 PolarHBondContact O-N 2.7Å; Q138-S141 WeakPolarHBondContact O-CB 3.04Å; Q138-S141 PolarHBondContact O-N 3.03Å; Q138-S141 PolarHBondContact O-OG 3.05Å; Q138-S142 PolarHBondContact O-N 2.76Å
139	I	57.5	Low	60.1	Low	51 Å²	51	75.6 Å²	75.6	26%	0.262	43%	0.425	S	S	.	.	H	α-helix	trans	-60.6	-43.1	177.8	-54.8	176.5	0	0	0	111.3	V134 S135 S141 S142 L143	V134-I139 HydrophobicContact CB-CD1 4.36Å; V134-I139 HydrophobicContact CB-CG1 4.21Å; V134-I139 HydrophobicContact CG1-CD1 4.37Å; V134-I139 HydrophobicContact CG1-CG1 3.68Å; S135-I139 PolarHBondContact O-N 2.77Å; I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 2.96Å; I139-S142 PolarHBondContact O-N 3.21Å; I139-S142 PolarHBondContact O-OG 3.19Å; I139-L143 HydrophobicContact CG2-CD1 3.95Å; I139-L143 WeakPolarHBondContact O-CB 3.41Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.37Å; I139-L143 VanDerWaalsContact O-N 3.14Å
140	T	56.9	Low	63.5	Low	38 Å²	38	72.6 Å²	72.6	23%	0.233	40%	0.399	C	S	.	.	H	α-helix	trans	-68.2	-27	175.4	46.6	0	0	0	0	113.1	S136 K137 Q138 F624 E654	S136-T140 WeakPolarHBondContact O-CB 3.29Å; S136-T140 WeakPolarHBondContact O-CG2 3.32Å; S136-T140 PolarHBondContact O-N 2.67Å; S136-T140 PolarHBondContact O-OG1 3.03Å; K137-T140 WeakPolarHBondContact CA-OG1 3.33Å; K137-T140 PolarHBondContact O-OG1 2.9Å; Q138-T140 PolarHBondContact O-N 2.7Å; T140-F624 HydrophobicContact CG2-CD2 4.12Å; T140-E654 HydrophobicContact CG2-CG 3.73Å; T140-E654 VanDerWaalsContact CG2-OE1 3.24Å; T140-E654 WeakPolarHBondContact CG2-OE1 3.3Å
141	S	61.1	Low	66.8	Low	54 Å²	54	71.4 Å²	71.4	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-75.1	-34.8	175.2	79.5	0	0	0	0	113.1	K137 Q138 I139	K137-S141 WeakPolarHBondContact O-CB 3.46Å; K137-S141 PolarHBondContact O-N 3.44Å; Q138-S141 WeakPolarHBondContact O-CB 3.04Å; Q138-S141 PolarHBondContact O-N 3.03Å; Q138-S141 PolarHBondContact O-OG 3.05Å; I139-S141 VanDerWaalsContact C-N 3.28Å; I139-S141 PolarHBondContact O-N 2.96Å
142	S	76.6	Confident	70.1	Confident	57 Å²	57	65.3 Å²	65.3	40%	0.399	36%	0.355	S	S	.	.	H	α-helix	trans	-74.7	-30.7	176.8	60.5	0	0	0	0	112.4	Q138 I139 N144 Q148	Q138-S142 PolarHBondContact O-N 2.76Å; I139-S142 PolarHBondContact O-N 3.21Å; I139-S142 PolarHBondContact O-OG 3.19Å; S142-N144 PolarHBondContact O-N 3.17Å; S142-Q148 PolarHBondContact O-NE2 3Å
143	L	88.2	Confident	73.3	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	18.8	175.9	-72	170.4	0	0	0	114.7	I139 P145 D521 E522 R545 F624	I139-L143 HydrophobicContact CG2-CD1 3.95Å; I139-L143 WeakPolarHBondContact O-CB 3.41Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.37Å; I139-L143 VanDerWaalsContact O-N 3.14Å; L143-P145 WeakPolarHBondContact O-CD 3.48Å; L143-D521 HydrophobicContact CD2-CB 4.13Å; L143-E522 HydrophobicContact CD2-CG 3.61Å; L143-R545 PolarHBondContact O-NE 3.42Å; L143-R545 PolarHBondContact O-NH2 3.14Å; L143-F624 HydrophobicContact CB-CE2 4.09Å; L143-F624 HydrophobicContact CB-CZ 4.39Å; L143-F624 HydrophobicContact CD1-CE2 4.43Å; L143-F624 HydrophobicContact CD1-CZ 4.3Å
144	N	94	Very high	76.4	Confident	25 Å²	25	56.9 Å²	56.9	13%	0.134	30%	0.298	C	S	.	.			trans	-102.7	102.2	179.6	-176.5	-37.8	0	0	0	110.8	S142 L146 K147 Q148 P622	S142-N144 PolarHBondContact O-N 3.17Å; N144-L146 VanDerWaalsContact C-N 3.3Å; N144-L146 PolarHBondContact O-N 3.16Å; N144-L146 PolarHBondContact OD1-N 3.32Å; N144-K147 HydrophobicContact CB-CB 4.14Å; N144-K147 HydrophobicContact CB-CD 4.22Å; N144-K147 HydrophobicContact CB-CG 4.24Å; N144-K147 PolarHBondContact O-N 2.7Å; N144-K147 VanDerWaalsContact O-N 3.11Å; N144-K147 PolarHBondContact OD1-N 3.5Å; N144-K147 VanDerWaalsContact OD1-N 3.11Å; N144-Q148 WeakPolarHBondContact O-CG 3.49Å; N144-Q148 PolarHBondContact O-N 2.78Å; N144-P622 WeakPolarHBondContact ND2-CG 3.33Å; N144-P622 WeakPolarHBondContact OD1-CG 3.36Å
145	P	94.4	Very high	79.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-26.8	-173.9	27	-37.3	0	0	0	114	L143 Q148 G149 L260 E263 Y621	L143-P145 WeakPolarHBondContact O-CD 3.48Å; P145-Q148 PolarHBondContact O-N 3.42Å; P145-G149 PolarHBondContact O-N 2.77Å; P145-L260 HydrophobicContact CB-CD2 3.85Å; P145-E263 HydrophobicContact CB-CG 4.2Å; P145-E263 HydrophobicContact CG-CG 4.36Å; P145-Y621 HydrophobicContact CG-CE2 4.42Å; P145-Y621 WeakPolarHBondContact CG-OH 3.27Å
146	L	95.8	Very high	81.7	Confident	55 Å²	55	53 Å²	53	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-42.7	173	-65.2	177.9	0	0	0	111.3	N144 G149 E150 E263 Y621 P622	N144-L146 VanDerWaalsContact C-N 3.3Å; N144-L146 PolarHBondContact O-N 3.16Å; N144-L146 PolarHBondContact OD1-N 3.32Å; L146-G149 PolarHBondContact O-N 3.1Å; L146-E150 WeakPolarHBondContact O-CB 3.48Å; L146-E150 PolarHBondContact O-N 3.17Å; L146-E263 HydrophobicContact CD2-CG 3.98Å; L146-E263 WeakPolarHBondContact CD2-O 3.39Å; L146-Y621 HydrophobicContact CD1-CE1 4.27Å; L146-Y621 HydrophobicContact CG-CE1 4.25Å; L146-P622 HydrophobicContact CD1-CG 3.93Å; L146-P622 HydrophobicContact CG-CG 4.39Å
147	K	95.5	Very high	83.7	Confident	116 Å²	116	49.8 Å²	49.8	50%	0.504	25%	0.246	S	C	.	.	H	α-helix	trans	-68.9	-38.6	175.1	-70.5	-174.1	175.7	-172.7	0	112.1	N144 E150 Q151	N144-K147 HydrophobicContact CB-CB 4.14Å; N144-K147 HydrophobicContact CB-CD 4.22Å; N144-K147 HydrophobicContact CB-CG 4.24Å; N144-K147 PolarHBondContact O-N 2.7Å; N144-K147 VanDerWaalsContact O-N 3.11Å; N144-K147 PolarHBondContact OD1-N 3.5Å; N144-K147 VanDerWaalsContact OD1-N 3.11Å; K147-E150 PolarHBondContact O-N 2.72Å; K147-Q151 VanDerWaalsContact O-CB 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.28Å; K147-Q151 PolarHBondContact O-N 3Å
148	Q	95.1	Very high	85.8	Confident	46 Å²	46	47.1 Å²	47.1	22%	0.215	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-41.9	174.6	-68.8	173	-53.1	0	0	111.2	S142 N144 P145 Q151 L152 L260	S142-Q148 PolarHBondContact O-NE2 3Å; N144-Q148 WeakPolarHBondContact O-CG 3.49Å; N144-Q148 PolarHBondContact O-N 2.78Å; P145-Q148 PolarHBondContact O-N 3.42Å; Q148-Q151 PolarHBondContact O-N 2.87Å; Q148-L152 VanDerWaalsContact O-CB 3.31Å; Q148-L152 WeakPolarHBondContact O-CB 3.47Å; Q148-L152 PolarHBondContact O-N 3.05Å; Q148-L260 HydrophobicContact CB-CD1 3.85Å; Q148-L260 HydrophobicContact CB-CD2 3.77Å; Q148-L260 HydrophobicContact CB-CG 4.4Å
149	G	95.6	Very high	87.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-43	173.8	0	0	0	0	0	113.4	P145 L146 Q151 L152 L153 L260	P145-G149 PolarHBondContact O-N 2.77Å; L146-G149 PolarHBondContact O-N 3.1Å; G149-Q151 VanDerWaalsContact C-N 3.33Å; G149-Q151 PolarHBondContact O-N 2.93Å; G149-L152 PolarHBondContact O-N 3.09Å; G149-L153 WeakPolarHBondContact O-CB 3.32Å; G149-L153 PolarHBondContact O-N 3.11Å; G149-L260 WeakPolarHBondContact CA-O 3.37Å
150	E	96.3	Very high	89.6	Confident	50 Å²	50	45.9 Å²	45.9	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173	-167.4	-169.9	155.4	0	0	111.5	L146 K147 L153 K154 L162 Y264	L146-E150 WeakPolarHBondContact O-CB 3.48Å; L146-E150 PolarHBondContact O-N 3.17Å; K147-E150 PolarHBondContact O-N 2.72Å; E150-L153 PolarHBondContact O-N 2.92Å; E150-K154 WeakPolarHBondContact O-CG 3.39Å; E150-K154 PolarHBondContact O-N 2.94Å; E150-K154 VanDerWaalsContact OE1-CE 3.3Å; E150-K154 WeakPolarHBondContact OE1-CE 3.36Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.25Å; E150-L162 HydrophobicContact CG-CD2 3.75Å; E150-Y264 HydrophobicContact CB-CD2 3.84Å; E150-Y264 HydrophobicContact CB-CE2 3.52Å; E150-Y264 HydrophobicContact CG-CE2 3.72Å
151	Q	94.6	Very high	91.4	Very high	117 Å²	117	46.4 Å²	46.4	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-69.8	-39.4	-179.7	-173	58.5	32	0	0	112.3	K147 Q148 G149 L153 K154 E155	K147-Q151 VanDerWaalsContact O-CB 3.31Å; K147-Q151 WeakPolarHBondContact O-CB 3.28Å; K147-Q151 PolarHBondContact O-N 3Å; Q148-Q151 PolarHBondContact O-N 2.87Å; G149-Q151 VanDerWaalsContact C-N 3.33Å; G149-Q151 PolarHBondContact O-N 2.93Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; Q151-K154 WeakPolarHBondContact O-CB 3.38Å; Q151-K154 PolarHBondContact O-N 3.41Å; Q151-E155 PolarHBondContact O-N 3.03Å
152	L	94.5	Very high	93.1	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-40.2	173.5	178	61.1	0	0	0	111.4	Q148 G149 K154 E155 I156 W187 R257 L260 L261	Q148-L152 VanDerWaalsContact O-CB 3.31Å; Q148-L152 WeakPolarHBondContact O-CB 3.47Å; Q148-L152 PolarHBondContact O-N 3.05Å; G149-L152 PolarHBondContact O-N 3.09Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 3.06Å; L152-E155 WeakPolarHBondContact O-CB 3.39Å; L152-E155 PolarHBondContact O-N 3.41Å; L152-I156 HydrophobicContact CD1-CD1 4.43Å; L152-I156 HydrophobicContact CG-CD1 4.15Å; L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.17Å; L152-I156 PolarHBondContact O-N 3.44Å; L152-W187 HydrophobicContact CD1-CH2 4.32Å; L152-W187 HydrophobicContact CD1-CZ2 3.93Å; L152-W187 HydrophobicContact CD2-CH2 4.41Å; L152-R257 HydrophobicContact CD1-CG 4.33Å; L152-R257 HydrophobicContact CD2-CB 3.84Å; L152-R257 HydrophobicContact CD2-CG 4.05Å; L152-R257 WeakPolarHBondContact CD2-O 3.31Å; L152-L260 HydrophobicContact CD2-CB 4.2Å; L152-L260 HydrophobicContact CD2-CD1 4.42Å; L152-L261 HydrophobicContact CD2-CD2 4.2Å; L152-L261 HydrophobicContact CD2-CG 4Å; L152-L261 HydrophobicContact CG-CD2 4.25Å
153	L	95.3	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-35.3	175.4	-175.4	59.1	0	0	0	112.1	G149 E150 Q151 I156 L157 L162 F166 L261 Y264 F265 F293	G149-L153 WeakPolarHBondContact O-CB 3.32Å; G149-L153 PolarHBondContact O-N 3.11Å; E150-L153 PolarHBondContact O-N 2.92Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; L153-I156 PolarHBondContact O-N 2.67Å; L153-L157 HydrophobicContact CD1-CD1 3.98Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 3.97Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.46Å; L153-L162 HydrophobicContact CD2-CD1 3.6Å; L153-L162 HydrophobicContact CG-CD1 3.72Å; L153-F166 HydrophobicContact CD2-CE2 4.2Å; L153-F166 HydrophobicContact CD2-CZ 4.02Å; L153-L261 HydrophobicContact CB-CD2 4.11Å; L153-Y264 HydrophobicContact CD2-CD1 4.04Å; L153-Y264 HydrophobicContact CD2-CE1 3.62Å; L153-F265 HydrophobicContact CD1-CE2 4.29Å; L153-F265 HydrophobicContact CD1-CZ 4.45Å; L153-F265 HydrophobicContact CD2-CE2 3.64Å; L153-F265 HydrophobicContact CD2-CZ 3.71Å; L153-F293 HydrophobicContact CD1-CE2 4.34Å; L153-F293 HydrophobicContact CD1-CZ 4.19Å
154	K	94.3	Very high	94.4	Very high	71 Å²	71	50.2 Å²	50.2	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-44.9	170.3	-70.5	168	-173.1	167.1	0	111.9	E150 Q151 L152 I156 L157 E158 L162	E150-K154 WeakPolarHBondContact O-CG 3.39Å; E150-K154 PolarHBondContact O-N 2.94Å; E150-K154 VanDerWaalsContact OE1-CE 3.3Å; E150-K154 WeakPolarHBondContact OE1-CE 3.36Å; E150-K154 IonicContact OE1-NZ 2.67Å; E150-K154 PolarHBondContact OE1-NZ 3.25Å; Q151-K154 WeakPolarHBondContact O-CB 3.38Å; Q151-K154 PolarHBondContact O-N 3.41Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 3.06Å; K154-I156 VanDerWaalsContact C-N 3.28Å; K154-I156 PolarHBondContact O-N 3.25Å; K154-L157 PolarHBondContact O-N 2.93Å; K154-L157 VanDerWaalsContact O-N 3.16Å; K154-E158 PolarHBondContact O-N 3.48Å; K154-L162 HydrophobicContact CG-CB 4.17Å; K154-L162 HydrophobicContact CG-CD2 4.15Å
155	E	92	Very high	94.6	Very high	61 Å²	61	49 Å²	49	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-39.8	175	-171.9	-166.3	146.4	0	0	111.6	Q151 L152 R179 G185 R257	Q151-E155 PolarHBondContact O-N 3.03Å; L152-E155 WeakPolarHBondContact O-CB 3.39Å; L152-E155 PolarHBondContact O-N 3.41Å; E155-R179 PolarHBondContact O-NH1 2.99Å; E155-R179 VanDerWaalsContact O-NH1 3.1Å; E155-R179 PolarHBondContact O-NH2 2.81Å; E155-G185 PolarHBondContact OE1-N 3.21Å; E155-R257 IonicContact OE1-NH2 3.98Å
156	I	92.4	Very high	94.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-36.9	176.4	-67.6	164	0	0	0	112	L152 L153 K154 R179 W187 L261 L329	L152-I156 HydrophobicContact CD1-CD1 4.43Å; L152-I156 HydrophobicContact CG-CD1 4.15Å; L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.17Å; L152-I156 PolarHBondContact O-N 3.44Å; L153-I156 PolarHBondContact O-N 2.67Å; K154-I156 VanDerWaalsContact C-N 3.28Å; K154-I156 PolarHBondContact O-N 3.25Å; I156-R179 PolarHBondContact O-NH2 2.85Å; I156-W187 HydrophobicContact CD1-CH2 3.92Å; I156-W187 HydrophobicContact CD1-CZ2 3.64Å; I156-W187 HydrophobicContact CG1-CZ2 3.78Å; I156-L261 HydrophobicContact CD1-CD1 3.94Å; I156-L261 HydrophobicContact CD1-CD2 4.23Å; I156-L329 HydrophobicContact CG2-CD1 4.25Å; I156-L329 HydrophobicContact CG2-CD2 3.98Å; I156-L329 WeakPolarHBondContact O-CD2 3.46Å
157	L	93.1	Very high	94.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-90.5	-16.8	-174.4	-69.7	171	0	0	0	115.1	L153 K154 I160 L162 F165 L175 F293 L329	L153-L157 HydrophobicContact CD1-CD1 3.98Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 3.97Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 WeakPolarHBondContact O-CG 3.49Å; L153-L157 PolarHBondContact O-N 3.46Å; K154-L157 PolarHBondContact O-N 2.93Å; K154-L157 VanDerWaalsContact O-N 3.16Å; L157-I160 WeakPolarHBondContact O-CB 3.31Å; L157-I160 PolarHBondContact O-N 3.29Å; L157-L162 HydrophobicContact CD1-CD1 3.65Å; L157-F165 HydrophobicContact CD1-CB 3.83Å; L157-F165 HydrophobicContact CD1-CD1 3.71Å; L157-F165 HydrophobicContact CD1-CD2 4.26Å; L157-F165 HydrophobicContact CD1-CE1 4.36Å; L157-F165 HydrophobicContact CD1-CG 3.65Å; L157-F165 HydrophobicContact CD2-CB 4.47Å; L157-F165 HydrophobicContact CD2-CD2 3.72Å; L157-F165 HydrophobicContact CD2-CE2 4.07Å; L157-F165 HydrophobicContact CD2-CG 3.99Å; L157-L175 HydrophobicContact CD2-CD2 4.47Å; L157-F293 HydrophobicContact CD2-CE1 4Å; L157-F293 HydrophobicContact CD2-CZ 4.46Å; L157-L329 HydrophobicContact CD2-CD2 4.03Å
158	E	90.3	Very high	94.7	Very high	117 Å²	117	53.4 Å²	53.4	55%	0.547	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	132.1	-177.4	-169.3	-176.4	179.7	0	0	113.5	K154 V177 R179	K154-E158 PolarHBondContact O-N 3.48Å; E158-V177 VanDerWaalsContact O-CG1 3.32Å; E158-V177 WeakPolarHBondContact O-CG1 3.46Å; E158-R179 PolarHBondContact O-NE 3.41Å; E158-R179 PolarHBondContact O-NH2 3.11Å
159	P	91.8	Very high	94.8	Very high	102 Å²	102	51.8 Å²	51.8	66%	0.662	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.3	8.3	6.3	36	-38.3	0	0	0	115.5	A161	P159-A161 PolarHBondContact O-N 2.95Å
160	I	93.4	Very high	94.8	Very high	42 Å²	42	53.4 Å²	53.4	22%	0.215	26%	0.263	C	S	.	.	S	Bend	trans	-72.5	128.8	-178	-52.6	-58.1	0	0	0	110.4	L157 E164 F165 L175 V177	L157-I160 WeakPolarHBondContact O-CB 3.31Å; L157-I160 PolarHBondContact O-N 3.29Å; I160-E164 HydrophobicContact CG2-CB 4.48Å; I160-F165 HydrophobicContact CG2-CB 4.4Å; I160-L175 HydrophobicContact CG1-CD1 4.33Å; I160-L175 HydrophobicContact CG1-CD2 4.23Å; I160-L175 HydrophobicContact CG2-CD2 4.21Å; I160-V177 HydrophobicContact CG1-CG1 4.15Å; I160-V177 HydrophobicContact CG1-CG2 3.76Å
161	A	95.5	Very high	94.7	Very high	49 Å²	49	55.7 Å²	55.7	41%	0.405	27%	0.273	S	S	.	.			trans	-66.7	141	177.9	0	0	0	0	0	111.2	P159 E163 E164 F165	P159-A161 PolarHBondContact O-N 2.95Å; A161-E163 VanDerWaalsContact C-N 3.33Å; A161-E163 PolarHBondContact O-N 2.94Å; A161-E164 HydrophobicContact CB-CB 4.16Å; A161-E164 WeakPolarHBondContact O-CB 3.33Å; A161-E164 PolarHBondContact O-N 3.32Å; A161-F165 PolarHBondContact O-N 2.92Å
162	L	95.9	Very high	94.6	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-42.2	-175.5	-173.6	61.6	0	0	0	112.3	E150 L153 K154 L157 E164 F165 F166	E150-L162 HydrophobicContact CG-CD2 3.75Å; L153-L162 HydrophobicContact CD2-CD1 3.6Å; L153-L162 HydrophobicContact CG-CD1 3.72Å; K154-L162 HydrophobicContact CG-CB 4.17Å; K154-L162 HydrophobicContact CG-CD2 4.15Å; L157-L162 HydrophobicContact CD1-CD1 3.65Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 2.79Å; L162-F165 PolarHBondContact O-N 2.87Å; L162-F166 HydrophobicContact CD1-CD2 3.99Å; L162-F166 HydrophobicContact CD1-CE2 3.55Å; L162-F166 HydrophobicContact CD1-CZ 4.49Å; L162-F166 HydrophobicContact CD2-CE2 4.41Å; L162-F166 HydrophobicContact CG-CD2 3.99Å; L162-F166 HydrophobicContact CG-CE2 3.82Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.13Å; L162-F166 PolarHBondContact O-N 3.14Å; L162-F166 VanDerWaalsContact O-N 3.12Å
163	E	96.7	Very high	94.6	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-36	174	-75.4	64.1	-150.1	0	0	112.6	K6 A161 R167	K6-E163 IonicContact NZ-OE1 3.75Å; K6-E163 PolarHBondContact NZ-OE1 2.96Å; A161-E163 VanDerWaalsContact C-N 3.33Å; A161-E163 PolarHBondContact O-N 2.94Å; E163-R167 VanDerWaalsContact O-CB 3.23Å; E163-R167 WeakPolarHBondContact O-CB 3.42Å; E163-R167 PolarHBondContact O-N 2.82Å; E163-R167 VanDerWaalsContact O-N 3.11Å
164	E	96.6	Very high	94.6	Very high	82 Å²	82	58.5 Å²	58.5	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-70.7	-46.9	177.6	-175.6	175.3	-171	0	0	110.9	I160 A161 L162 F166 R167 V168	I160-E164 HydrophobicContact CG2-CB 4.48Å; A161-E164 HydrophobicContact CB-CB 4.16Å; A161-E164 WeakPolarHBondContact O-CB 3.33Å; A161-E164 PolarHBondContact O-N 3.32Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 2.79Å; E164-F166 PolarHBondContact O-N 3.31Å; E164-R167 PolarHBondContact O-N 3.4Å; E164-R167 VanDerWaalsContact O-N 3.15Å; E164-V168 HydrophobicContact CG-CG2 4.08Å; E164-V168 WeakPolarHBondContact O-CB 3.41Å; E164-V168 WeakPolarHBondContact O-CG2 3.45Å; E164-V168 PolarHBondContact O-N 3.15Å
165	F	97.4	Very high	94.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-53.4	-50.8	175.6	169	-101.7	0	0	0	111.9	L157 I160 A161 L162 R167 N169 Y170 L175 F293 Y331	L157-F165 HydrophobicContact CD1-CB 3.83Å; L157-F165 HydrophobicContact CD1-CD1 3.71Å; L157-F165 HydrophobicContact CD1-CD2 4.26Å; L157-F165 HydrophobicContact CD1-CE1 4.36Å; L157-F165 HydrophobicContact CD1-CG 3.65Å; L157-F165 HydrophobicContact CD2-CB 4.47Å; L157-F165 HydrophobicContact CD2-CD2 3.72Å; L157-F165 HydrophobicContact CD2-CE2 4.07Å; L157-F165 HydrophobicContact CD2-CG 3.99Å; I160-F165 HydrophobicContact CG2-CB 4.4Å; A161-F165 PolarHBondContact O-N 2.92Å; L162-F165 PolarHBondContact O-N 2.87Å; F165-R167 VanDerWaalsContact C-N 3.34Å; F165-R167 PolarHBondContact O-N 3.31Å; F165-N169 HydrophobicContact CD2-CB 3.94Å; F165-N169 HydrophobicContact CE2-CB 4.24Å; F165-N169 PolarHBondContact O-N 2.66Å; F165-Y170 AromaticContact CE1-CD2 3.85Å; F165-Y170 HydrophobicContact CE1-CD2 3.85Å; F165-Y170 HydrophobicContact CE1-CG 4.16Å; F165-Y170 AromaticContact CZ-CD2 3.88Å; F165-Y170 HydrophobicContact CZ-CD2 3.88Å; F165-Y170 HydrophobicContact CZ-CG 4.41Å; F165-Y170 PolarHBondContact O-N 3.27Å; F165-L175 HydrophobicContact CD2-CD2 3.86Å; F165-F293 HydrophobicContact CE1-CZ 4.31Å; F165-F293 HydrophobicContact CE2-CE1 4.03Å; F165-F293 HydrophobicContact CE2-CZ 4.21Å; F165-F293 AromaticContact CZ-CE1 3.97Å; F165-F293 HydrophobicContact CZ-CE1 3.97Å; F165-F293 AromaticContact CZ-CZ 3.67Å; F165-F293 HydrophobicContact CZ-CZ 3.67Å; F165-Y331 AromaticContact CE2-CD1 3.73Å; F165-Y331 HydrophobicContact CE2-CD1 3.73Å; F165-Y331 HydrophobicContact CE2-CD2 4.18Å; F165-Y331 AromaticContact CE2-CE1 3.93Å; F165-Y331 HydrophobicContact CE2-CE1 3.93Å; F165-Y331 HydrophobicContact CE2-CE2 4.39Å; F165-Y331 AromaticContact CE2-CG 3.85Å; F165-Y331 HydrophobicContact CE2-CG 3.85Å; F165-Y331 HydrophobicContact CZ-CD1 4.4Å; F165-Y331 HydrophobicContact CZ-CD2 4.26Å; F165-Y331 HydrophobicContact CZ-CE1 4.26Å; F165-Y331 HydrophobicContact CZ-CE2 4.15Å; F165-Y331 HydrophobicContact CZ-CG 4.38Å
166	F	96.9	Very high	94.8	Very high	41 Å²	41	55.7 Å²	55.7	18%	0.18	28%	0.281	C	S	.	.	I	π-helix	trans	-66.5	-33.8	179.4	-79	-61.7	0	0	0	113.3	L153 L162 E164 Y170 Y264 F265	L153-F166 HydrophobicContact CD2-CE2 4.2Å; L153-F166 HydrophobicContact CD2-CZ 4.02Å; L162-F166 HydrophobicContact CD1-CD2 3.99Å; L162-F166 HydrophobicContact CD1-CE2 3.55Å; L162-F166 HydrophobicContact CD1-CZ 4.49Å; L162-F166 HydrophobicContact CD2-CE2 4.41Å; L162-F166 HydrophobicContact CG-CD2 3.99Å; L162-F166 HydrophobicContact CG-CE2 3.82Å; L162-F166 VanDerWaalsContact O-CD2 3.29Å; L162-F166 WeakPolarHBondContact O-CD2 3.13Å; L162-F166 PolarHBondContact O-N 3.14Å; L162-F166 VanDerWaalsContact O-N 3.12Å; E164-F166 PolarHBondContact O-N 3.31Å; F166-Y170 AromaticContact CD1-CD1 3.61Å; F166-Y170 HydrophobicContact CD1-CD1 3.61Å; F166-Y170 HydrophobicContact CD1-CD2 4.41Å; F166-Y170 HydrophobicContact CD1-CE1 4.17Å; F166-Y170 AromaticContact CD1-CG 3.72Å; F166-Y170 HydrophobicContact CD1-CG 3.72Å; F166-Y170 AromaticContact CE1-CD1 3.97Å; F166-Y170 HydrophobicContact CE1-CD1 3.97Å; F166-Y170 HydrophobicContact CE1-CD2 4.28Å; F166-Y170 HydrophobicContact CE1-CE1 4.13Å; F166-Y170 HydrophobicContact CE1-CE2 4.46Å; F166-Y170 HydrophobicContact CE1-CG 4.02Å; F166-Y264 HydrophobicContact CE2-CE1 4.46Å; F166-Y264 HydrophobicContact CZ-CE1 4.24Å; F166-F265 HydrophobicContact CE1-CE1 4.02Å; F166-F265 HydrophobicContact CE1-CZ 4.35Å; F166-F265 HydrophobicContact CZ-CE1 4.06Å; F166-F265 HydrophobicContact CZ-CZ 4.05Å
167	R	96.5	Very high	94.8	Very high	163 Å²	163	55.9 Å²	55.9	62%	0.615	28%	0.282	S	S	*	.	I	π-helix	trans	-73.4	-44.3	178.6	-176.8	-178.1	64.8	-167.2	-3.9	112.2	E163 E164 F165 K172	E163-R167 VanDerWaalsContact O-CB 3.23Å; E163-R167 WeakPolarHBondContact O-CB 3.42Å; E163-R167 PolarHBondContact O-N 2.82Å; E163-R167 VanDerWaalsContact O-N 3.11Å; E164-R167 PolarHBondContact O-N 3.4Å; E164-R167 VanDerWaalsContact O-N 3.15Å; F165-R167 VanDerWaalsContact C-N 3.34Å; F165-R167 PolarHBondContact O-N 3.31Å; R167-K172 PolarHBondContact O-NZ 3.42Å
168	V	95.1	Very high	94.7	Very high	59 Å²	59	63.2 Å²	63.2	36%	0.358	31%	0.314	S	S	.	.	I	π-helix	trans	-102.5	-46.1	-165.5	-177.9	0	0	0	0	112.7	E164 K172 T173	E164-V168 HydrophobicContact CG-CG2 4.08Å; E164-V168 WeakPolarHBondContact O-CB 3.41Å; E164-V168 WeakPolarHBondContact O-CG2 3.45Å; E164-V168 PolarHBondContact O-N 3.15Å; V168-K172 WeakPolarHBondContact O-CB 3.46Å; V168-T173 PolarHBondContact O-OG1 3.02Å
169	N	95.9	Very high	94.4	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.07	30%	0.295	C	S	.	.	I	π-helix	trans	-103.8	-45.9	-165.6	-57.1	103.7	0	0	0	113.2	F165 Q171 K172 T173 L175 Y331	F165-N169 HydrophobicContact CD2-CB 3.94Å; F165-N169 HydrophobicContact CE2-CB 4.24Å; F165-N169 PolarHBondContact O-N 2.66Å; N169-Q171 PolarHBondContact O-N 2.85Å; N169-K172 WeakPolarHBondContact O-CA 3.32Å; N169-K172 PolarHBondContact O-N 2.85Å; N169-T173 PolarHBondContact ND2-OG1 3.35Å; N169-T173 PolarHBondContact O-N 3.44Å; N169-L175 HydrophobicContact CB-CB 4.08Å; N169-L175 HydrophobicContact CB-CD2 4.37Å; N169-Y331 HydrophobicContact CB-CD1 4.36Å; N169-Y331 HydrophobicContact CB-CE1 4.43Å; N169-Y331 WeakPolarHBondContact O-CE1 3.45Å
170	Y	96.2	Very high	93.3	Very high	34 Å²	34	61.2 Å²	61.2	13%	0.133	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	121	-173.8	-176.7	-117.3	0	0	0	112.3	F165 F166 K172 F265 F357 N358	F165-Y170 AromaticContact CE1-CD2 3.85Å; F165-Y170 HydrophobicContact CE1-CD2 3.85Å; F165-Y170 HydrophobicContact CE1-CG 4.16Å; F165-Y170 AromaticContact CZ-CD2 3.88Å; F165-Y170 HydrophobicContact CZ-CD2 3.88Å; F165-Y170 HydrophobicContact CZ-CG 4.41Å; F165-Y170 PolarHBondContact O-N 3.27Å; F166-Y170 AromaticContact CD1-CD1 3.61Å; F166-Y170 HydrophobicContact CD1-CD1 3.61Å; F166-Y170 HydrophobicContact CD1-CD2 4.41Å; F166-Y170 HydrophobicContact CD1-CE1 4.17Å; F166-Y170 AromaticContact CD1-CG 3.72Å; F166-Y170 HydrophobicContact CD1-CG 3.72Å; F166-Y170 AromaticContact CE1-CD1 3.97Å; F166-Y170 HydrophobicContact CE1-CD1 3.97Å; F166-Y170 HydrophobicContact CE1-CD2 4.28Å; F166-Y170 HydrophobicContact CE1-CE1 4.13Å; F166-Y170 HydrophobicContact CE1-CE2 4.46Å; F166-Y170 HydrophobicContact CE1-CG 4.02Å; Y170-K172 WeakPolarHBondContact O-CG 3.44Å; Y170-K172 PolarHBondContact O-N 2.82Å; Y170-F265 HydrophobicContact CE2-CE1 4.1Å; Y170-F357 AromaticContact CE2-CE2 3.85Å; Y170-F357 HydrophobicContact CE2-CE2 3.85Å; Y170-F357 HydrophobicContact CE2-CZ 4.27Å; Y170-N358 PolarHBondContact OH-ND2 3.27Å
171	Q	93.4	Very high	91.9	Very high	97 Å²	97	61.9 Å²	61.9	45%	0.453	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	10	-174	-60	-172.5	-5.4	0	0	115.9	N169 D291 Y331 N358	N169-Q171 PolarHBondContact O-N 2.85Å; Q171-D291 WeakPolarHBondContact CG-OD2 3.33Å; Q171-D291 PolarHBondContact NE2-OD2 3.32Å; Q171-Y331 PolarHBondContact N-OH 3.38Å; Q171-N358 PolarHBondContact NE2-ND2 3.23Å
172	K	93.1	Very high	90	Very high	90 Å²	90	63.2 Å²	63.2	39%	0.391	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-64.2	-172.8	-68.4	169.5	-169.2	-175.2	0	112.2	R167 V168 N169 Y170	R167-K172 PolarHBondContact O-NZ 3.42Å; V168-K172 WeakPolarHBondContact O-CB 3.46Å; N169-K172 WeakPolarHBondContact O-CA 3.32Å; N169-K172 PolarHBondContact O-N 2.85Å; Y170-K172 WeakPolarHBondContact O-CG 3.44Å; Y170-K172 PolarHBondContact O-N 2.82Å
173	T	94.1	Very high	88.1	Confident	61 Å²	61	71.1 Å²	71.1	37%	0.374	36%	0.357	S	S	.	.	S	Bend	trans	-138.1	144.8	-171.1	58.3	0	0	0	0	112	V168 N169	V168-T173 PolarHBondContact O-OG1 3.02Å; N169-T173 PolarHBondContact ND2-OG1 3.35Å; N169-T173 PolarHBondContact O-N 3.44Å
174	P	95.9	Very high	86	Confident	37 Å²	37	66.3 Å²	66.3	24%	0.24	34%	0.335	C	S	.	.			trans	-57.6	150.4	170.6	-21.9	32.4	0	0	0	112.1	I305 Y331 F336	P174-I305 HydrophobicContact CB-CD1 3.95Å; P174-I305 HydrophobicContact CB-CG2 4.49Å; P174-I305 HydrophobicContact CG-CD1 4.46Å; P174-I305 HydrophobicContact CG-CG2 3.9Å; P174-Y331 CarbonylContact C-O 3.59Å; P174-Y331 VanDerWaalsContact CA-O 3.24Å; P174-Y331 WeakPolarHBondContact CA-O 3.22Å; P174-F336 HydrophobicContact CG-CD1 3.85Å; P174-F336 HydrophobicContact CG-CE1 3.72Å; P174-F336 HydrophobicContact CG-CG 4.45Å; P174-F336 HydrophobicContact CG-CZ 4.25Å
175	L	95.9	Very high	84.3	Confident	22 Å²	22	63.2 Å²	63.2	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.9	178.3	171.4	66.3	0	0	0	109.7	L157 I160 F165 N169 V177 L330 Y331	L157-L175 HydrophobicContact CD2-CD2 4.47Å; I160-L175 HydrophobicContact CG1-CD1 4.33Å; I160-L175 HydrophobicContact CG1-CD2 4.23Å; I160-L175 HydrophobicContact CG2-CD2 4.21Å; F165-L175 HydrophobicContact CD2-CD2 3.86Å; N169-L175 HydrophobicContact CB-CB 4.08Å; N169-L175 HydrophobicContact CB-CD2 4.37Å; L175-V177 HydrophobicContact CD1-CG2 4.32Å; L175-V177 HydrophobicContact CD2-CG2 3.97Å; L175-V177 HydrophobicContact CG-CG2 3.83Å; L175-L330 CarbonylContact O-C 3.54Å; L175-L330 WeakPolarHBondContact O-CA 3.36Å; L175-Y331 HydrophobicContact CB-CD1 4.35Å; L175-Y331 PolarHBondContact N-O 3.26Å; L175-Y331 PolarHBondContact O-N 3.25Å
176	H	95.3	Very high	83	Confident	50 Å²	50	68.4 Å²	68.4	23%	0.231	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.6	171.1	172.4	-152.4	0	0	0	109.5	K178 V322 L324 D328 L330	H176-K178 WeakPolarHBondContact CE1-CE 3.3Å; H176-K178 WeakPolarHBondContact CE1-CG 3.27Å; H176-K178 WeakPolarHBondContact NE2-CG 3.28Å; H176-V322 HydrophobicContact CB-CG1 4.15Å; H176-V322 HydrophobicContact CB-CG2 4.28Å; H176-V322 WeakPolarHBondContact ND1-CG1 3.43Å; H176-L324 VanDerWaalsContact CD2-CD2 3.49Å; H176-L324 WeakPolarHBondContact CD2-CD2 3.44Å; H176-L324 WeakPolarHBondContact NE2-CD2 3.08Å; H176-D328 IonicContact NE2-OD2 3.13Å; H176-L330 HydrophobicContact CB-CD1 4.27Å
177	V	93	Very high	82.6	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	107.4	176.4	-167.4	0	0	0	0	108.6	E158 I160 L175 D328 L329	E158-V177 VanDerWaalsContact O-CG1 3.32Å; E158-V177 WeakPolarHBondContact O-CG1 3.46Å; I160-V177 HydrophobicContact CG1-CG1 4.15Å; I160-V177 HydrophobicContact CG1-CG2 3.76Å; L175-V177 HydrophobicContact CD1-CG2 4.32Å; L175-V177 HydrophobicContact CD2-CG2 3.97Å; L175-V177 HydrophobicContact CG-CG2 3.83Å; V177-D328 WeakPolarHBondContact O-CA 3.27Å; V177-L329 HydrophobicContact CB-CB 4.19Å; V177-L329 HydrophobicContact CG2-CB 4.5Å; V177-L329 HydrophobicContact CG2-CD2 4.18Å; V177-L329 PolarHBondContact N-O 2.89Å; V177-L329 PolarHBondContact O-N 3.2Å
178	K	90.2	Very high	82.3	Confident	155 Å²	155	59 Å²	59	67%	0.674	31%	0.313	S	S	*	.			trans	-80.8	134.7	175.3	-67.8	175.9	-178.1	171.5	0	110.1	H176 D328	H176-K178 WeakPolarHBondContact CE1-CE 3.3Å; H176-K178 WeakPolarHBondContact CE1-CG 3.27Å; H176-K178 WeakPolarHBondContact NE2-CG 3.28Å; K178-D328 VanDerWaalsContact CA-OD1 3.26Å; K178-D328 WeakPolarHBondContact CA-OD1 3.47Å
179	R	83.4	Confident	82	Confident	42 Å²	42	58.5 Å²	58.5	16%	0.158	31%	0.309	C	S	.	.			trans	-118.8	146.1	174.8	-61.5	-161.7	-176.1	-161.1	6.2	112.1	E155 I156 E158 G327 D328	E155-R179 PolarHBondContact O-NH1 2.99Å; E155-R179 VanDerWaalsContact O-NH1 3.1Å; E155-R179 PolarHBondContact O-NH2 2.81Å; I156-R179 PolarHBondContact O-NH2 2.85Å; E158-R179 PolarHBondContact O-NE 3.41Å; E158-R179 PolarHBondContact O-NH2 3.11Å; R179-G327 VanDerWaalsContact CD-O 3.29Å; R179-G327 WeakPolarHBondContact CD-O 3.48Å; R179-G327 WeakPolarHBondContact CG-O 3.28Å; R179-D328 PolarHBondContact N-OD1 3.12Å
180	S	68.5	Low	81.8	Confident	134 Å²	134	61.2 Å²	61.2	94%	0.937	32%	0.318	S	S	*	.	S	Bend	trans	-88.8	-12.8	175	53.7	0	0	0	0	113.4
181	S	64.4	Low	81.6	Confident	57 Å²	57	62.7 Å²	62.7	40%	0.399	33%	0.334	S	S	.	.	S	Bend	trans	-133.2	148.9	178.6	73.4	0	0	0	0	111.4	K183	S181-K183 PolarHBondContact O-N 2.93Å
182	S	56.4	Low	81.4	Confident	77 Å²	77	61.2 Å²	61.2	54%	0.538	33%	0.329	S	S	.	.	S	Bend	trans	-68.5	3.7	177.1	52.4	0	0	0	0	114.4	C184	S182-C184 PolarHBondContact O-N 2.83Å; S182-C184 VanDerWaalsContact O-N 3.08Å
183	K	54.7	Low	81.4	Confident	171 Å²	171	57 Å²	57	74%	0.743	31%	0.31	S	S	*	.			trans	-75.5	9	-168.2	-70.4	-173.1	173.3	-176	0	115.9	S181 G185	S181-K183 PolarHBondContact O-N 2.93Å; K183-G185 WeakPolarHBondContact O-CA 3.34Å; K183-G185 PolarHBondContact O-N 3.27Å
184	C	53.4	Low	81.3	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.02	31%	0.312	C	S	.	.	S	Bend	trans	-70.3	82.6	167.5	-171.7	0	0	0	0	108.8	S182 E186	S182-C184 PolarHBondContact O-N 2.83Å; S182-C184 VanDerWaalsContact O-N 3.08Å; C184-E186 PolarHBondContact O-N 3.15Å
185	G	60.6	Low	81.2	Confident	17 Å²	17	62.8 Å²	62.8	18%	0.175	33%	0.327	C	S	.	.				-58.6	121.2	-129.8	0	0	0	0	0	114	E155 K183 W187 R257	E155-G185 PolarHBondContact OE1-N 3.21Å; K183-G185 WeakPolarHBondContact O-CA 3.34Å; K183-G185 PolarHBondContact O-N 3.27Å; G185-W187 PolarHBondContact O-N 2.84Å; G185-W187 VanDerWaalsContact O-N 3.1Å; G185-R257 PolarHBondContact O-NH1 2.82Å; G185-R257 PolarHBondContact O-NH2 3.18Å; G185-R257 VanDerWaalsContact O-NH2 3.16Å
186	E	70.7	Confident	81.1	Confident	109 Å²	109	62.3 Å²	62.3	51%	0.509	32%	0.324	S	S	.	.			trans	-20	103.6	-173.5	-67.3	-174.9	-167.4	0	0	113.2	C184 N189 R253	C184-E186 PolarHBondContact O-N 3.15Å; E186-N189 PolarHBondContact OE2-ND2 2.82Å; E186-R253 PolarHBondContact O-NE 2.72Å; E186-R253 PolarHBondContact O-NH2 3.32Å
187	W	88.3	Confident	81	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.011	31%	0.314	C	S	.	.	S	Bend	trans	-81.2	-39.3	177.9	-74.9	66.4	0	0	0	110	L152 I156 G185 L254 R257 V258 L261 L295 L353 I355	L152-W187 HydrophobicContact CD1-CH2 4.32Å; L152-W187 HydrophobicContact CD1-CZ2 3.93Å; L152-W187 HydrophobicContact CD2-CH2 4.41Å; I156-W187 HydrophobicContact CD1-CH2 3.92Å; I156-W187 HydrophobicContact CD1-CZ2 3.64Å; I156-W187 HydrophobicContact CG1-CZ2 3.78Å; G185-W187 PolarHBondContact O-N 2.84Å; G185-W187 VanDerWaalsContact O-N 3.1Å; W187-L254 HydrophobicContact CB-CD2 4.15Å; W187-L254 HydrophobicContact CE3-CD2 3.68Å; W187-L254 WeakPolarHBondContact O-CD2 3.42Å; W187-R257 HydrophobicContact CE3-CB 4.41Å; W187-R257 VanDerWaalsContact CG-NH1 3.26Å; W187-R257 HydrophobicContact CH2-CB 3.65Å; W187-R257 HydrophobicContact CH2-CG 4.2Å; W187-R257 HydrophobicContact CZ2-CB 4.5Å; W187-R257 HydrophobicContact CZ3-CB 3.59Å; W187-R257 HydrophobicContact CZ3-CG 4.32Å; W187-V258 HydrophobicContact CZ3-CG1 4.42Å; W187-L261 HydrophobicContact CH2-CD1 4.42Å; W187-L295 HydrophobicContact CD2-CD1 4.25Å; W187-L295 HydrophobicContact CG-CD1 4.38Å; W187-L353 HydrophobicContact CB-CD1 3.87Å; W187-I355 HydrophobicContact CE3-CD1 4.11Å; W187-I355 HydrophobicContact CH2-CD1 3.9Å; W187-I355 HydrophobicContact CZ2-CD1 4.49Å; W187-I355 HydrophobicContact CZ3-CD1 3.69Å
188	L	89.2	Confident	81.1	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	33%	0.333	C	S	.	.			trans	-152.9	141.3	-176	-174	66.8	0	0	0	108.6	L192 V193 L247 A273 Q297 L351 L353	L188-L192 HydrophobicContact CD1-CB 4.16Å; L188-L192 HydrophobicContact CD1-CD2 3.62Å; L188-L192 HydrophobicContact CD1-CG 4.4Å; L188-V193 HydrophobicContact CD1-CG2 3.69Å; L188-V193 HydrophobicContact CD2-CG2 3.74Å; L188-V193 HydrophobicContact CG-CG2 3.68Å; L188-L247 HydrophobicContact CD1-CD2 4.44Å; L188-L247 HydrophobicContact CD2-CD1 4.13Å; L188-A273 HydrophobicContact CD2-CB 3.45Å; L188-A273 VanDerWaalsContact CD2-CB 3.45Å; L188-Q297 HydrophobicContact CB-CG 4.39Å; L188-Q297 VanDerWaalsContact N-OE1 3.15Å; L188-Q297 WeakPolarHBondContact O-CB 3.49Å; L188-Q297 WeakPolarHBondContact O-CG 3.35Å; L188-Q297 PolarHBondContact O-OE1 2.88Å; L188-L351 HydrophobicContact CD2-CD1 4.16Å; L188-L351 HydrophobicContact CD2-CD2 4.41Å; L188-L351 HydrophobicContact CG-CD2 4.2Å; L188-L353 HydrophobicContact CB-CD1 3.83Å; L188-L353 HydrophobicContact CD2-CD1 4.23Å
189	N	90.5	Very high	81.2	Confident	49 Å²	49	64.4 Å²	64.4	26%	0.262	34%	0.336	S	S	.	.			trans	-135.2	164.6	170.3	62.2	38.1	0	0	0	109.8	E186 S191 L192 V193 E298	E186-N189 PolarHBondContact OE2-ND2 2.82Å; N189-S191 PolarHBondContact O-N 2.85Å; N189-S191 WeakPolarHBondContact OD1-CB 3.29Å; N189-S191 PolarHBondContact OD1-N 2.75Å; N189-L192 WeakPolarHBondContact O-CB 3.45Å; N189-L192 PolarHBondContact O-N 3.15Å; N189-L192 PolarHBondContact OD1-N 2.59Å; N189-V193 PolarHBondContact O-N 2.92Å; N189-E298 WeakPolarHBondContact CA-OE1 3.4Å; N189-E298 VanDerWaalsContact CB-OE1 3.28Å; N189-E298 WeakPolarHBondContact CB-OE1 3.49Å
190	Y	91.3	Very high	81.7	Confident	70 Å²	70	66 Å²	66	28%	0.275	35%	0.345	S	S	.	.	H	α-helix	trans	-57.1	-34.4	-177.1	-177.5	-88.2	0	0	0	112	V193 K194 Y236 L275 E298 H349	Y190-V193 PolarHBondContact O-N 2.84Å; Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.23Å; Y190-K194 PolarHBondContact O-N 2.8Å; Y190-Y236 HydrophobicContact CE2-CE1 4.35Å; Y190-L275 HydrophobicContact CD2-CD1 3.74Å; Y190-L275 HydrophobicContact CD2-CD2 3.99Å; Y190-L275 HydrophobicContact CE2-CD1 3.97Å; Y190-L275 HydrophobicContact CE2-CD2 3.77Å; Y190-L275 HydrophobicContact CE2-CG 4.47Å; Y190-E298 PolarHBondContact N-OE1 3.27Å; Y190-H349 AromaticContact CD2-CD2 3.83Å; Y190-H349 AromaticContact CD2-NE2 3.83Å
191	S	91.1	Very high	82.8	Confident	65 Å²	65	65.1 Å²	65.1	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175.4	-169.6	0	0	0	0	112.2	N189 K194 K195	N189-S191 PolarHBondContact O-N 2.85Å; N189-S191 WeakPolarHBondContact OD1-CB 3.29Å; N189-S191 PolarHBondContact OD1-N 2.75Å; S191-K194 PolarHBondContact O-N 3.21Å; S191-K195 WeakPolarHBondContact O-CG 3.48Å; S191-K195 PolarHBondContact O-N 3.4Å
192	L	89.6	Confident	84.2	Confident	66 Å²	66	62.5 Å²	62.5	35%	0.346	31%	0.306	S	S	.	.	H	α-helix	trans	-68.3	-44.3	175.8	-158.4	89.3	0	0	0	111.4	L188 N189 K194 K195 L196	L188-L192 HydrophobicContact CD1-CB 4.16Å; L188-L192 HydrophobicContact CD1-CD2 3.62Å; L188-L192 HydrophobicContact CD1-CG 4.4Å; N189-L192 WeakPolarHBondContact O-CB 3.45Å; N189-L192 PolarHBondContact O-N 3.15Å; N189-L192 PolarHBondContact OD1-N 2.59Å; L192-K194 VanDerWaalsContact C-N 3.26Å; L192-K194 PolarHBondContact O-N 3.18Å; L192-K195 PolarHBondContact O-N 3.46Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 PolarHBondContact O-N 2.74Å
193	V	92.4	Very high	86	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-42.8	174.3	176.7	0	0	0	0	110.4	L188 N189 Y190 L196 V197 F244 L275 L351	L188-V193 HydrophobicContact CD1-CG2 3.69Å; L188-V193 HydrophobicContact CD2-CG2 3.74Å; L188-V193 HydrophobicContact CG-CG2 3.68Å; N189-V193 PolarHBondContact O-N 2.92Å; Y190-V193 PolarHBondContact O-N 2.84Å; V193-L196 WeakPolarHBondContact O-CB 3.41Å; V193-L196 PolarHBondContact O-N 2.64Å; V193-V197 WeakPolarHBondContact O-CG2 3.42Å; V193-V197 PolarHBondContact O-N 3.41Å; V193-F244 HydrophobicContact CG1-CD2 4.2Å; V193-F244 HydrophobicContact CG1-CE1 4.39Å; V193-F244 HydrophobicContact CG1-CE2 3.37Å; V193-F244 HydrophobicContact CG1-CZ 3.49Å; V193-F244 VanDerWaalsContact CG1-CZ 3.49Å; V193-L275 HydrophobicContact CG1-CD2 3.97Å; V193-L351 HydrophobicContact CG2-CD1 4.19Å; V193-L351 HydrophobicContact CG2-CD2 4.19Å
194	K	93.5	Very high	87.9	Confident	96 Å²	96	55.2 Å²	55.2	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-51.9	177.4	-174.7	175.1	178.8	-173.7	0	112	Y190 S191 L192 L196 V197 D198 W233	Y190-K194 VanDerWaalsContact O-CB 3.28Å; Y190-K194 WeakPolarHBondContact O-CB 3.23Å; Y190-K194 PolarHBondContact O-N 2.8Å; S191-K194 PolarHBondContact O-N 3.21Å; L192-K194 VanDerWaalsContact C-N 3.26Å; L192-K194 PolarHBondContact O-N 3.18Å; K194-L196 PolarHBondContact O-N 3.43Å; K194-V197 PolarHBondContact O-N 2.97Å; K194-D198 VanDerWaalsContact CE-OD2 3.25Å; K194-D198 WeakPolarHBondContact CE-OD2 3.44Å; K194-D198 WeakPolarHBondContact CG-OD2 3.38Å; K194-D198 WeakPolarHBondContact O-CB 3.22Å; K194-D198 PolarHBondContact O-N 3.32Å; K194-W233 HydrophobicContact CB-CZ2 4.17Å; K194-W233 HydrophobicContact CG-CZ2 3.98Å
195	K	93.8	Very high	89.7	Confident	124 Å²	124	57.3 Å²	57.3	54%	0.539	29%	0.287	S	S	.	.	H	α-helix	trans	-57.4	-34.8	176.3	-73.1	171.3	-178.2	178.2	0	112.8	S191 L192 K199	S191-K195 WeakPolarHBondContact O-CG 3.48Å; S191-K195 PolarHBondContact O-N 3.4Å; L192-K195 PolarHBondContact O-N 3.46Å; K195-K199 VanDerWaalsContact O-CB 3.29Å; K195-K199 WeakPolarHBondContact O-CB 3.33Å; K195-K199 WeakPolarHBondContact O-CG 3.25Å; K195-K199 PolarHBondContact O-N 2.98Å; K195-K199 VanDerWaalsContact O-N 3.11Å
196	L	92.7	Very high	91.1	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-51.3	177.7	-166.5	168.3	0	0	0	110.7	L192 V193 K194 D198 K199 E200 L202 L247 F250	L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 PolarHBondContact O-N 2.74Å; V193-L196 WeakPolarHBondContact O-CB 3.41Å; V193-L196 PolarHBondContact O-N 2.64Å; K194-L196 PolarHBondContact O-N 3.43Å; L196-D198 VanDerWaalsContact C-N 3.3Å; L196-D198 PolarHBondContact O-N 3.14Å; L196-K199 PolarHBondContact O-N 3.4Å; L196-E200 HydrophobicContact CD2-CB 4.17Å; L196-E200 HydrophobicContact CD2-CG 4.01Å; L196-E200 HydrophobicContact CG-CG 3.95Å; L196-E200 VanDerWaalsContact O-CB 3.24Å; L196-E200 WeakPolarHBondContact O-CB 3.31Å; L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 3.39Å; L196-L202 HydrophobicContact CD2-CD1 3.69Å; L196-L202 HydrophobicContact CD2-CD2 3.79Å; L196-L202 HydrophobicContact CD2-CG 4.25Å; L196-L247 HydrophobicContact CD1-CD2 3.34Å; L196-F250 HydrophobicContact CD1-CB 3.81Å; L196-F250 HydrophobicContact CD1-CG 4.46Å; L196-F250 HydrophobicContact CD2-CB 4.36Å; L196-F250 HydrophobicContact CD2-CD2 4.46Å; L196-F250 HydrophobicContact CD2-CG 4.32Å; L196-F250 HydrophobicContact CG-CB 3.97Å; L196-F250 HydrophobicContact CG-CG 4.45Å
197	V	94.3	Very high	92.2	Very high	4 Å²	4	56 Å²	56	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-40.5	175.5	174.1	0	0	0	0	112.2	V193 K194 L202 A229 V232 W233 F244	V193-V197 WeakPolarHBondContact O-CG2 3.42Å; V193-V197 PolarHBondContact O-N 3.41Å; K194-V197 PolarHBondContact O-N 2.97Å; V197-L202 HydrophobicContact CG2-CD1 4.32Å; V197-A229 HydrophobicContact CG1-CB 3.87Å; V197-V232 HydrophobicContact CG1-CB 4.03Å; V197-V232 HydrophobicContact CG1-CG1 3.98Å; V197-V232 HydrophobicContact CG1-CG2 4.48Å; V197-V232 HydrophobicContact CG2-CG1 4.39Å; V197-W233 HydrophobicContact CB-CZ2 3.63Å; V197-W233 HydrophobicContact CG1-CZ2 3.79Å; V197-W233 HydrophobicContact CG2-CH2 4.26Å; V197-W233 HydrophobicContact CG2-CZ2 3.76Å; V197-F244 HydrophobicContact CG2-CE1 3.5Å; V197-F244 VanDerWaalsContact CG2-CE1 3.5Å; V197-F244 HydrophobicContact CG2-CZ 3.46Å; V197-F244 VanDerWaalsContact CG2-CZ 3.46Å
198	D	93.5	Very high	92.5	Very high	77 Å²	77	55.9 Å²	55.9	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-75	-23.1	-174.9	-64.4	-9.7	0	0	0	113	K194 L196 W233	K194-D198 VanDerWaalsContact CE-OD2 3.25Å; K194-D198 WeakPolarHBondContact CE-OD2 3.44Å; K194-D198 WeakPolarHBondContact CG-OD2 3.38Å; K194-D198 WeakPolarHBondContact O-CB 3.22Å; K194-D198 PolarHBondContact O-N 3.32Å; L196-D198 VanDerWaalsContact C-N 3.3Å; L196-D198 PolarHBondContact O-N 3.14Å; D198-W233 PolarHBondContact OD1-NE1 2.95Å
199	K	93.2	Very high	92.7	Very high	172 Å²	172	55.9 Å²	55.9	75%	0.748	28%	0.276	S	S	*	.	H	α-helix	trans	-116.1	-33.5	-173.8	-64.7	-170.1	172	-159.5	0	115.7	K195 L196	K195-K199 VanDerWaalsContact O-CB 3.29Å; K195-K199 WeakPolarHBondContact O-CB 3.33Å; K195-K199 WeakPolarHBondContact O-CG 3.25Å; K195-K199 PolarHBondContact O-N 2.98Å; K195-K199 VanDerWaalsContact O-N 3.11Å; L196-K199 PolarHBondContact O-N 3.4Å
200	E	93.1	Very high	92.8	Very high	74 Å²	74	53.8 Å²	53.8	35%	0.346	27%	0.265	S	S	.	.	S	Bend	trans	-82.2	156	-171.1	-63.6	-61.9	153.7	0	0	113.2	L196 L202 F250	L196-E200 HydrophobicContact CD2-CB 4.17Å; L196-E200 HydrophobicContact CD2-CG 4.01Å; L196-E200 HydrophobicContact CG-CG 3.95Å; L196-E200 VanDerWaalsContact O-CB 3.24Å; L196-E200 WeakPolarHBondContact O-CB 3.31Å; L196-E200 WeakPolarHBondContact O-CG 3.35Å; L196-E200 PolarHBondContact O-N 3.39Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 HydrophobicContact CB-CD2 3.86Å; E200-L202 HydrophobicContact CB-CG 3.98Å; E200-L202 PolarHBondContact O-N 3.44Å; E200-F250 HydrophobicContact CB-CD1 4.01Å; E200-F250 HydrophobicContact CB-CE1 4.34Å; E200-F250 HydrophobicContact CG-CB 4.25Å; E200-F250 HydrophobicContact CG-CD1 3.81Å; E200-F250 HydrophobicContact CG-CG 4.3Å
201	F	91.8	Very high	92.6	Very high	117 Å²	117	50.6 Å²	50.6	51%	0.513	25%	0.253	S	S	.	.			trans	-85.2	75.4	176.5	-151	-69.4	0	0	0	111.1	F203 R226	F201-F203 HydrophobicContact CD1-CD2 4.21Å; F201-F203 AromaticContact CD1-CE2 3.54Å; F201-F203 HydrophobicContact CD1-CE2 3.54Å; F201-F203 HydrophobicContact CD1-CZ 4.1Å; F201-F203 AromaticContact CE1-CE2 3.57Å; F201-F203 HydrophobicContact CE1-CE2 3.57Å; F201-F203 AromaticContact CE1-CZ 3.62Å; F201-F203 HydrophobicContact CE1-CZ 3.62Å; F201-R226 HydrophobicContact CD1-CG 4.37Å; F201-R226 HydrophobicContact CE1-CG 3.99Å; F201-R226 VanDerWaalsContact CE2-NH1 3.29Å
202	L	93.9	Very high	92	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.258	C	S	.	.			trans	-84.1	152.2	-175.4	-57.1	179.2	0	0	0	113.1	L196 V197 E200 H207 V208 R226 A227 F244 F250	L196-L202 HydrophobicContact CD2-CD1 3.69Å; L196-L202 HydrophobicContact CD2-CD2 3.79Å; L196-L202 HydrophobicContact CD2-CG 4.25Å; V197-L202 HydrophobicContact CG2-CD1 4.32Å; E200-L202 VanDerWaalsContact C-N 3.33Å; E200-L202 HydrophobicContact CB-CD2 3.86Å; E200-L202 HydrophobicContact CB-CG 3.98Å; E200-L202 PolarHBondContact O-N 3.44Å; L202-H207 HydrophobicContact CB-CB 4.48Å; L202-H207 HydrophobicContact CD2-CB 3.99Å; L202-V208 HydrophobicContact CB-CG2 4Å; L202-V208 HydrophobicContact CD1-CG2 3.66Å; L202-V208 HydrophobicContact CG-CG2 4.27Å; L202-R226 WeakPolarHBondContact O-CG 3.28Å; L202-A227 HydrophobicContact CB-CB 3.96Å; L202-A227 PolarHBondContact O-N 2.82Å; L202-F244 HydrophobicContact CD1-CE1 4.44Å; L202-F250 HydrophobicContact CD2-CD1 4.38Å; L202-F250 HydrophobicContact CD2-CD2 4.48Å; L202-F250 HydrophobicContact CD2-CE1 3.88Å; L202-F250 HydrophobicContact CD2-CE2 4Å; L202-F250 HydrophobicContact CD2-CZ 3.66Å
203	F	94.4	Very high	91	Very high	77 Å²	77	54 Å²	54	34%	0.338	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-129.7	139.8	175.6	-77.7	-92.6	0	0	0	109.2	F201 Q206 H207 V208 G225 R226	F201-F203 HydrophobicContact CD1-CD2 4.21Å; F201-F203 AromaticContact CD1-CE2 3.54Å; F201-F203 HydrophobicContact CD1-CE2 3.54Å; F201-F203 HydrophobicContact CD1-CZ 4.1Å; F201-F203 AromaticContact CE1-CE2 3.57Å; F201-F203 HydrophobicContact CE1-CE2 3.57Å; F201-F203 AromaticContact CE1-CZ 3.62Å; F201-F203 HydrophobicContact CE1-CZ 3.62Å; F203-Q206 HydrophobicContact CB-CB 4.15Å; F203-H207 AromaticContact CD2-ND1 3.98Å; F203-H207 PolarHBondContact N-ND1 3.27Å; F203-H207 PolarHBondContact O-N 2.95Å; F203-V208 PolarHBondContact O-N 3.01Å; F203-V208 VanDerWaalsContact O-N 3.11Å; F203-G225 WeakPolarHBondContact CA-O 3.39Å; F203-R226 HydrophobicContact CE1-CB 4.47Å
204	F	94.8	Very high	89.4	Confident	18 Å²	18	61.6 Å²	61.6	8%	0.079	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-67.9	144.6	173.3	-73.5	-62.8	0	0	0	110.6	Q206 V208 L210 N222 P223 G225 A227 T231 V232	F204-Q206 PolarHBondContact O-N 2.96Å; F204-V208 CarbonylContact C-O 3.59Å; F204-V208 VanDerWaalsContact CA-O 3.23Å; F204-V208 WeakPolarHBondContact CA-O 3.24Å; F204-V208 HydrophobicContact CD1-CB 4.37Å; F204-V208 HydrophobicContact CD1-CG1 4.3Å; F204-V208 HydrophobicContact CE1-CG1 4.24Å; F204-L210 HydrophobicContact CD1-CG 4.37Å; F204-L210 HydrophobicContact CE1-CD1 3.98Å; F204-L210 HydrophobicContact CE1-CD2 4.09Å; F204-L210 HydrophobicContact CE1-CG 3.78Å; F204-L210 HydrophobicContact CZ-CD1 4.29Å; F204-N222 HydrophobicContact CB-CB 4.04Å; F204-P223 WeakPolarHBondContact CB-O 3.34Å; F204-P223 HydrophobicContact CD2-CB 3.91Å; F204-P223 HydrophobicContact CD2-CG 4.2Å; F204-P223 WeakPolarHBondContact CD2-O 3.47Å; F204-P223 HydrophobicContact CE2-CB 3.96Å; F204-P223 HydrophobicContact CE2-CG 3.96Å; F204-P223 HydrophobicContact CZ-CG 4.26Å; F204-G225 PolarHBondContact N-O 2.86Å; F204-A227 HydrophobicContact CD1-CB 3.86Å; F204-A227 HydrophobicContact CD2-CB 3.9Å; F204-A227 HydrophobicContact CE1-CB 3.83Å; F204-A227 HydrophobicContact CE2-CB 3.89Å; F204-A227 HydrophobicContact CG-CB 3.88Å; F204-A227 HydrophobicContact CZ-CB 3.85Å; F204-T231 HydrophobicContact CE2-CG2 4.29Å; F204-T231 HydrophobicContact CZ-CG2 4.24Å; F204-V232 HydrophobicContact CE1-CG2 3.95Å; F204-V232 HydrophobicContact CZ-CG2 3.83Å
205	G	90.2	Very high	87.4	Confident	47 Å²	47	59.1 Å²	59.1	49%	0.485	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-27.8	-177.5	0	0	0	0	0	115.5	V208 D209 N222	G205-V208 PolarHBondContact N-O 2.97Å; G205-D209 WeakPolarHBondContact CA-OD1 3.1Å; G205-N222 VanDerWaalsContact CA-ND2 3.32Å; G205-N222 WeakPolarHBondContact CA-ND2 3.5Å; G205-N222 PolarHBondContact N-ND2 3.28Å
206	Q	90.4	Very high	85.6	Confident	91 Å²	91	55 Å²	55	43%	0.425	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-47.6	174.8	-170.9	-177.1	8.4	0	0	112.2	F203 F204 N594	F203-Q206 HydrophobicContact CB-CB 4.15Å; F204-Q206 PolarHBondContact O-N 2.96Å; Q206-N594 PolarHBondContact NE2-O 3.29Å
207	H	93.2	Very high	83.4	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.037	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-34.5	-172.6	-53.6	119.2	0	0	0	112.5	L202 F203 F244 H245 F250 N594	L202-H207 HydrophobicContact CB-CB 4.48Å; L202-H207 HydrophobicContact CD2-CB 3.99Å; F203-H207 AromaticContact CD2-ND1 3.98Å; F203-H207 PolarHBondContact N-ND1 3.27Å; F203-H207 PolarHBondContact O-N 2.95Å; H207-F244 WeakPolarHBondContact O-CA 3.43Å; H207-H245 PolarHBondContact O-N 2.84Å; H207-F250 HydrophobicContact CB-CE2 4.36Å; H207-F250 HydrophobicContact CB-CZ 4.29Å; H207-F250 AromaticContact CD2-CE2 3.94Å; H207-F250 AromaticContact CD2-CZ 3.56Å; H207-F250 AromaticContact CG-CZ 3.86Å; H207-N594 VanDerWaalsContact NE2-CG 3.25Å; H207-N594 PolarHBondContact NE2-ND2 3.36Å
208	V	94.6	Very high	81.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.3	-175	-178	0	0	0	0	110.1	L202 F203 F204 G205 A227 V232 I242 R243 F244	L202-V208 HydrophobicContact CB-CG2 4Å; L202-V208 HydrophobicContact CD1-CG2 3.66Å; L202-V208 HydrophobicContact CG-CG2 4.27Å; F203-V208 PolarHBondContact O-N 3.01Å; F203-V208 VanDerWaalsContact O-N 3.11Å; F204-V208 CarbonylContact C-O 3.59Å; F204-V208 VanDerWaalsContact CA-O 3.23Å; F204-V208 WeakPolarHBondContact CA-O 3.24Å; F204-V208 HydrophobicContact CD1-CB 4.37Å; F204-V208 HydrophobicContact CD1-CG1 4.3Å; F204-V208 HydrophobicContact CE1-CG1 4.24Å; G205-V208 PolarHBondContact N-O 2.97Å; V208-A227 HydrophobicContact CB-CB 4.21Å; V208-A227 HydrophobicContact CG2-CB 4.35Å; V208-V232 HydrophobicContact CG1-CG2 4.5Å; V208-I242 HydrophobicContact CG1-CG2 3.6Å; V208-R243 CarbonylContact C-O 3.51Å; V208-R243 WeakPolarHBondContact CA-O 3.49Å; V208-F244 HydrophobicContact CG2-CD1 3.95Å; V208-F244 HydrophobicContact CG2-CE1 3.93Å
209	D	94.2	Very high	79.3	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.027	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.1	171.7	-73.4	-23.3	0	0	0	110.8	G205 I220 N222 I242 R243 H245	G205-D209 WeakPolarHBondContact CA-OD1 3.1Å; D209-I220 HydrophobicContact CB-CD1 4.25Å; D209-I220 HydrophobicContact CB-CG2 3.77Å; D209-N222 WeakPolarHBondContact CA-OD1 3.46Å; D209-N222 PolarHBondContact OD1-ND2 2.93Å; D209-I242 WeakPolarHBondContact O-CA 3.41Å; D209-R243 HydrophobicContact CB-CB 4.1Å; D209-R243 PolarHBondContact N-O 3.45Å; D209-R243 PolarHBondContact O-N 2.76Å; D209-R243 IonicContact OD2-CZ 3.68Å; D209-R243 IonicContact OD2-NE 3.61Å; D209-R243 PolarHBondContact OD2-NE 2.89Å; D209-R243 IonicContact OD2-NH2 2.82Å; D209-R243 PolarHBondContact OD2-NH2 2.96Å; D209-H245 IonicContact OD1-NE2 2.64Å; D209-H245 IonicContact OD2-CD2 3.82Å; D209-H245 IonicContact OD2-CE1 2.89Å; D209-H245 PolarHBondContact OD2-CE1 3.19Å; D209-H245 IonicContact OD2-NE2 3.98Å; D209-H245 PolarHBondContact OD2-NE2 2.81Å
210	L	92.3	Very high	78.3	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.7	169.3	-62.5	179.7	0	0	0	110.2	F204 I220 N222 P223 H235 K240 I242	F204-L210 HydrophobicContact CD1-CG 4.37Å; F204-L210 HydrophobicContact CE1-CD1 3.98Å; F204-L210 HydrophobicContact CE1-CD2 4.09Å; F204-L210 HydrophobicContact CE1-CG 3.78Å; F204-L210 HydrophobicContact CZ-CD1 4.29Å; L210-I220 WeakPolarHBondContact O-CG2 3.49Å; L210-N222 PolarHBondContact N-OD1 3.32Å; L210-P223 HydrophobicContact CD1-CG 4.13Å; L210-H235 HydrophobicContact CD1-CB 3.82Å; L210-H235 HydrophobicContact CD2-CB 3.9Å; L210-H235 HydrophobicContact CG-CB 4.49Å; L210-K240 HydrophobicContact CB-CD 4.44Å; L210-I242 HydrophobicContact CD2-CG1 4.49Å
211	I	88.4	Confident	77.4	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.4	-178.8	-54.2	174.6	0	0	0	109.1	K240 G241 R243 Y274 L276 L283	I211-K240 CarbonylContact O-C 3.49Å; I211-K240 WeakPolarHBondContact O-CA 3.46Å; I211-K240 WeakPolarHBondContact O-CB 3.46Å; I211-G241 PolarHBondContact N-O 3.04Å; I211-G241 PolarHBondContact O-N 3.34Å; I211-R243 HydrophobicContact CD1-CB 3.86Å; I211-R243 HydrophobicContact CG1-CB 4.18Å; I211-Y274 HydrophobicContact CD1-CD1 3.63Å; I211-Y274 HydrophobicContact CD1-CE1 4.03Å; I211-L276 HydrophobicContact CD1-CD2 3.9Å; I211-L283 HydrophobicContact CD1-CD1 4.1Å; I211-L283 HydrophobicContact CG2-CD1 4.11Å; I211-L283 HydrophobicContact CG2-CD2 3.42Å; I211-L283 VanDerWaalsContact CG2-CD2 3.42Å; I211-L283 HydrophobicContact CG2-CG 4.4Å
212	E	78.6	Confident	77.3	Confident	123 Å²	123	64.4 Å²	64.4	58%	0.575	32%	0.324	S	S	*	.			trans	-108.8	155.3	170.8	-160.4	141.7	-138.5	0	0	109.9	K240	E212-K240 VanDerWaalsContact CD-CE 3.5Å; E212-K240 WeakPolarHBondContact OE1-CE 3.46Å; E212-K240 IonicContact OE1-NZ 3.74Å; E212-K240 PolarHBondContact OE1-NZ 3.44Å; E212-K240 VanDerWaalsContact OE1-NZ 3.1Å; E212-K240 IonicContact OE2-NZ 2.92Å; E212-K240 PolarHBondContact OE2-NZ 2.86Å
213	D	67.3	Low	77.1	Confident	78 Å²	78	66.2 Å²	66.2	42%	0.417	34%	0.336	S	S	.	.	S	Bend	trans	-72.5	160.7	-161.5	-170.2	32.7	0	0	0	114.3	T281 E282	D213-T281 WeakPolarHBondContact OD1-CA 3.4Å; D213-E282 PolarHBondContact OD1-N 3.25Å; D213-E282 VanDerWaalsContact OD1-N 3.15Å
214	K	60.2	Low	77	Confident	162 Å²	162	68.8 Å²	68.8	70%	0.704	36%	0.36	S	S	*	.	S	Bend	trans	95.4	-35	170.1	-55.7	177.2	-178.7	176.2	0	118.6
215	T	51.4	Low	76.9	Confident	43 Å²	43	69.7 Å²	69.7	26%	0.264	38%	0.375	S	S	.	.			trans	-177.4	134.6	168.9	7.1	0	0	0	0	114.1	K217 H218	T215-K217 HydrophobicContact CG2-CB 4.42Å; T215-K217 PolarHBondContact O-N 2.93Å; T215-H218 PolarHBondContact O-N 3.18Å
216	L	55.6	Low	77.1	Confident	38 Å²	38	71.7 Å²	71.7	20%	0.199	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	12.2	167	-71.2	165.3	0	0	0	114.7	I220 L283 F285	L216-I220 HydrophobicContact CD2-CD1 3.56Å; L216-I220 HydrophobicContact CD2-CG1 3.9Å; L216-L283 HydrophobicContact CD1-CB 4.15Å; L216-L283 HydrophobicContact CD1-CD2 4.42Å; L216-L283 HydrophobicContact CG-CD2 4.22Å; L216-F285 HydrophobicContact CD1-CD1 4.02Å; L216-F285 HydrophobicContact CD1-CD2 4.48Å; L216-F285 HydrophobicContact CD1-CE1 3.33Å; L216-F285 HydrophobicContact CD1-CE2 3.86Å; L216-F285 HydrophobicContact CD1-CZ 3.24Å
217	K	45.7	Very low	77.4	Confident	132 Å²	132	67.5 Å²	67.5	57%	0.574	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-25.8	174.8	-78.4	-172.9	173.1	-177.7	0	113.3	T215 N286	T215-K217 HydrophobicContact CG2-CB 4.42Å; T215-K217 PolarHBondContact O-N 2.93Å; K217-N286 WeakPolarHBondContact CE-OD1 3.45Å; K217-N286 PolarHBondContact NZ-OD1 2.87Å
218	H	48.2	Very low	77.5	Confident	149 Å²	149	72.6 Å²	72.6	69%	0.69	37%	0.371	S	S	*	.	S	Bend	trans	-89	139.2	165.6	-67.6	-68.6	0	0	0	107	T215 I220	T215-H218 PolarHBondContact O-N 3.18Å; H218-I220 PolarHBondContact O-N 2.86Å
219	E	54.4	Low	77.6	Confident	178 Å²	178	73.8 Å²	73.8	83%	0.832	38%	0.38	S	S	*	.			trans	-53	132.9	-163.8	-65.8	170	141.7	0	0	111.1	V221	E219-V221 VanDerWaalsContact C-N 3.31Å; E219-V221 WeakPolarHBondContact O-CG2 3.26Å; E219-V221 PolarHBondContact O-N 3.11Å
220	I	70.7	Confident	77.7	Confident	45 Å²	45	76.2 Å²	76.2	23%	0.231	41%	0.406	C	S	.	.			trans	-63.7	99.1	167.5	-67.9	172.1	0	0	0	106	D209 L210 L216 H218 N222	D209-I220 HydrophobicContact CB-CD1 4.25Å; D209-I220 HydrophobicContact CB-CG2 3.77Å; L210-I220 WeakPolarHBondContact O-CG2 3.49Å; L216-I220 HydrophobicContact CD2-CD1 3.56Å; L216-I220 HydrophobicContact CD2-CG1 3.9Å; H218-I220 PolarHBondContact O-N 2.86Å; I220-N222 VanDerWaalsContact C-N 3.29Å; I220-N222 PolarHBondContact O-N 3.11Å
221	V	75.8	Confident	77.8	Confident	113 Å²	113	78.2 Å²	78.2	69%	0.685	42%	0.419	S	S	*	.			trans	-77.7	87.6	179.5	-172.9	0	0	0	0	108.6	E219	E219-V221 VanDerWaalsContact C-N 3.31Å; E219-V221 WeakPolarHBondContact O-CG2 3.26Å; E219-V221 PolarHBondContact O-N 3.11Å
222	N	88.2	Confident	78.2	Confident	37 Å²	37	78 Å²	78	20%	0.198	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-82.4	138.4	174	-83	-34.6	0	0	0	111.1	F204 G205 D209 L210 I220	F204-N222 HydrophobicContact CB-CB 4.04Å; G205-N222 VanDerWaalsContact CA-ND2 3.32Å; G205-N222 WeakPolarHBondContact CA-ND2 3.5Å; G205-N222 PolarHBondContact N-ND2 3.28Å; D209-N222 WeakPolarHBondContact CA-OD1 3.46Å; D209-N222 PolarHBondContact OD1-ND2 2.93Å; L210-N222 PolarHBondContact N-OD1 3.32Å; I220-N222 VanDerWaalsContact C-N 3.29Å; I220-N222 PolarHBondContact O-N 3.11Å
223	P	90.9	Very high	79	Confident	39 Å²	39	74.3 Å²	74.3	25%	0.253	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-57.1	143.1	162.5	-20.1	31.9	0	0	0	110.2	F204 L210	F204-P223 WeakPolarHBondContact CB-O 3.34Å; F204-P223 HydrophobicContact CD2-CB 3.91Å; F204-P223 HydrophobicContact CD2-CG 4.2Å; F204-P223 WeakPolarHBondContact CD2-O 3.47Å; F204-P223 HydrophobicContact CE2-CB 3.96Å; F204-P223 HydrophobicContact CE2-CG 3.96Å; F204-P223 HydrophobicContact CZ-CG 4.26Å; L210-P223 HydrophobicContact CD1-CG 4.13Å
224	P	91.4	Very high	80.3	Confident	131 Å²	131	75.5 Å²	75.5	85%	0.851	40%	0.402	S	S	*	.	S	Bend	trans	-70.2	142.8	178.2	28.7	-34.4	0	0	0	111.7
225	G	93	Very high	81.9	Confident	37 Å²	37	69.4 Å²	69.4	38%	0.381	38%	0.376	S	S	.	.	S	Bend	trans	88.8	-143.3	168.3	0	0	0	0	0	115.4	F203 F204	F203-G225 WeakPolarHBondContact CA-O 3.39Å; F204-G225 PolarHBondContact N-O 2.86Å
226	R	95.4	Very high	83.8	Confident	89 Å²	89	68.6 Å²	68.6	34%	0.336	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-73.1	131.9	-168.4	-167.9	-176.4	176.3	-179.1	-1.6	111.5	F201 L202 F203 F228	F201-R226 HydrophobicContact CD1-CG 4.37Å; F201-R226 HydrophobicContact CE1-CG 3.99Å; F201-R226 VanDerWaalsContact CE2-NH1 3.29Å; L202-R226 WeakPolarHBondContact O-CG 3.28Å; F203-R226 HydrophobicContact CE1-CB 4.47Å; R226-F228 HydrophobicContact CB-CD2 4.2Å; R226-F228 HydrophobicContact CB-CE2 3.91Å; R226-F228 HydrophobicContact CB-CZ 4.38Å; R226-F228 HydrophobicContact CG-CD2 4.4Å; R226-F228 HydrophobicContact CG-CE2 4.3Å; R226-F228 HydrophobicContact CG-CZ 4.44Å; R226-F228 PolarHBondContact O-N 3.46Å; R226-F228 VanDerWaalsContact O-N 3.13Å
227	A	95.8	Very high	85.5	Confident	2 Å²	2	71.5 Å²	71.5	2%	0.017	39%	0.392	C	S	.	.			trans	-84.4	81.5	173.8	0	0	0	0	0	110.1	L202 F204 V208 V232	L202-A227 HydrophobicContact CB-CB 3.96Å; L202-A227 PolarHBondContact O-N 2.82Å; F204-A227 HydrophobicContact CD1-CB 3.86Å; F204-A227 HydrophobicContact CD2-CB 3.9Å; F204-A227 HydrophobicContact CE1-CB 3.83Å; F204-A227 HydrophobicContact CE2-CB 3.89Å; F204-A227 HydrophobicContact CG-CB 3.88Å; F204-A227 HydrophobicContact CZ-CB 3.85Å; V208-A227 HydrophobicContact CB-CB 4.21Å; V208-A227 HydrophobicContact CG2-CB 4.35Å; A227-V232 HydrophobicContact CB-CG2 3.9Å
228	F	95.8	Very high	87.7	Confident	116 Å²	116	69.7 Å²	69.7	51%	0.509	39%	0.385	S	S	.	.			trans	-66.4	140.4	174.1	-69.3	-84.6	0	0	0	111.3	R226 G230 T231 V232	R226-F228 HydrophobicContact CB-CD2 4.2Å; R226-F228 HydrophobicContact CB-CE2 3.91Å; R226-F228 HydrophobicContact CB-CZ 4.38Å; R226-F228 HydrophobicContact CG-CD2 4.4Å; R226-F228 HydrophobicContact CG-CE2 4.3Å; R226-F228 HydrophobicContact CG-CZ 4.44Å; R226-F228 PolarHBondContact O-N 3.46Å; R226-F228 VanDerWaalsContact O-N 3.13Å; F228-G230 VanDerWaalsContact C-N 3.32Å; F228-G230 PolarHBondContact O-N 2.81Å; F228-T231 PolarHBondContact O-N 3.29Å; F228-T231 VanDerWaalsContact O-N 3.08Å; F228-V232 WeakPolarHBondContact O-CG2 3.4Å; F228-V232 PolarHBondContact O-N 3.38Å
229	A	96.3	Very high	89.5	Confident	25 Å²	25	63.1 Å²	63.1	21%	0.207	36%	0.357	C	S	.	.	H	α-helix	trans	-53.1	-45.7	-177	0	0	0	0	0	113.4	V197 T231 V232 W233	V197-A229 HydrophobicContact CG1-CB 3.87Å; A229-T231 PolarHBondContact O-N 3.49Å; A229-V232 PolarHBondContact O-N 3.43Å; A229-W233 WeakPolarHBondContact O-CB 3.48Å; A229-W233 PolarHBondContact O-N 2.91Å
230	G	95.8	Very high	91.2	Very high	55 Å²	55	56.4 Å²	56.4	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-55.6	-49.4	176.7	0	0	0	0	0	112.5	F228 V232 W233 E234	F228-G230 VanDerWaalsContact C-N 3.32Å; F228-G230 PolarHBondContact O-N 2.81Å; G230-V232 PolarHBondContact O-N 2.86Å; G230-W233 PolarHBondContact O-N 3.18Å; G230-E234 VanDerWaalsContact O-CB 3.25Å; G230-E234 WeakPolarHBondContact O-CB 3.47Å; G230-E234 PolarHBondContact O-N 2.89Å
231	T	95.8	Very high	92.2	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.288	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-42.1	178	-48.1	0	0	0	0	112.2	F204 F228 A229 H235	F204-T231 HydrophobicContact CE2-CG2 4.29Å; F204-T231 HydrophobicContact CZ-CG2 4.24Å; F228-T231 PolarHBondContact O-N 3.29Å; F228-T231 VanDerWaalsContact O-N 3.08Å; A229-T231 PolarHBondContact O-N 3.49Å; T231-H235 PolarHBondContact O-N 2.75Å; T231-H235 VanDerWaalsContact O-N 3.17Å; T231-H235 PolarHBondContact O-ND1 2.7Å
232	V	96.2	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-46.6	177.7	174.1	0	0	0	0	110.8	V197 F204 V208 A227 F228 A229 G230 H235 Y236 I242	V197-V232 HydrophobicContact CG1-CB 4.03Å; V197-V232 HydrophobicContact CG1-CG1 3.98Å; V197-V232 HydrophobicContact CG1-CG2 4.48Å; V197-V232 HydrophobicContact CG2-CG1 4.39Å; F204-V232 HydrophobicContact CE1-CG2 3.95Å; F204-V232 HydrophobicContact CZ-CG2 3.83Å; V208-V232 HydrophobicContact CG1-CG2 4.5Å; A227-V232 HydrophobicContact CB-CG2 3.9Å; F228-V232 WeakPolarHBondContact O-CG2 3.4Å; F228-V232 PolarHBondContact O-N 3.38Å; A229-V232 PolarHBondContact O-N 3.43Å; G230-V232 PolarHBondContact O-N 2.86Å; V232-H235 PolarHBondContact O-N 3.49Å; V232-Y236 WeakPolarHBondContact O-CB 3.38Å; V232-Y236 PolarHBondContact O-N 2.95Å; V232-I242 HydrophobicContact CG1-CD1 3.56Å; V232-I242 HydrophobicContact CG1-CG1 4.22Å
233	W	95.3	Very high	93.3	Very high	44 Å²	44	49.3 Å²	49.3	17%	0.167	28%	0.281	C	S	.	.	H	α-helix	trans	-72.2	-30.3	-179.7	-66.1	128.3	0	0	0	113.7	K194 V197 D198 A229 G230 Y236 S237 I242 L275	K194-W233 HydrophobicContact CB-CZ2 4.17Å; K194-W233 HydrophobicContact CG-CZ2 3.98Å; V197-W233 HydrophobicContact CB-CZ2 3.63Å; V197-W233 HydrophobicContact CG1-CZ2 3.79Å; V197-W233 HydrophobicContact CG2-CH2 4.26Å; V197-W233 HydrophobicContact CG2-CZ2 3.76Å; D198-W233 PolarHBondContact OD1-NE1 2.95Å; A229-W233 WeakPolarHBondContact O-CB 3.48Å; A229-W233 PolarHBondContact O-N 2.91Å; G230-W233 PolarHBondContact O-N 3.18Å; W233-Y236 AromaticContact CE3-CD1 3.97Å; W233-Y236 HydrophobicContact CE3-CD1 3.97Å; W233-Y236 HydrophobicContact CE3-CG 4.21Å; W233-Y236 HydrophobicContact CZ3-CD1 4.01Å; W233-Y236 HydrophobicContact CZ3-CG 4.26Å; W233-Y236 PolarHBondContact O-N 3.18Å; W233-S237 WeakPolarHBondContact O-CB 3.42Å; W233-S237 PolarHBondContact O-N 2.76Å; W233-I242 HydrophobicContact CE3-CD1 4.45Å; W233-I242 HydrophobicContact CH2-CD1 4.48Å; W233-I242 HydrophobicContact CZ3-CD1 3.98Å; W233-L275 HydrophobicContact CH2-CD2 4.19Å; W233-L275 HydrophobicContact CZ3-CD2 4.11Å
234	E	94.8	Very high	93.5	Very high	103 Å²	103	47.7 Å²	47.7	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-52.2	170.6	179.2	179.8	-164.6	0	0	111.1	G230 Y236 S237 Q238	G230-E234 VanDerWaalsContact O-CB 3.25Å; G230-E234 WeakPolarHBondContact O-CB 3.47Å; G230-E234 PolarHBondContact O-N 2.89Å; E234-Y236 VanDerWaalsContact C-N 3.27Å; E234-Y236 PolarHBondContact O-N 2.75Å; E234-S237 PolarHBondContact O-N 2.91Å; E234-S237 PolarHBondContact O-OG 3.15Å; E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.45Å; E234-Q238 PolarHBondContact O-N 2.96Å
235	H	93.1	Very high	93.6	Very high	35 Å²	35	43.4 Å²	43.4	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-35	177.7	-72.5	82.2	0	0	0	112.2	L210 T231 V232 Q238 G239 K240	L210-H235 HydrophobicContact CD1-CB 3.82Å; L210-H235 HydrophobicContact CD2-CB 3.9Å; L210-H235 HydrophobicContact CG-CB 4.49Å; T231-H235 PolarHBondContact O-N 2.75Å; T231-H235 VanDerWaalsContact O-N 3.17Å; T231-H235 PolarHBondContact O-ND1 2.7Å; V232-H235 PolarHBondContact O-N 3.49Å; H235-Q238 PolarHBondContact O-N 3.4Å; H235-G239 PolarHBondContact O-N 2.98Å; H235-K240 HydrophobicContact CB-CD 4.38Å; H235-K240 WeakPolarHBondContact O-CB 3.21Å; H235-K240 PolarHBondContact O-N 2.87Å
236	Y	92.2	Very high	93.5	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-38.9	174.4	-171.5	-106.5	0	0	0	113	Y190 V232 W233 E234 Q238 G239 K240 I242 L275 L276 H349	Y190-Y236 HydrophobicContact CE2-CE1 4.35Å; V232-Y236 WeakPolarHBondContact O-CB 3.38Å; V232-Y236 PolarHBondContact O-N 2.95Å; W233-Y236 AromaticContact CE3-CD1 3.97Å; W233-Y236 HydrophobicContact CE3-CD1 3.97Å; W233-Y236 HydrophobicContact CE3-CG 4.21Å; W233-Y236 HydrophobicContact CZ3-CD1 4.01Å; W233-Y236 HydrophobicContact CZ3-CG 4.26Å; W233-Y236 PolarHBondContact O-N 3.18Å; E234-Y236 VanDerWaalsContact C-N 3.27Å; E234-Y236 PolarHBondContact O-N 2.75Å; Y236-Q238 VanDerWaalsContact C-N 3.34Å; Y236-G239 VanDerWaalsContact O-CA 3.23Å; Y236-G239 WeakPolarHBondContact O-CA 3.31Å; Y236-G239 PolarHBondContact O-N 2.8Å; Y236-K240 WeakPolarHBondContact CD2-O 3.23Å; Y236-I242 HydrophobicContact CD2-CD1 3.75Å; Y236-I242 HydrophobicContact CD2-CG1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.99Å; Y236-L275 HydrophobicContact CE2-CD1 4.36Å; Y236-L275 HydrophobicContact CE2-CD2 4.21Å; Y236-L275 HydrophobicContact CE2-CG 3.73Å; Y236-L275 WeakPolarHBondContact OH-CD1 3.24Å; Y236-L276 PolarHBondContact OH-O 2.69Å; Y236-L276 VanDerWaalsContact OH-O 3.09Å; Y236-H349 WeakPolarHBondContact OH-CB 3.48Å
237	S	91.7	Very high	93.4	Very high	100 Å²	100	39.5 Å²	39.5	70%	0.699	22%	0.215	S	C	*	.	H	α-helix	trans	-70.2	-32.2	176.6	78.4	0	0	0	0	112.2	W233 E234 G239	W233-S237 WeakPolarHBondContact O-CB 3.42Å; W233-S237 PolarHBondContact O-N 2.76Å; E234-S237 PolarHBondContact O-N 2.91Å; E234-S237 PolarHBondContact O-OG 3.15Å; S237-G239 PolarHBondContact O-N 2.85Å
238	Q	90.2	Very high	93.2	Very high	94 Å²	94	39.7 Å²	39.7	44%	0.439	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-6.2	165.5	-65.1	169.2	7.9	0	0	112.7	E234 H235 Y236 K279	E234-Q238 VanDerWaalsContact O-CG 3.31Å; E234-Q238 WeakPolarHBondContact O-CG 3.45Å; E234-Q238 PolarHBondContact O-N 2.96Å; H235-Q238 PolarHBondContact O-N 3.4Å; Y236-Q238 VanDerWaalsContact C-N 3.34Å; Q238-K279 WeakPolarHBondContact O-CE 3.49Å; Q238-K279 PolarHBondContact O-NZ 2.82Å
239	G	87.3	Confident	92.9	Very high	10 Å²	10	35 Å²	35	10%	0.103	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	8.7	170	0	0	0	0	0	115.4	H235 Y236 S237 S277	H235-G239 PolarHBondContact O-N 2.98Å; Y236-G239 VanDerWaalsContact O-CA 3.23Å; Y236-G239 WeakPolarHBondContact O-CA 3.31Å; Y236-G239 PolarHBondContact O-N 2.8Å; S237-G239 PolarHBondContact O-N 2.85Å; G239-S277 WeakPolarHBondContact CA-OG 3.18Å; G239-S277 PolarHBondContact O-OG 3.18Å
240	K	89.4	Confident	92.6	Very high	37 Å²	37	35.5 Å²	35.5	16%	0.161	20%	0.195	C	C	.	.			trans	-65	149.6	169.6	-56.9	-158.4	-172.1	-162.2	0	110	L210 I211 E212 H235 Y236	L210-K240 HydrophobicContact CB-CD 4.44Å; I211-K240 CarbonylContact O-C 3.49Å; I211-K240 WeakPolarHBondContact O-CA 3.46Å; I211-K240 WeakPolarHBondContact O-CB 3.46Å; E212-K240 VanDerWaalsContact CD-CE 3.5Å; E212-K240 WeakPolarHBondContact OE1-CE 3.46Å; E212-K240 IonicContact OE1-NZ 3.74Å; E212-K240 PolarHBondContact OE1-NZ 3.44Å; E212-K240 VanDerWaalsContact OE1-NZ 3.1Å; E212-K240 IonicContact OE2-NZ 2.92Å; E212-K240 PolarHBondContact OE2-NZ 2.86Å; H235-K240 HydrophobicContact CB-CD 4.38Å; H235-K240 WeakPolarHBondContact O-CB 3.21Å; H235-K240 PolarHBondContact O-N 2.87Å; Y236-K240 WeakPolarHBondContact CD2-O 3.23Å
241	G	91	Very high	92.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	165.4	167.9	0	0	0	0	0	111.1	I211 L275	I211-G241 PolarHBondContact N-O 3.04Å; I211-G241 PolarHBondContact O-N 3.34Å; G241-L275 CarbonylContact C-O 3.59Å; G241-L275 WeakPolarHBondContact CA-O 3.43Å
242	I	93.8	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.2	172.3	-54.5	162.1	0	0	0	108.9	V208 D209 L210 V232 W233 Y236 F244 L275	V208-I242 HydrophobicContact CG1-CG2 3.6Å; D209-I242 WeakPolarHBondContact O-CA 3.41Å; L210-I242 HydrophobicContact CD2-CG1 4.49Å; V232-I242 HydrophobicContact CG1-CD1 3.56Å; V232-I242 HydrophobicContact CG1-CG1 4.22Å; W233-I242 HydrophobicContact CE3-CD1 4.45Å; W233-I242 HydrophobicContact CH2-CD1 4.48Å; W233-I242 HydrophobicContact CZ3-CD1 3.98Å; Y236-I242 HydrophobicContact CD2-CD1 3.75Å; Y236-I242 HydrophobicContact CD2-CG1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.99Å; I242-F244 HydrophobicContact CB-CE2 3.95Å; I242-F244 HydrophobicContact CB-CZ 4.38Å; I242-F244 HydrophobicContact CG2-CD2 3.94Å; I242-F244 HydrophobicContact CG2-CE1 4.18Å; I242-F244 HydrophobicContact CG2-CE2 3.37Å; I242-F244 HydrophobicContact CG2-CZ 3.51Å; I242-L275 HydrophobicContact CB-CB 4.48Å; I242-L275 HydrophobicContact CD1-CD2 4.27Å; I242-L275 PolarHBondContact N-O 3.45Å; I242-L275 PolarHBondContact O-N 3.43Å
243	R	94.3	Very high	91.8	Very high	46 Å²	46	44.8 Å²	44.8	17%	0.174	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.5	165.6	162.5	172.6	83.5	171	11.4	109.8	V208 D209 I211 H245 T272 A273 Y274	V208-R243 CarbonylContact C-O 3.51Å; V208-R243 WeakPolarHBondContact CA-O 3.49Å; D209-R243 HydrophobicContact CB-CB 4.1Å; D209-R243 PolarHBondContact N-O 3.45Å; D209-R243 PolarHBondContact O-N 2.76Å; D209-R243 IonicContact OD2-CZ 3.68Å; D209-R243 IonicContact OD2-NE 3.61Å; D209-R243 PolarHBondContact OD2-NE 2.89Å; D209-R243 IonicContact OD2-NH2 2.82Å; D209-R243 PolarHBondContact OD2-NH2 2.96Å; I211-R243 HydrophobicContact CD1-CB 3.86Å; I211-R243 HydrophobicContact CG1-CB 4.18Å; R243-H245 VanDerWaalsContact CZ-CE1 3.46Å; R243-H245 PolarHBondContact NE-CE1 2.82Å; R243-H245 PolarHBondContact NE-NE2 2.82Å; R243-T272 HydrophobicContact CG-CG2 3.81Å; R243-A273 CarbonylContact C-O 3.59Å; R243-A273 WeakPolarHBondContact CA-O 3.48Å; R243-Y274 HydrophobicContact CB-CD1 4.11Å; R243-Y274 HydrophobicContact CB-CE1 3.99Å; R243-Y274 VanDerWaalsContact CD-OH 3.28Å; R243-Y274 WeakPolarHBondContact CD-OH 3.43Å; R243-Y274 HydrophobicContact CG-CE1 4.08Å
244	F	95	Very high	91.7	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.3	174	-65.8	-88.3	0	0	0	109.7	V193 V197 L202 H207 V208 I242 L247 T272 A273 L275	V193-F244 HydrophobicContact CG1-CD2 4.2Å; V193-F244 HydrophobicContact CG1-CE1 4.39Å; V193-F244 HydrophobicContact CG1-CE2 3.37Å; V193-F244 HydrophobicContact CG1-CZ 3.49Å; V193-F244 VanDerWaalsContact CG1-CZ 3.49Å; V197-F244 HydrophobicContact CG2-CE1 3.5Å; V197-F244 VanDerWaalsContact CG2-CE1 3.5Å; V197-F244 HydrophobicContact CG2-CZ 3.46Å; V197-F244 VanDerWaalsContact CG2-CZ 3.46Å; L202-F244 HydrophobicContact CD1-CE1 4.44Å; H207-F244 WeakPolarHBondContact O-CA 3.43Å; V208-F244 HydrophobicContact CG2-CD1 3.95Å; V208-F244 HydrophobicContact CG2-CE1 3.93Å; I242-F244 HydrophobicContact CB-CE2 3.95Å; I242-F244 HydrophobicContact CB-CZ 4.38Å; I242-F244 HydrophobicContact CG2-CD2 3.94Å; I242-F244 HydrophobicContact CG2-CE1 4.18Å; I242-F244 HydrophobicContact CG2-CE2 3.37Å; I242-F244 HydrophobicContact CG2-CZ 3.51Å; F244-L247 HydrophobicContact CB-CD1 3.63Å; F244-L247 HydrophobicContact CB-CG 3.9Å; F244-T272 CarbonylContact O-C 3.6Å; F244-T272 WeakPolarHBondContact O-CA 3.45Å; F244-T272 VanDerWaalsContact O-CG2 3.26Å; F244-T272 WeakPolarHBondContact O-CG2 2.88Å; F244-A273 PolarHBondContact N-O 3.49Å; F244-A273 PolarHBondContact O-N 2.92Å; F244-L275 HydrophobicContact CE2-CB 4.44Å
245	H	93.1	Very high	91.6	Very high	41 Å²	41	40.3 Å²	40.3	19%	0.19	19%	0.188	C	C	.	.			trans	-94.9	151.9	174.7	-62.9	-72	0	0	0	111.6	H207 D209 R243 L247	H207-H245 PolarHBondContact O-N 2.84Å; D209-H245 IonicContact OD1-NE2 2.64Å; D209-H245 IonicContact OD2-CD2 3.82Å; D209-H245 IonicContact OD2-CE1 2.89Å; D209-H245 PolarHBondContact OD2-CE1 3.19Å; D209-H245 IonicContact OD2-NE2 3.98Å; D209-H245 PolarHBondContact OD2-NE2 2.81Å; R243-H245 VanDerWaalsContact CZ-CE1 3.46Å; R243-H245 PolarHBondContact NE-CE1 2.82Å; R243-H245 PolarHBondContact NE-NE2 2.82Å; H245-L247 PolarHBondContact O-N 2.95Å; H245-L247 VanDerWaalsContact O-N 3.09Å
246	N	91.5	Very high	91.7	Very high	43 Å²	43	41 Å²	41	23%	0.23	19%	0.19	C	C	.	.			trans	51.7	39.4	165.3	-152.1	36.1	0	0	0	113.9	Q248 T249 V271 G593	N246-Q248 PolarHBondContact O-N 2.89Å; N246-Q248 VanDerWaalsContact OD1-CD 3.31Å; N246-Q248 PolarHBondContact OD1-NE2 2.95Å; N246-T249 PolarHBondContact ND2-OG1 3.18Å; N246-T249 VanDerWaalsContact ND2-OG1 3.11Å; N246-T249 PolarHBondContact O-N 3.44Å; N246-T249 PolarHBondContact O-OG1 3.08Å; N246-V271 WeakPolarHBondContact CA-O 3.4Å; N246-V271 PolarHBondContact N-O 3.4Å; N246-G593 PolarHBondContact ND2-O 2.91Å
247	L	92.4	Very high	91.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.2	-24.1	-171.2	-103.2	152.8	0	0	0	114.4	L188 L196 F244 H245 T249 F250 S251 L254 V271 A273	L188-L247 HydrophobicContact CD1-CD2 4.44Å; L188-L247 HydrophobicContact CD2-CD1 4.13Å; L196-L247 HydrophobicContact CD1-CD2 3.34Å; F244-L247 HydrophobicContact CB-CD1 3.63Å; F244-L247 HydrophobicContact CB-CG 3.9Å; H245-L247 PolarHBondContact O-N 2.95Å; H245-L247 VanDerWaalsContact O-N 3.09Å; L247-T249 PolarHBondContact O-N 3.13Å; L247-F250 PolarHBondContact O-N 3.31Å; L247-F250 VanDerWaalsContact O-N 3.17Å; L247-S251 PolarHBondContact O-N 3.06Å; L247-S251 VanDerWaalsContact O-N 3.13Å; L247-L254 HydrophobicContact CB-CD1 3.85Å; L247-L254 HydrophobicContact CD2-CD1 4.33Å; L247-V271 HydrophobicContact CB-CB 4.05Å; L247-V271 HydrophobicContact CB-CG1 3.91Å; L247-V271 HydrophobicContact CD1-CG1 4.41Å; L247-V271 PolarHBondContact N-O 2.82Å; L247-A273 HydrophobicContact CD1-CB 3.28Å
248	Q	92.5	Very high	91.9	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-66.8	-15.8	174.2	75.5	-81.4	13.2	0	0	113.7	N246 L254 R255 V258 F269 V271	N246-Q248 PolarHBondContact O-N 2.89Å; N246-Q248 VanDerWaalsContact OD1-CD 3.31Å; N246-Q248 PolarHBondContact OD1-NE2 2.95Å; Q248-L254 HydrophobicContact CB-CB 4.14Å; Q248-R255 HydrophobicContact CB-CB 4.29Å; Q248-R255 WeakPolarHBondContact O-CB 3.36Å; Q248-R255 WeakPolarHBondContact O-CG 3.23Å; Q248-R255 PolarHBondContact O-NE 2.87Å; Q248-V258 HydrophobicContact CB-CG2 3.79Å; Q248-V258 HydrophobicContact CG-CG2 3.8Å; Q248-F269 PolarHBondContact NE2-O 3.43Å; Q248-V271 HydrophobicContact CB-CG2 4.34Å
249	T	90.1	Very high	92.1	Very high	18 Å²	18	33.1 Å²	33.1	11%	0.11	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68.6	-38.1	169.5	-58.2	0	0	0	0	111.4	N246 L247 R255 G593 N594	N246-T249 PolarHBondContact ND2-OG1 3.18Å; N246-T249 VanDerWaalsContact ND2-OG1 3.11Å; N246-T249 PolarHBondContact O-N 3.44Å; N246-T249 PolarHBondContact O-OG1 3.08Å; L247-T249 PolarHBondContact O-N 3.13Å; T249-R255 PolarHBondContact O-NH2 3.45Å; T249-G593 WeakPolarHBondContact OG1-CA 3.31Å; T249-G593 PolarHBondContact OG1-O 3.48Å; T249-N594 WeakPolarHBondContact CB-OD1 3.36Å; T249-N594 VanDerWaalsContact CG2-OD1 3.26Å; T249-N594 WeakPolarHBondContact CG2-OD1 3.38Å; T249-N594 PolarHBondContact OG1-OD1 3.31Å
250	F	89.3	Confident	92.5	Very high	35 Å²	35	33 Å²	33	15%	0.154	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.9	-175.6	-53.1	-72.9	0	0	0	113.9	L196 E200 L202 H207 L247 N594	L196-F250 HydrophobicContact CD1-CB 3.81Å; L196-F250 HydrophobicContact CD1-CG 4.46Å; L196-F250 HydrophobicContact CD2-CB 4.36Å; L196-F250 HydrophobicContact CD2-CD2 4.46Å; L196-F250 HydrophobicContact CD2-CG 4.32Å; L196-F250 HydrophobicContact CG-CB 3.97Å; L196-F250 HydrophobicContact CG-CG 4.45Å; E200-F250 HydrophobicContact CB-CD1 4.01Å; E200-F250 HydrophobicContact CB-CE1 4.34Å; E200-F250 HydrophobicContact CG-CB 4.25Å; E200-F250 HydrophobicContact CG-CD1 3.81Å; E200-F250 HydrophobicContact CG-CG 4.3Å; L202-F250 HydrophobicContact CD2-CD1 4.38Å; L202-F250 HydrophobicContact CD2-CD2 4.48Å; L202-F250 HydrophobicContact CD2-CE1 3.88Å; L202-F250 HydrophobicContact CD2-CE2 4Å; L202-F250 HydrophobicContact CD2-CZ 3.66Å; H207-F250 HydrophobicContact CB-CE2 4.36Å; H207-F250 HydrophobicContact CB-CZ 4.29Å; H207-F250 AromaticContact CD2-CE2 3.94Å; H207-F250 AromaticContact CD2-CZ 3.56Å; H207-F250 AromaticContact CG-CZ 3.86Å; L247-F250 PolarHBondContact O-N 3.31Å; L247-F250 VanDerWaalsContact O-N 3.17Å; F250-N594 WeakPolarHBondContact CZ-ND2 3.48Å
251	S	90.1	Very high	92.8	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.091	14%	0.137	C	C	.	.			trans	-126.2	106.9	-178.4	176.2	0	0	0	0	112	L247 R253 L254 R255	L247-S251 PolarHBondContact O-N 3.06Å; L247-S251 VanDerWaalsContact O-N 3.13Å; S251-R253 PolarHBondContact O-N 3.41Å; S251-L254 PolarHBondContact O-N 3.04Å; S251-L254 PolarHBondContact OG-N 3.01Å; S251-R255 PolarHBondContact O-N 3.46Å
252	R	90.1	Very high	93	Very high	146 Å²	146	32 Å²	32	55%	0.551	14%	0.141	S	C	*	.	H	α-helix	trans	-52.1	-40.9	173.6	-65.5	-176.2	-175.6	-169	3.7	112.2	L254 R255 F256 E517	R252-L254 PolarHBondContact O-N 3.3Å; R252-R255 PolarHBondContact O-N 2.76Å; R252-F256 WeakPolarHBondContact O-CB 3.47Å; R252-F256 PolarHBondContact O-N 3.26Å; R252-E517 HydrophobicContact CB-CG 4.18Å; R252-E517 WeakPolarHBondContact CB-OE1 3.37Å; R252-E517 WeakPolarHBondContact CD-OE1 3.33Å; R252-E517 VanDerWaalsContact CG-OE1 3.25Å; R252-E517 WeakPolarHBondContact CG-OE1 3.39Å; R252-E517 IonicContact NE-OE1 2.67Å
253	R	90.9	Very high	93.1	Very high	137 Å²	137	32.3 Å²	32.3	52%	0.517	14%	0.142	S	C	.	.	H	α-helix	trans	-61.7	-41.9	177.1	179.1	178.5	170.2	110.8	-10.8	112.3	E186 S251 R257	E186-R253 PolarHBondContact O-NE 2.72Å; E186-R253 PolarHBondContact O-NH2 3.32Å; S251-R253 PolarHBondContact O-N 3.41Å; R253-R257 WeakPolarHBondContact O-CG 3.24Å; R253-R257 PolarHBondContact O-N 2.8Å
254	L	93.1	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.9	-45.1	174.3	-68.1	178.1	0	0	0	110.6	W187 L247 Q248 S251 R252 F256 R257 V258 V271 L353	W187-L254 HydrophobicContact CB-CD2 4.15Å; W187-L254 HydrophobicContact CE3-CD2 3.68Å; W187-L254 WeakPolarHBondContact O-CD2 3.42Å; L247-L254 HydrophobicContact CB-CD1 3.85Å; L247-L254 HydrophobicContact CD2-CD1 4.33Å; Q248-L254 HydrophobicContact CB-CB 4.14Å; S251-L254 PolarHBondContact O-N 3.04Å; S251-L254 PolarHBondContact OG-N 3.01Å; R252-L254 PolarHBondContact O-N 3.3Å; L254-F256 PolarHBondContact O-N 3.39Å; L254-R257 PolarHBondContact O-N 2.89Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 2.91Å; L254-V271 HydrophobicContact CD1-CG1 4.23Å; L254-L353 HydrophobicContact CD2-CD1 4.06Å
255	R	93.1	Very high	93.1	Very high	54 Å²	54	32.2 Å²	32.2	20%	0.204	14%	0.143	C	C	.	.	H	α-helix	trans	-56.9	-45	178.6	-152.9	-172.5	-61	164.7	-18.1	113.2	Q248 T249 S251 R252 G259 C514 A515 E517	Q248-R255 HydrophobicContact CB-CB 4.29Å; Q248-R255 WeakPolarHBondContact O-CB 3.36Å; Q248-R255 WeakPolarHBondContact O-CG 3.23Å; Q248-R255 PolarHBondContact O-NE 2.87Å; T249-R255 PolarHBondContact O-NH2 3.45Å; S251-R255 PolarHBondContact O-N 3.46Å; R252-R255 PolarHBondContact O-N 2.76Å; R255-G259 WeakPolarHBondContact O-CA 3.35Å; R255-G259 PolarHBondContact O-N 3.03Å; R255-C514 HydrophobicContact CG-CB 4.15Å; R255-A515 VanDerWaalsContact CD-O 3.27Å; R255-A515 WeakPolarHBondContact CD-O 3.36Å; R255-E517 HydrophobicContact CB-CB 4.03Å; R255-E517 WeakPolarHBondContact CD-OE2 3.39Å; R255-E517 HydrophobicContact CG-CB 4.22Å; R255-E517 IonicContact CZ-OE2 3.66Å; R255-E517 IonicContact NE-OE2 2.76Å; R255-E517 IonicContact NH1-OE2 2.73Å; R255-E517 PolarHBondContact NH1-OE2 3.27Å
256	F	94.1	Very high	93	Very high	48 Å²	48	31.1 Å²	31.1	21%	0.211	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-50.7	174.5	-179.3	-106.2	0	0	0	111.4	R252 L254 G259 L260 E517	R252-F256 WeakPolarHBondContact O-CB 3.47Å; R252-F256 PolarHBondContact O-N 3.26Å; L254-F256 PolarHBondContact O-N 3.39Å; F256-G259 PolarHBondContact O-N 3.11Å; F256-L260 HydrophobicContact CD1-CD1 4.14Å; F256-L260 HydrophobicContact CE1-CD1 3.57Å; F256-L260 HydrophobicContact CE1-CG 4.41Å; F256-L260 HydrophobicContact CE2-CD1 4.37Å; F256-L260 HydrophobicContact CE2-CG 4.45Å; F256-L260 HydrophobicContact CZ-CD1 3.69Å; F256-L260 HydrophobicContact CZ-CD2 4.49Å; F256-L260 HydrophobicContact CZ-CG 4.25Å; F256-L260 WeakPolarHBondContact O-CG 3.32Å; F256-L260 PolarHBondContact O-N 2.89Å; F256-E517 HydrophobicContact CB-CB 3.94Å; F256-E517 HydrophobicContact CB-CG 4.04Å
257	R	94.4	Very high	93	Very high	29 Å²	29	29.1 Å²	29.1	11%	0.109	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-48.5	-179.6	-77.3	178.2	161.9	-172.7	-8.8	112.7	L152 E155 G185 W187 R253 L254 L260 L261	L152-R257 HydrophobicContact CD1-CG 4.33Å; L152-R257 HydrophobicContact CD2-CB 3.84Å; L152-R257 HydrophobicContact CD2-CG 4.05Å; L152-R257 WeakPolarHBondContact CD2-O 3.31Å; E155-R257 IonicContact OE1-NH2 3.98Å; G185-R257 PolarHBondContact O-NH1 2.82Å; G185-R257 PolarHBondContact O-NH2 3.18Å; G185-R257 VanDerWaalsContact O-NH2 3.16Å; W187-R257 HydrophobicContact CE3-CB 4.41Å; W187-R257 VanDerWaalsContact CG-NH1 3.26Å; W187-R257 HydrophobicContact CH2-CB 3.65Å; W187-R257 HydrophobicContact CH2-CG 4.2Å; W187-R257 HydrophobicContact CZ2-CB 4.5Å; W187-R257 HydrophobicContact CZ3-CB 3.59Å; W187-R257 HydrophobicContact CZ3-CG 4.32Å; R253-R257 WeakPolarHBondContact O-CG 3.24Å; R253-R257 PolarHBondContact O-N 2.8Å; L254-R257 PolarHBondContact O-N 2.89Å; R257-L260 PolarHBondContact O-N 3.23Å; R257-L261 PolarHBondContact O-N 3.27Å
258	V	94.5	Very high	92.9	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-72.7	-28.3	178.3	-58.8	0	0	0	0	113	W187 Q248 L254 L260 L261 Q262 F269 V271	W187-V258 HydrophobicContact CZ3-CG1 4.42Å; Q248-V258 HydrophobicContact CB-CG2 3.79Å; Q248-V258 HydrophobicContact CG-CG2 3.8Å; L254-V258 WeakPolarHBondContact O-CG2 3.4Å; L254-V258 PolarHBondContact O-N 2.91Å; V258-L260 VanDerWaalsContact C-N 3.34Å; V258-L261 PolarHBondContact O-N 3.24Å; V258-Q262 VanDerWaalsContact O-CB 3.31Å; V258-Q262 WeakPolarHBondContact O-CB 3.42Å; V258-Q262 PolarHBondContact O-N 3.25Å; V258-F269 HydrophobicContact CB-CB 3.8Å; V258-F269 HydrophobicContact CG1-CB 4.29Å; V258-V271 HydrophobicContact CG1-CG2 3.47Å; V258-V271 VanDerWaalsContact CG1-CG2 3.47Å
259	G	94.5	Very high	93.1	Very high	19 Å²	19	30.2 Å²	30.2	20%	0.196	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-37.4	170.8	0	0	0	0	0	112.9	R255 F256 E263	R255-G259 WeakPolarHBondContact O-CA 3.35Å; R255-G259 PolarHBondContact O-N 3.03Å; F256-G259 PolarHBondContact O-N 3.11Å; G259-E263 WeakPolarHBondContact O-CB 3.39Å; G259-E263 PolarHBondContact O-N 3.06Å
260	L	95.5	Very high	93.3	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-67.4	-40	172.1	-70.4	177.9	0	0	0	112.6	P145 Q148 G149 L152 F256 R257 V258 E263 Y264	P145-L260 HydrophobicContact CB-CD2 3.85Å; Q148-L260 HydrophobicContact CB-CD1 3.85Å; Q148-L260 HydrophobicContact CB-CD2 3.77Å; Q148-L260 HydrophobicContact CB-CG 4.4Å; G149-L260 WeakPolarHBondContact CA-O 3.37Å; L152-L260 HydrophobicContact CD2-CB 4.2Å; L152-L260 HydrophobicContact CD2-CD1 4.42Å; F256-L260 HydrophobicContact CD1-CD1 4.14Å; F256-L260 HydrophobicContact CE1-CD1 3.57Å; F256-L260 HydrophobicContact CE1-CG 4.41Å; F256-L260 HydrophobicContact CE2-CD1 4.37Å; F256-L260 HydrophobicContact CE2-CG 4.45Å; F256-L260 HydrophobicContact CZ-CD1 3.69Å; F256-L260 HydrophobicContact CZ-CD2 4.49Å; F256-L260 HydrophobicContact CZ-CG 4.25Å; F256-L260 WeakPolarHBondContact O-CG 3.32Å; F256-L260 PolarHBondContact O-N 2.89Å; R257-L260 PolarHBondContact O-N 3.23Å; V258-L260 VanDerWaalsContact C-N 3.34Å; L260-E263 PolarHBondContact O-N 2.91Å; L260-Y264 PolarHBondContact O-N 3.39Å; L260-Y264 VanDerWaalsContact O-N 3.09Å
261	L	96.1	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-44.9	174.8	-65.5	175.7	0	0	0	111.5	L152 L153 I156 W187 R257 V258 E263 Y264 F265 F269	L152-L261 HydrophobicContact CD2-CD2 4.2Å; L152-L261 HydrophobicContact CD2-CG 4Å; L152-L261 HydrophobicContact CG-CD2 4.25Å; L153-L261 HydrophobicContact CB-CD2 4.11Å; I156-L261 HydrophobicContact CD1-CD1 3.94Å; I156-L261 HydrophobicContact CD1-CD2 4.23Å; W187-L261 HydrophobicContact CH2-CD1 4.42Å; R257-L261 PolarHBondContact O-N 3.27Å; V258-L261 PolarHBondContact O-N 3.24Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 2.85Å; L261-Y264 PolarHBondContact O-N 3.26Å; L261-Y264 VanDerWaalsContact O-N 3.13Å; L261-F265 WeakPolarHBondContact O-CD2 3.47Å; L261-F265 PolarHBondContact O-N 2.86Å; L261-F269 HydrophobicContact CB-CD1 3.77Å; L261-F269 HydrophobicContact CB-CD2 4.13Å; L261-F269 HydrophobicContact CB-CE1 3.78Å; L261-F269 HydrophobicContact CB-CE2 4.14Å; L261-F269 HydrophobicContact CB-CG 3.99Å; L261-F269 HydrophobicContact CB-CZ 3.98Å; L261-F269 HydrophobicContact CD1-CD1 3.82Å; L261-F269 HydrophobicContact CD1-CE1 3.89Å; L261-F269 HydrophobicContact CG-CD1 4.45Å; L261-F269 HydrophobicContact CG-CE1 4.39Å
262	Q	94.7	Very high	93.8	Very high	18 Å²	18	30.3 Å²	30.3	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-56.9	-43.2	174.1	165.1	168.6	-22.9	0	0	111.6	V258 Y264 G266 C267 N268 F269 S513 T550	V258-Q262 VanDerWaalsContact O-CB 3.31Å; V258-Q262 WeakPolarHBondContact O-CB 3.42Å; V258-Q262 PolarHBondContact O-N 3.25Å; Q262-Y264 VanDerWaalsContact C-N 3.33Å; Q262-Y264 PolarHBondContact O-N 2.89Å; Q262-G266 VanDerWaalsContact O-CA 3.31Å; Q262-G266 WeakPolarHBondContact O-CA 3.28Å; Q262-G266 PolarHBondContact O-N 3.5Å; Q262-C267 WeakPolarHBondContact CA-O 3.3Å; Q262-C267 WeakPolarHBondContact CB-O 3.5Å; Q262-C267 WeakPolarHBondContact CG-O 3.49Å; Q262-N268 PolarHBondContact OE1-OD1 3.26Å; Q262-F269 HydrophobicContact CB-CD2 4.23Å; Q262-S513 PolarHBondContact NE2-OG 2.94Å; Q262-T550 HydrophobicContact CG-CG2 4.31Å
263	E	94.7	Very high	94.1	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-35	177.5	-168	61	-154.4	0	0	112.3	P145 L146 G259 L260 L261 S549 T550 Y621	P145-E263 HydrophobicContact CB-CG 4.2Å; P145-E263 HydrophobicContact CG-CG 4.36Å; L146-E263 HydrophobicContact CD2-CG 3.98Å; L146-E263 WeakPolarHBondContact CD2-O 3.39Å; G259-E263 WeakPolarHBondContact O-CB 3.39Å; G259-E263 PolarHBondContact O-N 3.06Å; L260-E263 PolarHBondContact O-N 2.91Å; L261-E263 VanDerWaalsContact C-N 3.3Å; L261-E263 PolarHBondContact O-N 2.85Å; E263-S549 WeakPolarHBondContact OE1-CB 3.37Å; E263-S549 PolarHBondContact OE1-N 3.19Å; E263-S549 PolarHBondContact OE1-OG 2.91Å; E263-S549 PolarHBondContact OE2-N 2.94Å; E263-T550 WeakPolarHBondContact OE2-CB 3.24Å; E263-T550 WeakPolarHBondContact OE2-CG2 3.45Å; E263-T550 PolarHBondContact OE2-N 3.42Å; E263-T550 PolarHBondContact OE2-OG1 3.47Å; E263-Y621 WeakPolarHBondContact CG-OH 3.34Å; E263-Y621 WeakPolarHBondContact OE1-CE1 3.37Å; E263-Y621 PolarHBondContact OE1-OH 3.42Å
264	Y	95.5	Very high	94.2	Very high	17 Å²	17	17.5 Å²	17.5	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-74.8	-39.7	177.2	179.2	-99.2	0	0	0	113.9	L3 E150 L153 F166 L260 L261 Q262	L3-Y264 HydrophobicContact CD1-CE1 4.45Å; L3-Y264 HydrophobicContact CD1-CE2 3.85Å; L3-Y264 WeakPolarHBondContact CD1-OH 3.1Å; L3-Y264 WeakPolarHBondContact CD2-O 3.3Å; E150-Y264 HydrophobicContact CB-CD2 3.84Å; E150-Y264 HydrophobicContact CB-CE2 3.52Å; E150-Y264 HydrophobicContact CG-CE2 3.72Å; L153-Y264 HydrophobicContact CD2-CD1 4.04Å; L153-Y264 HydrophobicContact CD2-CE1 3.62Å; F166-Y264 HydrophobicContact CE2-CE1 4.46Å; F166-Y264 HydrophobicContact CZ-CE1 4.24Å; L260-Y264 PolarHBondContact O-N 3.39Å; L260-Y264 VanDerWaalsContact O-N 3.09Å; L261-Y264 PolarHBondContact O-N 3.26Å; L261-Y264 VanDerWaalsContact O-N 3.13Å; Q262-Y264 VanDerWaalsContact C-N 3.33Å; Q262-Y264 PolarHBondContact O-N 2.89Å
265	F	94.1	Very high	94.3	Very high	31 Å²	31	17.5 Å²	17.5	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-89.9	-26.5	-178.9	-82.1	-90.5	0	0	0	114.3	L153 F166 Y170 L261 F269 F357	L153-F265 HydrophobicContact CD1-CE2 4.29Å; L153-F265 HydrophobicContact CD1-CZ 4.45Å; L153-F265 HydrophobicContact CD2-CE2 3.64Å; L153-F265 HydrophobicContact CD2-CZ 3.71Å; F166-F265 HydrophobicContact CE1-CE1 4.02Å; F166-F265 HydrophobicContact CE1-CZ 4.35Å; F166-F265 HydrophobicContact CZ-CE1 4.06Å; F166-F265 HydrophobicContact CZ-CZ 4.05Å; Y170-F265 HydrophobicContact CE2-CE1 4.1Å; L261-F265 WeakPolarHBondContact O-CD2 3.47Å; L261-F265 PolarHBondContact O-N 2.86Å; F265-F269 HydrophobicContact CB-CE2 3.8Å; F265-F269 HydrophobicContact CB-CZ 4.24Å; F265-F269 HydrophobicContact CD2-CE1 4.39Å; F265-F269 AromaticContact CD2-CE2 3.71Å; F265-F269 HydrophobicContact CD2-CE2 3.71Å; F265-F269 AromaticContact CD2-CZ 3.32Å; F265-F269 HydrophobicContact CD2-CZ 3.32Å; F265-F269 HydrophobicContact CE2-CE1 4.42Å; F265-F269 HydrophobicContact CE2-CE2 4.47Å; F265-F269 AromaticContact CE2-CZ 3.65Å; F265-F269 HydrophobicContact CE2-CZ 3.65Å; F265-F269 AromaticContact CG-CE2 3.9Å; F265-F269 HydrophobicContact CG-CE2 3.9Å; F265-F269 AromaticContact CG-CZ 3.81Å; F265-F269 HydrophobicContact CG-CZ 3.81Å; F265-F269 HydrophobicContact CZ-CZ 4.39Å; F265-F357 HydrophobicContact CD1-CD2 4.47Å; F265-F357 HydrophobicContact CD1-CE2 4.32Å; F265-F357 HydrophobicContact CE1-CD2 4.36Å; F265-F357 AromaticContact CE1-CE2 3.79Å; F265-F357 HydrophobicContact CE1-CE2 3.79Å; F265-F357 AromaticContact CZ-CE2 3.94Å; F265-F357 HydrophobicContact CZ-CE2 3.94Å
266	G	91.3	Very high	94.2	Very high	17 Å²	17	15 Å²	15	18%	0.175	8%	0.083	C	C	.	.	S	Bend	trans	76.3	18.5	-172.8	0	0	0	0	0	115	Q262 Y361	Q262-G266 VanDerWaalsContact O-CA 3.31Å; Q262-G266 WeakPolarHBondContact O-CA 3.28Å; Q262-G266 PolarHBondContact O-N 3.5Å; G266-Y361 PolarHBondContact O-OH 3.25Å
267	C	92.2	Very high	93.9	Very high	2 Å²	2	13 Å²	13	1%	0.014	7%	0.074	C	C	.	.	S	Bend	trans	-133.7	161.1	177.5	69.4	0	0	0	0	111.5	Q262 F269 N358 Y361	Q262-C267 WeakPolarHBondContact CA-O 3.3Å; Q262-C267 WeakPolarHBondContact CB-O 3.5Å; Q262-C267 WeakPolarHBondContact CG-O 3.49Å; C267-F269 WeakPolarHBondContact O-CD2 3.38Å; C267-N358 PolarHBondContact SG-OD1 3.17Å; C267-Y361 HydrophobicContact CB-CD1 3.51Å; C267-Y361 HydrophobicContact CB-CD2 4.43Å; C267-Y361 HydrophobicContact CB-CE1 3.81Å; C267-Y361 HydrophobicContact CB-CG 3.83Å
268	N	91.1	Very high	93.3	Very high	27 Å²	27	14 Å²	14	14%	0.144	9%	0.086	C	C	.	.			trans	-68	141.9	178.9	-80.5	-23.9	0	0	0	111.9	Q262 I509 E512 S513	Q262-N268 PolarHBondContact OE1-OD1 3.26Å; N268-I509 PolarHBondContact ND2-O 2.87Å; N268-I509 WeakPolarHBondContact OD1-CG2 3.4Å; N268-I509 PolarHBondContact OD1-O 2.98Å; N268-E512 WeakPolarHBondContact ND2-CB 3.4Å; N268-S513 PolarHBondContact OD1-OG 2.96Å
269	F	94.8	Very high	92.8	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.8	172.5	-82.8	-110.5	0	0	0	109	Q248 V258 L261 Q262 F265 C267 I355 S356 F357	Q248-F269 PolarHBondContact NE2-O 3.43Å; V258-F269 HydrophobicContact CB-CB 3.8Å; V258-F269 HydrophobicContact CG1-CB 4.29Å; L261-F269 HydrophobicContact CB-CD1 3.77Å; L261-F269 HydrophobicContact CB-CD2 4.13Å; L261-F269 HydrophobicContact CB-CE1 3.78Å; L261-F269 HydrophobicContact CB-CE2 4.14Å; L261-F269 HydrophobicContact CB-CG 3.99Å; L261-F269 HydrophobicContact CB-CZ 3.98Å; L261-F269 HydrophobicContact CD1-CD1 3.82Å; L261-F269 HydrophobicContact CD1-CE1 3.89Å; L261-F269 HydrophobicContact CG-CD1 4.45Å; L261-F269 HydrophobicContact CG-CE1 4.39Å; Q262-F269 HydrophobicContact CB-CD2 4.23Å; F265-F269 HydrophobicContact CB-CE2 3.8Å; F265-F269 HydrophobicContact CB-CZ 4.24Å; F265-F269 HydrophobicContact CD2-CE1 4.39Å; F265-F269 AromaticContact CD2-CE2 3.71Å; F265-F269 HydrophobicContact CD2-CE2 3.71Å; F265-F269 AromaticContact CD2-CZ 3.32Å; F265-F269 HydrophobicContact CD2-CZ 3.32Å; F265-F269 HydrophobicContact CE2-CE1 4.42Å; F265-F269 HydrophobicContact CE2-CE2 4.47Å; F265-F269 AromaticContact CE2-CZ 3.65Å; F265-F269 HydrophobicContact CE2-CZ 3.65Å; F265-F269 AromaticContact CG-CE2 3.9Å; F265-F269 HydrophobicContact CG-CE2 3.9Å; F265-F269 AromaticContact CG-CZ 3.81Å; F265-F269 HydrophobicContact CG-CZ 3.81Å; F265-F269 HydrophobicContact CZ-CZ 4.39Å; C267-F269 WeakPolarHBondContact O-CD2 3.38Å; F269-I355 HydrophobicContact CD1-CG2 3.59Å; F269-I355 HydrophobicContact CE1-CG2 4.31Å; F269-S356 WeakPolarHBondContact CA-O 3.21Å; F269-F357 HydrophobicContact CD1-CB 3.83Å; F269-F357 HydrophobicContact CD1-CG 4.26Å; F269-F357 HydrophobicContact CD2-CB 3.95Å; F269-F357 HydrophobicContact CE1-CB 3.59Å; F269-F357 AromaticContact CE1-CD1 3.95Å; F269-F357 HydrophobicContact CE1-CD1 3.95Å; F269-F357 AromaticContact CE1-CD2 3.91Å; F269-F357 HydrophobicContact CE1-CD2 3.91Å; F269-F357 AromaticContact CE1-CG 3.58Å; F269-F357 HydrophobicContact CE1-CG 3.58Å; F269-F357 HydrophobicContact CE2-CB 3.71Å; F269-F357 HydrophobicContact CE2-CD2 4.09Å; F269-F357 HydrophobicContact CE2-CG 4.17Å; F269-F357 HydrophobicContact CG-CB 3.97Å; F269-F357 HydrophobicContact CZ-CB 3.51Å; F269-F357 HydrophobicContact CZ-CD1 4.29Å; F269-F357 AromaticContact CZ-CD2 3.4Å; F269-F357 HydrophobicContact CZ-CD2 3.4Å; F269-F357 HydrophobicContact CZ-CE2 4.11Å; F269-F357 AromaticContact CZ-CG 3.5Å; F269-F357 HydrophobicContact CZ-CG 3.5Å
270	T	94.2	Very high	92	Very high	48 Å²	48	21.5 Å²	21.5	29%	0.294	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.6	177.8	55.6	0	0	0	0	111.5	I355 S356	T270-I355 WeakPolarHBondContact O-CA 3.39Å; T270-S356 PolarHBondContact N-O 2.93Å; T270-S356 PolarHBondContact O-N 3.08Å
271	V	95.4	Very high	91.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.8	179.7	-173	0	0	0	0	110.4	N246 L247 Q248 L254 V258 L353 C354	N246-V271 WeakPolarHBondContact CA-O 3.4Å; N246-V271 PolarHBondContact N-O 3.4Å; L247-V271 HydrophobicContact CB-CB 4.05Å; L247-V271 HydrophobicContact CB-CG1 3.91Å; L247-V271 HydrophobicContact CD1-CG1 4.41Å; L247-V271 PolarHBondContact N-O 2.82Å; Q248-V271 HydrophobicContact CB-CG2 4.34Å; L254-V271 HydrophobicContact CD1-CG1 4.23Å; V258-V271 HydrophobicContact CG1-CG2 3.47Å; V258-V271 VanDerWaalsContact CG1-CG2 3.47Å; V271-L353 HydrophobicContact CG1-CD1 3.75Å; V271-L353 HydrophobicContact CG1-CD2 3.7Å; V271-L353 HydrophobicContact CG1-CG 3.59Å; V271-C354 WeakPolarHBondContact CA-O 3.29Å
272	T	95.5	Very high	90.9	Very high	20 Å²	20	26.1 Å²	26.1	12%	0.123	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.7	171.1	-61	0	0	0	0	108.3	R243 F244 Y274 C354	R243-T272 HydrophobicContact CG-CG2 3.81Å; F244-T272 CarbonylContact O-C 3.6Å; F244-T272 WeakPolarHBondContact O-CA 3.45Å; F244-T272 VanDerWaalsContact O-CG2 3.26Å; F244-T272 WeakPolarHBondContact O-CG2 2.88Å; T272-Y274 HydrophobicContact CG2-CD2 4.31Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; T272-C354 PolarHBondContact N-O 3.06Å; T272-C354 PolarHBondContact O-N 2.81Å
273	A	95.6	Very high	90.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.6	171.9	0	0	0	0	0	111.7	L188 R243 F244 L247 L351 H352	L188-A273 HydrophobicContact CD2-CB 3.45Å; L188-A273 VanDerWaalsContact CD2-CB 3.45Å; R243-A273 CarbonylContact C-O 3.59Å; R243-A273 WeakPolarHBondContact CA-O 3.48Å; F244-A273 PolarHBondContact N-O 3.49Å; F244-A273 PolarHBondContact O-N 2.92Å; L247-A273 HydrophobicContact CD1-CB 3.28Å; A273-L351 HydrophobicContact CB-CD1 4.37Å; A273-H352 WeakPolarHBondContact CA-O 3.31Å
274	Y	94.6	Very high	90.2	Very high	13 Å²	13	26.5 Å²	26.5	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.6	179.7	-68.9	-99.4	0	0	0	108.4	I211 R243 T272 L283 F285 L351 H352	I211-Y274 HydrophobicContact CD1-CD1 3.63Å; I211-Y274 HydrophobicContact CD1-CE1 4.03Å; R243-Y274 HydrophobicContact CB-CD1 4.11Å; R243-Y274 HydrophobicContact CB-CE1 3.99Å; R243-Y274 VanDerWaalsContact CD-OH 3.28Å; R243-Y274 WeakPolarHBondContact CD-OH 3.43Å; R243-Y274 HydrophobicContact CG-CE1 4.08Å; T272-Y274 HydrophobicContact CG2-CD2 4.31Å; T272-Y274 HydrophobicContact CG2-CE2 3.63Å; Y274-L283 HydrophobicContact CD1-CD1 4.21Å; Y274-L283 HydrophobicContact CE1-CD1 4.47Å; Y274-F285 AromaticContact CE1-CZ 3.93Å; Y274-F285 HydrophobicContact CE1-CZ 3.93Å; Y274-F285 AromaticContact CZ-CZ 3.82Å; Y274-F285 WeakPolarHBondContact OH-CE1 3.5Å; Y274-L351 WeakPolarHBondContact O-CA 3.5Å; Y274-H352 VanDerWaalsContact CB-CE1 3.45Å; Y274-H352 WeakPolarHBondContact CB-CE1 3.46Å; Y274-H352 AromaticContact CD2-CD2 3.87Å; Y274-H352 AromaticContact CD2-NE2 3.31Å; Y274-H352 VanDerWaalsContact CD2-NE2 3.31Å; Y274-H352 WeakPolarHBondContact CD2-NE2 3.25Å; Y274-H352 AromaticContact CG-CE1 3.85Å; Y274-H352 AromaticContact CG-NE2 3.53Å; Y274-H352 PolarHBondContact N-O 3.49Å; Y274-H352 PolarHBondContact O-N 3.12Å
275	L	94.2	Very high	89.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	100.7	171.6	173.6	57.7	0	0	0	107.8	Y190 V193 W233 Y236 G241 I242 F244 H349 T350 L351	Y190-L275 HydrophobicContact CD2-CD1 3.74Å; Y190-L275 HydrophobicContact CD2-CD2 3.99Å; Y190-L275 HydrophobicContact CE2-CD1 3.97Å; Y190-L275 HydrophobicContact CE2-CD2 3.77Å; Y190-L275 HydrophobicContact CE2-CG 4.47Å; V193-L275 HydrophobicContact CG1-CD2 3.97Å; W233-L275 HydrophobicContact CH2-CD2 4.19Å; W233-L275 HydrophobicContact CZ3-CD2 4.11Å; Y236-L275 HydrophobicContact CE2-CD1 4.36Å; Y236-L275 HydrophobicContact CE2-CD2 4.21Å; Y236-L275 HydrophobicContact CE2-CG 3.73Å; Y236-L275 WeakPolarHBondContact OH-CD1 3.24Å; G241-L275 CarbonylContact C-O 3.59Å; G241-L275 WeakPolarHBondContact CA-O 3.43Å; I242-L275 HydrophobicContact CB-CB 4.48Å; I242-L275 HydrophobicContact CD1-CD2 4.27Å; I242-L275 PolarHBondContact N-O 3.45Å; I242-L275 PolarHBondContact O-N 3.43Å; F244-L275 HydrophobicContact CE2-CB 4.44Å; L275-H349 HydrophobicContact CD1-CB 4.24Å; L275-T350 CarbonylContact C-O 3.6Å; L275-T350 WeakPolarHBondContact CA-O 3.35Å; L275-L351 HydrophobicContact CB-CD1 4.16Å
276	L	91.6	Very high	89.5	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.1	176.2	-49.3	-173	0	0	0	109.9	I211 Y236 L283 Q301 H349 T350	I211-L276 HydrophobicContact CD1-CD2 3.9Å; Y236-L276 PolarHBondContact OH-O 2.69Å; Y236-L276 VanDerWaalsContact OH-O 3.09Å; L276-L283 HydrophobicContact CD1-CD1 4.21Å; L276-L283 HydrophobicContact CD2-CD1 4.07Å; L276-Q301 VanDerWaalsContact CD1-NE2 3.34Å; L276-H349 WeakPolarHBondContact O-CA 3.48Å; L276-H349 VanDerWaalsContact O-CB 3.31Å; L276-H349 WeakPolarHBondContact O-CB 3.4Å; L276-T350 PolarHBondContact N-O 2.9Å; L276-T350 PolarHBondContact O-N 3Å
277	S	88.1	Confident	89.5	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-178.3	171.7	78.7	0	0	0	0	110.5	G239 K279	G239-S277 WeakPolarHBondContact CA-OG 3.18Å; G239-S277 PolarHBondContact O-OG 3.18Å; S277-K279 PolarHBondContact O-N 3.34Å; S277-K279 PolarHBondContact OG-N 2.84Å; S277-K279 VanDerWaalsContact OG-N 3.15Å
278	S	82	Confident	89.5	Confident	50 Å²	50	35.3 Å²	35.3	35%	0.35	19%	0.188	S	C	.	.	S	Bend	trans	-65.5	-24.3	171	52.5	0	0	0	0	113.2	N344 K348	S278-N344 VanDerWaalsContact O-CG 3.27Å; S278-N344 PolarHBondContact O-OD1 2.67Å; S278-K348 WeakPolarHBondContact CB-O 3.37Å; S278-K348 PolarHBondContact N-O 3.44Å; S278-K348 VanDerWaalsContact N-O 3.11Å
279	K	82	Confident	89.5	Confident	110 Å²	110	37.4 Å²	37.4	48%	0.478	20%	0.199	S	C	.	.	S	Bend	trans	-54.4	141.2	-177.4	-72.8	-167.3	177.5	174.8	0	110.2	Q238 S277 T281	Q238-K279 WeakPolarHBondContact O-CE 3.49Å; Q238-K279 PolarHBondContact O-NZ 2.82Å; S277-K279 PolarHBondContact O-N 3.34Å; S277-K279 PolarHBondContact OG-N 2.84Å; S277-K279 VanDerWaalsContact OG-N 3.15Å; K279-T281 PolarHBondContact O-N 3.42Å; K279-T281 PolarHBondContact O-OG1 2.84Å
280	P	79.6	Confident	89.5	Confident	74 Å²	74	38.5 Å²	38.5	48%	0.481	20%	0.204	S	C	.	.			trans	-54.9	135.5	169.1	-15.9	28.8	0	0	0	108.2	N344	P280-N344 HydrophobicContact CG-CB 4.07Å
281	T	81.6	Confident	89.7	Confident	11 Å²	11	36.2 Å²	36.2	7%	0.067	19%	0.19	C	C	.	.			trans	-146.2	133.5	176.9	-54.2	0	0	0	0	107.9	D213 K279 L283 H342	D213-T281 WeakPolarHBondContact OD1-CA 3.4Å; K279-T281 PolarHBondContact O-N 3.42Å; K279-T281 PolarHBondContact O-OG1 2.84Å; T281-L283 HydrophobicContact CG2-CD2 3.69Å; T281-L283 HydrophobicContact CG2-CG 3.96Å; T281-H342 PolarHBondContact O-N 2.94Å
282	E	85.2	Confident	89.8	Confident	94 Å²	94	36.4 Å²	36.4	44%	0.439	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.6	173	-166.5	177.5	128.2	0	0	111.4	D213 T339 I340	D213-E282 PolarHBondContact OD1-N 3.25Å; D213-E282 VanDerWaalsContact OD1-N 3.15Å; E282-T339 HydrophobicContact CG-CG2 3.48Å; E282-T339 VanDerWaalsContact CG-CG2 3.48Å; E282-T339 WeakPolarHBondContact OE1-CG2 3.45Å; E282-I340 CarbonylContact C-O 3.58Å; E282-I340 WeakPolarHBondContact CA-O 3.4Å
283	L	87.3	Confident	89.9	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	101.3	-178.6	-56	-178.5	0	0	0	110	I211 L216 Y274 L276 T281 F285 T339 I340	I211-L283 HydrophobicContact CD1-CD1 4.1Å; I211-L283 HydrophobicContact CG2-CD1 4.11Å; I211-L283 HydrophobicContact CG2-CD2 3.42Å; I211-L283 VanDerWaalsContact CG2-CD2 3.42Å; I211-L283 HydrophobicContact CG2-CG 4.4Å; L216-L283 HydrophobicContact CD1-CB 4.15Å; L216-L283 HydrophobicContact CD1-CD2 4.42Å; L216-L283 HydrophobicContact CG-CD2 4.22Å; Y274-L283 HydrophobicContact CD1-CD1 4.21Å; Y274-L283 HydrophobicContact CE1-CD1 4.47Å; L276-L283 HydrophobicContact CD1-CD1 4.21Å; L276-L283 HydrophobicContact CD2-CD1 4.07Å; T281-L283 HydrophobicContact CG2-CD2 3.69Å; T281-L283 HydrophobicContact CG2-CG 3.96Å; L283-F285 HydrophobicContact CB-CE2 3.79Å; L283-F285 HydrophobicContact CB-CZ 4.38Å; L283-F285 WeakPolarHBondContact O-CD2 3.44Å; L283-T339 CarbonylContact O-C 3.5Å; L283-T339 WeakPolarHBondContact O-CA 3.4Å; L283-I340 HydrophobicContact CB-CB 4.39Å; L283-I340 PolarHBondContact N-O 3.43Å; L283-I340 PolarHBondContact O-N 3.03Å
284	S	87.6	Confident	89.9	Confident	30 Å²	30	35.5 Å²	35.5	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.6	175.2	-76.8	0	0	0	0	111.9	T339	S284-T339 VanDerWaalsContact OG-CG2 3.23Å; S284-T339 WeakPolarHBondContact OG-CG2 3.5Å; S284-T339 PolarHBondContact OG-OG1 3.13Å
285	F	88.4	Confident	89.9	Confident	39 Å²	39	34.9 Å²	34.9	17%	0.171	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.4	178.4	-63.3	-99.3	0	0	0	111.2	L216 Y274 L283 A337 H338 I340	L216-F285 HydrophobicContact CD1-CD1 4.02Å; L216-F285 HydrophobicContact CD1-CD2 4.48Å; L216-F285 HydrophobicContact CD1-CE1 3.33Å; L216-F285 HydrophobicContact CD1-CE2 3.86Å; L216-F285 HydrophobicContact CD1-CZ 3.24Å; Y274-F285 AromaticContact CE1-CZ 3.93Å; Y274-F285 HydrophobicContact CE1-CZ 3.93Å; Y274-F285 AromaticContact CZ-CZ 3.82Å; Y274-F285 WeakPolarHBondContact OH-CE1 3.5Å; L283-F285 HydrophobicContact CB-CE2 3.79Å; L283-F285 HydrophobicContact CB-CZ 4.38Å; L283-F285 WeakPolarHBondContact O-CD2 3.44Å; F285-A337 WeakPolarHBondContact O-CB 3.34Å; F285-H338 WeakPolarHBondContact CB-O 3.42Å; F285-H338 AromaticContact CD2-CD2 3.72Å; F285-H338 AromaticContact CD2-CE1 3.83Å; F285-H338 AromaticContact CD2-NE2 3.34Å; F285-H338 VanDerWaalsContact CD2-NE2 3.34Å; F285-H338 WeakPolarHBondContact CD2-NE2 3.48Å; F285-H338 AromaticContact CE2-NE2 3.76Å; F285-H338 AromaticContact CG-CE1 3.67Å; F285-H338 AromaticContact CG-NE2 3.68Å; F285-H338 PolarHBondContact N-O 3.31Å; F285-I340 HydrophobicContact CD2-CD1 4.48Å; F285-I340 HydrophobicContact CD2-CG1 4.41Å; F285-I340 HydrophobicContact CE2-CD1 3.63Å; F285-I340 HydrophobicContact CE2-CG1 3.91Å; F285-I340 HydrophobicContact CZ-CD1 4.29Å
286	N	87.5	Confident	89.8	Confident	102 Å²	102	34.9 Å²	34.9	55%	0.545	18%	0.184	S	C	.	.			trans	-67.6	178.7	171.8	-76.7	-33.1	0	0	0	111.8	K217 L288	K217-N286 WeakPolarHBondContact CE-OD1 3.45Å; K217-N286 PolarHBondContact NZ-OD1 2.87Å; N286-L288 PolarHBondContact O-N 3.35Å
287	Q	90.1	Very high	89.9	Confident	95 Å²	95	36 Å²	36	44%	0.444	19%	0.189	S	C	.	.			trans	-57.9	125.1	172.1	-67.3	-177.6	-91.7	0	0	110.6	N308 G335 F336 A337	Q287-N308 PolarHBondContact OE1-ND2 3.46Å; Q287-N308 VanDerWaalsContact OE1-ND2 3.15Å; Q287-G335 PolarHBondContact NE2-O 3.26Å; Q287-F336 WeakPolarHBondContact CA-O 3.27Å; Q287-A337 HydrophobicContact CG-CB 4.23Å
288	L	92.2	Very high	90	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.089	20%	0.197	C	C	.	.			trans	-64.1	137.7	179	-62	173.5	0	0	0	111.3	N286 H290 L292 I332 K334 G335 F336	N286-L288 PolarHBondContact O-N 3.35Å; L288-H290 VanDerWaalsContact C-N 3.34Å; L288-H290 WeakPolarHBondContact CB-O 3.4Å; L288-L292 HydrophobicContact CD1-CB 3.83Å; L288-L292 HydrophobicContact CD1-CD2 3.84Å; L288-L292 HydrophobicContact CD1-CG 4.5Å; L288-L292 HydrophobicContact CD2-CD2 4.36Å; L288-I332 HydrophobicContact CD1-CB 4.07Å; L288-I332 HydrophobicContact CD1-CG2 3.76Å; L288-K334 WeakPolarHBondContact O-CG 3.47Å; L288-G335 PolarHBondContact O-N 2.76Å; L288-F336 WeakPolarHBondContact CG-O 3.25Å; L288-F336 PolarHBondContact N-O 2.65Å
289	D	92.8	Very high	90.4	Very high	70 Å²	70	36 Å²	36	37%	0.374	19%	0.185	S	C	.	.	S	Bend	trans	-90.4	-1.5	171.2	69.6	-33.9	0	0	0	113.1	K334 Q359	D289-K334 VanDerWaalsContact O-CD 3.24Å; D289-K334 WeakPolarHBondContact O-CD 3.03Å; D289-K334 WeakPolarHBondContact O-CE 3.36Å; D289-K334 PolarHBondContact O-NZ 3.05Å; D289-Q359 WeakPolarHBondContact OD2-CG 3.4Å; D289-Q359 PolarHBondContact OD2-NE2 2.98Å
290	H	95	Very high	90.7	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.125	17%	0.168	C	C	.	.	S	Bend	trans	-135.9	167.6	-174.8	59.1	-94.7	0	0	0	111.4	L288 K334 S356 F357 Q359	L288-H290 VanDerWaalsContact C-N 3.34Å; L288-H290 WeakPolarHBondContact CB-O 3.4Å; H290-K334 VanDerWaalsContact O-CA 3.27Å; H290-K334 WeakPolarHBondContact O-CA 3.42Å; H290-K334 PolarHBondContact O-N 3.13Å; H290-S356 VanDerWaalsContact CD2-CB 3.42Å; H290-S356 WeakPolarHBondContact CD2-CB 3.33Å; H290-S356 PolarHBondContact CD2-OG 2.91Å; H290-S356 PolarHBondContact NE2-OG 3.21Å; H290-F357 WeakPolarHBondContact CB-O 3.48Å; H290-Q359 HydrophobicContact CB-CB 3.92Å; H290-Q359 HydrophobicContact CB-CG 4.26Å
291	D	97	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142.2	167.5	-75.4	-68.3	0	0	0	109.9	Q171 Y331 P333 K334 S356 F357 N358	Q171-D291 WeakPolarHBondContact CG-OD2 3.33Å; Q171-D291 PolarHBondContact NE2-OD2 3.32Å; D291-Y331 HydrophobicContact CB-CE2 4.13Å; D291-Y331 PolarHBondContact OD1-OH 2.93Å; D291-P333 VanDerWaalsContact OD1-CA 3.27Å; D291-P333 WeakPolarHBondContact OD1-CA 3.48Å; D291-K334 PolarHBondContact OD1-N 3.17Å; D291-S356 WeakPolarHBondContact O-CA 3.39Å; D291-F357 HydrophobicContact CB-CD1 3.89Å; D291-F357 HydrophobicContact CB-CD2 4.27Å; D291-F357 HydrophobicContact CB-CE1 3.55Å; D291-F357 HydrophobicContact CB-CE2 4Å; D291-F357 HydrophobicContact CB-CG 4.23Å; D291-F357 HydrophobicContact CB-CZ 3.61Å; D291-F357 PolarHBondContact N-O 3.06Å; D291-F357 WeakPolarHBondContact O-CD1 3.39Å; D291-F357 PolarHBondContact O-N 3.01Å; D291-N358 HydrophobicContact CB-CB 4.45Å; D291-N358 WeakPolarHBondContact OD2-CB 3.31Å; D291-N358 PolarHBondContact OD2-ND2 3.1Å
292	L	97.6	Very high	91.8	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	-170.8	174	61.8	0	0	0	112.1	L288 I294 Y331 I332 C354	L288-L292 HydrophobicContact CD1-CB 3.83Å; L288-L292 HydrophobicContact CD1-CD2 3.84Å; L288-L292 HydrophobicContact CD1-CG 4.5Å; L288-L292 HydrophobicContact CD2-CD2 4.36Å; L292-I294 HydrophobicContact CD1-CG1 4.22Å; L292-I294 HydrophobicContact CD2-CD1 3.84Å; L292-I294 HydrophobicContact CD2-CG1 3.86Å; L292-I294 HydrophobicContact CG-CD1 4.32Å; L292-I294 HydrophobicContact CG-CG1 3.78Å; L292-Y331 CarbonylContact O-C 3.55Å; L292-Y331 WeakPolarHBondContact O-CA 3.49Å; L292-Y331 WeakPolarHBondContact O-CD2 3.42Å; L292-I332 PolarHBondContact N-O 2.9Å; L292-I332 PolarHBondContact O-N 3.31Å; L292-C354 HydrophobicContact CD1-CB 3.66Å
293	F	97.3	Very high	92.2	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	162.6	-69.4	-65.6	0	0	0	110.1	L153 L157 F165 L329 Y331 C354 I355 F357	L153-F293 HydrophobicContact CD1-CE2 4.34Å; L153-F293 HydrophobicContact CD1-CZ 4.19Å; L157-F293 HydrophobicContact CD2-CE1 4Å; L157-F293 HydrophobicContact CD2-CZ 4.46Å; F165-F293 HydrophobicContact CE1-CZ 4.31Å; F165-F293 HydrophobicContact CE2-CE1 4.03Å; F165-F293 HydrophobicContact CE2-CZ 4.21Å; F165-F293 AromaticContact CZ-CE1 3.97Å; F165-F293 HydrophobicContact CZ-CE1 3.97Å; F165-F293 AromaticContact CZ-CZ 3.67Å; F165-F293 HydrophobicContact CZ-CZ 3.67Å; F293-L329 HydrophobicContact CB-CD1 3.94Å; F293-L329 HydrophobicContact CD1-CD1 3.92Å; F293-L329 HydrophobicContact CD1-CD2 4.07Å; F293-L329 HydrophobicContact CD1-CG 4.42Å; F293-L329 HydrophobicContact CE1-CD2 4.36Å; F293-L329 HydrophobicContact CG-CD1 4.33Å; F293-Y331 AromaticContact CD1-CD2 3.66Å; F293-Y331 HydrophobicContact CD1-CD2 3.66Å; F293-Y331 HydrophobicContact CD1-CG 4.12Å; F293-Y331 AromaticContact CE1-CD2 3.47Å; F293-Y331 HydrophobicContact CE1-CD2 3.47Å; F293-Y331 VanDerWaalsContact CE1-CD2 3.47Å; F293-Y331 HydrophobicContact CE1-CE2 4.36Å; F293-Y331 AromaticContact CE1-CG 3.89Å; F293-Y331 HydrophobicContact CE1-CG 3.89Å; F293-Y331 HydrophobicContact CG-CD2 4.34Å; F293-Y331 HydrophobicContact CZ-CD2 4.02Å; F293-C354 CarbonylContact O-C 3.57Å; F293-C354 WeakPolarHBondContact O-CA 3.36Å; F293-I355 HydrophobicContact CB-CB 4.26Å; F293-I355 PolarHBondContact N-O 3.03Å; F293-I355 PolarHBondContact O-N 3.32Å; F293-F357 HydrophobicContact CD2-CD1 4.14Å; F293-F357 AromaticContact CD2-CE1 3.41Å; F293-F357 HydrophobicContact CD2-CE1 3.41Å; F293-F357 VanDerWaalsContact CD2-CE1 3.41Å; F293-F357 AromaticContact CD2-CZ 3.99Å; F293-F357 HydrophobicContact CD2-CZ 3.99Å; F293-F357 HydrophobicContact CE2-CD1 4.29Å; F293-F357 AromaticContact CE2-CE1 3.34Å; F293-F357 HydrophobicContact CE2-CE1 3.34Å; F293-F357 HydrophobicContact CE2-CE2 4.38Å; F293-F357 AromaticContact CE2-CZ 3.39Å; F293-F357 HydrophobicContact CE2-CZ 3.39Å; F293-F357 HydrophobicContact CG-CE1 4.31Å; F293-F357 HydrophobicContact CZ-CE1 4.19Å; F293-F357 AromaticContact CZ-CZ 3.96Å; F293-F357 HydrophobicContact CZ-CZ 3.96Å
294	I	96.2	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.2	176.7	-50.8	-175.3	0	0	0	108.6	L292 F303 L324 L329 L330 I332 H352 L353	L292-I294 HydrophobicContact CD1-CG1 4.22Å; L292-I294 HydrophobicContact CD2-CD1 3.84Å; L292-I294 HydrophobicContact CD2-CG1 3.86Å; L292-I294 HydrophobicContact CG-CD1 4.32Å; L292-I294 HydrophobicContact CG-CG1 3.78Å; I294-F303 HydrophobicContact CD1-CD1 3.99Å; I294-F303 HydrophobicContact CD1-CE1 3.57Å; I294-F303 HydrophobicContact CD1-CZ 4.43Å; I294-F303 HydrophobicContact CG2-CE1 4.01Å; I294-F303 HydrophobicContact CG2-CZ 3.83Å; I294-L324 HydrophobicContact CG2-CD1 4.24Å; I294-L329 CarbonylContact O-C 3.6Å; I294-L329 WeakPolarHBondContact O-CA 3.2Å; I294-L330 HydrophobicContact CB-CB 4.29Å; I294-L330 HydrophobicContact CD1-CD2 4.45Å; I294-L330 PolarHBondContact N-O 3.16Å; I294-L330 PolarHBondContact O-N 2.91Å; I294-I332 HydrophobicContact CD1-CD1 3.83Å; I294-H352 HydrophobicContact CG2-CB 4.26Å; I294-L353 CarbonylContact C-O 3.56Å; I294-L353 WeakPolarHBondContact CA-O 3.44Å
295	L	94.3	Very high	92.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.1	179.6	-73	159.1	0	0	0	109	W187 Q297 L329 H352 L353 I355	W187-L295 HydrophobicContact CD2-CD1 4.25Å; W187-L295 HydrophobicContact CG-CD1 4.38Å; L295-Q297 PolarHBondContact O-N 3.17Å; L295-L329 HydrophobicContact CD2-CB 4.29Å; L295-L329 HydrophobicContact CD2-CD1 3.66Å; L295-L329 HydrophobicContact CG-CD1 3.84Å; L295-H352 WeakPolarHBondContact O-CA 3.4Å; L295-L353 HydrophobicContact CD1-CD2 4.26Å; L295-L353 PolarHBondContact N-O 3.34Å; L295-L353 PolarHBondContact O-N 3.45Å; L295-I355 HydrophobicContact CD1-CD1 3.73Å; L295-I355 HydrophobicContact CD1-CG1 4.38Å
296	Q	93.3	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116.9	176	-169.4	77	47.2	0	0	109.1	E298 L324 K325 G327 D328 L351	Q296-E298 PolarHBondContact NE2-O 3.19Å; Q296-L324 HydrophobicContact CB-CB 3.92Å; Q296-L324 HydrophobicContact CB-CD1 4.41Å; Q296-L324 HydrophobicContact CG-CB 4.17Å; Q296-K325 WeakPolarHBondContact CB-O 3.38Å; Q296-G327 PolarHBondContact O-N 3Å; Q296-D328 PolarHBondContact N-O 3.47Å; Q296-D328 VanDerWaalsContact N-O 3.14Å; Q296-L351 PolarHBondContact NE2-O 2.98Å
297	Q	92.2	Very high	92.8	Very high	25 Å²	25	24 Å²	24	12%	0.117	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-49	-179.7	-58.6	-59.7	-88.4	0	0	111.1	L188 L295 P326 L351 L353	L188-Q297 HydrophobicContact CB-CG 4.39Å; L188-Q297 VanDerWaalsContact N-OE1 3.15Å; L188-Q297 WeakPolarHBondContact O-CB 3.49Å; L188-Q297 WeakPolarHBondContact O-CG 3.35Å; L188-Q297 PolarHBondContact O-OE1 2.88Å; L295-Q297 PolarHBondContact O-N 3.17Å; Q297-P326 WeakPolarHBondContact O-CB 3.08Å; Q297-L351 WeakPolarHBondContact CA-O 3.23Å; Q297-L351 HydrophobicContact CB-CB 4.44Å; Q297-L351 HydrophobicContact CB-CD2 4.22Å; Q297-L351 HydrophobicContact CB-CG 4.16Å; Q297-L351 PolarHBondContact N-O 2.98Å; Q297-L353 HydrophobicContact CG-CB 4.34Å
298	E	90.8	Very high	91.8	Very high	45 Å²	45	22.9 Å²	22.9	21%	0.21	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	-177.5	-57.5	179.4	-150.6	0	0	111.7	N189 Y190 Q296 H349 T350 L351	N189-E298 WeakPolarHBondContact CA-OE1 3.4Å; N189-E298 VanDerWaalsContact CB-OE1 3.28Å; N189-E298 WeakPolarHBondContact CB-OE1 3.49Å; Y190-E298 PolarHBondContact N-OE1 3.27Å; Q296-E298 PolarHBondContact NE2-O 3.19Å; E298-H349 IonicContact OE2-CD2 2.68Å; E298-H349 IonicContact OE2-CE1 2.69Å; E298-H349 PolarHBondContact OE2-CE1 3.45Å; E298-H349 IonicContact OE2-NE2 2.79Å; E298-H349 PolarHBondContact OE2-NE2 3.09Å; E298-T350 WeakPolarHBondContact O-CA 3.44Å; E298-L351 HydrophobicContact CB-CB 3.96Å; E298-L351 HydrophobicContact CG-CB 4.39Å; E298-L351 PolarHBondContact N-O 3.17Å; E298-L351 PolarHBondContact O-N 3.41Å
299	G	89.6	Confident	90.4	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	14%	0.142	C	C	.	.	S	Bend	trans	64	-162.5	-175.9	0	0	0	0	0	113.7	P326	G299-P326 WeakPolarHBondContact O-CD 3.31Å; G299-P326 WeakPolarHBondContact O-CG 3.37Å
300	S	89.4	Confident	88.1	Confident	16 Å²	16	28 Å²	28	11%	0.112	14%	0.144	C	C	.	.			trans	-146.3	137.1	-176.4	-179.1	0	0	0	0	111.5	K323 L324 H342 N347	S300-K323 WeakPolarHBondContact OG-CE 3.48Å; S300-L324 VanDerWaalsContact CA-O 3.29Å; S300-L324 WeakPolarHBondContact CA-O 3.31Å; S300-L324 VanDerWaalsContact CB-O 3.3Å; S300-L324 WeakPolarHBondContact CB-O 3.36Å; S300-L324 PolarHBondContact OG-O 2.87Å; S300-H342 PolarHBondContact O-ND1 3.34Å; S300-H342 VanDerWaalsContact O-ND1 3.16Å; S300-N347 PolarHBondContact N-ND2 2.92Å
301	Q	91.1	Very high	85.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.9	-174.4	-64.7	173.6	-86.8	0	0	110.2	L276 F303 K323 L324 I340 H342 T350 H352	L276-Q301 VanDerWaalsContact CD1-NE2 3.34Å; Q301-F303 HydrophobicContact CB-CD2 4.4Å; Q301-F303 HydrophobicContact CB-CE2 3.8Å; Q301-K323 WeakPolarHBondContact O-CA 3.41Å; Q301-L324 PolarHBondContact N-O 3.1Å; Q301-L324 PolarHBondContact O-N 2.9Å; Q301-I340 HydrophobicContact CB-CG2 4.14Å; Q301-H342 HydrophobicContact CG-CB 4.46Å; Q301-T350 HydrophobicContact CG-CG2 3.72Å; Q301-T350 PolarHBondContact NE2-OG1 2.79Å; Q301-T350 PolarHBondContact OE1-OG1 2.97Å; Q301-H352 PolarHBondContact OE1-ND1 2.81Å
302	K	92.9	Very high	82.9	Confident	66 Å²	66	41.4 Å²	41.4	29%	0.287	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.6	172.5	-61.5	171.3	-167.1	163.2	0	108.1	V322 K323 I340 S341 D343	K302-V322 CarbonylContact C-O 3.5Å; K302-V322 WeakPolarHBondContact CA-O 3.4Å; K302-K323 HydrophobicContact CG-CB 4.48Å; K302-K323 HydrophobicContact CG-CG 4.37Å; K302-I340 CarbonylContact O-C 3.58Å; K302-I340 WeakPolarHBondContact O-CA 3.35Å; K302-S341 PolarHBondContact N-O 2.91Å; K302-S341 PolarHBondContact O-N 3.21Å; K302-D343 VanDerWaalsContact CE-OD2 3.27Å; K302-D343 WeakPolarHBondContact CE-OD2 3.35Å; K302-D343 IonicContact NZ-OD2 2.66Å; K302-D343 PolarHBondContact NZ-OD2 3.13Å
303	F	94.2	Very high	79.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.3	177.2	-73.8	-99.8	0	0	0	108.4	I294 Q301 V322 L324 L330 T339 I340	I294-F303 HydrophobicContact CD1-CD1 3.99Å; I294-F303 HydrophobicContact CD1-CE1 3.57Å; I294-F303 HydrophobicContact CD1-CZ 4.43Å; I294-F303 HydrophobicContact CG2-CE1 4.01Å; I294-F303 HydrophobicContact CG2-CZ 3.83Å; Q301-F303 HydrophobicContact CB-CD2 4.4Å; Q301-F303 HydrophobicContact CB-CE2 3.8Å; F303-V322 HydrophobicContact CB-CB 4.47Å; F303-V322 PolarHBondContact N-O 2.79Å; F303-V322 PolarHBondContact O-N 2.94Å; F303-L324 HydrophobicContact CD2-CB 4.46Å; F303-L324 HydrophobicContact CD2-CD1 3.69Å; F303-L324 HydrophobicContact CD2-CG 3.73Å; F303-L324 HydrophobicContact CE2-CB 4.32Å; F303-L324 HydrophobicContact CE2-CD1 3.46Å; F303-L324 VanDerWaalsContact CE2-CD1 3.46Å; F303-L324 HydrophobicContact CE2-CG 3.87Å; F303-L324 HydrophobicContact CG-CD1 4.47Å; F303-L324 HydrophobicContact CZ-CD1 4.08Å; F303-L330 HydrophobicContact CB-CD2 3.77Å; F303-L330 HydrophobicContact CD1-CD2 4.02Å; F303-L330 HydrophobicContact CG-CD2 3.89Å; F303-T339 CarbonylContact C-O 3.52Å; F303-T339 WeakPolarHBondContact CA-O 3.26Å; F303-I340 HydrophobicContact CD1-CD1 4.31Å; F303-I340 HydrophobicContact CD1-CG1 3.83Å; F303-I340 HydrophobicContact CD1-CG2 4.41Å; F303-I340 HydrophobicContact CE1-CB 4.29Å; F303-I340 HydrophobicContact CE1-CD1 3.51Å; F303-I340 HydrophobicContact CE1-CG1 3.51Å; F303-I340 HydrophobicContact CE1-CG2 3.95Å; F303-I340 HydrophobicContact CE2-CG2 4.19Å; F303-I340 HydrophobicContact CZ-CD1 4.07Å; F303-I340 HydrophobicContact CZ-CG1 4.24Å; F303-I340 HydrophobicContact CZ-CG2 3.83Å
304	Q	94.1	Very high	76.8	Confident	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.1	175.3	-176.4	-179	-18	0	0	108.4	V319 L321 H338 T339	Q304-V319 HydrophobicContact CG-CG1 3.37Å; Q304-L321 HydrophobicContact CB-CD1 4.04Å; Q304-H338 CarbonylContact O-C 3.48Å; Q304-H338 VanDerWaalsContact O-CA 3.24Å; Q304-H338 WeakPolarHBondContact O-CA 3.4Å; Q304-T339 PolarHBondContact N-O 2.81Å; Q304-T339 PolarHBondContact O-N 2.96Å
305	I	93.8	Very high	73.8	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.9	-175.5	-45.8	167.4	0	0	0	108.6	P174 V319 S320 V322 L330 I332 F336	P174-I305 HydrophobicContact CB-CD1 3.95Å; P174-I305 HydrophobicContact CB-CG2 4.49Å; P174-I305 HydrophobicContact CG-CD1 4.46Å; P174-I305 HydrophobicContact CG-CG2 3.9Å; I305-V319 CarbonylContact O-C 3.54Å; I305-V319 VanDerWaalsContact O-CA 3.31Å; I305-V319 WeakPolarHBondContact O-CA 3.44Å; I305-S320 PolarHBondContact N-O 3.39Å; I305-S320 PolarHBondContact O-N 3.13Å; I305-V322 HydrophobicContact CD1-CG2 4.42Å; I305-L330 HydrophobicContact CD1-CD1 3.58Å; I305-L330 HydrophobicContact CD1-CD2 3.84Å; I305-L330 HydrophobicContact CD1-CG 4.23Å; I305-L330 HydrophobicContact CG1-CD2 4.34Å; I305-I332 HydrophobicContact CD1-CD1 4.48Å; I305-I332 HydrophobicContact CD1-CG1 4.45Å; I305-I332 HydrophobicContact CG1-CD1 4.32Å; I305-I332 HydrophobicContact CG2-CG2 4.23Å; I305-F336 HydrophobicContact CG2-CB 4.31Å; I305-F336 HydrophobicContact CG2-CD1 3.98Å
306	S	91.1	Very high	71.3	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.161	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.2	179.7	65.3	0	0	0	0	111.9	F336 A337	S306-F336 WeakPolarHBondContact O-CA 3.46Å; S306-A337 PolarHBondContact N-O 2.88Å; S306-A337 PolarHBondContact O-N 2.88Å; S306-A337 VanDerWaalsContact O-O 3.14Å; S306-A337 PolarHBondContact OG-O 3.31Å
307	S	84.2	Confident	69.4	Low	18 Å²	18	70.9 Å²	70.9	13%	0.126	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.9	177	-160.9	0	0	0	0	110.6	K309	S307-K309 VanDerWaalsContact C-N 3.26Å; S307-K309 PolarHBondContact OG-N 2.99Å
308	N	68.3	Low	67.7	Low	72 Å²	72	76.2 Å²	76.2	39%	0.385	42%	0.415	S	S	.	.			trans	-90.4	18.9	168.9	-60.4	-25.3	0	0	0	111.8	Q287 T310	Q287-N308 PolarHBondContact OE1-ND2 3.46Å; Q287-N308 VanDerWaalsContact OE1-ND2 3.15Å; N308-T310 PolarHBondContact O-N 3.02Å
309	K	62.3	Low	66.6	Low	127 Å²	127	77.4 Å²	77.4	55%	0.552	43%	0.425	S	S	*	.			trans	-73.3	54.5	173	-68.2	-174.9	-177.5	177.7	0	111.2	S307 N311	S307-K309 VanDerWaalsContact C-N 3.26Å; S307-K309 PolarHBondContact OG-N 2.99Å; K309-N311 VanDerWaalsContact C-N 3.35Å; K309-N311 PolarHBondContact O-N 2.9Å
310	T	46.3	Very low	66.3	Low	68 Å²	68	79.8 Å²	79.8	42%	0.417	44%	0.44	S	S	.	.			trans	-97.8	38.4	179.3	56.3	0	0	0	0	112	N308 L312 G315	N308-T310 PolarHBondContact O-N 3.02Å; T310-L312 PolarHBondContact O-N 2.86Å; T310-G315 WeakPolarHBondContact CG2-O 3.19Å
311	N	43.7	Very low	66.3	Low	166 Å²	166	84.7 Å²	84.7	89%	0.888	47%	0.465	S	S	*	.			trans	-72.4	-4.4	167.8	-79	-5.9	0	0	0	112.4	K309	K309-N311 VanDerWaalsContact C-N 3.35Å; K309-N311 PolarHBondContact O-N 2.9Å
312	L	38.2	Very low	66.4	Low	142 Å²	142	85.3 Å²	85.3	74%	0.743	47%	0.468	S	S	*	.	S	Bend	trans	-85.2	109.1	157.6	-65.6	171.1	0	0	0	108.2	T310 G314 G315	T310-L312 PolarHBondContact O-N 2.86Å; L312-G314 PolarHBondContact O-N 2.9Å; L312-G314 VanDerWaalsContact O-N 3.08Å; L312-G315 PolarHBondContact O-N 3.01Å; L312-G315 VanDerWaalsContact O-N 3.13Å
313	K	31.7	Very low	66.4	Low	220 Å²	220	87.3 Å²	87.3	96%	0.957	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	114.3	176.3	-69.8	-179.8	176.4	179.6	0	109.6
314	G	34.9	Very low	66.3	Low	82 Å²	82	87.3 Å²	87.3	85%	0.845	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.9	1.3	178.9	0	0	0	0	0	116.3	L312 N316	L312-G314 PolarHBondContact O-N 2.9Å; L312-G314 VanDerWaalsContact O-N 3.08Å; G314-N316 PolarHBondContact O-N 2.81Å
315	G	33.8	Very low	66.1	Low	41 Å²	41	89.7 Å²	89.7	42%	0.423	49%	0.486	S	S	.	.			trans	-69.3	117.1	-179.6	0	0	0	0	0	114.3	T310 L312	T310-G315 WeakPolarHBondContact CG2-O 3.19Å; L312-G315 PolarHBondContact O-N 3.01Å; L312-G315 VanDerWaalsContact O-N 3.13Å
316	N	41.2	Very low	65.9	Low	144 Å²	144	92.3 Å²	92.3	77%	0.77	50%	0.503	S	S	*	.			trans	-52.7	145	163.5	-93.2	-28.8	0	0	0	110.7	G314 N318	G314-N316 PolarHBondContact O-N 2.81Å; N316-N318 PolarHBondContact O-N 2.91Å
317	K	53.3	Low	65.8	Low	137 Å²	137	91.5 Å²	91.5	60%	0.596	50%	0.499	S	S	*	.			trans	-62.2	106	167.5	-74.7	179.9	177.7	176	0	108.1	V319	K317-V319 VanDerWaalsContact C-N 3.29Å; K317-V319 HydrophobicContact CB-CG2 4.19Å; K317-V319 PolarHBondContact O-N 3.47Å
318	N	57	Low	66.2	Low	137 Å²	137	90.9 Å²	90.9	73%	0.733	49%	0.494	S	S	*	.			trans	-67.9	92.6	171.1	-75.9	-11.9	0	0	0	108.5	N316	N316-N318 PolarHBondContact O-N 2.91Å
319	V	67.9	Low	67.5	Low	70 Å²	70	87.5 Å²	87.5	42%	0.424	48%	0.476	S	S	.	.			trans	-88.6	113	177.5	173.8	0	0	0	0	108.6	Q304 I305 K317	Q304-V319 HydrophobicContact CG-CG1 3.37Å; I305-V319 CarbonylContact O-C 3.54Å; I305-V319 VanDerWaalsContact O-CA 3.31Å; I305-V319 WeakPolarHBondContact O-CA 3.44Å; K317-V319 VanDerWaalsContact C-N 3.29Å; K317-V319 HydrophobicContact CB-CG2 4.19Å; K317-V319 PolarHBondContact O-N 3.47Å
320	S	82.4	Confident	69.1	Low	61 Å²	61	81.5 Å²	81.5	43%	0.427	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.4	170.9	-170.2	0	0	0	0	109	I305	I305-S320 PolarHBondContact N-O 3.39Å; I305-S320 PolarHBondContact O-N 3.13Å
321	L	90.1	Very high	71.5	Confident	119 Å²	119	78.2 Å²	78.2	62%	0.623	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	173.2	-171.7	70.6	0	0	0	109.6	Q304	Q304-L321 HydrophobicContact CB-CD1 4.04Å
322	V	93.1	Very high	74	Confident	13 Å²	13	70.3 Å²	70.3	8%	0.079	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.5	-176.7	171.4	0	0	0	0	108.7	H176 K302 F303 I305 L324	H176-V322 HydrophobicContact CB-CG1 4.15Å; H176-V322 HydrophobicContact CB-CG2 4.28Å; H176-V322 WeakPolarHBondContact ND1-CG1 3.43Å; K302-V322 CarbonylContact C-O 3.5Å; K302-V322 WeakPolarHBondContact CA-O 3.4Å; F303-V322 HydrophobicContact CB-CB 4.47Å; F303-V322 PolarHBondContact N-O 2.79Å; F303-V322 PolarHBondContact O-N 2.94Å; I305-V322 HydrophobicContact CD1-CG2 4.42Å; V322-L324 HydrophobicContact CG1-CD2 3.54Å; V322-L324 HydrophobicContact CG1-CG 4.27Å
323	K	92.5	Very high	76.8	Confident	108 Å²	108	63.6 Å²	63.6	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.4	169	-177.1	174.2	-178.5	170.2	0	108.8	S300 Q301 K302	S300-K323 WeakPolarHBondContact OG-CE 3.48Å; Q301-K323 WeakPolarHBondContact O-CA 3.41Å; K302-K323 HydrophobicContact CG-CB 4.48Å; K302-K323 HydrophobicContact CG-CG 4.37Å
324	L	92.1	Very high	79.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.8	177.3	-55.5	-173.7	0	0	0	110.7	H176 I294 Q296 S300 Q301 F303 V322 D328 L330	H176-L324 VanDerWaalsContact CD2-CD2 3.49Å; H176-L324 WeakPolarHBondContact CD2-CD2 3.44Å; H176-L324 WeakPolarHBondContact NE2-CD2 3.08Å; I294-L324 HydrophobicContact CG2-CD1 4.24Å; Q296-L324 HydrophobicContact CB-CB 3.92Å; Q296-L324 HydrophobicContact CB-CD1 4.41Å; Q296-L324 HydrophobicContact CG-CB 4.17Å; S300-L324 VanDerWaalsContact CA-O 3.29Å; S300-L324 WeakPolarHBondContact CA-O 3.31Å; S300-L324 VanDerWaalsContact CB-O 3.3Å; S300-L324 WeakPolarHBondContact CB-O 3.36Å; S300-L324 PolarHBondContact OG-O 2.87Å; Q301-L324 PolarHBondContact N-O 3.1Å; Q301-L324 PolarHBondContact O-N 2.9Å; F303-L324 HydrophobicContact CD2-CB 4.46Å; F303-L324 HydrophobicContact CD2-CD1 3.69Å; F303-L324 HydrophobicContact CD2-CG 3.73Å; F303-L324 HydrophobicContact CE2-CB 4.32Å; F303-L324 HydrophobicContact CE2-CD1 3.46Å; F303-L324 VanDerWaalsContact CE2-CD1 3.46Å; F303-L324 HydrophobicContact CE2-CG 3.87Å; F303-L324 HydrophobicContact CG-CD1 4.47Å; F303-L324 HydrophobicContact CZ-CD1 4.08Å; V322-L324 HydrophobicContact CG1-CD2 3.54Å; V322-L324 HydrophobicContact CG1-CG 4.27Å; L324-D328 HydrophobicContact CB-CB 4.25Å; L324-D328 HydrophobicContact CD2-CB 3.95Å; L324-L330 HydrophobicContact CD1-CB 3.87Å; L324-L330 HydrophobicContact CD2-CB 4.06Å
325	K	90.3	Very high	82.4	Confident	132 Å²	132	53.7 Å²	53.7	57%	0.574	29%	0.291	S	S	*	.			trans	-118.1	165.6	169.9	-62.3	178.3	-178.7	178.3	0	109.2	Q296 G327 D328	Q296-K325 WeakPolarHBondContact CB-O 3.38Å; K325-G327 PolarHBondContact O-N 3.28Å; K325-D328 WeakPolarHBondContact CB-OD2 3.43Å; K325-D328 PolarHBondContact N-OD2 2.83Å; K325-D328 WeakPolarHBondContact O-CB 3.38Å; K325-D328 PolarHBondContact O-N 3.26Å
326	P	90	Very high	85.2	Confident	58 Å²	58	52.8 Å²	52.8	38%	0.377	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.1	177.8	-29.3	40.4	0	0	0	112.1	Q297 G299	Q297-P326 WeakPolarHBondContact O-CB 3.08Å; G299-P326 WeakPolarHBondContact O-CD 3.31Å; G299-P326 WeakPolarHBondContact O-CG 3.37Å
327	G	89.5	Confident	87.7	Confident	6 Å²	6	46.5 Å²	46.5	6%	0.062	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-13.1	-175.7	0	0	0	0	0	115.6	R179 Q296 K325	R179-G327 VanDerWaalsContact CD-O 3.29Å; R179-G327 WeakPolarHBondContact CD-O 3.48Å; R179-G327 WeakPolarHBondContact CG-O 3.28Å; Q296-G327 PolarHBondContact O-N 3Å; K325-G327 PolarHBondContact O-N 3.28Å
328	D	92.6	Very high	89.6	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.032	22%	0.216	C	C	.	.			trans	-72.8	144.8	174.5	-65.6	-25.1	0	0	0	111.3	H176 V177 K178 R179 Q296 L324 K325	H176-D328 IonicContact NE2-OD2 3.13Å; V177-D328 WeakPolarHBondContact O-CA 3.27Å; K178-D328 VanDerWaalsContact CA-OD1 3.26Å; K178-D328 WeakPolarHBondContact CA-OD1 3.47Å; R179-D328 PolarHBondContact N-OD1 3.12Å; Q296-D328 PolarHBondContact N-O 3.47Å; Q296-D328 VanDerWaalsContact N-O 3.14Å; L324-D328 HydrophobicContact CB-CB 4.25Å; L324-D328 HydrophobicContact CD2-CB 3.95Å; K325-D328 WeakPolarHBondContact CB-OD2 3.43Å; K325-D328 PolarHBondContact N-OD2 2.83Å; K325-D328 WeakPolarHBondContact O-CB 3.38Å; K325-D328 PolarHBondContact O-N 3.26Å
329	L	94	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.7	172.5	173.2	76.2	0	0	0	110.4	I156 L157 V177 F293 I294 L295	I156-L329 HydrophobicContact CG2-CD1 4.25Å; I156-L329 HydrophobicContact CG2-CD2 3.98Å; I156-L329 WeakPolarHBondContact O-CD2 3.46Å; L157-L329 HydrophobicContact CD2-CD2 4.03Å; V177-L329 HydrophobicContact CB-CB 4.19Å; V177-L329 HydrophobicContact CG2-CB 4.5Å; V177-L329 HydrophobicContact CG2-CD2 4.18Å; V177-L329 PolarHBondContact N-O 2.89Å; V177-L329 PolarHBondContact O-N 3.2Å; F293-L329 HydrophobicContact CB-CD1 3.94Å; F293-L329 HydrophobicContact CD1-CD1 3.92Å; F293-L329 HydrophobicContact CD1-CD2 4.07Å; F293-L329 HydrophobicContact CD1-CG 4.42Å; F293-L329 HydrophobicContact CE1-CD2 4.36Å; F293-L329 HydrophobicContact CG-CD1 4.33Å; I294-L329 CarbonylContact O-C 3.6Å; I294-L329 WeakPolarHBondContact O-CA 3.2Å; L295-L329 HydrophobicContact CD2-CB 4.29Å; L295-L329 HydrophobicContact CD2-CD1 3.66Å; L295-L329 HydrophobicContact CG-CD1 3.84Å
330	L	95.9	Very high	92.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.1	163.5	173.5	61.1	0	0	0	111	L175 H176 I294 F303 I305 L324 I332	L175-L330 CarbonylContact O-C 3.54Å; L175-L330 WeakPolarHBondContact O-CA 3.36Å; H176-L330 HydrophobicContact CB-CD1 4.27Å; I294-L330 HydrophobicContact CB-CB 4.29Å; I294-L330 HydrophobicContact CD1-CD2 4.45Å; I294-L330 PolarHBondContact N-O 3.16Å; I294-L330 PolarHBondContact O-N 2.91Å; F303-L330 HydrophobicContact CB-CD2 3.77Å; F303-L330 HydrophobicContact CD1-CD2 4.02Å; F303-L330 HydrophobicContact CG-CD2 3.89Å; I305-L330 HydrophobicContact CD1-CD1 3.58Å; I305-L330 HydrophobicContact CD1-CD2 3.84Å; I305-L330 HydrophobicContact CD1-CG 4.23Å; I305-L330 HydrophobicContact CG1-CD2 4.34Å; L324-L330 HydrophobicContact CD1-CB 3.87Å; L324-L330 HydrophobicContact CD2-CB 4.06Å; L330-I332 HydrophobicContact CD1-CG1 4.33Å; L330-I332 HydrophobicContact CD2-CD1 3.97Å; L330-I332 HydrophobicContact CD2-CG1 4.15Å; L330-I332 HydrophobicContact CG-CD1 4.25Å; L330-I332 HydrophobicContact CG-CG1 3.87Å
331	Y	97.5	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.2	167	170.6	-108.4	0	0	0	110.7	F165 N169 Q171 P174 L175 D291 L292 F293 P333 F357	F165-Y331 AromaticContact CE2-CD1 3.73Å; F165-Y331 HydrophobicContact CE2-CD1 3.73Å; F165-Y331 HydrophobicContact CE2-CD2 4.18Å; F165-Y331 AromaticContact CE2-CE1 3.93Å; F165-Y331 HydrophobicContact CE2-CE1 3.93Å; F165-Y331 HydrophobicContact CE2-CE2 4.39Å; F165-Y331 AromaticContact CE2-CG 3.85Å; F165-Y331 HydrophobicContact CE2-CG 3.85Å; F165-Y331 HydrophobicContact CZ-CD1 4.4Å; F165-Y331 HydrophobicContact CZ-CD2 4.26Å; F165-Y331 HydrophobicContact CZ-CE1 4.26Å; F165-Y331 HydrophobicContact CZ-CE2 4.15Å; F165-Y331 HydrophobicContact CZ-CG 4.38Å; N169-Y331 HydrophobicContact CB-CD1 4.36Å; N169-Y331 HydrophobicContact CB-CE1 4.43Å; N169-Y331 WeakPolarHBondContact O-CE1 3.45Å; Q171-Y331 PolarHBondContact N-OH 3.38Å; P174-Y331 CarbonylContact C-O 3.59Å; P174-Y331 VanDerWaalsContact CA-O 3.24Å; P174-Y331 WeakPolarHBondContact CA-O 3.22Å; L175-Y331 HydrophobicContact CB-CD1 4.35Å; L175-Y331 PolarHBondContact N-O 3.26Å; L175-Y331 PolarHBondContact O-N 3.25Å; D291-Y331 HydrophobicContact CB-CE2 4.13Å; D291-Y331 PolarHBondContact OD1-OH 2.93Å; L292-Y331 CarbonylContact O-C 3.55Å; L292-Y331 WeakPolarHBondContact O-CA 3.49Å; L292-Y331 WeakPolarHBondContact O-CD2 3.42Å; F293-Y331 AromaticContact CD1-CD2 3.66Å; F293-Y331 HydrophobicContact CD1-CD2 3.66Å; F293-Y331 HydrophobicContact CD1-CG 4.12Å; F293-Y331 AromaticContact CE1-CD2 3.47Å; F293-Y331 HydrophobicContact CE1-CD2 3.47Å; F293-Y331 VanDerWaalsContact CE1-CD2 3.47Å; F293-Y331 HydrophobicContact CE1-CE2 4.36Å; F293-Y331 AromaticContact CE1-CG 3.89Å; F293-Y331 HydrophobicContact CE1-CG 3.89Å; F293-Y331 HydrophobicContact CG-CD2 4.34Å; F293-Y331 HydrophobicContact CZ-CD2 4.02Å; Y331-P333 HydrophobicContact CE1-CB 3.96Å; Y331-P333 HydrophobicContact CE1-CG 4.18Å; Y331-P333 WeakPolarHBondContact OH-CB 3.44Å; Y331-F357 HydrophobicContact CE2-CE1 4.28Å; Y331-F357 HydrophobicContact CE2-CZ 4.08Å
332	I	96.6	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.1	175.4	-49.6	-176	0	0	0	108.3	L288 L292 I294 I305 L330 F336 H338	L288-I332 HydrophobicContact CD1-CB 4.07Å; L288-I332 HydrophobicContact CD1-CG2 3.76Å; L292-I332 PolarHBondContact N-O 2.9Å; L292-I332 PolarHBondContact O-N 3.31Å; I294-I332 HydrophobicContact CD1-CD1 3.83Å; I305-I332 HydrophobicContact CD1-CD1 4.48Å; I305-I332 HydrophobicContact CD1-CG1 4.45Å; I305-I332 HydrophobicContact CG1-CD1 4.32Å; I305-I332 HydrophobicContact CG2-CG2 4.23Å; L330-I332 HydrophobicContact CD1-CG1 4.33Å; L330-I332 HydrophobicContact CD2-CD1 3.97Å; L330-I332 HydrophobicContact CD2-CG1 4.15Å; L330-I332 HydrophobicContact CG-CD1 4.25Å; L330-I332 HydrophobicContact CG-CG1 3.87Å; I332-F336 HydrophobicContact CG2-CB 3.66Å; I332-F336 HydrophobicContact CG2-CG 4.45Å; I332-H338 HydrophobicContact CD1-CB 3.9Å
333	P	95.5	Very high	90.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.			trans	-74.5	161.2	177.8	26.6	-31.5	0	0	0	113	D291 Y331 F336	D291-P333 VanDerWaalsContact OD1-CA 3.27Å; D291-P333 WeakPolarHBondContact OD1-CA 3.48Å; Y331-P333 HydrophobicContact CE1-CB 3.96Å; Y331-P333 HydrophobicContact CE1-CG 4.18Å; Y331-P333 WeakPolarHBondContact OH-CB 3.44Å; P333-F336 HydrophobicContact CG-CD2 3.73Å; P333-F336 HydrophobicContact CG-CE2 3.63Å; P333-F336 HydrophobicContact CG-CZ 4.4Å; P333-F336 WeakPolarHBondContact O-CD2 3.48Å; P333-F336 PolarHBondContact O-N 2.86Å
334	K	93.3	Very high	88.9	Confident	79 Å²	79	26.1 Å²	26.1	34%	0.343	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	138.4	174.2	-178.2	171.8	179.8	151.2	0	113.1	L288 D289 H290 D291 N362	L288-K334 WeakPolarHBondContact O-CG 3.47Å; D289-K334 VanDerWaalsContact O-CD 3.24Å; D289-K334 WeakPolarHBondContact O-CD 3.03Å; D289-K334 WeakPolarHBondContact O-CE 3.36Å; D289-K334 PolarHBondContact O-NZ 3.05Å; H290-K334 VanDerWaalsContact O-CA 3.27Å; H290-K334 WeakPolarHBondContact O-CA 3.42Å; H290-K334 PolarHBondContact O-N 3.13Å; D291-K334 PolarHBondContact OD1-N 3.17Å; K334-N362 PolarHBondContact NZ-ND2 2.86Å
335	G	91.8	Very high	87.4	Confident	16 Å²	16	30.1 Å²	30.1	17%	0.165	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	1.4	176.6	0	0	0	0	0	115.5	Q287 L288	Q287-G335 PolarHBondContact NE2-O 3.26Å; L288-G335 PolarHBondContact O-N 2.76Å
336	F	93.3	Very high	86.2	Confident	22 Å²	22	32.7 Å²	32.7	10%	0.096	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.6	170.2	-73.6	-108.3	0	0	0	110.4	P174 Q287 L288 I305 S306 I332 P333	P174-F336 HydrophobicContact CG-CD1 3.85Å; P174-F336 HydrophobicContact CG-CE1 3.72Å; P174-F336 HydrophobicContact CG-CG 4.45Å; P174-F336 HydrophobicContact CG-CZ 4.25Å; Q287-F336 WeakPolarHBondContact CA-O 3.27Å; L288-F336 WeakPolarHBondContact CG-O 3.25Å; L288-F336 PolarHBondContact N-O 2.65Å; I305-F336 HydrophobicContact CG2-CB 4.31Å; I305-F336 HydrophobicContact CG2-CD1 3.98Å; S306-F336 WeakPolarHBondContact O-CA 3.46Å; I332-F336 HydrophobicContact CG2-CB 3.66Å; I332-F336 HydrophobicContact CG2-CG 4.45Å; P333-F336 HydrophobicContact CG-CD2 3.73Å; P333-F336 HydrophobicContact CG-CE2 3.63Å; P333-F336 HydrophobicContact CG-CZ 4.4Å; P333-F336 WeakPolarHBondContact O-CD2 3.48Å; P333-F336 PolarHBondContact O-N 2.86Å
337	A	92.7	Very high	85.3	Confident	12 Å²	12	32.9 Å²	32.9	10%	0.099	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	150.2	170.7	0	0	0	0	0	109	F285 Q287 S306	F285-A337 WeakPolarHBondContact O-CB 3.34Å; Q287-A337 HydrophobicContact CG-CB 4.23Å; S306-A337 PolarHBondContact N-O 2.88Å; S306-A337 PolarHBondContact O-N 2.88Å; S306-A337 VanDerWaalsContact O-O 3.14Å; S306-A337 PolarHBondContact OG-O 3.31Å
338	H	92.5	Very high	84.9	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.8	179.3	70.3	-83.1	0	0	0	112.5	F285 Q304 I332	F285-H338 WeakPolarHBondContact CB-O 3.42Å; F285-H338 AromaticContact CD2-CD2 3.72Å; F285-H338 AromaticContact CD2-CE1 3.83Å; F285-H338 AromaticContact CD2-NE2 3.34Å; F285-H338 VanDerWaalsContact CD2-NE2 3.34Å; F285-H338 WeakPolarHBondContact CD2-NE2 3.48Å; F285-H338 AromaticContact CE2-NE2 3.76Å; F285-H338 AromaticContact CG-CE1 3.67Å; F285-H338 AromaticContact CG-NE2 3.68Å; F285-H338 PolarHBondContact N-O 3.31Å; Q304-H338 CarbonylContact O-C 3.48Å; Q304-H338 VanDerWaalsContact O-CA 3.24Å; Q304-H338 WeakPolarHBondContact O-CA 3.4Å; I332-H338 HydrophobicContact CD1-CB 3.9Å
339	T	91.7	Very high	84.8	Confident	22 Å²	22	43 Å²	43	14%	0.135	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.4	175.2	-60.5	0	0	0	0	109.1	E282 L283 S284 F303 Q304	E282-T339 HydrophobicContact CG-CG2 3.48Å; E282-T339 VanDerWaalsContact CG-CG2 3.48Å; E282-T339 WeakPolarHBondContact OE1-CG2 3.45Å; L283-T339 CarbonylContact O-C 3.5Å; L283-T339 WeakPolarHBondContact O-CA 3.4Å; S284-T339 VanDerWaalsContact OG-CG2 3.23Å; S284-T339 WeakPolarHBondContact OG-CG2 3.5Å; S284-T339 PolarHBondContact OG-OG1 3.13Å; F303-T339 CarbonylContact C-O 3.52Å; F303-T339 WeakPolarHBondContact CA-O 3.26Å; Q304-T339 PolarHBondContact N-O 2.81Å; Q304-T339 PolarHBondContact O-N 2.96Å
340	I	90.6	Very high	84.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.4	177.4	-43.4	-178.1	0	0	0	107.8	E282 L283 F285 Q301 K302 F303	E282-I340 CarbonylContact C-O 3.58Å; E282-I340 WeakPolarHBondContact CA-O 3.4Å; L283-I340 HydrophobicContact CB-CB 4.39Å; L283-I340 PolarHBondContact N-O 3.43Å; L283-I340 PolarHBondContact O-N 3.03Å; F285-I340 HydrophobicContact CD2-CD1 4.48Å; F285-I340 HydrophobicContact CD2-CG1 4.41Å; F285-I340 HydrophobicContact CE2-CD1 3.63Å; F285-I340 HydrophobicContact CE2-CG1 3.91Å; F285-I340 HydrophobicContact CZ-CD1 4.29Å; Q301-I340 HydrophobicContact CB-CG2 4.14Å; K302-I340 CarbonylContact O-C 3.58Å; K302-I340 WeakPolarHBondContact O-CA 3.35Å; F303-I340 HydrophobicContact CD1-CD1 4.31Å; F303-I340 HydrophobicContact CD1-CG1 3.83Å; F303-I340 HydrophobicContact CD1-CG2 4.41Å; F303-I340 HydrophobicContact CE1-CB 4.29Å; F303-I340 HydrophobicContact CE1-CD1 3.51Å; F303-I340 HydrophobicContact CE1-CG1 3.51Å; F303-I340 HydrophobicContact CE1-CG2 3.95Å; F303-I340 HydrophobicContact CE2-CG2 4.19Å; F303-I340 HydrophobicContact CZ-CD1 4.07Å; F303-I340 HydrophobicContact CZ-CG1 4.24Å; F303-I340 HydrophobicContact CZ-CG2 3.83Å
341	S	87.2	Confident	84.5	Confident	32 Å²	32	43 Å²	43	22%	0.224	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.6	170.6	50	0	0	0	0	111.1	K302	K302-S341 PolarHBondContact N-O 2.91Å; K302-S341 PolarHBondContact O-N 3.21Å
342	H	77.9	Confident	84.4	Confident	11 Å²	11	43 Å²	43	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.4	173	-178	40.4	0	0	0	110.9	T281 S300 Q301 T350	T281-H342 PolarHBondContact O-N 2.94Å; S300-H342 PolarHBondContact O-ND1 3.34Å; S300-H342 VanDerWaalsContact O-ND1 3.16Å; Q301-H342 HydrophobicContact CG-CB 4.46Å; H342-T350 WeakPolarHBondContact CE1-CG2 3.48Å; H342-T350 VanDerWaalsContact ND1-CG2 3.28Å; H342-T350 WeakPolarHBondContact ND1-CG2 3.28Å
343	D	65.2	Low	84.3	Confident	60 Å²	60	43 Å²	43	32%	0.321	22%	0.221	S	C	.	.			trans	-109	110.6	-178.2	-167.3	-36.3	0	0	0	109	K302 S345	K302-D343 VanDerWaalsContact CE-OD2 3.27Å; K302-D343 WeakPolarHBondContact CE-OD2 3.35Å; K302-D343 IonicContact NZ-OD2 2.66Å; K302-D343 PolarHBondContact NZ-OD2 3.13Å; D343-S345 PolarHBondContact O-N 3.45Å; D343-S345 PolarHBondContact OD1-OG 2.91Å
344	N	57.2	Low	84.4	Confident	86 Å²	86	43.3 Å²	43.3	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	10.8	-161.9	-169.7	10.8	0	0	0	114.9	S278 P280	S278-N344 VanDerWaalsContact O-CG 3.27Å; S278-N344 PolarHBondContact O-OD1 2.67Å; P280-N344 HydrophobicContact CG-CB 4.07Å
345	S	59.8	Low	84.5	Confident	84 Å²	84	39.5 Å²	39.5	59%	0.587	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-13.6	-161.2	48.5	0	0	0	0	116.3	D343	D343-S345 PolarHBondContact O-N 3.45Å; D343-S345 PolarHBondContact OD1-OG 2.91Å
346	K	66.2	Low	84.8	Confident	186 Å²	186	39.5 Å²	39.5	81%	0.809	20%	0.204	S	C	*	.	S	Bend	trans	-144.9	-17.9	-170.3	-62.7	-163.6	179.6	-161.7	0	118.6
347	N	70.2	Confident	84.9	Confident	62 Å²	62	38.5 Å²	38.5	33%	0.332	20%	0.2	S	C	.	.			trans	-123	143.9	-174.4	-57.7	-58.6	0	0	0	110.6	S300 H349	S300-N347 PolarHBondContact N-ND2 2.92Å; N347-H349 WeakPolarHBondContact CB-O 3.42Å; N347-H349 PolarHBondContact O-N 3.19Å
348	K	80.9	Confident	85	Confident	185 Å²	185	38.3 Å²	38.3	80%	0.804	20%	0.197	S	C	*	.	S	Bend	trans	-67.9	-26.4	175	-69.7	-175.2	175.9	-177.5	0	112.7	S278	S278-K348 WeakPolarHBondContact CB-O 3.37Å; S278-K348 PolarHBondContact N-O 3.44Å; S278-K348 VanDerWaalsContact N-O 3.11Å
349	H	89.9	Confident	84.9	Confident	40 Å²	40	42.8 Å²	42.8	19%	0.185	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	173.1	-177.2	62.4	-73.8	0	0	0	110.3	Y190 Y236 L275 L276 E298 N347	Y190-H349 AromaticContact CD2-CD2 3.83Å; Y190-H349 AromaticContact CD2-NE2 3.83Å; Y236-H349 WeakPolarHBondContact OH-CB 3.48Å; L275-H349 HydrophobicContact CD1-CB 4.24Å; L276-H349 WeakPolarHBondContact O-CA 3.48Å; L276-H349 VanDerWaalsContact O-CB 3.31Å; L276-H349 WeakPolarHBondContact O-CB 3.4Å; E298-H349 IonicContact OE2-CD2 2.68Å; E298-H349 IonicContact OE2-CE1 2.69Å; E298-H349 PolarHBondContact OE2-CE1 3.45Å; E298-H349 IonicContact OE2-NE2 2.79Å; E298-H349 PolarHBondContact OE2-NE2 3.09Å; N347-H349 WeakPolarHBondContact CB-O 3.42Å; N347-H349 PolarHBondContact O-N 3.19Å
350	T	92.2	Very high	84.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.2	167	60	0	0	0	0	110.6	L275 L276 E298 Q301 H342	L275-T350 CarbonylContact C-O 3.6Å; L275-T350 WeakPolarHBondContact CA-O 3.35Å; L276-T350 PolarHBondContact N-O 2.9Å; L276-T350 PolarHBondContact O-N 3Å; E298-T350 WeakPolarHBondContact O-CA 3.44Å; Q301-T350 HydrophobicContact CG-CG2 3.72Å; Q301-T350 PolarHBondContact NE2-OG1 2.79Å; Q301-T350 PolarHBondContact OE1-OG1 2.97Å; H342-T350 WeakPolarHBondContact CE1-CG2 3.48Å; H342-T350 VanDerWaalsContact ND1-CG2 3.28Å; H342-T350 WeakPolarHBondContact ND1-CG2 3.28Å
351	L	93.4	Very high	84.7	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.6	176.5	-177.8	62.4	0	0	0	109	L188 V193 A273 Y274 L275 Q296 Q297 E298	L188-L351 HydrophobicContact CD2-CD1 4.16Å; L188-L351 HydrophobicContact CD2-CD2 4.41Å; L188-L351 HydrophobicContact CG-CD2 4.2Å; V193-L351 HydrophobicContact CG2-CD1 4.19Å; V193-L351 HydrophobicContact CG2-CD2 4.19Å; A273-L351 HydrophobicContact CB-CD1 4.37Å; Y274-L351 WeakPolarHBondContact O-CA 3.5Å; L275-L351 HydrophobicContact CB-CD1 4.16Å; Q296-L351 PolarHBondContact NE2-O 2.98Å; Q297-L351 WeakPolarHBondContact CA-O 3.23Å; Q297-L351 HydrophobicContact CB-CB 4.44Å; Q297-L351 HydrophobicContact CB-CD2 4.22Å; Q297-L351 HydrophobicContact CB-CG 4.16Å; Q297-L351 PolarHBondContact N-O 2.98Å; E298-L351 HydrophobicContact CB-CB 3.96Å; E298-L351 HydrophobicContact CG-CB 4.39Å; E298-L351 PolarHBondContact N-O 3.17Å; E298-L351 PolarHBondContact O-N 3.41Å
352	H	93.7	Very high	84.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.2	167.5	68.3	-100.1	0	0	0	111.1	A273 Y274 I294 L295 Q301	A273-H352 WeakPolarHBondContact CA-O 3.31Å; Y274-H352 VanDerWaalsContact CB-CE1 3.45Å; Y274-H352 WeakPolarHBondContact CB-CE1 3.46Å; Y274-H352 AromaticContact CD2-CD2 3.87Å; Y274-H352 AromaticContact CD2-NE2 3.31Å; Y274-H352 VanDerWaalsContact CD2-NE2 3.31Å; Y274-H352 WeakPolarHBondContact CD2-NE2 3.25Å; Y274-H352 AromaticContact CG-CE1 3.85Å; Y274-H352 AromaticContact CG-NE2 3.53Å; Y274-H352 PolarHBondContact N-O 3.49Å; Y274-H352 PolarHBondContact O-N 3.12Å; I294-H352 HydrophobicContact CG2-CB 4.26Å; L295-H352 WeakPolarHBondContact O-CA 3.4Å; Q301-H352 PolarHBondContact OE1-ND1 2.81Å
353	L	95.4	Very high	85.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	-177.4	-176.1	156.7	0	0	0	108.8	W187 L188 L254 V271 I294 L295 Q297 I355	W187-L353 HydrophobicContact CB-CD1 3.87Å; L188-L353 HydrophobicContact CB-CD1 3.83Å; L188-L353 HydrophobicContact CD2-CD1 4.23Å; L254-L353 HydrophobicContact CD2-CD1 4.06Å; V271-L353 HydrophobicContact CG1-CD1 3.75Å; V271-L353 HydrophobicContact CG1-CD2 3.7Å; V271-L353 HydrophobicContact CG1-CG 3.59Å; I294-L353 CarbonylContact C-O 3.56Å; I294-L353 WeakPolarHBondContact CA-O 3.44Å; L295-L353 HydrophobicContact CD1-CD2 4.26Å; L295-L353 PolarHBondContact N-O 3.34Å; L295-L353 PolarHBondContact O-N 3.45Å; Q297-L353 HydrophobicContact CG-CB 4.34Å; L353-I355 HydrophobicContact CD2-CD1 3.91Å; L353-I355 HydrophobicContact CD2-CG1 3.31Å
354	C	96.6	Very high	87	Confident	7 Å²	7	59.5 Å²	59.5	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.8	178.2	-72.9	0	0	0	0	109.1	V271 T272 L292 F293	V271-C354 WeakPolarHBondContact CA-O 3.29Å; T272-C354 PolarHBondContact N-O 3.06Å; T272-C354 PolarHBondContact O-N 2.81Å; L292-C354 HydrophobicContact CD1-CB 3.66Å; F293-C354 CarbonylContact O-C 3.57Å; F293-C354 WeakPolarHBondContact O-CA 3.36Å
355	I	97	Very high	88.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.1	171.9	-49.2	-178.4	0	0	0	108	W187 F269 T270 F293 L295 L353	W187-I355 HydrophobicContact CE3-CD1 4.11Å; W187-I355 HydrophobicContact CH2-CD1 3.9Å; W187-I355 HydrophobicContact CZ2-CD1 4.49Å; W187-I355 HydrophobicContact CZ3-CD1 3.69Å; F269-I355 HydrophobicContact CD1-CG2 3.59Å; F269-I355 HydrophobicContact CE1-CG2 4.31Å; T270-I355 WeakPolarHBondContact O-CA 3.39Å; F293-I355 HydrophobicContact CB-CB 4.26Å; F293-I355 PolarHBondContact N-O 3.03Å; F293-I355 PolarHBondContact O-N 3.32Å; L295-I355 HydrophobicContact CD1-CD1 3.73Å; L295-I355 HydrophobicContact CD1-CG1 4.38Å; L353-I355 HydrophobicContact CD2-CD1 3.91Å; L353-I355 HydrophobicContact CD2-CG1 3.31Å
356	S	96.9	Very high	90.5	Very high	15 Å²	15	55.5 Å²	55.5	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138	-178.8	-67.8	0	0	0	0	110.9	F269 T270 H290 D291	F269-S356 WeakPolarHBondContact CA-O 3.21Å; T270-S356 PolarHBondContact N-O 2.93Å; T270-S356 PolarHBondContact O-N 3.08Å; H290-S356 VanDerWaalsContact CD2-CB 3.42Å; H290-S356 WeakPolarHBondContact CD2-CB 3.33Å; H290-S356 PolarHBondContact CD2-OG 2.91Å; H290-S356 PolarHBondContact NE2-OG 3.21Å; D291-S356 WeakPolarHBondContact O-CA 3.39Å
357	F	96.4	Very high	91.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	171.3	-177.5	67.9	-70.1	0	0	0	112.2	Y170 F265 F269 H290 D291 F293 Y331 Q359	Y170-F357 AromaticContact CE2-CE2 3.85Å; Y170-F357 HydrophobicContact CE2-CE2 3.85Å; Y170-F357 HydrophobicContact CE2-CZ 4.27Å; F265-F357 HydrophobicContact CD1-CD2 4.47Å; F265-F357 HydrophobicContact CD1-CE2 4.32Å; F265-F357 HydrophobicContact CE1-CD2 4.36Å; F265-F357 AromaticContact CE1-CE2 3.79Å; F265-F357 HydrophobicContact CE1-CE2 3.79Å; F265-F357 AromaticContact CZ-CE2 3.94Å; F265-F357 HydrophobicContact CZ-CE2 3.94Å; F269-F357 HydrophobicContact CD1-CB 3.83Å; F269-F357 HydrophobicContact CD1-CG 4.26Å; F269-F357 HydrophobicContact CD2-CB 3.95Å; F269-F357 HydrophobicContact CE1-CB 3.59Å; F269-F357 AromaticContact CE1-CD1 3.95Å; F269-F357 HydrophobicContact CE1-CD1 3.95Å; F269-F357 AromaticContact CE1-CD2 3.91Å; F269-F357 HydrophobicContact CE1-CD2 3.91Å; F269-F357 AromaticContact CE1-CG 3.58Å; F269-F357 HydrophobicContact CE1-CG 3.58Å; F269-F357 HydrophobicContact CE2-CB 3.71Å; F269-F357 HydrophobicContact CE2-CD2 4.09Å; F269-F357 HydrophobicContact CE2-CG 4.17Å; F269-F357 HydrophobicContact CG-CB 3.97Å; F269-F357 HydrophobicContact CZ-CB 3.51Å; F269-F357 HydrophobicContact CZ-CD1 4.29Å; F269-F357 AromaticContact CZ-CD2 3.4Å; F269-F357 HydrophobicContact CZ-CD2 3.4Å; F269-F357 HydrophobicContact CZ-CE2 4.11Å; F269-F357 AromaticContact CZ-CG 3.5Å; F269-F357 HydrophobicContact CZ-CG 3.5Å; H290-F357 WeakPolarHBondContact CB-O 3.48Å; D291-F357 HydrophobicContact CB-CD1 3.89Å; D291-F357 HydrophobicContact CB-CD2 4.27Å; D291-F357 HydrophobicContact CB-CE1 3.55Å; D291-F357 HydrophobicContact CB-CE2 4Å; D291-F357 HydrophobicContact CB-CG 4.23Å; D291-F357 HydrophobicContact CB-CZ 3.61Å; D291-F357 PolarHBondContact N-O 3.06Å; D291-F357 WeakPolarHBondContact O-CD1 3.39Å; D291-F357 PolarHBondContact O-N 3.01Å; F293-F357 HydrophobicContact CD2-CD1 4.14Å; F293-F357 AromaticContact CD2-CE1 3.41Å; F293-F357 HydrophobicContact CD2-CE1 3.41Å; F293-F357 VanDerWaalsContact CD2-CE1 3.41Å; F293-F357 AromaticContact CD2-CZ 3.99Å; F293-F357 HydrophobicContact CD2-CZ 3.99Å; F293-F357 HydrophobicContact CE2-CD1 4.29Å; F293-F357 AromaticContact CE2-CE1 3.34Å; F293-F357 HydrophobicContact CE2-CE1 3.34Å; F293-F357 HydrophobicContact CE2-CE2 4.38Å; F293-F357 AromaticContact CE2-CZ 3.39Å; F293-F357 HydrophobicContact CE2-CZ 3.39Å; F293-F357 HydrophobicContact CG-CE1 4.31Å; F293-F357 HydrophobicContact CZ-CE1 4.19Å; F293-F357 AromaticContact CZ-CZ 3.96Å; F293-F357 HydrophobicContact CZ-CZ 3.96Å; Y331-F357 HydrophobicContact CE2-CE1 4.28Å; Y331-F357 HydrophobicContact CE2-CZ 4.08Å; F357-Q359 PolarHBondContact O-N 3.2Å; F357-Q359 VanDerWaalsContact O-N 3.16Å
358	N	93.2	Very high	93.1	Very high	7 Å²	7	51 Å²	51	4%	0.037	25%	0.249	C	C	.	.			trans	59.3	15.2	-172.9	-63.9	-30.4	0	0	0	116.1	Y170 Q171 C267 D291 K360 Y361	Y170-N358 PolarHBondContact OH-ND2 3.27Å; Q171-N358 PolarHBondContact NE2-ND2 3.23Å; C267-N358 PolarHBondContact SG-OD1 3.17Å; D291-N358 HydrophobicContact CB-CB 4.45Å; D291-N358 WeakPolarHBondContact OD2-CB 3.31Å; D291-N358 PolarHBondContact OD2-ND2 3.1Å; N358-K360 PolarHBondContact O-N 3.31Å; N358-Y361 PolarHBondContact O-N 3.17Å
359	Q	91.3	Very high	93.7	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	131.2	171.3	-159	178.6	17.5	0	0	109.7	D289 H290 F357 Y361	D289-Q359 WeakPolarHBondContact OD2-CG 3.4Å; D289-Q359 PolarHBondContact OD2-NE2 2.98Å; H290-Q359 HydrophobicContact CB-CB 3.92Å; H290-Q359 HydrophobicContact CB-CG 4.26Å; F357-Q359 PolarHBondContact O-N 3.2Å; F357-Q359 VanDerWaalsContact O-N 3.16Å; Q359-Y361 PolarHBondContact O-N 3.47Å
360	K	88.4	Confident	93.9	Very high	128 Å²	128	42 Å²	42	56%	0.557	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	25	-175.5	-58.4	173.2	-171.5	164.3	0	115.2	N358 D365	N358-K360 PolarHBondContact O-N 3.31Å; K360-D365 VanDerWaalsContact C-CG 3.47Å; K360-D365 VanDerWaalsContact CA-OD2 3.27Å; K360-D365 WeakPolarHBondContact CA-OD2 3.22Å; K360-D365 VanDerWaalsContact O-CB 3.32Å; K360-D365 WeakPolarHBondContact O-CB 3.44Å; K360-D365 VanDerWaalsContact O-CG 3.24Å
361	Y	90.2	Very high	93.9	Very high	67 Å²	67	45.9 Å²	45.9	26%	0.263	23%	0.231	S	C	.	.			trans	-121.6	74.3	-178.5	-165.4	-115	0	0	0	110.8	G266 C267 N358 Q359 I505 M506 I509	G266-Y361 PolarHBondContact O-OH 3.25Å; C267-Y361 HydrophobicContact CB-CD1 3.51Å; C267-Y361 HydrophobicContact CB-CD2 4.43Å; C267-Y361 HydrophobicContact CB-CE1 3.81Å; C267-Y361 HydrophobicContact CB-CG 3.83Å; N358-Y361 PolarHBondContact O-N 3.17Å; Q359-Y361 PolarHBondContact O-N 3.47Å; Y361-I505 HydrophobicContact CD2-CG2 3.94Å; Y361-I505 HydrophobicContact CE2-CG2 4.04Å; Y361-M506 HydrophobicContact CE2-CE 4.15Å; Y361-I509 HydrophobicContact CD2-CD1 3.67Å; Y361-I509 HydrophobicContact CE2-CD1 3.68Å
362	N	90.4	Very high	93.9	Very high	67 Å²	67	49.6 Å²	49.6	36%	0.358	26%	0.255	S	S	.	.	S	Bend	trans	-151.2	175.9	176.3	62.3	81.1	0	0	0	111.8	K334 G364 D365 Y366	K334-N362 PolarHBondContact NZ-ND2 2.86Å; N362-G364 PolarHBondContact O-N 3.25Å; N362-G364 PolarHBondContact OD1-N 3.39Å; N362-D365 PolarHBondContact ND2-OD2 2.94Å; N362-D365 PolarHBondContact O-N 3.1Å; N362-D365 PolarHBondContact OD1-OD2 2.96Å; N362-Y366 PolarHBondContact O-N 3.38Å
363	W	93.9	Very high	93.7	Very high	177 Å²	177	50.4 Å²	50.4	67%	0.67	26%	0.259	S	S	*	.	H	α-helix	trans	-54.4	-32.9	-179.8	-70.9	108.3	0	0	0	114.5	Y366 L367	W363-Y366 HydrophobicContact CE3-CD1 4.16Å; W363-Y366 HydrophobicContact CZ3-CD1 4.34Å; W363-Y366 HydrophobicContact CZ3-CE1 4.47Å; W363-Y366 PolarHBondContact O-N 3.08Å; W363-L367 WeakPolarHBondContact O-CB 3.2Å; W363-L367 WeakPolarHBondContact O-CG 3.48Å; W363-L367 PolarHBondContact O-N 2.83Å
364	G	94.3	Very high	93.4	Very high	38 Å²	38	50.5 Å²	50.5	39%	0.392	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-48.1	177.3	0	0	0	0	0	112.2	N362 Y366 L367 S368	N362-G364 PolarHBondContact O-N 3.25Å; N362-G364 PolarHBondContact OD1-N 3.39Å; G364-Y366 VanDerWaalsContact C-N 3.31Å; G364-Y366 PolarHBondContact O-N 3.45Å; G364-L367 PolarHBondContact O-N 2.97Å; G364-S368 WeakPolarHBondContact O-CB 3.49Å; G364-S368 PolarHBondContact O-N 3.41Å; G364-S368 PolarHBondContact O-OG 3.41Å
365	D	93.2	Very high	93.1	Very high	52 Å²	52	53.7 Å²	53.7	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-39.5	175.3	-58.2	-70	0	0	0	111.4	K360 N362 S368 E369	K360-D365 VanDerWaalsContact C-CG 3.47Å; K360-D365 VanDerWaalsContact CA-OD2 3.27Å; K360-D365 WeakPolarHBondContact CA-OD2 3.22Å; K360-D365 VanDerWaalsContact O-CB 3.32Å; K360-D365 WeakPolarHBondContact O-CB 3.44Å; K360-D365 VanDerWaalsContact O-CG 3.24Å; N362-D365 PolarHBondContact ND2-OD2 2.94Å; N362-D365 PolarHBondContact O-N 3.1Å; N362-D365 PolarHBondContact OD1-OD2 2.96Å; D365-S368 WeakPolarHBondContact O-CB 3.32Å; D365-S368 PolarHBondContact O-N 3Å; D365-E369 PolarHBondContact O-N 2.9Å
366	Y	95.9	Very high	92.5	Very high	35 Å²	35	59 Å²	59	14%	0.137	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-47	176.1	173.5	-93.9	0	0	0	113.5	N362 W363 G364 S368 E369 L370 L498 A501 I502 I505	N362-Y366 PolarHBondContact O-N 3.38Å; W363-Y366 HydrophobicContact CE3-CD1 4.16Å; W363-Y366 HydrophobicContact CZ3-CD1 4.34Å; W363-Y366 HydrophobicContact CZ3-CE1 4.47Å; W363-Y366 PolarHBondContact O-N 3.08Å; G364-Y366 VanDerWaalsContact C-N 3.31Å; G364-Y366 PolarHBondContact O-N 3.45Å; Y366-S368 PolarHBondContact O-N 3.12Å; Y366-E369 PolarHBondContact O-N 2.89Å; Y366-L370 HydrophobicContact CE1-CB 4.47Å; Y366-L370 HydrophobicContact CE1-CD2 3.92Å; Y366-L370 WeakPolarHBondContact O-CB 3.33Å; Y366-L370 PolarHBondContact O-N 3.3Å; Y366-L498 HydrophobicContact CE1-CD2 4.49Å; Y366-L498 VanDerWaalsContact OH-CA 3.24Å; Y366-L498 WeakPolarHBondContact OH-CA 3.39Å; Y366-L498 VanDerWaalsContact OH-CB 3.27Å; Y366-L498 WeakPolarHBondContact OH-CB 3.39Å; Y366-L498 WeakPolarHBondContact OH-CD2 3.45Å; Y366-L498 PolarHBondContact OH-O 2.86Å; Y366-A501 HydrophobicContact CD2-CB 4.37Å; Y366-A501 HydrophobicContact CE2-CB 3.8Å; Y366-I502 HydrophobicContact CD2-CD1 4.29Å; Y366-I502 HydrophobicContact CE2-CB 4.14Å; Y366-I505 VanDerWaalsContact CA-CD1 3.47Å; Y366-I505 HydrophobicContact CD2-CD1 3.61Å; Y366-I505 HydrophobicContact CG-CD1 4.13Å
367	L	96.1	Very high	91.8	Very high	77 Å²	77	59.3 Å²	59.3	40%	0.403	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-28.2	176	-69.7	173.6	0	0	0	111.9	W363 G364 E369 L370 L371	W363-L367 WeakPolarHBondContact O-CB 3.2Å; W363-L367 WeakPolarHBondContact O-CG 3.48Å; W363-L367 PolarHBondContact O-N 2.83Å; G364-L367 PolarHBondContact O-N 2.97Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 2.89Å; L367-L370 HydrophobicContact CD2-CD2 3.98Å; L367-L370 PolarHBondContact O-N 2.91Å; L367-L371 WeakPolarHBondContact O-CB 3.43Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 2.73Å
368	S	95.1	Very high	91.4	Very high	76 Å²	76	59.3 Å²	59.3	53%	0.531	30%	0.298	S	S	.	.	H	α-helix	trans	-69.4	-27	175.5	-59	0	0	0	0	113.1	G364 D365 Y366 P372	G364-S368 WeakPolarHBondContact O-CB 3.49Å; G364-S368 PolarHBondContact O-N 3.41Å; G364-S368 PolarHBondContact O-OG 3.41Å; D365-S368 WeakPolarHBondContact O-CB 3.32Å; D365-S368 PolarHBondContact O-N 3Å; Y366-S368 PolarHBondContact O-N 3.12Å; S368-P372 WeakPolarHBondContact O-CD 3.38Å; S368-P372 WeakPolarHBondContact O-CG 3.23Å
369	E	94.3	Very high	91.1	Very high	30 Å²	30	61.5 Å²	61.5	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-83	-40.3	168.1	-71	-55.5	146.4	0	0	112.6	D365 Y366 L367 I373 A501 K504 I505 K508	D365-E369 PolarHBondContact O-N 2.9Å; Y366-E369 PolarHBondContact O-N 2.89Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 2.89Å; E369-I373 VanDerWaalsContact O-CD1 3.26Å; E369-I373 WeakPolarHBondContact O-CD1 3.48Å; E369-I373 VanDerWaalsContact O-CG1 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.27Å; E369-A501 HydrophobicContact CB-CB 4.32Å; E369-K504 HydrophobicContact CG-CB 4.27Å; E369-K504 WeakPolarHBondContact OE2-CD 3.29Å; E369-K504 IonicContact OE2-NZ 3.43Å; E369-K504 PolarHBondContact OE2-NZ 2.86Å; E369-I505 HydrophobicContact CG-CG1 4.05Å; E369-K508 WeakPolarHBondContact OE1-CE 3.36Å; E369-K508 IonicContact OE1-NZ 3.51Å; E369-K508 PolarHBondContact OE1-NZ 3.47Å
370	L	94	Very high	90.8	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-45.7	-177	179.7	64.3	0	0	0	113.2	Y366 L367 I373 M374 I432 P497 L498 A501	Y366-L370 HydrophobicContact CE1-CB 4.47Å; Y366-L370 HydrophobicContact CE1-CD2 3.92Å; Y366-L370 WeakPolarHBondContact O-CB 3.33Å; Y366-L370 PolarHBondContact O-N 3.3Å; L367-L370 HydrophobicContact CD2-CD2 3.98Å; L367-L370 PolarHBondContact O-N 2.91Å; L370-I373 WeakPolarHBondContact O-CB 3.3Å; L370-I373 PolarHBondContact O-N 3.05Å; L370-M374 HydrophobicContact CD1-CG 3.87Å; L370-M374 HydrophobicContact CG-CG 4.03Å; L370-M374 WeakPolarHBondContact O-CB 3.36Å; L370-M374 WeakPolarHBondContact O-CG 3.35Å; L370-M374 PolarHBondContact O-N 3.48Å; L370-I432 HydrophobicContact CD2-CD1 4.44Å; L370-P497 HydrophobicContact CD1-CB 3.74Å; L370-L498 HydrophobicContact CD1-CD2 3.9Å; L370-L498 HydrophobicContact CD2-CD2 3.64Å; L370-L498 HydrophobicContact CG-CD2 4.45Å; L370-A501 HydrophobicContact CB-CB 3.85Å; L370-A501 HydrophobicContact CD1-CB 4.02Å
371	L	93.1	Very high	90.5	Very high	81 Å²	81	59.2 Å²	59.2	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-44.6	-172.4	-71.9	170.7	0	0	0	113	L367 I373 M374 M375 L428	L367-L371 WeakPolarHBondContact O-CB 3.43Å; L367-L371 VanDerWaalsContact O-CG 3.29Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 2.73Å; L371-I373 VanDerWaalsContact C-N 3.34Å; L371-I373 PolarHBondContact O-N 3.08Å; L371-M374 PolarHBondContact O-N 2.86Å; L371-M375 WeakPolarHBondContact O-CB 3.46Å; L371-M375 VanDerWaalsContact O-CG 3.28Å; L371-M375 WeakPolarHBondContact O-CG 3.37Å; L371-M375 PolarHBondContact O-N 3.25Å; L371-L428 HydrophobicContact CD2-CD2 4.03Å
372	P	91.7	Very high	90.4	Very high	79 Å²	79	56.2 Å²	56.2	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-39.1	173.4	-25	35.5	0	0	0	113.4	S368 M375 K376	S368-P372 WeakPolarHBondContact O-CD 3.38Å; S368-P372 WeakPolarHBondContact O-CG 3.23Å; P372-M375 PolarHBondContact O-N 3Å; P372-K376 PolarHBondContact O-N 2.75Å
373	I	89.4	Confident	90.4	Very high	16 Å²	16	58 Å²	58	8%	0.082	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-51	175.5	-74.2	169.9	0	0	0	110.3	E369 L370 L371 K376 N377 F438 P497 L500 A501 K504	E369-I373 VanDerWaalsContact O-CD1 3.26Å; E369-I373 WeakPolarHBondContact O-CD1 3.48Å; E369-I373 VanDerWaalsContact O-CG1 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.27Å; L370-I373 WeakPolarHBondContact O-CB 3.3Å; L370-I373 PolarHBondContact O-N 3.05Å; L371-I373 VanDerWaalsContact C-N 3.34Å; L371-I373 PolarHBondContact O-N 3.08Å; I373-K376 PolarHBondContact O-N 2.98Å; I373-N377 PolarHBondContact O-N 3.13Å; I373-F438 HydrophobicContact CG2-CD2 4.49Å; I373-F438 HydrophobicContact CG2-CE2 3.47Å; I373-F438 VanDerWaalsContact CG2-CE2 3.47Å; I373-F438 HydrophobicContact CG2-CZ 4.12Å; I373-P497 HydrophobicContact CG2-CB 4.28Å; I373-L500 HydrophobicContact CD1-CB 4.25Å; I373-L500 HydrophobicContact CD1-CD2 4.13Å; I373-L500 HydrophobicContact CD1-CG 3.94Å; I373-L500 HydrophobicContact CG1-CD2 4.33Å; I373-L500 HydrophobicContact CG2-CD2 4.01Å; I373-A501 HydrophobicContact CD1-CB 4.19Å; I373-K504 HydrophobicContact CD1-CD 4.02Å
374	M	89.6	Confident	90.3	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-46.8	176.9	-78.2	-64.7	-52.3	0	0	112.2	L370 L371 N377 V378 L428 K431 I432 F438 P497	L370-M374 HydrophobicContact CD1-CG 3.87Å; L370-M374 HydrophobicContact CG-CG 4.03Å; L370-M374 WeakPolarHBondContact O-CB 3.36Å; L370-M374 WeakPolarHBondContact O-CG 3.35Å; L370-M374 PolarHBondContact O-N 3.48Å; L371-M374 PolarHBondContact O-N 2.86Å; M374-N377 PolarHBondContact O-N 3.11Å; M374-V378 PolarHBondContact O-N 3.45Å; M374-L428 HydrophobicContact CB-CD1 4.12Å; M374-L428 HydrophobicContact CB-CD2 4.4Å; M374-L428 HydrophobicContact CB-CG 4.45Å; M374-L428 HydrophobicContact CE-CD1 3.81Å; M374-L428 HydrophobicContact CE-CG 4.06Å; M374-K431 HydrophobicContact CE-CB 4.41Å; M374-I432 HydrophobicContact CE-CD1 4.01Å; M374-I432 HydrophobicContact CE-CG1 3.47Å; M374-I432 VanDerWaalsContact CE-CG1 3.47Å; M374-I432 HydrophobicContact CG-CD1 4.16Å; M374-I432 HydrophobicContact CG-CG1 4.41Å; M374-I432 HydrophobicContact SD-CD1 4.09Å; M374-I432 HydrophobicContact SD-CG1 3.68Å; M374-F438 HydrophobicContact SD-CE1 4.06Å; M374-F438 HydrophobicContact SD-CZ 3.66Å; M374-P497 HydrophobicContact CG-CB 4.17Å; M374-P497 HydrophobicContact SD-CB 3.45Å; M374-P497 WeakPolarHBondContact SD-CB 3.42Å; M374-P497 HydrophobicContact SD-CG 3.37Å; M374-P497 WeakPolarHBondContact SD-CG 3.36Å
375	M	90	Very high	90.2	Very high	74 Å²	74	52.1 Å²	52.1	37%	0.365	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-43.8	-179.1	-77.1	-57.4	-55.6	0	0	112.2	L371 P372 N377 V378 V379 F385 L428	L371-M375 WeakPolarHBondContact O-CB 3.46Å; L371-M375 VanDerWaalsContact O-CG 3.28Å; L371-M375 WeakPolarHBondContact O-CG 3.37Å; L371-M375 PolarHBondContact O-N 3.25Å; P372-M375 PolarHBondContact O-N 3Å; M375-N377 VanDerWaalsContact C-N 3.32Å; M375-N377 PolarHBondContact O-N 3.38Å; M375-V378 HydrophobicContact CE-CG2 4.49Å; M375-V378 PolarHBondContact O-N 3.33Å; M375-V378 HydrophobicContact SD-CG2 4.2Å; M375-V379 HydrophobicContact CE-CG2 4.19Å; M375-V379 VanDerWaalsContact O-CG2 3.31Å; M375-V379 WeakPolarHBondContact O-CG2 3.4Å; M375-V379 PolarHBondContact O-N 2.94Å; M375-F385 HydrophobicContact CE-CD1 4.12Å; M375-F385 HydrophobicContact SD-CD1 4.47Å; M375-F385 HydrophobicContact SD-CE1 4.4Å; M375-L428 HydrophobicContact SD-CD1 4.32Å; M375-L428 HydrophobicContact SD-CD2 4.22Å
376	K	85.5	Confident	90	Very high	112 Å²	112	55 Å²	55	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-55	-49.1	174.8	-175.9	178.7	179.2	-177.7	0	110.9	P372 I373 E380	P372-K376 PolarHBondContact O-N 2.75Å; I373-K376 PolarHBondContact O-N 2.98Å; K376-E380 VanDerWaalsContact CE-OE1 3.25Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 WeakPolarHBondContact CG-OE1 3.34Å; K376-E380 WeakPolarHBondContact O-CG 3.35Å; K376-E380 PolarHBondContact O-N 2.95Å
377	N	82.2	Confident	89.9	Confident	21 Å²	21	58.9 Å²	58.9	11%	0.112	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-43	-179.4	179.4	78	0	0	0	113.5	I373 M374 M375 E380 N381 F438	I373-N377 PolarHBondContact O-N 3.13Å; M374-N377 PolarHBondContact O-N 3.11Å; M375-N377 VanDerWaalsContact C-N 3.32Å; M375-N377 PolarHBondContact O-N 3.38Å; N377-E380 PolarHBondContact O-N 3.43Å; N377-N381 WeakPolarHBondContact O-CB 3.02Å; N377-N381 PolarHBondContact O-N 2.88Å; N377-N381 VanDerWaalsContact O-N 3.17Å; N377-N381 PolarHBondContact O-ND2 2.77Å; N377-N381 PolarHBondContact OD1-ND2 2.99Å; N377-N381 VanDerWaalsContact OD1-ND2 3.08Å; N377-F438 HydrophobicContact CB-CD1 3.53Å; N377-F438 HydrophobicContact CB-CD2 4.37Å; N377-F438 HydrophobicContact CB-CE1 3.36Å; N377-F438 HydrophobicContact CB-CE2 4.25Å; N377-F438 HydrophobicContact CB-CG 3.99Å; N377-F438 HydrophobicContact CB-CZ 3.7Å; N377-F438 WeakPolarHBondContact ND2-CD1 3.28Å; N377-F438 VanDerWaalsContact ND2-CE1 3.28Å; N377-F438 WeakPolarHBondContact ND2-CE1 3.49Å; N377-F438 VanDerWaalsContact OD1-CD1 3.25Å; N377-F438 WeakPolarHBondContact OD1-CD1 3.18Å
378	V	87.8	Confident	89.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-73.5	-32.6	-177.2	-61.5	0	0	0	0	113.2	M374 M375 E380 N381 D382 F385 L428 K431	M374-V378 PolarHBondContact O-N 3.45Å; M375-V378 HydrophobicContact CE-CG2 4.49Å; M375-V378 PolarHBondContact O-N 3.33Å; M375-V378 HydrophobicContact SD-CG2 4.2Å; V378-E380 VanDerWaalsContact C-N 3.26Å; V378-E380 PolarHBondContact O-N 3.49Å; V378-N381 PolarHBondContact O-N 2.59Å; V378-D382 HydrophobicContact CB-CB 4.44Å; V378-D382 WeakPolarHBondContact O-CA 3.35Å; V378-D382 WeakPolarHBondContact O-CB 3.37Å; V378-D382 PolarHBondContact O-N 2.59Å; V378-F385 HydrophobicContact CB-CD1 4.36Å; V378-F385 HydrophobicContact CB-CD2 3.99Å; V378-F385 HydrophobicContact CB-CE2 4.16Å; V378-F385 HydrophobicContact CB-CG 4.07Å; V378-F385 HydrophobicContact CB-CZ 4.41Å; V378-F385 HydrophobicContact CG2-CB 4.26Å; V378-F385 HydrophobicContact CG2-CD1 3.53Å; V378-F385 HydrophobicContact CG2-CD2 4.07Å; V378-F385 HydrophobicContact CG2-CE1 3.73Å; V378-F385 HydrophobicContact CG2-CE2 4.23Å; V378-F385 HydrophobicContact CG2-CG 3.7Å; V378-F385 HydrophobicContact CG2-CZ 4.06Å; V378-L428 HydrophobicContact CB-CD1 4.28Å; V378-L428 HydrophobicContact CG1-CD1 3.66Å; V378-L428 HydrophobicContact CG2-CD1 3.65Å; V378-K431 HydrophobicContact CG1-CD 3.47Å; V378-K431 VanDerWaalsContact CG1-CD 3.47Å
379	V	87.4	Confident	89.6	Confident	53 Å²	53	62.4 Å²	62.4	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-36.3	173.1	172.2	0	0	0	0	110.8	M375 F385	M375-V379 HydrophobicContact CE-CG2 4.19Å; M375-V379 VanDerWaalsContact O-CG2 3.31Å; M375-V379 WeakPolarHBondContact O-CG2 3.4Å; M375-V379 PolarHBondContact O-N 2.94Å; V379-F385 HydrophobicContact CG2-CB 4.18Å
380	E	83.4	Confident	89.4	Confident	91 Å²	91	63.2 Å²	63.2	43%	0.425	34%	0.339	S	S	.	.	H	α-helix	trans	-75.5	-24.5	178.4	-71.4	-172.9	-135	0	0	114.6	K376 N377 V378 K442	K376-E380 VanDerWaalsContact CE-OE1 3.25Å; K376-E380 WeakPolarHBondContact CE-OE1 3.44Å; K376-E380 WeakPolarHBondContact CG-OE1 3.34Å; K376-E380 WeakPolarHBondContact O-CG 3.35Å; K376-E380 PolarHBondContact O-N 2.95Å; N377-E380 PolarHBondContact O-N 3.43Å; V378-E380 VanDerWaalsContact C-N 3.26Å; V378-E380 PolarHBondContact O-N 3.49Å; E380-K442 WeakPolarHBondContact OE2-CE 3.17Å; E380-K442 IonicContact OE2-NZ 3.49Å; E380-K442 PolarHBondContact OE2-NZ 3.02Å
381	N	82.5	Confident	89.1	Confident	87 Å²	87	70.2 Å²	70.2	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-127.2	-9.7	-167.9	-62.7	-77.9	0	0	0	115.6	N377 V378	N377-N381 WeakPolarHBondContact O-CB 3.02Å; N377-N381 PolarHBondContact O-N 2.88Å; N377-N381 VanDerWaalsContact O-N 3.17Å; N377-N381 PolarHBondContact O-ND2 2.77Å; N377-N381 PolarHBondContact OD1-ND2 2.99Å; N377-N381 VanDerWaalsContact OD1-ND2 3.08Å; V378-N381 PolarHBondContact O-N 2.59Å
382	D	87.8	Confident	88.6	Confident	5 Å²	5	70 Å²	70	3%	0.027	38%	0.375	C	S	.	.			trans	-125.8	104.3	-179.4	-162.1	-33.8	0	0	0	109.3	V378 E384 F385 R427 K431	V378-D382 HydrophobicContact CB-CB 4.44Å; V378-D382 WeakPolarHBondContact O-CA 3.35Å; V378-D382 WeakPolarHBondContact O-CB 3.37Å; V378-D382 PolarHBondContact O-N 2.59Å; D382-E384 PolarHBondContact O-N 2.61Å; D382-F385 HydrophobicContact CB-CD2 3.83Å; D382-F385 HydrophobicContact CB-CE2 4.41Å; D382-F385 PolarHBondContact O-N 3.31Å; D382-R427 VanDerWaalsContact CG-NH2 3.34Å; D382-R427 IonicContact OD1-CZ 3.76Å; D382-R427 IonicContact OD1-NE 2.71Å; D382-R427 PolarHBondContact OD1-NE 2.88Å; D382-R427 IonicContact OD1-NH2 3.84Å; D382-R427 PolarHBondContact OD1-NH2 2.98Å; D382-R427 IonicContact OD2-CZ 2.88Å; D382-R427 VanDerWaalsContact OD2-CZ 3.29Å; D382-R427 IonicContact OD2-NE 2.65Å; D382-R427 PolarHBondContact OD2-NE 2.91Å; D382-R427 IonicContact OD2-NH2 3.29Å; D382-R427 PolarHBondContact OD2-NH2 3.03Å; D382-K431 WeakPolarHBondContact OD2-CE 3.49Å; D382-K431 IonicContact OD2-NZ 3.69Å; D382-K431 PolarHBondContact OD2-NZ 3.18Å
383	P	90.5	Very high	88.3	Confident	103 Å²	103	66.6 Å²	66.6	67%	0.669	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-62.5	-20.2	-167.8	25	-34.8	0	0	0	113.3	F385 N386 K387	P383-F385 VanDerWaalsContact C-N 3.29Å; P383-F385 PolarHBondContact O-N 3.45Å; P383-N386 PolarHBondContact O-N 3.09Å; P383-K387 PolarHBondContact O-N 3.21Å
384	E	91.8	Very high	88	Confident	62 Å²	62	74.7 Å²	74.7	29%	0.29	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-62.9	-35.1	174.5	-159.7	64.6	-145.6	0	0	112.3	D382 N386 K387 L424	D382-E384 PolarHBondContact O-N 2.61Å; E384-N386 VanDerWaalsContact C-N 3.31Å; E384-K387 WeakPolarHBondContact OE1-CD 3.37Å; E384-K387 IonicContact OE1-NZ 2.85Å; E384-K387 PolarHBondContact OE1-NZ 2.9Å; E384-K387 WeakPolarHBondContact OE2-CE 3.39Å; E384-K387 IonicContact OE2-NZ 2.68Å; E384-K387 PolarHBondContact OE2-NZ 2.71Å; E384-L424 HydrophobicContact CB-CD2 4.28Å; E384-L424 HydrophobicContact CG-CD2 3.79Å
385	F	92.2	Very high	87.6	Confident	30 Å²	30	80.8 Å²	80.8	13%	0.132	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-79	-14.2	177.7	-72.6	-97.8	0	0	0	113.2	M375 V378 V379 D382 P383 L424 R427 L428	M375-F385 HydrophobicContact CE-CD1 4.12Å; M375-F385 HydrophobicContact SD-CD1 4.47Å; M375-F385 HydrophobicContact SD-CE1 4.4Å; V378-F385 HydrophobicContact CB-CD1 4.36Å; V378-F385 HydrophobicContact CB-CD2 3.99Å; V378-F385 HydrophobicContact CB-CE2 4.16Å; V378-F385 HydrophobicContact CB-CG 4.07Å; V378-F385 HydrophobicContact CB-CZ 4.41Å; V378-F385 HydrophobicContact CG2-CB 4.26Å; V378-F385 HydrophobicContact CG2-CD1 3.53Å; V378-F385 HydrophobicContact CG2-CD2 4.07Å; V378-F385 HydrophobicContact CG2-CE1 3.73Å; V378-F385 HydrophobicContact CG2-CE2 4.23Å; V378-F385 HydrophobicContact CG2-CG 3.7Å; V378-F385 HydrophobicContact CG2-CZ 4.06Å; V379-F385 HydrophobicContact CG2-CB 4.18Å; D382-F385 HydrophobicContact CB-CD2 3.83Å; D382-F385 HydrophobicContact CB-CE2 4.41Å; D382-F385 PolarHBondContact O-N 3.31Å; P383-F385 VanDerWaalsContact C-N 3.29Å; P383-F385 PolarHBondContact O-N 3.45Å; F385-L424 HydrophobicContact CD1-CD2 4.16Å; F385-L424 HydrophobicContact CD2-CD2 4.02Å; F385-L424 HydrophobicContact CE1-CB 4.12Å; F385-L424 HydrophobicContact CE1-CD2 4.05Å; F385-L424 HydrophobicContact CE2-CD2 3.93Å; F385-L424 HydrophobicContact CG-CD2 4.16Å; F385-L424 HydrophobicContact CZ-CB 4.29Å; F385-L424 HydrophobicContact CZ-CD2 3.95Å; F385-L424 WeakPolarHBondContact CZ-O 3.33Å; F385-R427 HydrophobicContact CE2-CB 4.43Å; F385-R427 HydrophobicContact CE2-CG 4.14Å; F385-R427 HydrophobicContact CZ-CB 4.41Å; F385-L428 HydrophobicContact CE1-CD1 4.34Å; F385-L428 HydrophobicContact CZ-CB 4.32Å; F385-L428 HydrophobicContact CZ-CD1 4.32Å
386	N	90.3	Very high	87	Confident	114 Å²	114	80 Å²	80	61%	0.61	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-102.1	6.1	177.7	-162	34.9	0	0	0	112.8	P383 E384	P383-N386 PolarHBondContact O-N 3.09Å; E384-N386 VanDerWaalsContact C-N 3.31Å
387	K	92.7	Very high	86.9	Confident	116 Å²	116	76.6 Å²	76.6	50%	0.504	40%	0.397	S	S	.	.	S	Bend	trans	-69.8	145	171.6	-79.2	174.1	175.3	175.2	0	110.7	P383 E384	P383-K387 PolarHBondContact O-N 3.21Å; E384-K387 WeakPolarHBondContact OE1-CD 3.37Å; E384-K387 IonicContact OE1-NZ 2.85Å; E384-K387 PolarHBondContact OE1-NZ 2.9Å; E384-K387 WeakPolarHBondContact OE2-CE 3.39Å; E384-K387 IonicContact OE2-NZ 2.68Å; E384-K387 PolarHBondContact OE2-NZ 2.71Å
388	P	92.6	Very high	86.9	Confident	119 Å²	119	78.2 Å²	78.2	77%	0.773	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.6	152.2	169.8	29.4	-35.1	0	0	0	110.6
389	L	92.6	Very high	86.5	Confident	108 Å²	108	86 Å²	86	57%	0.565	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-61	150.7	171.8	-63.2	178.9	0	0	0	110.7	F417	L389-F417 HydrophobicContact CD2-CE2 4.21Å; L389-F417 HydrophobicContact CD2-CZ 4.44Å
390	P	90.6	Very high	85.8	Confident	46 Å²	46	93 Å²	93	30%	0.299	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-53.8	142.5	177.3	-26.4	34.9	0	0	0	112.6	S393 F413 F417	P390-S393 WeakPolarHBondContact O-CB 3.4Å; P390-S393 PolarHBondContact O-N 2.82Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.46Å; P390-F413 HydrophobicContact CB-CE2 3.93Å; P390-F413 HydrophobicContact CB-CZ 3.87Å; P390-F417 HydrophobicContact CG-CD2 4.43Å
391	L	87	Confident	85.2	Confident	154 Å²	154	92.5 Å²	92.5	81%	0.806	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	144.9	179.2	-70.3	174	0	0	0	110.9	S393	L391-S393 PolarHBondContact O-N 2.88Å
392	N	82.4	Confident	83.9	Confident	77 Å²	77	93.4 Å²	93.4	41%	0.412	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	14	-176.6	-55.9	-51.9	0	0	0	116	F394 K395 H396	N392-F394 VanDerWaalsContact C-N 3.31Å; N392-F394 PolarHBondContact O-N 2.71Å; N392-F394 VanDerWaalsContact O-N 3.17Å; N392-K395 HydrophobicContact CB-CB 4.21Å; N392-K395 HydrophobicContact CB-CD 4.12Å; N392-K395 HydrophobicContact CB-CG 4.38Å; N392-K395 WeakPolarHBondContact O-CA 3.23Å; N392-K395 WeakPolarHBondContact O-CB 3.08Å; N392-K395 PolarHBondContact O-N 3.21Å; N392-K395 WeakPolarHBondContact OD1-CD 3.31Å; N392-K395 WeakPolarHBondContact OD1-CE 3.37Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; N392-H396 PolarHBondContact O-CD2 2.66Å; N392-H396 VanDerWaalsContact O-CD2 3.29Å; N392-H396 PolarHBondContact O-N 3.49Å
393	S	86.8	Confident	82.6	Confident	7 Å²	7	100.6 Å²	100.6	5%	0.049	52%	0.517	C	S	.	.	H	α-helix	trans	-44.6	-50.9	176.1	-72.4	0	0	0	0	113.7	P390 L391 K395 H396 L397	P390-S393 WeakPolarHBondContact O-CB 3.4Å; P390-S393 PolarHBondContact O-N 2.82Å; P390-S393 VanDerWaalsContact O-N 3.16Å; P390-S393 PolarHBondContact O-OG 3.46Å; L391-S393 PolarHBondContact O-N 2.88Å; S393-K395 PolarHBondContact O-N 3.04Å; S393-H396 PolarHBondContact O-N 2.79Å; S393-H396 VanDerWaalsContact O-N 3.17Å; S393-L397 WeakPolarHBondContact O-CB 3.34Å; S393-L397 PolarHBondContact O-N 2.94Å
394	F	82.3	Confident	81	Confident	185 Å²	185	100.5 Å²	100.5	81%	0.811	51%	0.511	S	S	*	.	H	α-helix	trans	-68.8	-13.7	178.6	-55.9	-73.2	0	0	0	115.1	N392	N392-F394 VanDerWaalsContact C-N 3.31Å; N392-F394 PolarHBondContact O-N 2.71Å; N392-F394 VanDerWaalsContact O-N 3.17Å
395	K	80.6	Confident	79.4	Confident	132 Å²	132	101.7 Å²	101.7	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-92.2	-4.4	174.9	-57.6	-176.2	-172.3	158.8	0	113.2	N392 S393 F401	N392-K395 HydrophobicContact CB-CB 4.21Å; N392-K395 HydrophobicContact CB-CD 4.12Å; N392-K395 HydrophobicContact CB-CG 4.38Å; N392-K395 WeakPolarHBondContact O-CA 3.23Å; N392-K395 WeakPolarHBondContact O-CB 3.08Å; N392-K395 PolarHBondContact O-N 3.21Å; N392-K395 WeakPolarHBondContact OD1-CD 3.31Å; N392-K395 WeakPolarHBondContact OD1-CE 3.37Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; S393-K395 PolarHBondContact O-N 3.04Å; K395-F401 WeakPolarHBondContact O-CE2 3.43Å; K395-F401 WeakPolarHBondContact O-CZ 3.28Å
396	H	78.7	Confident	77.9	Confident	56 Å²	56	104.6 Å²	104.6	26%	0.259	56%	0.561	S	S	.	*	H	α-helix	trans	-132	-17.5	-177.4	-59.3	-53.2	0	0	0	113.2	N392 S393 F413	N392-H396 PolarHBondContact O-CD2 2.66Å; N392-H396 VanDerWaalsContact O-CD2 3.29Å; N392-H396 PolarHBondContact O-N 3.49Å; S393-H396 PolarHBondContact O-N 2.79Å; S393-H396 VanDerWaalsContact O-N 3.17Å; H396-F413 HydrophobicContact CB-CD1 3.69Å; H396-F413 HydrophobicContact CB-CE1 4.08Å; H396-F413 HydrophobicContact CB-CG 4.25Å
397	L	82.6	Confident	77.2	Confident	42 Å²	42	102.4 Å²	102.4	22%	0.22	55%	0.549	C	S	.	.			trans	-119.7	135.5	-178.9	-53.8	174	0	0	0	110.9	S393 F413 E414 F417	S393-L397 WeakPolarHBondContact O-CB 3.34Å; S393-L397 PolarHBondContact O-N 2.94Å; L397-F413 HydrophobicContact CD1-CD1 4.4Å; L397-F413 HydrophobicContact CD1-CE1 3.8Å; L397-F413 HydrophobicContact CD2-CD1 4.1Å; L397-F413 HydrophobicContact CD2-CE1 4.31Å; L397-F413 HydrophobicContact CG-CD1 4.1Å; L397-F413 HydrophobicContact CG-CE1 3.84Å; L397-E414 HydrophobicContact CD2-CB 4.22Å; L397-E414 HydrophobicContact CD2-CG 4.03Å; L397-F417 HydrophobicContact CD1-CB 4.18Å; L397-F417 HydrophobicContact CD1-CD1 3.67Å; L397-F417 HydrophobicContact CD1-CD2 3.51Å; L397-F417 HydrophobicContact CD1-CE1 3.85Å; L397-F417 HydrophobicContact CD1-CE2 3.67Å; L397-F417 HydrophobicContact CD1-CG 3.5Å; L397-F417 VanDerWaalsContact CD1-CG 3.5Å; L397-F417 HydrophobicContact CD1-CZ 3.85Å
398	G	82.2	Confident	76.6	Confident	55 Å²	55	101.9 Å²	101.9	57%	0.567	55%	0.551	S	S	*	*	S	Bend	trans	154.1	156.6	174.8	0	0	0	0	0	112.4	F400 F401	G398-F400 PolarHBondContact O-N 2.79Å; G398-F401 PolarHBondContact O-N 2.69Å; G398-F401 VanDerWaalsContact O-N 3.12Å
399	I	80	Confident	75.9	Confident	164 Å²	164	103 Å²	103	84%	0.841	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.8	-177.3	-62.2	173.3	0	0	0	111.9
400	F	73.1	Confident	75.3	Confident	201 Å²	201	98.4 Å²	98.4	88%	0.882	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	5.5	-179.3	-57.2	-69.6	0	0	0	113.9	G398 N402	G398-F400 PolarHBondContact O-N 2.79Å; F400-N402 PolarHBondContact O-N 3.16Å
401	F	69.7	Low	74.8	Confident	79 Å²	79	99.4 Å²	99.4	35%	0.346	53%	0.525	S	S	.	.	S	Bend	trans	-76	120.6	176.1	-156.9	-98.9	0	0	0	109.6	K395 G398 K403 A410	K395-F401 WeakPolarHBondContact O-CE2 3.43Å; K395-F401 WeakPolarHBondContact O-CZ 3.28Å; G398-F401 PolarHBondContact O-N 2.69Å; G398-F401 VanDerWaalsContact O-N 3.12Å; F401-K403 PolarHBondContact O-N 3.23Å; F401-A410 HydrophobicContact CE1-CB 4.29Å
402	N	55.2	Low	74.8	Confident	107 Å²	107	96.7 Å²	96.7	57%	0.572	51%	0.508	S	S	*	.			trans	-70.2	118.3	-168.8	-165.3	26.2	0	0	0	110.8	F400 D404	F400-N402 PolarHBondContact O-N 3.16Å; N402-D404 PolarHBondContact ND2-OD1 2.85Å; N402-D404 PolarHBondContact ND2-OD2 3.37Å; N402-D404 PolarHBondContact O-N 3.4Å
403	K	60	Low	75	Confident	156 Å²	156	94.7 Å²	94.7	68%	0.678	50%	0.496	S	S	*	.			trans	-77.9	53.4	175.3	-63.8	-166.8	173.2	-147.8	0	111.2	F401 A405 E414	F401-K403 PolarHBondContact O-N 3.23Å; K403-A405 PolarHBondContact O-N 2.83Å; K403-E414 WeakPolarHBondContact CE-OE2 3.42Å; K403-E414 IonicContact NZ-OE1 3.51Å; K403-E414 IonicContact NZ-OE2 2.73Å; K403-E414 PolarHBondContact NZ-OE2 3.34Å
404	D	58.5	Low	75	Confident	100 Å²	100	96.8 Å²	96.8	54%	0.535	51%	0.505	S	S	.	.			trans	-62.3	107	165.7	-72.5	-37.4	0	0	0	107.2	N402 A406 N407	N402-D404 PolarHBondContact ND2-OD1 2.85Å; N402-D404 PolarHBondContact ND2-OD2 3.37Å; N402-D404 PolarHBondContact O-N 3.4Å; D404-A406 PolarHBondContact O-N 2.89Å; D404-N407 PolarHBondContact O-N 3.44Å
405	A	57.1	Low	75.3	Confident	88 Å²	88	94.2 Å²	94.2	73%	0.727	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-5.9	-171.9	0	0	0	0	0	114.8	K403	K403-A405 PolarHBondContact O-N 2.83Å
406	A	60.7	Low	75.8	Confident	91 Å²	91	94.5 Å²	94.5	75%	0.752	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.8	174.2	0	0	0	0	0	114.3	D404 I408	D404-A406 PolarHBondContact O-N 2.89Å; A406-I408 PolarHBondContact O-N 3.27Å; A406-I408 VanDerWaalsContact O-N 3.08Å
407	N	75.2	Confident	76.5	Confident	68 Å²	68	94.3 Å²	94.3	36%	0.364	50%	0.496	S	S	.	.			trans	-85.9	79.9	178.9	-167.4	-16.7	0	0	0	111.3	D404 H409 A410 I411	D404-N407 PolarHBondContact O-N 3.44Å; N407-H409 VanDerWaalsContact C-N 3.31Å; N407-H409 PolarHBondContact O-N 2.82Å; N407-A410 HydrophobicContact CB-CB 4.15Å; N407-A410 PolarHBondContact O-N 3.25Å; N407-A410 PolarHBondContact OD1-N 2.97Å; N407-I411 PolarHBondContact O-N 3.26Å
408	I	80.1	Confident	76.9	Confident	105 Å²	105	98.9 Å²	98.9	54%	0.538	51%	0.51	S	S	.	.	H	α-helix	trans	-52.6	-46.6	-178.5	-64.7	173.6	0	0	0	111.4	A406 A410 I411 E412	A406-I408 PolarHBondContact O-N 3.27Å; A406-I408 VanDerWaalsContact O-N 3.08Å; I408-A410 PolarHBondContact O-N 3.15Å; I408-I411 WeakPolarHBondContact O-CB 3.35Å; I408-I411 PolarHBondContact O-N 2.97Å; I408-E412 HydrophobicContact CG2-CG 4.21Å; I408-E412 WeakPolarHBondContact CG2-OE1 3.27Å; I408-E412 WeakPolarHBondContact O-CG 3.42Å; I408-E412 PolarHBondContact O-N 3.38Å
409	H	79.3	Confident	77.5	Confident	141 Å²	141	100.6 Å²	100.6	65%	0.653	51%	0.509	S	S	*	.	H	α-helix	trans	-62.3	-37.9	-179.4	-65.3	-43.6	0	0	0	113.7	N407 I411 E412 F413	N407-H409 VanDerWaalsContact C-N 3.31Å; N407-H409 PolarHBondContact O-N 2.82Å; H409-I411 VanDerWaalsContact C-N 3.31Å; H409-I411 PolarHBondContact O-N 3.21Å; H409-E412 IonicContact ND1-OE2 3.34Å; H409-E412 PolarHBondContact ND1-OE2 3.44Å; H409-E412 PolarHBondContact O-N 2.69Å; H409-F413 VanDerWaalsContact O-CB 3.26Å; H409-F413 WeakPolarHBondContact O-CB 3.43Å; H409-F413 PolarHBondContact O-N 2.87Å
410	A	78.5	Confident	78.2	Confident	12 Å²	12	95.8 Å²	95.8	10%	0.099	48%	0.483	C	S	.	.	H	α-helix	trans	-66.8	-34.8	175.1	0	0	0	0	0	111.9	F401 N407 I408 E414	F401-A410 HydrophobicContact CE1-CB 4.29Å; N407-A410 HydrophobicContact CB-CB 4.15Å; N407-A410 PolarHBondContact O-N 3.25Å; N407-A410 PolarHBondContact OD1-N 2.97Å; I408-A410 PolarHBondContact O-N 3.15Å; A410-E414 PolarHBondContact O-N 3.37Å
411	I	81.3	Confident	79.2	Confident	68 Å²	68	88.9 Å²	88.9	35%	0.349	46%	0.458	S	S	.	.	H	α-helix	trans	-71	-41.1	176.4	-63.4	167.4	0	0	0	111	N407 I408 H409 E414 K415	N407-I411 PolarHBondContact O-N 3.26Å; I408-I411 WeakPolarHBondContact O-CB 3.35Å; I408-I411 PolarHBondContact O-N 2.97Å; H409-I411 VanDerWaalsContact C-N 3.31Å; H409-I411 PolarHBondContact O-N 3.21Å; I411-E414 PolarHBondContact O-N 3.2Å; I411-K415 HydrophobicContact CG2-CD 4.4Å; I411-K415 VanDerWaalsContact O-CG 3.3Å; I411-K415 WeakPolarHBondContact O-CG 3.24Å; I411-K415 PolarHBondContact O-N 3.41Å; I411-K415 VanDerWaalsContact O-N 3.09Å
412	E	85.9	Confident	80.5	Confident	96 Å²	96	89.2 Å²	89.2	45%	0.449	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-46.3	174.6	-72.4	169.8	163	0	0	111.2	I408 H409 E414 K415 E416	I408-E412 HydrophobicContact CG2-CG 4.21Å; I408-E412 WeakPolarHBondContact CG2-OE1 3.27Å; I408-E412 WeakPolarHBondContact O-CG 3.42Å; I408-E412 PolarHBondContact O-N 3.38Å; H409-E412 IonicContact ND1-OE2 3.34Å; H409-E412 PolarHBondContact ND1-OE2 3.44Å; H409-E412 PolarHBondContact O-N 2.69Å; E412-E414 PolarHBondContact O-N 3.07Å; E412-K415 WeakPolarHBondContact O-CB 3.09Å; E412-K415 PolarHBondContact O-N 3.35Å; E412-K415 VanDerWaalsContact O-N 3.14Å; E412-E416 PolarHBondContact O-N 3Å
413	F	87.6	Confident	82.4	Confident	35 Å²	35	90.3 Å²	90.3	15%	0.154	46%	0.464	C	S	.	.	H	α-helix	trans	-61.4	-42.2	175.7	-170.6	-86.4	0	0	0	112.4	P390 H396 L397 H409 K415 E416 F417	P390-F413 HydrophobicContact CB-CE2 3.93Å; P390-F413 HydrophobicContact CB-CZ 3.87Å; H396-F413 HydrophobicContact CB-CD1 3.69Å; H396-F413 HydrophobicContact CB-CE1 4.08Å; H396-F413 HydrophobicContact CB-CG 4.25Å; L397-F413 HydrophobicContact CD1-CD1 4.4Å; L397-F413 HydrophobicContact CD1-CE1 3.8Å; L397-F413 HydrophobicContact CD2-CD1 4.1Å; L397-F413 HydrophobicContact CD2-CE1 4.31Å; L397-F413 HydrophobicContact CG-CD1 4.1Å; L397-F413 HydrophobicContact CG-CE1 3.84Å; H409-F413 VanDerWaalsContact O-CB 3.26Å; H409-F413 WeakPolarHBondContact O-CB 3.43Å; H409-F413 PolarHBondContact O-N 2.87Å; F413-K415 VanDerWaalsContact C-N 3.31Å; F413-K415 PolarHBondContact O-N 3.29Å; F413-E416 PolarHBondContact O-N 2.9Å; F413-F417 VanDerWaalsContact O-CB 3.25Å; F413-F417 WeakPolarHBondContact O-CB 3.49Å; F413-F417 PolarHBondContact O-N 3.02Å
414	E	86.6	Confident	84.1	Confident	52 Å²	52	84.8 Å²	84.8	24%	0.243	44%	0.442	C	S	.	.	H	α-helix	trans	-61	-39.9	174.1	-161.2	-157.5	129.8	0	0	111.5	L397 K403 A410 I411 E412 R418	L397-E414 HydrophobicContact CD2-CB 4.22Å; L397-E414 HydrophobicContact CD2-CG 4.03Å; K403-E414 WeakPolarHBondContact CE-OE2 3.42Å; K403-E414 IonicContact NZ-OE1 3.51Å; K403-E414 IonicContact NZ-OE2 2.73Å; K403-E414 PolarHBondContact NZ-OE2 3.34Å; A410-E414 PolarHBondContact O-N 3.37Å; I411-E414 PolarHBondContact O-N 3.2Å; E412-E414 PolarHBondContact O-N 3.07Å; E414-R418 WeakPolarHBondContact O-CB 2.84Å; E414-R418 PolarHBondContact O-N 2.87Å; E414-R418 IonicContact OE1-CZ 2.69Å; E414-R418 IonicContact OE1-NE 3.52Å; E414-R418 IonicContact OE1-NH2 3.1Å; E414-R418 PolarHBondContact OE1-NH2 2.87Å
415	K	89	Confident	85.8	Confident	130 Å²	130	84.6 Å²	84.6	57%	0.565	44%	0.44	S	S	*	.	H	α-helix	trans	-65.5	-49.6	177.7	-73.1	167.3	179.3	175	0	111.5	I411 E412 F413 R418 V419	I411-K415 HydrophobicContact CG2-CD 4.4Å; I411-K415 VanDerWaalsContact O-CG 3.3Å; I411-K415 WeakPolarHBondContact O-CG 3.24Å; I411-K415 PolarHBondContact O-N 3.41Å; I411-K415 VanDerWaalsContact O-N 3.09Å; E412-K415 WeakPolarHBondContact O-CB 3.09Å; E412-K415 PolarHBondContact O-N 3.35Å; E412-K415 VanDerWaalsContact O-N 3.14Å; F413-K415 VanDerWaalsContact C-N 3.31Å; F413-K415 PolarHBondContact O-N 3.29Å; K415-R418 PolarHBondContact O-N 2.86Å; K415-V419 WeakPolarHBondContact O-CG2 3.45Å; K415-V419 PolarHBondContact O-N 2.93Å
416	E	91	Very high	87.6	Confident	138 Å²	138	86.9 Å²	86.9	65%	0.645	43%	0.434	S	S	*	.	H	α-helix	trans	-61.4	-49.6	-179.9	-173.3	178.3	-173.8	0	0	111.2	E412 F413 R418 V419 Q420	E412-E416 PolarHBondContact O-N 3Å; F413-E416 PolarHBondContact O-N 2.9Å; E416-R418 VanDerWaalsContact C-N 3.28Å; E416-R418 PolarHBondContact O-N 3.32Å; E416-V419 PolarHBondContact O-N 2.89Å; E416-V419 VanDerWaalsContact O-N 3.1Å; E416-Q420 PolarHBondContact O-N 3.01Å
417	F	92.3	Very high	89.2	Confident	52 Å²	52	88.3 Å²	88.3	23%	0.228	42%	0.419	C	S	.	.	H	α-helix	trans	-57.6	-41.1	177.2	-171.6	-85.6	0	0	0	112.2	L389 P390 L397 F413 T421	L389-F417 HydrophobicContact CD2-CE2 4.21Å; L389-F417 HydrophobicContact CD2-CZ 4.44Å; P390-F417 HydrophobicContact CG-CD2 4.43Å; L397-F417 HydrophobicContact CD1-CB 4.18Å; L397-F417 HydrophobicContact CD1-CD1 3.67Å; L397-F417 HydrophobicContact CD1-CD2 3.51Å; L397-F417 HydrophobicContact CD1-CE1 3.85Å; L397-F417 HydrophobicContact CD1-CE2 3.67Å; L397-F417 HydrophobicContact CD1-CG 3.5Å; L397-F417 VanDerWaalsContact CD1-CG 3.5Å; L397-F417 HydrophobicContact CD1-CZ 3.85Å; F413-F417 VanDerWaalsContact O-CB 3.25Å; F413-F417 WeakPolarHBondContact O-CB 3.49Å; F413-F417 PolarHBondContact O-N 3.02Å; F417-T421 WeakPolarHBondContact O-CB 3.38Å; F417-T421 PolarHBondContact O-N 3.26Å; F417-T421 PolarHBondContact O-OG1 3.26Å
418	R	92.2	Very high	89.9	Confident	138 Å²	138	85.3 Å²	85.3	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-42.2	176.1	-178.5	-178.8	-61.1	-77.9	-0.7	112	E414 K415 E416 T421 I422	E414-R418 WeakPolarHBondContact O-CB 2.84Å; E414-R418 PolarHBondContact O-N 2.87Å; E414-R418 IonicContact OE1-CZ 2.69Å; E414-R418 IonicContact OE1-NE 3.52Å; E414-R418 IonicContact OE1-NH2 3.1Å; E414-R418 PolarHBondContact OE1-NH2 2.87Å; K415-R418 PolarHBondContact O-N 2.86Å; E416-R418 VanDerWaalsContact C-N 3.28Å; E416-R418 PolarHBondContact O-N 3.32Å; R418-T421 PolarHBondContact O-N 3.32Å; R418-I422 HydrophobicContact CG-CD1 4Å; R418-I422 VanDerWaalsContact O-CG1 3.3Å; R418-I422 WeakPolarHBondContact O-CG1 3.41Å; R418-I422 PolarHBondContact O-N 3.21Å
419	V	95.3	Very high	90.5	Very high	91 Å²	91	83.7 Å²	83.7	55%	0.552	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-49.3	176.6	168.7	0	0	0	0	110.4	K415 E416 T421 I422 Q423	K415-V419 WeakPolarHBondContact O-CG2 3.45Å; K415-V419 PolarHBondContact O-N 2.93Å; E416-V419 PolarHBondContact O-N 2.89Å; E416-V419 VanDerWaalsContact O-N 3.1Å; V419-T421 VanDerWaalsContact C-N 3.35Å; V419-T421 PolarHBondContact O-N 2.82Å; V419-I422 PolarHBondContact O-N 2.93Å; V419-Q423 WeakPolarHBondContact O-CB 3.1Å; V419-Q423 PolarHBondContact O-N 3.11Å
420	Q	94.2	Very high	91	Very high	63 Å²	63	80.7 Å²	80.7	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-43.1	178.4	-166.3	179.9	21.7	0	0	111.6	E416 I422 Q423 L424	E416-Q420 PolarHBondContact O-N 3.01Å; Q420-I422 PolarHBondContact O-N 2.94Å; Q420-Q423 PolarHBondContact O-N 3.06Å; Q420-L424 HydrophobicContact CG-CD1 4.48Å; Q420-L424 WeakPolarHBondContact O-CG 3.35Å; Q420-L424 PolarHBondContact O-N 3.44Å
421	T	94.6	Very high	91.4	Very high	57 Å²	57	81.3 Å²	81.3	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-58.8	-47.3	175.7	-59	0	0	0	0	111.8	F417 R418 V419 Q423 L424 L425	F417-T421 WeakPolarHBondContact O-CB 3.38Å; F417-T421 PolarHBondContact O-N 3.26Å; F417-T421 PolarHBondContact O-OG1 3.26Å; R418-T421 PolarHBondContact O-N 3.32Å; V419-T421 VanDerWaalsContact C-N 3.35Å; V419-T421 PolarHBondContact O-N 2.82Å; T421-Q423 VanDerWaalsContact C-N 3.33Å; T421-Q423 PolarHBondContact O-N 3.19Å; T421-L424 PolarHBondContact O-N 2.8Å; T421-L425 HydrophobicContact CG2-CD1 4.28Å; T421-L425 WeakPolarHBondContact O-CG 3.35Å; T421-L425 PolarHBondContact O-N 3.17Å
422	I	96.1	Very high	91.6	Very high	86 Å²	86	80 Å²	80	44%	0.441	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-37.6	178.1	-69	167.4	0	0	0	111	R418 V419 Q420 L425 K426	R418-I422 HydrophobicContact CG-CD1 4Å; R418-I422 VanDerWaalsContact O-CG1 3.3Å; R418-I422 WeakPolarHBondContact O-CG1 3.41Å; R418-I422 PolarHBondContact O-N 3.21Å; V419-I422 PolarHBondContact O-N 2.93Å; Q420-I422 PolarHBondContact O-N 2.94Å; I422-L425 PolarHBondContact O-N 2.86Å; I422-K426 HydrophobicContact CG2-CD 4.36Å; I422-K426 WeakPolarHBondContact O-CG 3.41Å; I422-K426 PolarHBondContact O-N 3.18Å
423	Q	95.8	Very high	91.6	Very high	130 Å²	130	82.1 Å²	82.1	61%	0.607	39%	0.391	S	S	*	.	H	α-helix	trans	-67.5	-39.9	178.6	-170.3	171.3	-0.6	0	0	112	V419 Q420 T421 K426 R427	V419-Q423 WeakPolarHBondContact O-CB 3.1Å; V419-Q423 PolarHBondContact O-N 3.11Å; Q420-Q423 PolarHBondContact O-N 3.06Å; T421-Q423 VanDerWaalsContact C-N 3.33Å; T421-Q423 PolarHBondContact O-N 3.19Å; Q423-K426 PolarHBondContact O-N 3.36Å; Q423-R427 WeakPolarHBondContact O-CB 3.33Å; Q423-R427 PolarHBondContact O-N 2.93Å
424	L	95.4	Very high	91.5	Very high	40 Å²	40	87.3 Å²	87.3	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-44.9	171.1	-75.1	172.6	0	0	0	111.8	E384 F385 Q420 T421 K426 R427 L428	E384-L424 HydrophobicContact CB-CD2 4.28Å; E384-L424 HydrophobicContact CG-CD2 3.79Å; F385-L424 HydrophobicContact CD1-CD2 4.16Å; F385-L424 HydrophobicContact CD2-CD2 4.02Å; F385-L424 HydrophobicContact CE1-CB 4.12Å; F385-L424 HydrophobicContact CE1-CD2 4.05Å; F385-L424 HydrophobicContact CE2-CD2 3.93Å; F385-L424 HydrophobicContact CG-CD2 4.16Å; F385-L424 HydrophobicContact CZ-CB 4.29Å; F385-L424 HydrophobicContact CZ-CD2 3.95Å; F385-L424 WeakPolarHBondContact CZ-O 3.33Å; Q420-L424 HydrophobicContact CG-CD1 4.48Å; Q420-L424 WeakPolarHBondContact O-CG 3.35Å; Q420-L424 PolarHBondContact O-N 3.44Å; T421-L424 PolarHBondContact O-N 2.8Å; L424-K426 PolarHBondContact O-N 3.01Å; L424-R427 CarbonylContact O-C 3.59Å; L424-R427 WeakPolarHBondContact O-CB 3.35Å; L424-R427 PolarHBondContact O-N 2.69Å; L424-L428 PolarHBondContact O-N 3.23Å
425	L	94.8	Very high	91	Very high	96 Å²	96	93.5 Å²	93.5	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-41.1	176.4	-70.8	172.6	0	0	0	112.4	T421 I422 R427 L428 V429	T421-L425 HydrophobicContact CG2-CD1 4.28Å; T421-L425 WeakPolarHBondContact O-CG 3.35Å; T421-L425 PolarHBondContact O-N 3.17Å; I422-L425 PolarHBondContact O-N 2.86Å; L425-R427 VanDerWaalsContact C-N 3.34Å; L425-L428 WeakPolarHBondContact O-CB 3.5Å; L425-L428 PolarHBondContact O-N 2.74Å; L425-V429 WeakPolarHBondContact O-CG2 3.34Å; L425-V429 PolarHBondContact O-N 2.93Å
426	K	94.4	Very high	90.2	Very high	136 Å²	136	91.4 Å²	91.4	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-61	-43.1	171.2	-75.3	-179.8	177.3	-173.9	0	111.6	I422 Q423 L424 L428 V429 N430	I422-K426 HydrophobicContact CG2-CD 4.36Å; I422-K426 WeakPolarHBondContact O-CG 3.41Å; I422-K426 PolarHBondContact O-N 3.18Å; Q423-K426 PolarHBondContact O-N 3.36Å; L424-K426 PolarHBondContact O-N 3.01Å; K426-L428 VanDerWaalsContact C-N 3.26Å; K426-L428 PolarHBondContact O-N 3.45Å; K426-V429 PolarHBondContact O-N 2.93Å; K426-N430 VanDerWaalsContact O-CG 3.32Å; K426-N430 PolarHBondContact O-N 3.45Å; K426-N430 PolarHBondContact O-OD1 3.01Å
427	R	93.1	Very high	89.2	Confident	120 Å²	120	87.6 Å²	87.6	45%	0.453	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-35.5	175.6	-171.2	174.8	176.6	99.9	-10	111.8	D382 F385 Q423 L424 L425 K431	D382-R427 VanDerWaalsContact CG-NH2 3.34Å; D382-R427 IonicContact OD1-CZ 3.76Å; D382-R427 IonicContact OD1-NE 2.71Å; D382-R427 PolarHBondContact OD1-NE 2.88Å; D382-R427 IonicContact OD1-NH2 3.84Å; D382-R427 PolarHBondContact OD1-NH2 2.98Å; D382-R427 IonicContact OD2-CZ 2.88Å; D382-R427 VanDerWaalsContact OD2-CZ 3.29Å; D382-R427 IonicContact OD2-NE 2.65Å; D382-R427 PolarHBondContact OD2-NE 2.91Å; D382-R427 IonicContact OD2-NH2 3.29Å; D382-R427 PolarHBondContact OD2-NH2 3.03Å; F385-R427 HydrophobicContact CE2-CB 4.43Å; F385-R427 HydrophobicContact CE2-CG 4.14Å; F385-R427 HydrophobicContact CZ-CB 4.41Å; Q423-R427 WeakPolarHBondContact O-CB 3.33Å; Q423-R427 PolarHBondContact O-N 2.93Å; L424-R427 CarbonylContact O-C 3.59Å; L424-R427 WeakPolarHBondContact O-CB 3.35Å; L424-R427 PolarHBondContact O-N 2.69Å; L425-R427 VanDerWaalsContact C-N 3.34Å; R427-K431 WeakPolarHBondContact O-CG 3.46Å; R427-K431 PolarHBondContact O-N 2.78Å
428	L	91.4	Very high	88.2	Confident	5 Å²	5	85.7 Å²	85.7	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-47.7	172.7	-164.5	74.5	0	0	0	111.7	L371 M374 M375 V378 F385 L424 L425 K426 K431 I432	L371-L428 HydrophobicContact CD2-CD2 4.03Å; M374-L428 HydrophobicContact CB-CD1 4.12Å; M374-L428 HydrophobicContact CB-CD2 4.4Å; M374-L428 HydrophobicContact CB-CG 4.45Å; M374-L428 HydrophobicContact CE-CD1 3.81Å; M374-L428 HydrophobicContact CE-CG 4.06Å; M375-L428 HydrophobicContact SD-CD1 4.32Å; M375-L428 HydrophobicContact SD-CD2 4.22Å; V378-L428 HydrophobicContact CB-CD1 4.28Å; V378-L428 HydrophobicContact CG1-CD1 3.66Å; V378-L428 HydrophobicContact CG2-CD1 3.65Å; F385-L428 HydrophobicContact CE1-CD1 4.34Å; F385-L428 HydrophobicContact CZ-CB 4.32Å; F385-L428 HydrophobicContact CZ-CD1 4.32Å; L424-L428 PolarHBondContact O-N 3.23Å; L425-L428 WeakPolarHBondContact O-CB 3.5Å; L425-L428 PolarHBondContact O-N 2.74Å; K426-L428 VanDerWaalsContact C-N 3.26Å; K426-L428 PolarHBondContact O-N 3.45Å; L428-K431 PolarHBondContact O-N 3.03Å; L428-I432 PolarHBondContact O-N 3.17Å
429	V	91.7	Very high	86.9	Confident	71 Å²	71	82.2 Å²	82.2	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-61.4	-47	177.3	173.3	0	0	0	0	111.2	L425 K426 K431 I432 E433	L425-V429 WeakPolarHBondContact O-CG2 3.34Å; L425-V429 PolarHBondContact O-N 2.93Å; K426-V429 PolarHBondContact O-N 2.93Å; V429-K431 PolarHBondContact O-N 2.87Å; V429-I432 WeakPolarHBondContact O-CA 3.39Å; V429-I432 WeakPolarHBondContact O-CB 3.41Å; V429-I432 PolarHBondContact O-N 3.4Å; V429-E433 HydrophobicContact CG1-CG 4.25Å; V429-E433 PolarHBondContact O-N 2.65Å
430	N	90.3	Very high	85.3	Confident	78 Å²	78	79 Å²	79	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-57.3	-34.3	178.3	-71	20.9	0	0	0	112.6	K426 E433 Q434	K426-N430 VanDerWaalsContact O-CG 3.32Å; K426-N430 PolarHBondContact O-N 3.45Å; K426-N430 PolarHBondContact O-OD1 3.01Å; N430-E433 PolarHBondContact O-N 2.97Å; N430-Q434 VanDerWaalsContact O-CB 3.32Å; N430-Q434 WeakPolarHBondContact O-CB 3.46Å; N430-Q434 WeakPolarHBondContact O-CG 3.44Å; N430-Q434 PolarHBondContact O-N 3.42Å
431	K	86.5	Confident	83.4	Confident	26 Å²	26	85 Å²	85	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-67.4	-35.1	174.8	-69.6	175.3	-176.7	-71.4	0	112.5	M374 V378 D382 R427 L428 V429 R435 Q436	M374-K431 HydrophobicContact CE-CB 4.41Å; V378-K431 HydrophobicContact CG1-CD 3.47Å; V378-K431 VanDerWaalsContact CG1-CD 3.47Å; D382-K431 WeakPolarHBondContact OD2-CE 3.49Å; D382-K431 IonicContact OD2-NZ 3.69Å; D382-K431 PolarHBondContact OD2-NZ 3.18Å; R427-K431 WeakPolarHBondContact O-CG 3.46Å; R427-K431 PolarHBondContact O-N 2.78Å; L428-K431 PolarHBondContact O-N 3.03Å; V429-K431 PolarHBondContact O-N 2.87Å; K431-R435 PolarHBondContact O-N 3.14Å; K431-Q436 HydrophobicContact CB-CB 4.27Å; K431-Q436 VanDerWaalsContact CG-OE1 3.29Å; K431-Q436 WeakPolarHBondContact O-CB 3.48Å; K431-Q436 PolarHBondContact O-N 3.29Å
432	I	86	Confident	81.2	Confident	41 Å²	41	87.7 Å²	87.7	21%	0.21	41%	0.408	C	S	.	.	H	α-helix	trans	-68.3	-46.4	173.7	-58.7	170.7	0	0	0	109.7	L370 M374 L428 V429 Q434 R435 L498	L370-I432 HydrophobicContact CD2-CD1 4.44Å; M374-I432 HydrophobicContact CE-CD1 4.01Å; M374-I432 HydrophobicContact CE-CG1 3.47Å; M374-I432 VanDerWaalsContact CE-CG1 3.47Å; M374-I432 HydrophobicContact CG-CD1 4.16Å; M374-I432 HydrophobicContact CG-CG1 4.41Å; M374-I432 HydrophobicContact SD-CD1 4.09Å; M374-I432 HydrophobicContact SD-CG1 3.68Å; L428-I432 PolarHBondContact O-N 3.17Å; V429-I432 WeakPolarHBondContact O-CA 3.39Å; V429-I432 WeakPolarHBondContact O-CB 3.41Å; V429-I432 PolarHBondContact O-N 3.4Å; I432-Q434 VanDerWaalsContact C-N 3.32Å; I432-Q434 PolarHBondContact O-N 3.31Å; I432-R435 WeakPolarHBondContact O-CA 3.45Å; I432-R435 PolarHBondContact O-N 3.39Å; I432-L498 HydrophobicContact CG2-CD1 4.19Å; I432-L498 HydrophobicContact CG2-CD2 4.03Å; I432-L498 HydrophobicContact CG2-CG 4.36Å
433	E	86	Confident	78.2	Confident	140 Å²	140	88.5 Å²	88.5	65%	0.654	42%	0.421	S	S	*	.	H	α-helix	trans	-60.4	-40	178	-68.2	179.9	160.6	0	0	112.4	V429 N430 R435	V429-E433 HydrophobicContact CG1-CG 4.25Å; V429-E433 PolarHBondContact O-N 2.65Å; N430-E433 PolarHBondContact O-N 2.97Å; E433-R435 PolarHBondContact O-N 2.85Å
434	Q	84.7	Confident	75.1	Confident	144 Å²	144	90 Å²	90	67%	0.673	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	2.2	174.2	-70.3	173.9	0.6	0	0	113.7	N430 I432 Q436	N430-Q434 VanDerWaalsContact O-CB 3.32Å; N430-Q434 WeakPolarHBondContact O-CB 3.46Å; N430-Q434 WeakPolarHBondContact O-CG 3.44Å; N430-Q434 PolarHBondContact O-N 3.42Å; I432-Q434 VanDerWaalsContact C-N 3.32Å; I432-Q434 PolarHBondContact O-N 3.31Å; Q434-Q436 PolarHBondContact O-N 3.29Å
435	R	76.8	Confident	71.8	Confident	182 Å²	182	93.5 Å²	93.5	69%	0.687	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	42.2	-174.6	-58.2	-172.9	179.9	-162.5	-0.5	112.4	K431 I432 E433 T437	K431-R435 PolarHBondContact O-N 3.14Å; I432-R435 WeakPolarHBondContact O-CA 3.45Å; I432-R435 PolarHBondContact O-N 3.39Å; E433-R435 PolarHBondContact O-N 2.85Å; R435-T437 PolarHBondContact O-N 3.11Å
436	Q	71.4	Confident	68.6	Low	86 Å²	86	94 Å²	94	40%	0.402	46%	0.456	S	S	.	.			trans	-69.2	98.4	-177.5	-167.1	170.2	46	0	0	109.6	K431 Q434	K431-Q436 HydrophobicContact CB-CB 4.27Å; K431-Q436 VanDerWaalsContact CG-OE1 3.29Å; K431-Q436 WeakPolarHBondContact O-CB 3.48Å; K431-Q436 PolarHBondContact O-N 3.29Å; Q434-Q436 PolarHBondContact O-N 3.29Å
437	T	71.1	Confident	65.3	Low	57 Å²	57	93 Å²	93	35%	0.35	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-71.8	145.8	-178.7	50.4	0	0	0	0	111.7	R435 S494 I495	R435-T437 PolarHBondContact O-N 3.11Å; T437-S494 WeakPolarHBondContact CB-OG 3.29Å; T437-S494 VanDerWaalsContact OG1-CB 3.24Å; T437-S494 WeakPolarHBondContact OG1-CB 3.42Å; T437-S494 PolarHBondContact OG1-OG 2.75Å; T437-I495 CarbonylContact C-O 3.58Å; T437-I495 VanDerWaalsContact CA-O 3.27Å; T437-I495 WeakPolarHBondContact CA-O 3.32Å; T437-I495 WeakPolarHBondContact CB-O 3.43Å
438	F	69.7	Low	62.1	Low	12 Å²	12	94.2 Å²	94.2	5%	0.053	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.3	-178.2	-50.4	-33.1	0	0	0	111.1	I373 M374 N377 I440 S494 I495 P497	I373-F438 HydrophobicContact CG2-CD2 4.49Å; I373-F438 HydrophobicContact CG2-CE2 3.47Å; I373-F438 VanDerWaalsContact CG2-CE2 3.47Å; I373-F438 HydrophobicContact CG2-CZ 4.12Å; M374-F438 HydrophobicContact SD-CE1 4.06Å; M374-F438 HydrophobicContact SD-CZ 3.66Å; N377-F438 HydrophobicContact CB-CD1 3.53Å; N377-F438 HydrophobicContact CB-CD2 4.37Å; N377-F438 HydrophobicContact CB-CE1 3.36Å; N377-F438 HydrophobicContact CB-CE2 4.25Å; N377-F438 HydrophobicContact CB-CG 3.99Å; N377-F438 HydrophobicContact CB-CZ 3.7Å; N377-F438 WeakPolarHBondContact ND2-CD1 3.28Å; N377-F438 VanDerWaalsContact ND2-CE1 3.28Å; N377-F438 WeakPolarHBondContact ND2-CE1 3.49Å; N377-F438 VanDerWaalsContact OD1-CD1 3.25Å; N377-F438 WeakPolarHBondContact OD1-CD1 3.18Å; F438-I440 PolarHBondContact O-N 3.43Å; F438-S494 CarbonylContact O-C 3.59Å; F438-S494 WeakPolarHBondContact O-CA 3.47Å; F438-S494 WeakPolarHBondContact O-CB 3.31Å; F438-I495 HydrophobicContact CB-CG2 4.39Å; F438-I495 HydrophobicContact CD2-CG2 4.25Å; F438-I495 PolarHBondContact N-O 3.34Å; F438-I495 PolarHBondContact O-N 3.04Å; F438-P497 HydrophobicContact CD2-CB 4.5Å; F438-P497 HydrophobicContact CE1-CB 4.21Å; F438-P497 HydrophobicContact CE1-CG 3.75Å; F438-P497 HydrophobicContact CE2-CB 3.46Å; F438-P497 VanDerWaalsContact CE2-CB 3.46Å; F438-P497 HydrophobicContact CE2-CG 3.83Å; F438-P497 HydrophobicContact CZ-CB 3.33Å; F438-P497 HydrophobicContact CZ-CG 3.38Å
439	P	65.6	Low	59	Low	65 Å²	65	98.8 Å²	98.8	42%	0.422	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	123.3	175.2	26.2	-33.3	0	0	0	110.2	Q493	P439-Q493 CarbonylContact C-O 3.54Å; P439-Q493 WeakPolarHBondContact CA-O 3.45Å
440	I	61.7	Low	56.1	Low	25 Å²	25	102.2 Å²	102.2	13%	0.128	52%	0.524	C	S	.	.	S	Bend	trans	-68.6	-38.7	-178.1	-70.2	-161.9	0	0	0	110.4	F438 I492 Q493 I495 L556 P581	F438-I440 PolarHBondContact O-N 3.43Å; I440-I492 WeakPolarHBondContact CD1-O 3.48Å; I440-Q493 PolarHBondContact N-O 3.27Å; I440-I495 HydrophobicContact CD1-CB 4.18Å; I440-I495 HydrophobicContact CG1-CB 4.35Å; I440-I495 HydrophobicContact CG1-CG2 4.47Å; I440-L556 HydrophobicContact CD1-CD1 4.14Å; I440-L556 HydrophobicContact CD1-CD2 3.67Å; I440-L556 HydrophobicContact CG1-CD2 4.24Å; I440-P581 HydrophobicContact CG2-CB 3.36Å; I440-P581 HydrophobicContact CG2-CG 3.25Å; I440-P581 WeakPolarHBondContact O-CG 2.98Å
441	R	55	Low	53.1	Low	187 Å²	187	107.4 Å²	107.4	71%	0.706	55%	0.546	S	S	*	.	S	Bend	trans	-118.7	136.7	172	-68.3	-178.2	178.3	-179.2	-2.4	110.2	S443 P581	R441-S443 PolarHBondContact O-N 3.14Å; R441-P581 HydrophobicContact CG-CG 4.06Å
442	K	47.2	Very low	50.4	Low	114 Å²	114	115.1 Å²	115.1	50%	0.496	58%	0.583	S	S	.	*			trans	-72.3	107.5	163.6	-70.4	-174.2	-178.3	179	0	108.4	E380 K444	E380-K442 WeakPolarHBondContact OE2-CE 3.17Å; E380-K442 IonicContact OE2-NZ 3.49Å; E380-K442 PolarHBondContact OE2-NZ 3.02Å; K442-K444 VanDerWaalsContact C-N 3.28Å; K442-K444 PolarHBondContact O-N 3.13Å
443	S	32.9	Very low	47.5	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	61%	0.613	S	S	*	*			trans	-65.7	91.3	164.9	52.6	0	0	0	0	108.8	R441 T445	R441-S443 PolarHBondContact O-N 3.14Å; S443-T445 PolarHBondContact O-N 3.43Å
444	K	31.6	Very low	45	Very low	163 Å²	163	125 Å²	125	71%	0.709	63%	0.625	S	S	*	*			trans	-68	82.5	157.6	-86.5	-173.6	174.8	179	0	107.3	K442 V446	K442-K444 VanDerWaalsContact C-N 3.28Å; K442-K444 PolarHBondContact O-N 3.13Å; K444-V446 HydrophobicContact CB-CG2 4.38Å; K444-V446 PolarHBondContact O-N 3.4Å
445	T	26.6	Very low	42.2	Very low	112 Å²	112	127.2 Å²	127.2	69%	0.687	64%	0.635	S	S	*	*			trans	-67	87.7	160.3	-45.8	0	0	0	0	106.1	S443 T447	S443-T445 PolarHBondContact O-N 3.43Å; T445-T447 PolarHBondContact O-N 2.85Å
446	V	26.2	Very low	39.9	Very low	107 Å²	107	124.4 Å²	124.4	65%	0.648	64%	0.643	S	S	*	*			trans	-71.9	90.2	167.9	-179.9	0	0	0	0	105.6	K444 L448	K444-V446 HydrophobicContact CB-CG2 4.38Å; K444-V446 PolarHBondContact O-N 3.4Å; V446-L448 VanDerWaalsContact C-N 3.27Å; V446-L448 HydrophobicContact CG1-CG 4.31Å; V446-L448 PolarHBondContact O-N 3.01Å
447	T	25.2	Very low	37.8	Very low	114 Å²	114	125 Å²	125	70%	0.699	66%	0.657	S	S	*	*			trans	-65.9	95.6	166.8	-38.8	0	0	0	0	106.7	T445 S449	T445-T447 PolarHBondContact O-N 2.85Å; T447-S449 PolarHBondContact O-N 2.98Å
448	L	26	Very low	35.8	Very low	146 Å²	146	132.2 Å²	132.2	76%	0.764	68%	0.684	S	S	*	*			trans	-67.2	76.7	166.2	-91.3	153.6	0	0	0	108.1	V446 N450	V446-L448 VanDerWaalsContact C-N 3.27Å; V446-L448 HydrophobicContact CG1-CG 4.31Å; V446-L448 PolarHBondContact O-N 3.01Å; L448-N450 PolarHBondContact O-N 3.42Å
449	S	26.4	Very low	33.9	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	72%	0.718	S	S	*	*			trans	-73.6	80.6	165.1	60.3	0	0	0	0	108	T447	T447-S449 PolarHBondContact O-N 2.98Å
450	N	31.3	Very low	32.4	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	73%	0.732	S	S	*	*			trans	-60	152.1	157.3	-85.1	-9.5	0	0	0	109	L448	L448-N450 PolarHBondContact O-N 3.42Å
451	Q	27.9	Very low	30.7	Very low	187 Å²	187	150 Å²	150	87%	0.874	77%	0.771	S	S	*	*			trans	-58.3	153.2	-175.7	-63.1	162.1	-14.8	0	0	109.6
452	E	29.7	Very low	29.4	Very low	188 Å²	188	146.1 Å²	146.1	88%	0.879	77%	0.772	S	S	*	*				-148.7	157	73.9	-86.1	172.3	164.6	0	0	115
453	K	25.3	Very low	28.3	Very low	194 Å²	194	148.5 Å²	148.5	84%	0.843	79%	0.79	S	S	*	*			trans	-82.6	126.5	174.6	-62.8	164.1	177.2	170	0	109.3
454	H	32.7	Very low	28.1	Very low	195 Å²	195	148.8 Å²	148.8	90%	0.903	79%	0.791	S	S	*	*			trans	-144.6	138.1	140.3	-93.8	-68.8	0	0	0	110.9
455	Q	26.6	Very low	27.8	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	79%	0.787	S	S	*	*			trans	-86.4	135.2	-177.7	-65	163.9	-45	0	0	110.4
456	S	28.6	Very low	27.7	Very low	123 Å²	123	148.2 Å²	148.2	86%	0.86	80%	0.795	S	S	*	*				-172	153.9	124.4	36.7	0	0	0	0	111.8
457	S	25.9	Very low	27.7	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	80%	0.796	S	S	*	*			trans	-61.8	139.4	-175.1	49.1	0	0	0	0	115.1
458	F	30.5	Very low	27.8	Very low	207 Å²	207	151.5 Å²	151.5	91%	0.908	81%	0.805	S	S	*	*				-158.1	157.2	122.9	-101.1	-69.2	0	0	0	111.1
459	T	29.4	Very low	27.8	Very low	127 Å²	127	152.8 Å²	152.8	78%	0.779	81%	0.805	S	S	*	*			trans	-89.1	166.4	-166.2	31.2	0	0	0	0	114.1
460	P	33.1	Very low	27.8	Very low	110 Å²	110	153.8 Å²	153.8	71%	0.714	81%	0.811	S	S	*	*			trans	-98.1	149.4	-146.1	36.8	-36.2	0	0	0	115.4
461	Y	26.9	Very low	27.7	Very low	239 Å²	239	155 Å²	155	94%	0.937	81%	0.812	S	S	*	*			trans	-147.5	152.5	163.4	-93.5	-76.6	0	0	0	114.6
462	S	27.8	Very low	27.7	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	81%	0.811	S	S	*	*			trans	89.2	94.1	160.1	-146.4	0	0	0	0	118.9
463	L	24.2	Very low	27.8	Very low	164 Å²	164	149.7 Å²	149.7	86%	0.859	81%	0.811	S	S	*	*			trans	-81.1	105.7	160.1	-166.7	89.3	0	0	0	108.8
464	S	27.7	Very low	27.9	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	81%	0.81	S	S	*	*			trans	-100.6	88.2	177	43.6	0	0	0	0	112.3	L466	S464-L466 PolarHBondContact O-N 2.97Å
465	T	25.4	Very low	27.8	Very low	99 Å²	99	144.1 Å²	144.1	61%	0.607	81%	0.807	S	S	*	*			trans	-68.4	117	168	-52.5	0	0	0	0	109.9	T467	T465-T467 VanDerWaalsContact C-N 3.27Å; T465-T467 HydrophobicContact CG2-CG2 4.18Å; T465-T467 PolarHBondContact O-N 2.88Å
466	L	25.4	Very low	27.8	Very low	165 Å²	165	144.7 Å²	144.7	86%	0.864	81%	0.809	S	S	*	*			trans	-74.5	77.6	172.2	-93.8	162.2	0	0	0	111.2	S464	S464-L466 PolarHBondContact O-N 2.97Å
467	T	25.7	Very low	27.9	Very low	108 Å²	108	146 Å²	146	66%	0.663	80%	0.804	S	S	*	*			trans	-85.6	103.1	164	37.1	0	0	0	0	110.3	T465 K469	T465-T467 VanDerWaalsContact C-N 3.27Å; T465-T467 HydrophobicContact CG2-CG2 4.18Å; T465-T467 PolarHBondContact O-N 2.88Å; T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 PolarHBondContact O-N 3.26Å
468	M	27.2	Very low	28	Very low	182 Å²	182	149.4 Å²	149.4	90%	0.897	81%	0.814	S	S	*	*			trans	-67.6	88.8	169.5	-72.4	-71	-81	0	0	110.1
469	K	26.7	Very low	27.9	Very low	173 Å²	173	144.7 Å²	144.7	75%	0.752	80%	0.802	S	S	*	*			trans	-80.1	125.8	163.7	-87.5	-172.6	170.9	-172.5	0	109.4	T467 E471	T467-K469 VanDerWaalsContact C-N 3.33Å; T467-K469 PolarHBondContact O-N 3.26Å; K469-E471 PolarHBondContact O-N 3.17Å
470	S	26.4	Very low	28	Very low	122 Å²	122	145.1 Å²	145.1	85%	0.853	81%	0.805	S	S	*	*			trans	-79.1	109.8	166.6	53.8	0	0	0	0	109.9
471	E	28	Very low	28.1	Very low	167 Å²	167	149.1 Å²	149.1	78%	0.78	81%	0.811	S	S	*	*			trans	-118.8	129.6	164.2	-80.4	179.5	-169.5	0	0	110.2	K469	K469-E471 PolarHBondContact O-N 3.17Å
472	S	29.4	Very low	28.8	Very low	121 Å²	121	146.2 Å²	146.2	85%	0.846	81%	0.806	S	S	*	*			trans	-87.1	115.8	-175.6	52	0	0	0	0	111
473	T	30.1	Very low	29.7	Very low	144 Å²	144	149.6 Å²	149.6	88%	0.883	81%	0.81	S	S	*	*			trans	-132.7	137.2	156.4	48.7	0	0	0	0	109.5
474	G	28.3	Very low	31.2	Very low	79 Å²	79	146.9 Å²	146.9	81%	0.814	80%	0.802	S	S	*	*			trans	-79.9	132.4	-169.2	0	0	0	0	0	113.2
475	K	30.7	Very low	32.8	Very low	193 Å²	193	145 Å²	145	84%	0.839	78%	0.784	S	S	*	*			trans	-143.9	109	145.5	-102.5	175.4	-177.5	176.3	0	107.8	M477	K475-M477 PolarHBondContact O-N 2.91Å
476	E	26.1	Very low	34.8	Very low	202 Å²	202	144.1 Å²	144.1	94%	0.944	78%	0.78	S	S	*	*			trans	-67.7	98.4	169	-70.5	-177.4	133.4	0	0	108.7
477	M	30.6	Very low	36.9	Very low	150 Å²	150	137 Å²	137	74%	0.739	74%	0.741	S	S	*	*			trans	-107.1	123.3	155.6	-71.7	-161	-177.3	0	0	108	K475 T479	K475-M477 PolarHBondContact O-N 2.91Å; M477-T479 PolarHBondContact O-N 3.26Å
478	N	28.4	Very low	38.5	Very low	171 Å²	171	136.8 Å²	136.8	91%	0.914	74%	0.736	S	S	*	*			trans	-65.3	77.1	175.2	-75.8	-35.8	0	0	0	110.8
479	T	29.3	Very low	40	Very low	109 Å²	109	133.6 Å²	133.6	67%	0.669	72%	0.723	S	S	*	*			trans	-96.5	109.5	162.1	47	0	0	0	0	107.1	M477 K481	M477-T479 PolarHBondContact O-N 3.26Å; T479-K481 PolarHBondContact O-N 3.11Å
480	T	31.1	Very low	41.7	Very low	135 Å²	135	126.1 Å²	126.1	83%	0.828	69%	0.691	S	S	*	*			trans	-56.1	102.6	168	-1.3	0	0	0	0	107.3	Q482	T480-Q482 PolarHBondContact O-N 3.49Å
481	K	34.4	Very low	43.6	Very low	194 Å²	194	123.8 Å²	123.8	84%	0.843	67%	0.666	S	S	*	*			trans	-66.2	82.6	171.8	-75	-178.6	177.7	175.1	0	108.2	T479 Q483	T479-K481 PolarHBondContact O-N 3.11Å; K481-Q483 PolarHBondContact O-N 3.05Å; K481-Q483 VanDerWaalsContact O-N 3.12Å
482	Q	42.9	Very low	45.2	Very low	178 Å²	178	119 Å²	119	83%	0.832	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-51.5	120.3	162.3	-75.6	-178.8	-23.2	0	0	106.3	T480	T480-Q482 PolarHBondContact O-N 3.49Å
483	Q	44.8	Very low	46.9	Very low	178 Å²	178	121.4 Å²	121.4	83%	0.832	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.2	173	-72.1	-175.8	-19.5	0	0	107.3	K481 N485	K481-Q483 PolarHBondContact O-N 3.05Å; K481-Q483 VanDerWaalsContact O-N 3.12Å; Q483-N485 PolarHBondContact O-N 3.06Å
484	P	55.7	Low	48.8	Very low	107 Å²	107	116.1 Å²	116.1	70%	0.695	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-54.6	130.4	178.9	23.1	-33.2	0	0	0	108.4	P486	P484-P486 WeakPolarHBondContact O-CD 3.4Å
485	N	61.3	Low	51.2	Low	67 Å²	67	112.8 Å²	112.8	36%	0.358	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-63.4	124.4	-172.1	158.8	36.9	0	0	0	107.8	Q483 Y487 D488	Q483-N485 PolarHBondContact O-N 3.06Å; N485-Y487 PolarHBondContact O-N 3.27Å; N485-Y487 VanDerWaalsContact OD1-CD2 3.29Å; N485-Y487 WeakPolarHBondContact OD1-CD2 3.47Å; N485-Y487 PolarHBondContact OD1-N 3.09Å; N485-D488 WeakPolarHBondContact CB-OD1 3.41Å; N485-D488 WeakPolarHBondContact CB-OD2 3.32Å; N485-D488 PolarHBondContact N-OD2 3.14Å; N485-D488 PolarHBondContact ND2-OD1 2.93Å; N485-D488 WeakPolarHBondContact O-CB 3.33Å; N485-D488 PolarHBondContact O-N 3.49Å
486	P	67.4	Low	53.7	Low	81 Å²	81	104.4 Å²	104.4	53%	0.526	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.6	-170.3	23.9	-34.1	0	0	0	114.4	P484	P484-P486 WeakPolarHBondContact O-CD 3.4Å
487	Y	70.1	Confident	56.6	Low	16 Å²	16	94.9 Å²	94.9	6%	0.063	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-11.5	174.8	-53.4	-76.1	0	0	0	114.1	N485 N489 L490 I612 H616 P631	N485-Y487 PolarHBondContact O-N 3.27Å; N485-Y487 VanDerWaalsContact OD1-CD2 3.29Å; N485-Y487 WeakPolarHBondContact OD1-CD2 3.47Å; N485-Y487 PolarHBondContact OD1-N 3.09Å; Y487-N489 VanDerWaalsContact C-N 3.26Å; Y487-N489 PolarHBondContact O-N 2.83Å; Y487-L490 VanDerWaalsContact O-CB 3.23Å; Y487-L490 WeakPolarHBondContact O-CB 3.42Å; Y487-L490 PolarHBondContact O-N 3.13Å; Y487-I612 HydrophobicContact CD1-CG2 4.31Å; Y487-I612 HydrophobicContact CG-CG2 4.13Å; Y487-H616 HydrophobicContact CE1-CB 3.82Å; Y487-H616 HydrophobicContact CE2-CB 4.43Å; Y487-H616 AromaticContact CE2-ND1 3.47Å; Y487-H616 WeakPolarHBondContact CE2-ND1 3.49Å; Y487-H616 AromaticContact CZ-CG 3.75Å; Y487-H616 AromaticContact CZ-ND1 3.4Å; Y487-H616 VanDerWaalsContact OH-CA 3.31Å; Y487-H616 WeakPolarHBondContact OH-CA 3.24Å; Y487-H616 WeakPolarHBondContact OH-CB 3.34Å; Y487-H616 VanDerWaalsContact OH-CG 3.23Å; Y487-H616 PolarHBondContact OH-ND1 2.9Å; Y487-P631 HydrophobicContact CD1-CG 4.44Å; Y487-P631 HydrophobicContact CD2-CB 3.72Å; Y487-P631 HydrophobicContact CD2-CG 3.64Å; Y487-P631 HydrophobicContact CE1-CG 4.42Å; Y487-P631 HydrophobicContact CE2-CB 3.89Å; Y487-P631 HydrophobicContact CE2-CG 3.66Å; Y487-P631 HydrophobicContact CG-CG 4.12Å
488	D	60.6	Low	59.5	Low	104 Å²	104	90.1 Å²	90.1	56%	0.556	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-59.2	-42.1	178.4	-64.2	-17.2	0	0	0	110.8	N485 L490	N485-D488 WeakPolarHBondContact CB-OD1 3.41Å; N485-D488 WeakPolarHBondContact CB-OD2 3.32Å; N485-D488 PolarHBondContact N-OD2 3.14Å; N485-D488 PolarHBondContact ND2-OD1 2.93Å; N485-D488 WeakPolarHBondContact O-CB 3.33Å; N485-D488 PolarHBondContact O-N 3.49Å; D488-L490 VanDerWaalsContact C-N 3.31Å; D488-L490 PolarHBondContact O-N 2.79Å
489	N	57.4	Low	62.4	Low	114 Å²	114	88.4 Å²	88.4	61%	0.61	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-85.4	11.7	176.1	-69	-38	0	0	0	113.5	Y487 F491 I492	Y487-N489 VanDerWaalsContact C-N 3.26Å; Y487-N489 PolarHBondContact O-N 2.83Å; N489-F491 PolarHBondContact O-N 3.4Å; N489-I492 WeakPolarHBondContact O-CG1 3.37Å; N489-I492 PolarHBondContact O-N 2.83Å; N489-I492 VanDerWaalsContact O-N 3.09Å
490	L	63.3	Low	65.2	Low	17 Å²	17	84 Å²	84	9%	0.089	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-60.1	-34.6	-177.4	-170.3	69.5	0	0	0	111.9	Y487 D488 I492 F583 L611 I612 S615	Y487-L490 VanDerWaalsContact O-CB 3.23Å; Y487-L490 WeakPolarHBondContact O-CB 3.42Å; Y487-L490 PolarHBondContact O-N 3.13Å; D488-L490 VanDerWaalsContact C-N 3.31Å; D488-L490 PolarHBondContact O-N 2.79Å; L490-I492 VanDerWaalsContact C-N 3.29Å; L490-I492 PolarHBondContact O-N 3.22Å; L490-F583 VanDerWaalsContact O-CZ 3.26Å; L490-F583 WeakPolarHBondContact O-CZ 3.26Å; L490-L611 HydrophobicContact CD2-CB 4.35Å; L490-I612 HydrophobicContact CD2-CB 4.37Å; L490-I612 HydrophobicContact CD2-CG1 3.78Å; L490-S615 WeakPolarHBondContact CD1-OG 3.32Å
491	F	64.6	Low	68.2	Low	73 Å²	73	77.5 Å²	77.5	32%	0.32	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-95.1	58.6	172.7	-54.7	-88.6	0	0	0	109.2	N489 Q493 F583 K608 L611 I612	N489-F491 PolarHBondContact O-N 3.4Å; F491-Q493 PolarHBondContact O-N 3.34Å; F491-F583 HydrophobicContact CB-CE2 4.5Å; F491-F583 AromaticContact CD1-CD2 3.7Å; F491-F583 HydrophobicContact CD1-CD2 3.7Å; F491-F583 AromaticContact CD1-CE2 3.87Å; F491-F583 HydrophobicContact CD1-CE2 3.87Å; F491-F583 AromaticContact CE1-CD2 3.96Å; F491-F583 HydrophobicContact CE1-CD2 3.96Å; F491-K608 HydrophobicContact CD2-CD 4.32Å; F491-K608 HydrophobicContact CD2-CG 4.49Å; F491-K608 HydrophobicContact CE2-CB 4.46Å; F491-K608 HydrophobicContact CE2-CD 3.87Å; F491-K608 HydrophobicContact CE2-CG 3.58Å; F491-K608 HydrophobicContact CZ-CB 4.09Å; F491-K608 HydrophobicContact CZ-CD 4.28Å; F491-K608 HydrophobicContact CZ-CG 3.71Å; F491-L611 HydrophobicContact CE1-CD1 3.67Å; F491-L611 HydrophobicContact CZ-CB 4.08Å; F491-L611 HydrophobicContact CZ-CD1 3.8Å; F491-I612 HydrophobicContact CE2-CD1 4.35Å; F491-I612 HydrophobicContact CE2-CG1 4.19Å
492	I	63.5	Low	70.9	Confident	66 Å²	66	70.9 Å²	70.9	34%	0.338	36%	0.36	S	S	.	.			trans	-55.4	135.9	-174.9	-28.7	159.3	0	0	0	109	I440 N489 L490 S494	I440-I492 WeakPolarHBondContact CD1-O 3.48Å; N489-I492 WeakPolarHBondContact O-CG1 3.37Å; N489-I492 PolarHBondContact O-N 2.83Å; N489-I492 VanDerWaalsContact O-N 3.09Å; L490-I492 VanDerWaalsContact C-N 3.29Å; L490-I492 PolarHBondContact O-N 3.22Å; I492-S494 VanDerWaalsContact CB-O 3.27Å; I492-S494 WeakPolarHBondContact CB-O 3.41Å; I492-S494 WeakPolarHBondContact CG2-O 3.32Å; I492-S494 PolarHBondContact O-N 3.45Å
493	Q	64.4	Low	73.3	Confident	172 Å²	172	63.8 Å²	63.8	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	-65.7	-16	169.9	-69.8	-174.8	-1.9	0	0	112.3	P439 I440 F491	P439-Q493 CarbonylContact C-O 3.54Å; P439-Q493 WeakPolarHBondContact CA-O 3.45Å; I440-Q493 PolarHBondContact N-O 3.27Å; F491-Q493 PolarHBondContact O-N 3.34Å
494	S	70.6	Confident	75.5	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138.7	-180	61.9	0	0	0	0	113.6	T437 F438 I492	T437-S494 WeakPolarHBondContact CB-OG 3.29Å; T437-S494 VanDerWaalsContact OG1-CB 3.24Å; T437-S494 WeakPolarHBondContact OG1-CB 3.42Å; T437-S494 PolarHBondContact OG1-OG 2.75Å; F438-S494 CarbonylContact O-C 3.59Å; F438-S494 WeakPolarHBondContact O-CA 3.47Å; F438-S494 WeakPolarHBondContact O-CB 3.31Å; I492-S494 VanDerWaalsContact CB-O 3.27Å; I492-S494 WeakPolarHBondContact CB-O 3.41Å; I492-S494 WeakPolarHBondContact CG2-O 3.32Å; I492-S494 PolarHBondContact O-N 3.45Å
495	I	77.1	Confident	77.2	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.9	-174.7	-161.1	161.6	0	0	0	112.8	T437 F438 I440 P497 L556	T437-I495 CarbonylContact C-O 3.58Å; T437-I495 VanDerWaalsContact CA-O 3.27Å; T437-I495 WeakPolarHBondContact CA-O 3.32Å; T437-I495 WeakPolarHBondContact CB-O 3.43Å; F438-I495 HydrophobicContact CB-CG2 4.39Å; F438-I495 HydrophobicContact CD2-CG2 4.25Å; F438-I495 PolarHBondContact N-O 3.34Å; F438-I495 PolarHBondContact O-N 3.04Å; I440-I495 HydrophobicContact CD1-CB 4.18Å; I440-I495 HydrophobicContact CG1-CB 4.35Å; I440-I495 HydrophobicContact CG1-CG2 4.47Å; I495-P497 WeakPolarHBondContact O-CD 3.42Å; I495-L556 HydrophobicContact CB-CD2 4.44Å; I495-L556 HydrophobicContact CD1-CB 3.97Å; I495-L556 HydrophobicContact CD1-CD2 3.64Å; I495-L556 HydrophobicContact CD1-CG 4.44Å; I495-L556 HydrophobicContact CG2-CD2 4.18Å
496	D	84.2	Confident	78.6	Confident	16 Å²	16	51.9 Å²	51.9	9%	0.086	26%	0.259	C	S	.	.			trans	-74.9	123.9	171.5	-169.1	-40.5	0	0	0	109.9	L498 Y499 L500	D496-L498 PolarHBondContact O-N 2.94Å; D496-L498 VanDerWaalsContact O-N 3.14Å; D496-L498 VanDerWaalsContact OD1-CB 3.25Å; D496-L498 WeakPolarHBondContact OD1-CB 3.27Å; D496-L498 VanDerWaalsContact OD1-CG 3.26Å; D496-L498 WeakPolarHBondContact OD1-CG 3.14Å; D496-L498 PolarHBondContact OD1-N 3.38Å; D496-Y499 HydrophobicContact CB-CD2 3.59Å; D496-Y499 HydrophobicContact CB-CE2 3.8Å; D496-Y499 HydrophobicContact CB-CG 4.07Å; D496-Y499 PolarHBondContact O-N 2.89Å; D496-Y499 VanDerWaalsContact O-N 3.09Å; D496-L500 PolarHBondContact O-N 3.2Å
497	P	87.3	Confident	79.7	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-47.4	-37.5	173.8	1.1	-15.1	0	0	0	115.2	L370 I373 M374 F438 I495 Y499 L500 A501	L370-P497 HydrophobicContact CD1-CB 3.74Å; I373-P497 HydrophobicContact CG2-CB 4.28Å; M374-P497 HydrophobicContact CG-CB 4.17Å; M374-P497 HydrophobicContact SD-CB 3.45Å; M374-P497 WeakPolarHBondContact SD-CB 3.42Å; M374-P497 HydrophobicContact SD-CG 3.37Å; M374-P497 WeakPolarHBondContact SD-CG 3.36Å; F438-P497 HydrophobicContact CD2-CB 4.5Å; F438-P497 HydrophobicContact CE1-CB 4.21Å; F438-P497 HydrophobicContact CE1-CG 3.75Å; F438-P497 HydrophobicContact CE2-CB 3.46Å; F438-P497 VanDerWaalsContact CE2-CB 3.46Å; F438-P497 HydrophobicContact CE2-CG 3.83Å; F438-P497 HydrophobicContact CZ-CB 3.33Å; F438-P497 HydrophobicContact CZ-CG 3.38Å; I495-P497 WeakPolarHBondContact O-CD 3.42Å; P497-Y499 VanDerWaalsContact C-N 3.27Å; P497-Y499 PolarHBondContact O-N 3.23Å; P497-L500 PolarHBondContact O-N 3.28Å; P497-A501 WeakPolarHBondContact O-CB 3.42Å; P497-A501 PolarHBondContact O-N 2.75Å
498	L	90.7	Very high	80.6	Confident	49 Å²	49	53.6 Å²	53.6	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-35.8	-175.8	-58.1	173.1	0	0	0	110.7	Y366 L370 I432 D496 I502	Y366-L498 HydrophobicContact CE1-CD2 4.49Å; Y366-L498 VanDerWaalsContact OH-CA 3.24Å; Y366-L498 WeakPolarHBondContact OH-CA 3.39Å; Y366-L498 VanDerWaalsContact OH-CB 3.27Å; Y366-L498 WeakPolarHBondContact OH-CB 3.39Å; Y366-L498 WeakPolarHBondContact OH-CD2 3.45Å; Y366-L498 PolarHBondContact OH-O 2.86Å; L370-L498 HydrophobicContact CD1-CD2 3.9Å; L370-L498 HydrophobicContact CD2-CD2 3.64Å; L370-L498 HydrophobicContact CG-CD2 4.45Å; I432-L498 HydrophobicContact CG2-CD1 4.19Å; I432-L498 HydrophobicContact CG2-CD2 4.03Å; I432-L498 HydrophobicContact CG2-CG 4.36Å; D496-L498 PolarHBondContact O-N 2.94Å; D496-L498 VanDerWaalsContact O-N 3.14Å; D496-L498 VanDerWaalsContact OD1-CB 3.25Å; D496-L498 WeakPolarHBondContact OD1-CB 3.27Å; D496-L498 VanDerWaalsContact OD1-CG 3.26Å; D496-L498 WeakPolarHBondContact OD1-CG 3.14Å; D496-L498 PolarHBondContact OD1-N 3.38Å; L498-I502 PolarHBondContact O-N 3.11Å; L498-I502 VanDerWaalsContact O-N 3.15Å
499	Y	89.1	Confident	81.9	Confident	135 Å²	135	49.4 Å²	49.4	53%	0.529	24%	0.237	S	C	.	.	H	α-helix	trans	-72.6	-41.8	177	-57.3	-23.1	0	0	0	111.5	D496 P497 A501 I502 D503	D496-Y499 HydrophobicContact CB-CD2 3.59Å; D496-Y499 HydrophobicContact CB-CE2 3.8Å; D496-Y499 HydrophobicContact CB-CG 4.07Å; D496-Y499 PolarHBondContact O-N 2.89Å; D496-Y499 VanDerWaalsContact O-N 3.09Å; P497-Y499 VanDerWaalsContact C-N 3.27Å; P497-Y499 PolarHBondContact O-N 3.23Å; Y499-A501 VanDerWaalsContact C-N 3.29Å; Y499-A501 PolarHBondContact O-N 3.07Å; Y499-I502 VanDerWaalsContact O-CG2 3.31Å; Y499-I502 WeakPolarHBondContact O-CG2 3.37Å; Y499-I502 PolarHBondContact O-N 2.74Å; Y499-D503 WeakPolarHBondContact O-CB 3.32Å; Y499-D503 PolarHBondContact O-N 2.86Å
500	L	89	Confident	83.4	Confident	16 Å²	16	44 Å²	44	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-34.5	175.8	-169.8	64.6	0	0	0	112.2	I373 D496 P497 K504 L556 Y558	I373-L500 HydrophobicContact CD1-CB 4.25Å; I373-L500 HydrophobicContact CD1-CD2 4.13Å; I373-L500 HydrophobicContact CD1-CG 3.94Å; I373-L500 HydrophobicContact CG1-CD2 4.33Å; I373-L500 HydrophobicContact CG2-CD2 4.01Å; D496-L500 PolarHBondContact O-N 3.2Å; P497-L500 PolarHBondContact O-N 3.28Å; L500-K504 WeakPolarHBondContact O-CG 3.5Å; L500-K504 PolarHBondContact O-N 2.83Å; L500-L556 HydrophobicContact CD1-CB 4.47Å; L500-Y558 HydrophobicContact CD1-CE2 4.32Å; L500-Y558 HydrophobicContact CD2-CE2 4.05Å
501	A	93.1	Very high	84.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-45	175.9	0	0	0	0	0	112.7	Y366 E369 L370 I373 P497 Y499 K504 I505	Y366-A501 HydrophobicContact CD2-CB 4.37Å; Y366-A501 HydrophobicContact CE2-CB 3.8Å; E369-A501 HydrophobicContact CB-CB 4.32Å; L370-A501 HydrophobicContact CB-CB 3.85Å; L370-A501 HydrophobicContact CD1-CB 4.02Å; I373-A501 HydrophobicContact CD1-CB 4.19Å; P497-A501 WeakPolarHBondContact O-CB 3.42Å; P497-A501 PolarHBondContact O-N 2.75Å; Y499-A501 VanDerWaalsContact C-N 3.29Å; Y499-A501 PolarHBondContact O-N 3.07Å; A501-K504 PolarHBondContact O-N 3.48Å; A501-I505 PolarHBondContact O-N 3.43Å
502	I	92.6	Very high	85.5	Confident	55 Å²	55	50.6 Å²	50.6	28%	0.282	24%	0.236	S	C	.	.	H	α-helix	trans	-69.7	-35.5	178.3	-165	62.2	0	0	0	111.9	Y366 L498 Y499 K504 I505 M506	Y366-I502 HydrophobicContact CD2-CD1 4.29Å; Y366-I502 HydrophobicContact CE2-CB 4.14Å; L498-I502 PolarHBondContact O-N 3.11Å; L498-I502 VanDerWaalsContact O-N 3.15Å; Y499-I502 VanDerWaalsContact O-CG2 3.31Å; Y499-I502 WeakPolarHBondContact O-CG2 3.37Å; Y499-I502 PolarHBondContact O-N 2.74Å; I502-K504 PolarHBondContact O-N 3.12Å; I502-I505 HydrophobicContact CD1-CD1 4.23Å; I502-I505 PolarHBondContact O-N 3.22Å; I502-M506 HydrophobicContact CD1-CE 3.95Å; I502-M506 HydrophobicContact CG1-CE 4.1Å; I502-M506 WeakPolarHBondContact O-CB 3.45Å; I502-M506 PolarHBondContact O-N 3.23Å
503	D	92	Very high	86.6	Confident	29 Å²	29	47.8 Å²	47.8	16%	0.155	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-42.6	175	-80.5	-15.7	0	0	0	111.5	Y499 I505 M506 L507 M555	Y499-D503 WeakPolarHBondContact O-CB 3.32Å; Y499-D503 PolarHBondContact O-N 2.86Å; D503-I505 VanDerWaalsContact C-N 3.35Å; D503-I505 PolarHBondContact O-N 2.93Å; D503-M506 PolarHBondContact O-N 3.2Å; D503-L507 WeakPolarHBondContact O-CB 3.41Å; D503-L507 PolarHBondContact O-N 3.4Å; D503-M555 HydrophobicContact CB-CE 4.39Å; D503-M555 HydrophobicContact CB-CG 4.05Å; D503-M555 HydrophobicContact CB-SD 4.35Å; D503-M555 WeakPolarHBondContact O-CE 3.34Å
504	K	91.1	Very high	87.6	Confident	79 Å²	79	40.5 Å²	40.5	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-60.4	-40.3	174.3	-77.9	-167.9	-175.6	178.1	0	113.6	E369 I373 L500 A501 I502 L507 K508	E369-K504 HydrophobicContact CG-CB 4.27Å; E369-K504 WeakPolarHBondContact OE2-CD 3.29Å; E369-K504 IonicContact OE2-NZ 3.43Å; E369-K504 PolarHBondContact OE2-NZ 2.86Å; I373-K504 HydrophobicContact CD1-CD 4.02Å; L500-K504 WeakPolarHBondContact O-CG 3.5Å; L500-K504 PolarHBondContact O-N 2.83Å; A501-K504 PolarHBondContact O-N 3.48Å; I502-K504 PolarHBondContact O-N 3.12Å; K504-L507 PolarHBondContact O-N 3.35Å; K504-K508 WeakPolarHBondContact O-CG 3.48Å; K504-K508 PolarHBondContact O-N 3.18Å
505	I	92.3	Very high	88.4	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-45.1	175.5	-64.7	167.3	0	0	0	109.8	Y361 Y366 E369 A501 I502 D503 L507 K508 I509	Y361-I505 HydrophobicContact CD2-CG2 3.94Å; Y361-I505 HydrophobicContact CE2-CG2 4.04Å; Y366-I505 VanDerWaalsContact CA-CD1 3.47Å; Y366-I505 HydrophobicContact CD2-CD1 3.61Å; Y366-I505 HydrophobicContact CG-CD1 4.13Å; E369-I505 HydrophobicContact CG-CG1 4.05Å; A501-I505 PolarHBondContact O-N 3.43Å; I502-I505 HydrophobicContact CD1-CD1 4.23Å; I502-I505 PolarHBondContact O-N 3.22Å; D503-I505 VanDerWaalsContact C-N 3.35Å; D503-I505 PolarHBondContact O-N 2.93Å; I505-L507 VanDerWaalsContact C-N 3.28Å; I505-L507 PolarHBondContact O-N 2.97Å; I505-K508 WeakPolarHBondContact O-CB 3.41Å; I505-K508 PolarHBondContact O-N 3.15Å; I505-K508 VanDerWaalsContact O-N 3.15Å; I505-I509 HydrophobicContact CG2-CD1 3.89Å; I505-I509 HydrophobicContact CG2-CG1 4.5Å; I505-I509 WeakPolarHBondContact O-CG1 3.22Å; I505-I509 PolarHBondContact O-N 3.38Å
506	M	90.4	Very high	89.1	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-35.1	-179.8	-139.6	56.1	43.7	0	0	111.7	Y361 I502 D503 I509 M510 M555	Y361-M506 HydrophobicContact CE2-CE 4.15Å; I502-M506 HydrophobicContact CD1-CE 3.95Å; I502-M506 HydrophobicContact CG1-CE 4.1Å; I502-M506 WeakPolarHBondContact O-CB 3.45Å; I502-M506 PolarHBondContact O-N 3.23Å; D503-M506 PolarHBondContact O-N 3.2Å; M506-I509 HydrophobicContact CE-CD1 4.16Å; M506-I509 PolarHBondContact O-N 2.74Å; M506-I509 HydrophobicContact SD-CD1 3.96Å; M506-M510 WeakPolarHBondContact O-CB 3.33Å; M506-M510 VanDerWaalsContact O-CG 3.23Å; M506-M510 WeakPolarHBondContact O-CG 3.42Å; M506-M510 PolarHBondContact O-N 3.47Å; M506-M555 HydrophobicContact CB-CE 4.06Å
507	L	89.8	Confident	89.5	Confident	25 Å²	25	41.6 Å²	41.6	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-40.4	173.5	-172.9	58.5	0	0	0	112.2	D503 K504 I505 M510 R511 M555 Y586 A600	D503-L507 WeakPolarHBondContact O-CB 3.41Å; D503-L507 PolarHBondContact O-N 3.4Å; K504-L507 PolarHBondContact O-N 3.35Å; I505-L507 VanDerWaalsContact C-N 3.28Å; I505-L507 PolarHBondContact O-N 2.97Å; L507-M510 PolarHBondContact O-N 2.91Å; L507-R511 VanDerWaalsContact O-CG 3.27Å; L507-R511 WeakPolarHBondContact O-CG 3.34Å; L507-R511 PolarHBondContact O-N 3.36Å; L507-R511 VanDerWaalsContact O-N 3.11Å; L507-M555 HydrophobicContact CB-CE 3.85Å; L507-M555 HydrophobicContact CB-SD 3.89Å; L507-M555 HydrophobicContact CD1-CE 4.49Å; L507-M555 HydrophobicContact CD1-SD 4.08Å; L507-M555 HydrophobicContact CD2-SD 4.36Å; L507-M555 HydrophobicContact CG-SD 4.33Å; L507-Y586 HydrophobicContact CD1-CD1 3.59Å; L507-Y586 HydrophobicContact CD1-CD2 4.06Å; L507-Y586 HydrophobicContact CD1-CE1 4.08Å; L507-Y586 HydrophobicContact CD1-CG 3.58Å; L507-A600 WeakPolarHBondContact CD1-O 3.37Å
508	K	89.4	Confident	89.8	Confident	108 Å²	108	42.2 Å²	42.2	47%	0.47	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-47.2	173	-67.8	178.2	-173.4	-178.4	0	111.4	E369 K504 I505 M510 R511 E512	E369-K508 WeakPolarHBondContact OE1-CE 3.36Å; E369-K508 IonicContact OE1-NZ 3.51Å; E369-K508 PolarHBondContact OE1-NZ 3.47Å; K504-K508 WeakPolarHBondContact O-CG 3.48Å; K504-K508 PolarHBondContact O-N 3.18Å; I505-K508 WeakPolarHBondContact O-CB 3.41Å; I505-K508 PolarHBondContact O-N 3.15Å; I505-K508 VanDerWaalsContact O-N 3.15Å; K508-M510 VanDerWaalsContact C-N 3.34Å; K508-M510 PolarHBondContact O-N 3.23Å; K508-R511 PolarHBondContact O-N 3.15Å; K508-E512 PolarHBondContact O-N 3.33Å
509	I	88.1	Confident	89.8	Confident	16 Å²	16	41 Å²	41	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-55	-51.4	176.1	-70.2	168.9	0	0	0	109.9	N268 Y361 I505 M506 R511 E512 S513	N268-I509 PolarHBondContact ND2-O 2.87Å; N268-I509 WeakPolarHBondContact OD1-CG2 3.4Å; N268-I509 PolarHBondContact OD1-O 2.98Å; Y361-I509 HydrophobicContact CD2-CD1 3.67Å; Y361-I509 HydrophobicContact CE2-CD1 3.68Å; I505-I509 HydrophobicContact CG2-CD1 3.89Å; I505-I509 HydrophobicContact CG2-CG1 4.5Å; I505-I509 WeakPolarHBondContact O-CG1 3.22Å; I505-I509 PolarHBondContact O-N 3.38Å; M506-I509 HydrophobicContact CE-CD1 4.16Å; M506-I509 PolarHBondContact O-N 2.74Å; M506-I509 HydrophobicContact SD-CD1 3.96Å; I509-R511 VanDerWaalsContact C-N 3.29Å; I509-R511 PolarHBondContact O-N 3.3Å; I509-E512 CarbonylContact O-C 3.44Å; I509-E512 PolarHBondContact O-N 3.17Å; I509-S513 PolarHBondContact O-N 3.33Å; I509-S513 PolarHBondContact O-OG 3.45Å
510	M	89.2	Confident	89.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-29.9	-179.7	-74.6	178.5	69.4	0	0	114.5	M506 L507 K508 T550 A551 R553 M555 Y586 S588 N591 A600	M506-M510 WeakPolarHBondContact O-CB 3.33Å; M506-M510 VanDerWaalsContact O-CG 3.23Å; M506-M510 WeakPolarHBondContact O-CG 3.42Å; M506-M510 PolarHBondContact O-N 3.47Å; L507-M510 PolarHBondContact O-N 2.91Å; K508-M510 VanDerWaalsContact C-N 3.34Å; K508-M510 PolarHBondContact O-N 3.23Å; M510-T550 VanDerWaalsContact CG-O 3.29Å; M510-T550 WeakPolarHBondContact CG-O 3.36Å; M510-A551 WeakPolarHBondContact CE-O 3.23Å; M510-R553 HydrophobicContact CE-CB 4.43Å; M510-R553 HydrophobicContact CE-CG 4.42Å; M510-R553 HydrophobicContact SD-CB 3.83Å; M510-R553 HydrophobicContact SD-CG 3.46Å; M510-R553 WeakPolarHBondContact SD-CG 3.34Å; M510-M555 HydrophobicContact SD-CE 4.33Å; M510-Y586 WeakPolarHBondContact CE-O 3.26Å; M510-S588 WeakPolarHBondContact O-CB 3.1Å; M510-N591 PolarHBondContact O-ND2 3.36Å; M510-A600 HydrophobicContact CB-CB 4Å
511	R	86.8	Confident	89.9	Confident	100 Å²	100	42.2 Å²	42.2	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-73.8	-30.4	175.1	-72.1	168.2	-179.7	-166.3	-3.9	112.7	L507 K508 I509 A600 N601	L507-R511 VanDerWaalsContact O-CG 3.27Å; L507-R511 WeakPolarHBondContact O-CG 3.34Å; L507-R511 PolarHBondContact O-N 3.36Å; L507-R511 VanDerWaalsContact O-N 3.11Å; K508-R511 PolarHBondContact O-N 3.15Å; I509-R511 VanDerWaalsContact C-N 3.29Å; I509-R511 PolarHBondContact O-N 3.3Å; R511-A600 HydrophobicContact CB-CB 4.49Å; R511-A600 HydrophobicContact CG-CB 3.75Å; R511-A600 WeakPolarHBondContact CG-O 3.47Å; R511-A600 PolarHBondContact NE-O 3.47Å; R511-N601 VanDerWaalsContact CD-OD1 3.32Å; R511-N601 WeakPolarHBondContact CD-OD1 3.39Å; R511-N601 PolarHBondContact NE-OD1 3.01Å
512	E	84.9	Confident	89.8	Confident	130 Å²	130	42.2 Å²	42.2	61%	0.607	21%	0.207	S	C	*	.	H	α-helix	trans	-91.3	-14.5	178.1	-67.2	174.3	-179.1	0	0	112.8	N268 K508 I509	N268-E512 WeakPolarHBondContact ND2-CB 3.4Å; K508-E512 PolarHBondContact O-N 3.33Å; I509-E512 CarbonylContact O-C 3.44Å; I509-E512 PolarHBondContact O-N 3.17Å
513	S	86.1	Confident	89.7	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-69.9	143.1	176	-57.1	0	0	0	0	112.5	Q262 N268 I509 N591	Q262-S513 PolarHBondContact NE2-OG 2.94Å; N268-S513 PolarHBondContact OD1-OG 2.96Å; I509-S513 PolarHBondContact O-N 3.33Å; I509-S513 PolarHBondContact O-OG 3.45Å; S513-N591 WeakPolarHBondContact O-CB 3.21Å; S513-N591 PolarHBondContact O-ND2 2.87Å
514	C	85.6	Confident	89.6	Confident	20 Å²	20	41.7 Å²	41.7	14%	0.135	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.5	159.6	160.4	-69.4	0	0	0	0	111.3	R255	R255-C514 HydrophobicContact CG-CB 4.15Å
515	A	88.8	Confident	89.6	Confident	19 Å²	19	38.5 Å²	38.5	16%	0.157	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-53.3	139.9	164.8	0	0	0	0	0	111.2	R255 E517 S588 L589 N591	R255-A515 VanDerWaalsContact CD-O 3.27Å; R255-A515 WeakPolarHBondContact CD-O 3.36Å; A515-E517 PolarHBondContact O-N 3.48Å; A515-S588 WeakPolarHBondContact CA-O 3.44Å; A515-L589 VanDerWaalsContact CB-O 3.28Å; A515-L589 WeakPolarHBondContact CB-O 3.29Å; A515-N591 PolarHBondContact N-O 3.47Å
516	P	90.7	Very high	89.5	Confident	30 Å²	30	37.9 Å²	37.9	20%	0.195	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-69.6	118.9	-179.5	28.8	-32.8	0	0	0	110.3	R548 A551 L589	P516-R548 HydrophobicContact CB-CG 3.81Å; P516-R548 HydrophobicContact CG-CG 4.41Å; P516-A551 HydrophobicContact CB-CB 4.49Å; P516-A551 HydrophobicContact CG-CB 3.95Å; P516-L589 HydrophobicContact CG-CD2 3.65Å
517	E	93.1	Very high	89.5	Confident	32 Å²	32	38.6 Å²	38.6	15%	0.15	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-72.7	140.7	169.7	-158.1	74.6	-157.8	0	0	109.7	R252 R255 F256 A515 R548	R252-E517 HydrophobicContact CB-CG 4.18Å; R252-E517 WeakPolarHBondContact CB-OE1 3.37Å; R252-E517 WeakPolarHBondContact CD-OE1 3.33Å; R252-E517 VanDerWaalsContact CG-OE1 3.25Å; R252-E517 WeakPolarHBondContact CG-OE1 3.39Å; R252-E517 IonicContact NE-OE1 2.67Å; R255-E517 HydrophobicContact CB-CB 4.03Å; R255-E517 WeakPolarHBondContact CD-OE2 3.39Å; R255-E517 HydrophobicContact CG-CB 4.22Å; R255-E517 IonicContact CZ-OE2 3.66Å; R255-E517 IonicContact NE-OE2 2.76Å; R255-E517 IonicContact NH1-OE2 2.73Å; R255-E517 PolarHBondContact NH1-OE2 3.27Å; F256-E517 HydrophobicContact CB-CB 3.94Å; F256-E517 HydrophobicContact CB-CG 4.04Å; A515-E517 PolarHBondContact O-N 3.48Å; E517-R548 PolarHBondContact O-NH2 2.89Å
518	L	92.3	Very high	89.1	Confident	16 Å²	16	41.6 Å²	41.6	8%	0.084	20%	0.203	C	C	.	.			trans	-106	148.8	-178.6	-60.2	179.9	0	0	0	110.1	E522 L523 F528 I547	L518-E522 HydrophobicContact CB-CB 4.05Å; L518-E522 HydrophobicContact CD2-CB 4.45Å; L518-L523 HydrophobicContact CB-CD2 4.28Å; L518-L523 HydrophobicContact CB-CG 3.89Å; L518-L523 HydrophobicContact CD1-CD2 4.19Å; L518-L523 HydrophobicContact CD1-CG 4.48Å; L518-F528 HydrophobicContact CD1-CD2 3.63Å; L518-F528 HydrophobicContact CD1-CE2 4.05Å; L518-I547 HydrophobicContact CD1-CD1 3.73Å; L518-I547 HydrophobicContact CD2-CD1 3.62Å; L518-I547 HydrophobicContact CD2-CG1 3.66Å; L518-I547 HydrophobicContact CG-CD1 4.27Å
519	S	91.4	Very high	88.7	Confident	23 Å²	23	42.1 Å²	42.1	16%	0.161	21%	0.205	C	C	.	.			trans	-69.9	158.3	166.7	55.7	0	0	0	0	110.6	D521 E522 L523	S519-D521 PolarHBondContact O-N 3.14Å; S519-E522 PolarHBondContact N-OE2 3.38Å; S519-E522 WeakPolarHBondContact O-CA 3.43Å; S519-E522 WeakPolarHBondContact O-CB 3.41Å; S519-E522 PolarHBondContact O-N 2.68Å; S519-E522 VanDerWaalsContact OG-CG 3.26Å; S519-E522 WeakPolarHBondContact OG-CG 3.37Å; S519-E522 PolarHBondContact OG-OE2 3.31Å; S519-L523 PolarHBondContact O-N 3.08Å
520	E	88.9	Confident	87.7	Confident	107 Å²	107	42.6 Å²	42.6	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-56.3	-37.4	178.3	-168.9	56.6	-141.9	0	0	112.2	E522 L523 I524 K529	E520-E522 VanDerWaalsContact C-N 3.32Å; E520-E522 PolarHBondContact O-N 3.42Å; E520-L523 PolarHBondContact O-N 2.89Å; E520-I524 WeakPolarHBondContact O-CG1 3.38Å; E520-I524 PolarHBondContact O-N 2.97Å; E520-K529 IonicContact OE1-NZ 2.83Å; E520-K529 PolarHBondContact OE1-NZ 2.75Å
521	D	90.5	Very high	86.6	Confident	70 Å²	70	44.2 Å²	44.2	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-26	175	-111	-43.4	0	0	0	113.8	L143 S519 I524 R525	L143-D521 HydrophobicContact CD2-CB 4.13Å; S519-D521 PolarHBondContact O-N 3.14Å; D521-I524 WeakPolarHBondContact O-CG1 3.29Å; D521-R525 WeakPolarHBondContact O-CD 3.39Å; D521-R525 VanDerWaalsContact O-CG 3.3Å; D521-R525 WeakPolarHBondContact O-CG 3.49Å; D521-R525 PolarHBondContact O-NE 3.38Å; D521-R525 IonicContact OD1-CZ 2.7Å; D521-R525 IonicContact OD1-NE 3.77Å; D521-R525 IonicContact OD1-NH2 3.5Å; D521-R525 PolarHBondContact OD1-NH2 2.9Å
522	E	92.9	Very high	85.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-84.1	-38.6	172.7	-72.6	176.5	122.2	0	0	111.6	L143 L518 S519 E520 I524 R525 S526 R545 R548 I652	L143-E522 HydrophobicContact CD2-CG 3.61Å; L518-E522 HydrophobicContact CB-CB 4.05Å; L518-E522 HydrophobicContact CD2-CB 4.45Å; S519-E522 PolarHBondContact N-OE2 3.38Å; S519-E522 WeakPolarHBondContact O-CA 3.43Å; S519-E522 WeakPolarHBondContact O-CB 3.41Å; S519-E522 PolarHBondContact O-N 2.68Å; S519-E522 VanDerWaalsContact OG-CG 3.26Å; S519-E522 WeakPolarHBondContact OG-CG 3.37Å; S519-E522 PolarHBondContact OG-OE2 3.31Å; E520-E522 VanDerWaalsContact C-N 3.32Å; E520-E522 PolarHBondContact O-N 3.42Å; E522-I524 PolarHBondContact O-N 2.97Å; E522-R525 CarbonylContact O-C 3.58Å; E522-R525 WeakPolarHBondContact O-CA 3.13Å; E522-R525 PolarHBondContact O-N 3.03Å; E522-S526 WeakPolarHBondContact O-CB 3.33Å; E522-S526 PolarHBondContact O-N 2.92Å; E522-S526 PolarHBondContact O-OG 2.83Å; E522-R545 IonicContact OE1-NH2 2.66Å; E522-R545 PolarHBondContact OE1-NH2 2.98Å; E522-R548 IonicContact OE1-CZ 2.59Å; E522-R548 IonicContact OE1-NH1 2.84Å; E522-R548 PolarHBondContact OE1-NH1 3.5Å; E522-R548 IonicContact OE1-NH2 3.76Å; E522-R548 PolarHBondContact OE1-NH2 3.25Å; E522-R548 IonicContact OE2-CZ 3.43Å; E522-R548 IonicContact OE2-NH1 2.71Å; E522-R548 IonicContact OE2-NH2 3.64Å; E522-R548 PolarHBondContact OE2-NH2 3.38Å; E522-I652 HydrophobicContact CB-CD1 4.31Å; E522-I652 HydrophobicContact CG-CD1 3.85Å
523	L	90.2	Very high	84.6	Confident	41 Å²	41	42.6 Å²	42.6	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-52.7	176.2	-82	161.5	0	0	0	110.8	L518 S519 E520 R525 S526 F528 K529	L518-L523 HydrophobicContact CB-CD2 4.28Å; L518-L523 HydrophobicContact CB-CG 3.89Å; L518-L523 HydrophobicContact CD1-CD2 4.19Å; L518-L523 HydrophobicContact CD1-CG 4.48Å; S519-L523 PolarHBondContact O-N 3.08Å; E520-L523 PolarHBondContact O-N 2.89Å; L523-R525 PolarHBondContact O-N 3.35Å; L523-S526 WeakPolarHBondContact CA-OG 3.4Å; L523-S526 PolarHBondContact O-N 3.38Å; L523-S526 PolarHBondContact O-OG 3.49Å; L523-F528 HydrophobicContact CD2-CB 4.13Å; L523-K529 HydrophobicContact CB-CB 4.3Å; L523-K529 HydrophobicContact CB-CD 4.33Å; L523-K529 WeakPolarHBondContact O-CB 3.4Å
524	I	89.7	Confident	84	Confident	31 Å²	31	44.7 Å²	44.7	16%	0.159	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-5.1	178	65.8	-169.9	0	0	0	114.7	E520 D521 E522 K529 Q530 K656	E520-I524 WeakPolarHBondContact O-CG1 3.38Å; E520-I524 PolarHBondContact O-N 2.97Å; D521-I524 WeakPolarHBondContact O-CG1 3.29Å; E522-I524 PolarHBondContact O-N 2.97Å; I524-K529 HydrophobicContact CG2-CD 3.76Å; I524-K529 HydrophobicContact CG2-CG 4.49Å; I524-Q530 PolarHBondContact O-NE2 3.23Å; I524-K656 HydrophobicContact CD1-CD 3.86Å; I524-K656 HydrophobicContact CD1-CG 4.38Å; I524-K656 HydrophobicContact CG1-CD 4.35Å; I524-K656 HydrophobicContact CG1-CG 4.41Å
525	R	91.2	Very high	83.5	Confident	13 Å²	13	43.8 Å²	43.8	5%	0.049	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	9.9	176	-63.8	171.2	-150.8	-98	-2.7	112.4	D521 E522 L523 I652 T653 E654 K656	D521-R525 WeakPolarHBondContact O-CD 3.39Å; D521-R525 VanDerWaalsContact O-CG 3.3Å; D521-R525 WeakPolarHBondContact O-CG 3.49Å; D521-R525 PolarHBondContact O-NE 3.38Å; D521-R525 IonicContact OD1-CZ 2.7Å; D521-R525 IonicContact OD1-NE 3.77Å; D521-R525 IonicContact OD1-NH2 3.5Å; D521-R525 PolarHBondContact OD1-NH2 2.9Å; E522-R525 CarbonylContact O-C 3.58Å; E522-R525 WeakPolarHBondContact O-CA 3.13Å; E522-R525 PolarHBondContact O-N 3.03Å; L523-R525 PolarHBondContact O-N 3.35Å; R525-I652 HydrophobicContact CB-CB 4.37Å; R525-I652 WeakPolarHBondContact O-CA 3.23Å; R525-T653 VanDerWaalsContact CD-O 3.28Å; R525-T653 WeakPolarHBondContact CD-O 3.46Å; R525-T653 PolarHBondContact O-N 2.85Å; R525-T653 VanDerWaalsContact O-N 3.08Å; R525-T653 PolarHBondContact O-OG1 2.65Å; R525-E654 PolarHBondContact NH1-O 2.89Å; R525-K656 HydrophobicContact CG-CG 4.45Å
526	S	90.5	Very high	83	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-128.7	159.5	-173.9	75.8	0	0	0	0	111.5	E522 L523 F528 K529 Q530 Y646	E522-S526 WeakPolarHBondContact O-CB 3.33Å; E522-S526 PolarHBondContact O-N 2.92Å; E522-S526 PolarHBondContact O-OG 2.83Å; L523-S526 WeakPolarHBondContact CA-OG 3.4Å; L523-S526 PolarHBondContact O-N 3.38Å; L523-S526 PolarHBondContact O-OG 3.49Å; S526-F528 PolarHBondContact O-N 2.84Å; S526-F528 VanDerWaalsContact O-N 3.12Å; S526-F528 WeakPolarHBondContact OG-CD2 3.23Å; S526-F528 PolarHBondContact OG-N 2.92Å; S526-K529 PolarHBondContact O-N 3.27Å; S526-Q530 WeakPolarHBondContact O-CB 3.49Å; S526-Q530 WeakPolarHBondContact O-CG 3.45Å; S526-Q530 PolarHBondContact O-N 2.98Å; S526-Y646 VanDerWaalsContact C-OH 3.3Å; S526-Y646 PolarHBondContact O-OH 2.65Å
527	I	89.5	Confident	82.8	Confident	24 Å²	24	50.1 Å²	50.1	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-51.1	-34.3	173.9	-163.2	76.5	0	0	0	112.8	K529 Q530 G531 Y646	I527-K529 PolarHBondContact O-N 3.01Å; I527-K529 VanDerWaalsContact O-N 3.1Å; I527-Q530 PolarHBondContact O-N 3.02Å; I527-G531 WeakPolarHBondContact CD1-O 3.22Å; I527-G531 PolarHBondContact O-N 2.94Å; I527-Y646 HydrophobicContact CB-CD1 4.39Å; I527-Y646 HydrophobicContact CB-CE1 4.18Å; I527-Y646 WeakPolarHBondContact CB-O 3.43Å; I527-Y646 HydrophobicContact CD1-CD1 3.72Å; I527-Y646 HydrophobicContact CD1-CE1 3.7Å
528	F	81.2	Confident	82.7	Confident	87 Å²	87	48.9 Å²	48.9	38%	0.382	26%	0.256	S	S	.	.	H	α-helix	trans	-65.5	-17.6	-170.8	-54.7	-66.2	0	0	0	114.8	L518 L523 S526 I547	L518-F528 HydrophobicContact CD1-CD2 3.63Å; L518-F528 HydrophobicContact CD1-CE2 4.05Å; L523-F528 HydrophobicContact CD2-CB 4.13Å; S526-F528 PolarHBondContact O-N 2.84Å; S526-F528 VanDerWaalsContact O-N 3.12Å; S526-F528 WeakPolarHBondContact OG-CD2 3.23Å; S526-F528 PolarHBondContact OG-N 2.92Å; F528-I547 HydrophobicContact CE2-CD1 3.84Å
529	K	80.9	Confident	82.7	Confident	119 Å²	119	51.3 Å²	51.3	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-123	-14.2	171.7	-172.6	160	172.3	172.2	0	113.6	E520 L523 I524 S526 I527	E520-K529 IonicContact OE1-NZ 2.83Å; E520-K529 PolarHBondContact OE1-NZ 2.75Å; L523-K529 HydrophobicContact CB-CB 4.3Å; L523-K529 HydrophobicContact CB-CD 4.33Å; L523-K529 WeakPolarHBondContact O-CB 3.4Å; I524-K529 HydrophobicContact CG2-CD 3.76Å; I524-K529 HydrophobicContact CG2-CG 4.49Å; S526-K529 PolarHBondContact O-N 3.27Å; I527-K529 PolarHBondContact O-N 3.01Å; I527-K529 VanDerWaalsContact O-N 3.1Å
530	Q	68	Low	82.8	Confident	27 Å²	27	52.3 Å²	52.3	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-95.6	-21.1	-177.8	-69.9	-129.6	-1.1	0	0	114.8	I524 S526 I527 K534 Y646 M657	I524-Q530 PolarHBondContact O-NE2 3.23Å; S526-Q530 WeakPolarHBondContact O-CB 3.49Å; S526-Q530 WeakPolarHBondContact O-CG 3.45Å; S526-Q530 PolarHBondContact O-N 2.98Å; I527-Q530 PolarHBondContact O-N 3.02Å; Q530-K534 HydrophobicContact CB-CD 4.25Å; Q530-Y646 WeakPolarHBondContact CB-OH 3.41Å; Q530-M657 VanDerWaalsContact OE1-CB 3.31Å
531	G	65.5	Low	83.1	Confident	33 Å²	33	52.6 Å²	52.6	34%	0.34	28%	0.276	S	S	.	.			trans	75.3	170.6	-173.2	0	0	0	0	0	113.4	I527 D533	I527-G531 WeakPolarHBondContact CD1-O 3.22Å; I527-G531 PolarHBondContact O-N 2.94Å; G531-D533 VanDerWaalsContact C-N 3.28Å; G531-D533 PolarHBondContact O-N 3.34Å
532	S	63.9	Low	83.3	Confident	65 Å²	65	50.6 Å²	50.6	46%	0.455	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-59.3	-37	179.6	35	0	0	0	0	113.6	K534 S535	S532-K534 PolarHBondContact O-N 2.96Å; S532-S535 WeakPolarHBondContact O-CB 3.47Å; S532-S535 PolarHBondContact O-N 2.95Å; S532-S535 PolarHBondContact O-OG 3.34Å
533	D	65.9	Low	83.4	Confident	131 Å²	131	54 Å²	54	70%	0.701	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-75.8	-20.4	-156	-45.3	-21.2	0	0	0	111.7	G531 S535	G531-D533 VanDerWaalsContact C-N 3.28Å; G531-D533 PolarHBondContact O-N 3.34Å; D533-S535 VanDerWaalsContact C-N 3.34Å
534	K	72.8	Confident	83.7	Confident	51 Å²	51	52 Å²	52	22%	0.222	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-81.9	-8.4	176.2	-60	-168.6	178.7	-171.6	0	114	Q530 S532 N536 Q537	Q530-K534 HydrophobicContact CB-CD 4.25Å; S532-K534 PolarHBondContact O-N 2.96Å; K534-N536 PolarHBondContact O-N 2.95Å; K534-Q537 WeakPolarHBondContact O-CB 3.46Å; K534-Q537 PolarHBondContact O-N 2.97Å
535	S	75.7	Confident	84	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.5	176.4	60.3	0	0	0	0	112.9	S532 D533 Q537 L538 K647	S532-S535 WeakPolarHBondContact O-CB 3.47Å; S532-S535 PolarHBondContact O-N 2.95Å; S532-S535 PolarHBondContact O-OG 3.34Å; D533-S535 VanDerWaalsContact C-N 3.34Å; S535-Q537 PolarHBondContact O-N 3.3Å; S535-L538 WeakPolarHBondContact O-CB 3.27Å; S535-L538 WeakPolarHBondContact O-CG 3.24Å; S535-L538 PolarHBondContact O-N 3Å; S535-K647 WeakPolarHBondContact OG-CE 3.43Å
536	N	78.8	Confident	84.3	Confident	128 Å²	128	50 Å²	50	68%	0.684	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.9	-14.3	174.6	-63	-0.6	0	0	0	113.7	K534 L538	K534-N536 PolarHBondContact O-N 2.95Å; N536-L538 VanDerWaalsContact C-N 3.27Å
537	Q	85.1	Confident	84.5	Confident	53 Å²	53	50 Å²	50	25%	0.248	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-80.2	-5.8	174	-57.8	-173.9	12.5	0	0	113	K534 S535 M657 H658	K534-Q537 WeakPolarHBondContact O-CB 3.46Å; K534-Q537 PolarHBondContact O-N 2.97Å; S535-Q537 PolarHBondContact O-N 3.3Å; Q537-M657 HydrophobicContact CB-CE 3.7Å; Q537-M657 HydrophobicContact CB-SD 4.12Å; Q537-M657 VanDerWaalsContact O-CE 3.28Å; Q537-M657 WeakPolarHBondContact O-CE 3.31Å; Q537-H658 PolarHBondContact NE2-O 2.91Å; Q537-H658 PolarHBondContact OE1-O 3.37Å
538	L	91.3	Very high	84.7	Confident	7 Å²	7	49 Å²	49	4%	0.037	26%	0.257	C	S	.	.			trans	-66.9	137.5	174.8	-70	171.6	0	0	0	110.1	S535 N536 I627 L639 I643 Y646 T653 M657	S535-L538 WeakPolarHBondContact O-CB 3.27Å; S535-L538 WeakPolarHBondContact O-CG 3.24Å; S535-L538 PolarHBondContact O-N 3Å; N536-L538 VanDerWaalsContact C-N 3.27Å; L538-I627 HydrophobicContact CB-CD1 4.29Å; L538-I627 HydrophobicContact CD2-CD1 4.21Å; L538-L639 HydrophobicContact CB-CD1 4Å; L538-L639 WeakPolarHBondContact O-CD1 3.25Å; L538-I643 HydrophobicContact CB-CG1 4.42Å; L538-I643 HydrophobicContact CD1-CG1 4.03Å; L538-Y646 HydrophobicContact CD1-CG 4.24Å; L538-T653 HydrophobicContact CD2-CG2 3.75Å; L538-M657 HydrophobicContact CD2-CE 3.97Å; L538-M657 HydrophobicContact CD2-SD 3.76Å; L538-M657 HydrophobicContact CG-CE 4.42Å; L538-M657 HydrophobicContact CG-SD 4.04Å
539	T	93.4	Very high	85.2	Confident	66 Å²	66	46.1 Å²	46.1	41%	0.405	25%	0.247	S	C	.	.			trans	-124.6	164.8	174.1	69.7	0	0	0	0	109.4	H541 S542 I627	T539-H541 PolarHBondContact O-N 3.33Å; T539-H541 PolarHBondContact OG1-N 3.33Å; T539-S542 PolarHBondContact N-OG 2.76Å; T539-S542 VanDerWaalsContact N-OG 3.1Å; T539-S542 WeakPolarHBondContact O-CB 3.21Å; T539-S542 PolarHBondContact O-N 3.21Å; T539-S542 PolarHBondContact OG1-N 3.44Å; T539-S542 PolarHBondContact OG1-OG 3.09Å; T539-I627 WeakPolarHBondContact O-CD1 3.11Å
540	I	92.7	Very high	85.8	Confident	45 Å²	45	40.9 Å²	40.9	23%	0.231	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.8	174.2	64.5	166.2	0	0	0	113.6	R628 H635	I540-R628 HydrophobicContact CB-CB 4.22Å; I540-R628 WeakPolarHBondContact O-CB 3.46Å; I540-R628 WeakPolarHBondContact O-CG 3.47Å; I540-R628 PolarHBondContact O-N 3.2Å; I540-H635 HydrophobicContact CG2-CB 4.09Å
541	H	94.6	Very high	87	Confident	113 Å²	113	39.7 Å²	39.7	52%	0.523	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-20	176.6	-59	-57	0	0	0	113.5	T539 K543 R628	T539-H541 PolarHBondContact O-N 3.33Å; T539-H541 PolarHBondContact OG1-N 3.33Å; H541-K543 PolarHBondContact O-N 3.35Å; H541-R628 PolarHBondContact CE1-NH1 3.44Å; H541-R628 PolarHBondContact ND1-NH1 3.36Å
542	S	95	Very high	88.3	Confident	27 Å²	27	38.1 Å²	38.1	19%	0.189	20%	0.204	C	C	.	.			trans	-57.7	135	174.3	-58.8	0	0	0	0	109.4	T539 I627	T539-S542 PolarHBondContact N-OG 2.76Å; T539-S542 VanDerWaalsContact N-OG 3.1Å; T539-S542 WeakPolarHBondContact O-CB 3.21Å; T539-S542 PolarHBondContact O-N 3.21Å; T539-S542 PolarHBondContact OG1-N 3.44Å; T539-S542 PolarHBondContact OG1-OG 3.09Å; S542-I627 WeakPolarHBondContact O-CG1 3.36Å; S542-I627 PolarHBondContact O-N 2.59Å
543	K	96.1	Very high	89.6	Confident	71 Å²	71	37.9 Å²	37.9	31%	0.309	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.9	179.5	-66.9	161.8	173.6	177.7	0	111.1	H541 F624 I625 P626 T653 E654	H541-K543 PolarHBondContact O-N 3.35Å; K543-F624 HydrophobicContact CB-CB 4.22Å; K543-I625 CarbonylContact C-O 3.56Å; K543-I625 VanDerWaalsContact CA-O 3.22Å; K543-I625 WeakPolarHBondContact CA-O 3.42Å; K543-P626 HydrophobicContact CG-CB 4.33Å; K543-P626 HydrophobicContact CG-CG 3.98Å; K543-T653 CarbonylContact O-C 3.53Å; K543-T653 WeakPolarHBondContact O-CA 3.46Å; K543-E654 HydrophobicContact CB-CB 3.85Å; K543-E654 HydrophobicContact CD-CB 4.25Å; K543-E654 HydrophobicContact CD-CG 4.39Å; K543-E654 VanDerWaalsContact CD-OE1 3.31Å; K543-E654 WeakPolarHBondContact CD-OE1 3.33Å; K543-E654 WeakPolarHBondContact CD-OE2 3.39Å; K543-E654 WeakPolarHBondContact CE-OE2 3.41Å; K543-E654 IonicContact NZ-OE1 2.59Å; K543-E654 PolarHBondContact NZ-OE1 3.17Å; K543-E654 IonicContact NZ-OE2 3.38Å; K543-E654 PolarHBondContact NZ-OE2 3.45Å; K543-E654 PolarHBondContact O-N 3.23Å
544	I	96.4	Very high	90.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.2	-173	57.7	165.1	0	0	0	111.6	L617 F624 I625 I627 L630 A642 I651 I652 T653	I544-L617 HydrophobicContact CD1-CD1 4.43Å; I544-L617 HydrophobicContact CD1-CD2 4.06Å; I544-L617 HydrophobicContact CG1-CD2 4.22Å; I544-F624 WeakPolarHBondContact O-CA 3.41Å; I544-I625 HydrophobicContact CG1-CG1 4.42Å; I544-I625 PolarHBondContact N-O 2.75Å; I544-I625 PolarHBondContact O-N 2.85Å; I544-I627 HydrophobicContact CD1-CG1 3.88Å; I544-I627 HydrophobicContact CG1-CG1 3.99Å; I544-I627 HydrophobicContact CG2-CD1 4.01Å; I544-I627 HydrophobicContact CG2-CG1 4.01Å; I544-L630 HydrophobicContact CD1-CD1 4.39Å; I544-A642 HydrophobicContact CD1-CB 4.1Å; I544-I651 HydrophobicContact CB-CD1 3.99Å; I544-I651 HydrophobicContact CD1-CD1 3.74Å; I544-I651 HydrophobicContact CG1-CD1 4.48Å; I544-I651 HydrophobicContact CG2-CD1 3.87Å; I544-I652 WeakPolarHBondContact CA-O 3.37Å; I544-T653 HydrophobicContact CG2-CG2 4.47Å
545	R	96.2	Very high	91.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	138.9	175.4	-178.6	-177.5	62.7	77.9	-24	109.3	L143 E522 I547 Y621 P622 F624 I651 I652	L143-R545 PolarHBondContact O-NE 3.42Å; L143-R545 PolarHBondContact O-NH2 3.14Å; E522-R545 IonicContact OE1-NH2 2.66Å; E522-R545 PolarHBondContact OE1-NH2 2.98Å; R545-I547 PolarHBondContact NH1-O 3.09Å; R545-Y621 HydrophobicContact CG-CD2 4.26Å; R545-P622 VanDerWaalsContact CD-C 3.48Å; R545-P622 WeakPolarHBondContact CD-O 3.28Å; R545-F624 HydrophobicContact CB-CD1 3.5Å; R545-F624 VanDerWaalsContact CB-CD1 3.5Å; R545-F624 HydrophobicContact CB-CD2 4.35Å; R545-F624 HydrophobicContact CB-CE1 3.52Å; R545-F624 HydrophobicContact CB-CE2 4.38Å; R545-F624 HydrophobicContact CB-CG 3.93Å; R545-F624 HydrophobicContact CB-CZ 3.99Å; R545-I651 CarbonylContact O-C 3.58Å; R545-I651 WeakPolarHBondContact O-CA 3.49Å; R545-I651 WeakPolarHBondContact O-CB 3.41Å; R545-I652 PolarHBondContact N-O 2.68Å; R545-I652 PolarHBondContact O-N 3.29Å
546	L	95.9	Very high	92.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	136	168.2	-169.6	80.4	0	0	0	110.2	R548 I552 L614 L617 I618 Y621 F650	L546-R548 PolarHBondContact O-N 3.39Å; L546-I552 HydrophobicContact CD1-CB 4.27Å; L546-I552 HydrophobicContact CD1-CD1 3.67Å; L546-I552 HydrophobicContact CD1-CG2 4.26Å; L546-I552 HydrophobicContact CG-CD1 4.13Å; L546-L614 HydrophobicContact CD1-CD1 3.73Å; L546-L617 HydrophobicContact CB-CB 4.44Å; L546-I618 HydrophobicContact CD2-CG1 3.94Å; L546-Y621 HydrophobicContact CB-CD2 4Å; L546-Y621 WeakPolarHBondContact O-CD2 3.49Å; L546-Y621 VanDerWaalsContact O-CE2 3.23Å; L546-Y621 WeakPolarHBondContact O-CE2 3.42Å; L546-F650 WeakPolarHBondContact CA-O 3.26Å
547	I	94.7	Very high	92.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-64	-47.2	-168.4	-160.8	162.3	0	0	0	113.3	L518 F528 R545 I552 L589 F650 I652	L518-I547 HydrophobicContact CD1-CD1 3.73Å; L518-I547 HydrophobicContact CD2-CD1 3.62Å; L518-I547 HydrophobicContact CD2-CG1 3.66Å; L518-I547 HydrophobicContact CG-CD1 4.27Å; F528-I547 HydrophobicContact CE2-CD1 3.84Å; R545-I547 PolarHBondContact NH1-O 3.09Å; I547-I552 HydrophobicContact CG2-CD1 3.77Å; I547-L589 HydrophobicContact CG2-CD2 3.77Å; I547-F650 PolarHBondContact N-O 3.43Å; I547-I652 HydrophobicContact CB-CG2 4.46Å; I547-I652 HydrophobicContact CD1-CG2 3.85Å; I547-I652 HydrophobicContact CG1-CG2 3.88Å
548	R	94.5	Very high	92	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.011	14%	0.136	C	C	.	.			trans	-150.3	141.4	173.8	-65.2	-67.4	-179.8	-94	2.1	108.8	P516 E517 E522 L546 A551	P516-R548 HydrophobicContact CB-CG 3.81Å; P516-R548 HydrophobicContact CG-CG 4.41Å; E517-R548 PolarHBondContact O-NH2 2.89Å; E522-R548 IonicContact OE1-CZ 2.59Å; E522-R548 IonicContact OE1-NH1 2.84Å; E522-R548 PolarHBondContact OE1-NH1 3.5Å; E522-R548 IonicContact OE1-NH2 3.76Å; E522-R548 PolarHBondContact OE1-NH2 3.25Å; E522-R548 IonicContact OE2-CZ 3.43Å; E522-R548 IonicContact OE2-NH1 2.71Å; E522-R548 IonicContact OE2-NH2 3.64Å; E522-R548 PolarHBondContact OE2-NH2 3.38Å; L546-R548 PolarHBondContact O-N 3.39Å; R548-A551 HydrophobicContact CB-CB 3.78Å
549	S	92.4	Very high	91	Very high	26 Å²	26	29.5 Å²	29.5	18%	0.182	15%	0.146	C	C	.	.	S	Bend	trans	-85	-17.6	178.8	74.2	0	0	0	0	113.7	E263 R553 Y621	E263-S549 WeakPolarHBondContact OE1-CB 3.37Å; E263-S549 PolarHBondContact OE1-N 3.19Å; E263-S549 PolarHBondContact OE1-OG 2.91Å; E263-S549 PolarHBondContact OE2-N 2.94Å; S549-R553 PolarHBondContact O-NE 3.42Å; S549-Y621 PolarHBondContact N-OH 3.5Å; S549-Y621 WeakPolarHBondContact OG-CE1 3.42Å
550	T	92.4	Very high	89.4	Confident	10 Å²	10	33 Å²	33	6%	0.061	16%	0.157	C	C	.	.	S	Bend	trans	-81.1	-18.4	170.1	58.9	0	0	0	0	113.2	Q262 E263 M510	Q262-T550 HydrophobicContact CG-CG2 4.31Å; E263-T550 WeakPolarHBondContact OE2-CB 3.24Å; E263-T550 WeakPolarHBondContact OE2-CG2 3.45Å; E263-T550 PolarHBondContact OE2-N 3.42Å; E263-T550 PolarHBondContact OE2-OG1 3.47Å; M510-T550 VanDerWaalsContact CG-O 3.29Å; M510-T550 WeakPolarHBondContact CG-O 3.36Å
551	A	92.8	Very high	87.7	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.008	16%	0.155	C	C	.	.	S	Bend	trans	-100.1	-9.6	-173.9	0	0	0	0	0	115.3	M510 P516 R548 H587 S588 L589	M510-A551 WeakPolarHBondContact CE-O 3.23Å; P516-A551 HydrophobicContact CB-CB 4.49Å; P516-A551 HydrophobicContact CG-CB 3.95Å; R548-A551 HydrophobicContact CB-CB 3.78Å; A551-H587 CarbonylContact O-C 3.56Å; A551-H587 WeakPolarHBondContact O-CA 3.44Å; A551-S588 VanDerWaalsContact CA-OG 3.32Å; A551-S588 WeakPolarHBondContact CA-OG 3.36Å; A551-S588 WeakPolarHBondContact CB-OG 3.29Å; A551-S588 PolarHBondContact O-N 3.4Å; A551-L589 HydrophobicContact CB-CD2 3.95Å
552	I	94.1	Very high	85.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.3	-179.6	-57.1	164.5	0	0	0	108.5	L546 I547 V585 Y586 H587 L589 L614 F650	L546-I552 HydrophobicContact CD1-CB 4.27Å; L546-I552 HydrophobicContact CD1-CD1 3.67Å; L546-I552 HydrophobicContact CD1-CG2 4.26Å; L546-I552 HydrophobicContact CG-CD1 4.13Å; I547-I552 HydrophobicContact CG2-CD1 3.77Å; I552-V585 HydrophobicContact CG2-CG1 4.05Å; I552-Y586 WeakPolarHBondContact CA-O 3.47Å; I552-H587 HydrophobicContact CG1-CB 4.2Å; I552-L589 HydrophobicContact CD1-CD1 4.22Å; I552-L589 HydrophobicContact CD1-CD2 4.44Å; I552-L589 HydrophobicContact CG1-CD1 4.39Å; I552-L589 HydrophobicContact CG1-CD2 4.3Å; I552-L589 HydrophobicContact CG1-CG 4.39Å; I552-L614 HydrophobicContact CG2-CD1 4.18Å; I552-L614 HydrophobicContact CG2-CD2 4.49Å; I552-F650 HydrophobicContact CD1-CB 3.76Å; I552-F650 HydrophobicContact CD1-CD1 3.94Å; I552-F650 HydrophobicContact CD1-CG 3.86Å; I552-F650 WeakPolarHBondContact CD1-O 3.38Å; I552-F650 HydrophobicContact CG1-CD1 4.44Å; I552-F650 HydrophobicContact CG2-CD2 4.44Å
553	R	91.8	Very high	83.8	Confident	60 Å²	60	40.5 Å²	40.5	23%	0.226	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.7	179.7	-72	-65.8	178.1	124.1	-1.7	112.5	M510 S549 M555 V585 Y586	M510-R553 HydrophobicContact CE-CB 4.43Å; M510-R553 HydrophobicContact CE-CG 4.42Å; M510-R553 HydrophobicContact SD-CB 3.83Å; M510-R553 HydrophobicContact SD-CG 3.46Å; M510-R553 WeakPolarHBondContact SD-CG 3.34Å; S549-R553 PolarHBondContact O-NE 3.42Å; R553-M555 HydrophobicContact CB-CE 3.63Å; R553-M555 HydrophobicContact CB-CG 4.16Å; R553-M555 HydrophobicContact CB-SD 4.47Å; R553-M555 HydrophobicContact CG-CE 3.95Å; R553-V585 CarbonylContact O-C 3.52Å; R553-V585 WeakPolarHBondContact O-CA 3.36Å; R553-Y586 PolarHBondContact N-O 2.85Å; R553-Y586 PolarHBondContact O-N 2.93Å
554	L	92	Very high	81.4	Confident	24 Å²	24	39.3 Å²	39.3	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.6	164.8	172.6	57.6	0	0	0	107.9	F583 V585 L611 L614 I618	L554-F583 HydrophobicContact CD1-CB 4.01Å; L554-F583 HydrophobicContact CD1-CD1 4.14Å; L554-F583 HydrophobicContact CG-CD1 4.49Å; L554-V585 HydrophobicContact CD1-CG2 4.25Å; L554-L611 HydrophobicContact CD1-CD2 3.69Å; L554-L614 HydrophobicContact CB-CD2 4.41Å; L554-I618 HydrophobicContact CB-CD1 4.03Å
555	M	90.1	Very high	78.9	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.5	-176.7	-64.7	176.1	174.3	0	0	111.1	D503 M506 L507 M510 R553 F583 M584 Y586	D503-M555 HydrophobicContact CB-CE 4.39Å; D503-M555 HydrophobicContact CB-CG 4.05Å; D503-M555 HydrophobicContact CB-SD 4.35Å; D503-M555 WeakPolarHBondContact O-CE 3.34Å; M506-M555 HydrophobicContact CB-CE 4.06Å; L507-M555 HydrophobicContact CB-CE 3.85Å; L507-M555 HydrophobicContact CB-SD 3.89Å; L507-M555 HydrophobicContact CD1-CE 4.49Å; L507-M555 HydrophobicContact CD1-SD 4.08Å; L507-M555 HydrophobicContact CD2-SD 4.36Å; L507-M555 HydrophobicContact CG-SD 4.33Å; M510-M555 HydrophobicContact SD-CE 4.33Å; R553-M555 HydrophobicContact CB-CE 3.63Å; R553-M555 HydrophobicContact CB-CG 4.16Å; R553-M555 HydrophobicContact CB-SD 4.47Å; R553-M555 HydrophobicContact CG-CE 3.95Å; M555-F583 WeakPolarHBondContact O-CA 3.5Å; M555-M584 PolarHBondContact N-O 3.43Å; M555-M584 PolarHBondContact O-N 3.44Å; M555-Y586 HydrophobicContact CB-CD2 4.14Å; M555-Y586 HydrophobicContact CB-CE2 4.2Å; M555-Y586 HydrophobicContact CG-CD2 4.24Å; M555-Y586 HydrophobicContact SD-CD2 3.72Å; M555-Y586 HydrophobicContact SD-CE2 4.23Å; M555-Y586 HydrophobicContact SD-CG 4.45Å
556	L	86.4	Confident	76.1	Confident	11 Å²	11	48.9 Å²	48.9	6%	0.058	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.2	167.4	-174.9	71.5	0	0	0	110	I440 I495 L500 Y558 P581 F583	I440-L556 HydrophobicContact CD1-CD1 4.14Å; I440-L556 HydrophobicContact CD1-CD2 3.67Å; I440-L556 HydrophobicContact CG1-CD2 4.24Å; I495-L556 HydrophobicContact CB-CD2 4.44Å; I495-L556 HydrophobicContact CD1-CB 3.97Å; I495-L556 HydrophobicContact CD1-CD2 3.64Å; I495-L556 HydrophobicContact CD1-CG 4.44Å; I495-L556 HydrophobicContact CG2-CD2 4.18Å; L500-L556 HydrophobicContact CD1-CB 4.47Å; L556-Y558 HydrophobicContact CD2-CE2 3.89Å; L556-Y558 WeakPolarHBondContact CD2-OH 3.46Å; L556-Y558 HydrophobicContact CG-CE2 4.2Å; L556-P581 HydrophobicContact CD1-CB 4.14Å; L556-F583 HydrophobicContact CB-CE1 4.34Å; L556-F583 HydrophobicContact CD1-CD1 4.42Å; L556-F583 HydrophobicContact CD1-CD2 4.36Å; L556-F583 HydrophobicContact CD1-CE1 4.2Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L556-F583 HydrophobicContact CD1-CZ 4.04Å
557	T	82.1	Confident	73.3	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.1	177	-59.1	0	0	0	0	110.4	F559 P581 S582 M584 Y586	T557-F559 HydrophobicContact CG2-CD2 4.07Å; T557-F559 HydrophobicContact CG2-CE1 4.45Å; T557-F559 HydrophobicContact CG2-CE2 3.48Å; T557-F559 VanDerWaalsContact CG2-CE2 3.48Å; T557-F559 HydrophobicContact CG2-CZ 3.7Å; T557-P581 WeakPolarHBondContact O-CA 3.47Å; T557-S582 PolarHBondContact N-O 2.94Å; T557-S582 PolarHBondContact O-N 3.2Å; T557-M584 HydrophobicContact CG2-CG 4.42Å; T557-Y586 WeakPolarHBondContact CG2-OH 3.26Å; T557-Y586 WeakPolarHBondContact OG1-CE2 3.45Å; T557-Y586 PolarHBondContact OG1-OH 3.49Å
558	Y	76.8	Confident	70.4	Confident	73 Å²	73	58.3 Å²	58.3	29%	0.286	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.2	177.2	-69.3	-89.7	0	0	0	109.5	L500 L556 M579 I580 P581	L500-Y558 HydrophobicContact CD1-CE2 4.32Å; L500-Y558 HydrophobicContact CD2-CE2 4.05Å; L556-Y558 HydrophobicContact CD2-CE2 3.89Å; L556-Y558 WeakPolarHBondContact CD2-OH 3.46Å; L556-Y558 HydrophobicContact CG-CE2 4.2Å; Y558-M579 HydrophobicContact CD1-CB 4.13Å; Y558-I580 WeakPolarHBondContact CA-O 3.45Å; Y558-P581 HydrophobicContact CD1-CB 4.13Å; Y558-P581 HydrophobicContact CE1-CB 3.96Å
559	F	70.2	Confident	67.7	Low	56 Å²	56	65 Å²	65	25%	0.246	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.3	178.9	-67.9	-92.7	0	0	0	110.5	T557 M579 I580 M584	T557-F559 HydrophobicContact CG2-CD2 4.07Å; T557-F559 HydrophobicContact CG2-CE1 4.45Å; T557-F559 HydrophobicContact CG2-CE2 3.48Å; T557-F559 VanDerWaalsContact CG2-CE2 3.48Å; T557-F559 HydrophobicContact CG2-CZ 3.7Å; F559-M579 CarbonylContact O-C 3.41Å; F559-M579 WeakPolarHBondContact O-CA 2.95Å; F559-I580 PolarHBondContact N-O 3.37Å; F559-I580 PolarHBondContact O-N 2.85Å; F559-M584 HydrophobicContact CE2-CE 4.38Å; F559-M584 HydrophobicContact CE2-CG 3.69Å; F559-M584 HydrophobicContact CE2-SD 3.89Å; F559-M584 HydrophobicContact CZ-CE 3.85Å; F559-M584 HydrophobicContact CZ-CG 3.8Å; F559-M584 HydrophobicContact CZ-SD 3.96Å
560	E	60.7	Low	65.1	Low	139 Å²	139	70.8 Å²	70.8	65%	0.65	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.5	170.2	-67.7	-175.2	161.2	0	0	110	K562 M579	E560-K562 PolarHBondContact O-N 2.94Å; E560-M579 HydrophobicContact CG-CE 4.07Å
561	N	57.4	Low	62.3	Low	34 Å²	34	77.6 Å²	77.6	18%	0.182	41%	0.41	C	S	.	.			trans	-69.4	104.4	176.1	-173	0.6	0	0	0	110.5	E563 S564 S578 I580	N561-E563 PolarHBondContact O-N 3.01Å; N561-E563 WeakPolarHBondContact OD1-CB 3.26Å; N561-E563 PolarHBondContact OD1-N 3.02Å; N561-E563 VanDerWaalsContact OD1-N 3.07Å; N561-S564 WeakPolarHBondContact O-CB 3.27Å; N561-S564 PolarHBondContact O-N 3.37Å; N561-S564 PolarHBondContact O-OG 2.93Å; N561-S578 WeakPolarHBondContact CB-O 3.32Å; N561-S578 PolarHBondContact N-O 2.97Å; N561-I580 HydrophobicContact CB-CD1 3.88Å; N561-I580 HydrophobicContact CB-CG1 4.13Å
562	K	55.2	Low	59.7	Low	157 Å²	157	83.8 Å²	83.8	68%	0.683	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-60.4	-26.5	179.2	-68.9	174.2	-175.5	158.4	0	113.2	E560 S564 N565	E560-K562 PolarHBondContact O-N 2.94Å; K562-S564 PolarHBondContact O-N 3.18Å; K562-N565 PolarHBondContact O-N 3.18Å
563	E	52.3	Low	56.8	Low	152 Å²	152	90 Å²	90	71%	0.71	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.1	179.4	-59.9	176.9	153.7	0	0	112.9	N561 N565 A566	N561-E563 PolarHBondContact O-N 3.01Å; N561-E563 WeakPolarHBondContact OD1-CB 3.26Å; N561-E563 PolarHBondContact OD1-N 3.02Å; N561-E563 VanDerWaalsContact OD1-N 3.07Å; E563-N565 PolarHBondContact O-N 2.86Å; E563-A566 PolarHBondContact O-N 3.03Å; E563-A566 VanDerWaalsContact O-N 3.15Å
564	S	46.1	Very low	54.1	Low	45 Å²	45	94.1 Å²	94.1	32%	0.315	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-65.8	-4.1	179.2	63.3	0	0	0	0	115	N561 K562	N561-S564 WeakPolarHBondContact O-CB 3.27Å; N561-S564 PolarHBondContact O-N 3.37Å; N561-S564 PolarHBondContact O-OG 2.93Å; K562-S564 PolarHBondContact O-N 3.18Å
565	N	42.7	Very low	51.4	Low	116 Å²	116	100.4 Å²	100.4	62%	0.62	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-93.4	-7.8	175.3	-72.2	-33.1	0	0	0	114.5	K562 E563	K562-N565 PolarHBondContact O-N 3.18Å; E563-N565 PolarHBondContact O-N 2.86Å
566	A	37.6	Very low	49.2	Very low	86 Å²	86	106.1 Å²	106.1	71%	0.711	57%	0.567	S	S	*	*	S	Bend	trans	-87.8	-14.7	-165.6	0	0	0	0	0	116.3	E563	E563-A566 PolarHBondContact O-N 3.03Å; E563-A566 VanDerWaalsContact O-N 3.15Å
567	I	37.8	Very low	47.4	Very low	132 Å²	132	111.1 Å²	111.1	68%	0.677	59%	0.589	S	S	*	*			trans	-129.7	101.8	178.8	-53.2	179.5	0	0	0	109.5	D569	I567-D569 HydrophobicContact CG2-CB 4.47Å
568	A	33.7	Very low	46.1	Very low	67 Å²	67	112.8 Å²	112.8	55%	0.554	60%	0.602	S	S	*	*			trans	-101.7	59.2	175.8	0	0	0	0	0	111	N570	A568-N570 PolarHBondContact O-N 2.76Å
569	D	37.8	Very low	45.5	Very low	143 Å²	143	112.9 Å²	112.9	77%	0.765	61%	0.606	S	S	*	*			trans	-70.9	128.8	168	-83.3	-32.6	0	0	0	110.4	I567	I567-D569 HydrophobicContact CG2-CB 4.47Å
570	N	36.6	Very low	45.4	Very low	148 Å²	148	113.4 Å²	113.4	79%	0.791	61%	0.611	S	S	*	*	S	Bend	trans	-68.6	135.9	177.6	-68.8	-52.8	0	0	0	109.8	A568	A568-N570 PolarHBondContact O-N 2.76Å
571	N	35.5	Very low	46.2	Very low	154 Å²	154	107.5 Å²	107.5	82%	0.824	59%	0.585	S	S	*	*	S	Bend	trans	98.8	53.1	174.4	-50.1	-37.1	0	0	0	118.5
572	T	36.5	Very low	47.4	Very low	131 Å²	131	107.9 Å²	107.9	80%	0.804	59%	0.59	S	S	*	*				-166.9	122.4	126.8	11.3	0	0	0	0	112.3	N574	T572-N574 PolarHBondContact O-N 3.39Å
573	S	33.6	Very low	48.9	Very low	131 Å²	131	102.2 Å²	102.2	92%	0.916	57%	0.566	S	S	*	*			trans	-78.1	60.3	-178.9	-53.8	0	0	0	0	113.1
574	N	35.4	Very low	50.8	Low	145 Å²	145	95.5 Å²	95.5	78%	0.775	53%	0.534	S	S	*	.			trans	-137.1	56.8	172.4	-103	-24.1	0	0	0	110.5	T572 Q576	T572-N574 PolarHBondContact O-N 3.39Å; N574-Q576 PolarHBondContact O-N 2.84Å
575	R	36	Very low	53	Low	157 Å²	157	93.4 Å²	93.4	59%	0.592	52%	0.519	S	S	*	.			trans	-67.5	82.1	166.7	-74.9	-170.2	179.9	177.4	0.7	109.8	H577	R575-H577 PolarHBondContact O-N 2.75Å
576	Q	43.3	Very low	55.4	Low	127 Å²	127	88.5 Å²	88.5	59%	0.593	49%	0.492	S	S	*	.			trans	-77.2	88.8	176.5	-163.9	169.5	56	0	0	108.2	N574 S578	N574-Q576 PolarHBondContact O-N 2.84Å; Q576-S578 PolarHBondContact O-N 3.23Å
577	H	47.5	Very low	58	Low	115 Å²	115	84.8 Å²	84.8	53%	0.532	46%	0.46	S	S	.	.			trans	-55.2	98.1	176.3	-73.9	-80.5	0	0	0	110	R575 M579	R575-H577 PolarHBondContact O-N 2.75Å; H577-M579 PolarHBondContact O-N 3.07Å; H577-M579 VanDerWaalsContact O-N 3.15Å
578	S	55.1	Low	60.6	Low	61 Å²	61	78.6 Å²	78.6	43%	0.427	43%	0.428	S	S	.	.			trans	-74.9	106.4	179.9	61.7	0	0	0	0	108.6	N561 Q576 I580	N561-S578 WeakPolarHBondContact CB-O 3.32Å; N561-S578 PolarHBondContact N-O 2.97Å; Q576-S578 PolarHBondContact O-N 3.23Å; S578-I580 PolarHBondContact O-N 2.87Å
579	M	64.4	Low	63.2	Low	75 Å²	75	76 Å²	76	37%	0.369	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.6	168.3	-78.3	179.7	162.5	0	0	109.9	Y558 F559 E560 H577 P581	Y558-M579 HydrophobicContact CD1-CB 4.13Å; F559-M579 CarbonylContact O-C 3.41Å; F559-M579 WeakPolarHBondContact O-CA 2.95Å; E560-M579 HydrophobicContact CG-CE 4.07Å; H577-M579 PolarHBondContact O-N 3.07Å; H577-M579 VanDerWaalsContact O-N 3.15Å; M579-P581 WeakPolarHBondContact O-CD 3.48Å
580	I	68.8	Low	65.4	Low	66 Å²	66	71.3 Å²	71.3	34%	0.338	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.7	175.5	-61.4	172.6	0	0	0	108	Y558 F559 N561 S578	Y558-I580 WeakPolarHBondContact CA-O 3.45Å; F559-I580 PolarHBondContact N-O 3.37Å; F559-I580 PolarHBondContact O-N 2.85Å; N561-I580 HydrophobicContact CB-CD1 3.88Å; N561-I580 HydrophobicContact CB-CG1 4.13Å; S578-I580 PolarHBondContact O-N 2.87Å
581	P	76.9	Confident	67.6	Low	16 Å²	16	64.7 Å²	64.7	10%	0.104	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.1	175.4	32.7	-33.2	0	0	0	110.8	I440 R441 L556 T557 Y558 M579	I440-P581 HydrophobicContact CG2-CB 3.36Å; I440-P581 HydrophobicContact CG2-CG 3.25Å; I440-P581 WeakPolarHBondContact O-CG 2.98Å; R441-P581 HydrophobicContact CG-CG 4.06Å; L556-P581 HydrophobicContact CD1-CB 4.14Å; T557-P581 WeakPolarHBondContact O-CA 3.47Å; Y558-P581 HydrophobicContact CD1-CB 4.13Å; Y558-P581 HydrophobicContact CE1-CB 3.96Å; M579-P581 WeakPolarHBondContact O-CD 3.48Å
582	S	82.2	Confident	69.2	Low	41 Å²	41	64.4 Å²	64.4	29%	0.287	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.6	179.1	-62.7	0	0	0	0	110.3	T557	T557-S582 PolarHBondContact N-O 2.94Å; T557-S582 PolarHBondContact O-N 3.2Å
583	F	88.1	Confident	70.2	Confident	39 Å²	39	59 Å²	59	17%	0.171	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118	172.9	-78.6	-79.9	0	0	0	109.7	L490 F491 L554 M555 L556 L611	L490-F583 VanDerWaalsContact O-CZ 3.26Å; L490-F583 WeakPolarHBondContact O-CZ 3.26Å; F491-F583 HydrophobicContact CB-CE2 4.5Å; F491-F583 AromaticContact CD1-CD2 3.7Å; F491-F583 HydrophobicContact CD1-CD2 3.7Å; F491-F583 AromaticContact CD1-CE2 3.87Å; F491-F583 HydrophobicContact CD1-CE2 3.87Å; F491-F583 AromaticContact CE1-CD2 3.96Å; F491-F583 HydrophobicContact CE1-CD2 3.96Å; L554-F583 HydrophobicContact CD1-CB 4.01Å; L554-F583 HydrophobicContact CD1-CD1 4.14Å; L554-F583 HydrophobicContact CG-CD1 4.49Å; M555-F583 WeakPolarHBondContact O-CA 3.5Å; L556-F583 HydrophobicContact CB-CE1 4.34Å; L556-F583 HydrophobicContact CD1-CD1 4.42Å; L556-F583 HydrophobicContact CD1-CD2 4.36Å; L556-F583 HydrophobicContact CD1-CE1 4.2Å; L556-F583 HydrophobicContact CD1-CE2 4.12Å; L556-F583 HydrophobicContact CD1-CZ 4.04Å; F583-L611 HydrophobicContact CB-CD1 3.87Å
584	M	90.6	Very high	71	Confident	11 Å²	11	55 Å²	55	5%	0.054	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.8	-177.1	-55.1	-56.5	-77.5	0	0	110.6	M555 T557 F559 Y586 G603 G605	M555-M584 PolarHBondContact N-O 3.43Å; M555-M584 PolarHBondContact O-N 3.44Å; T557-M584 HydrophobicContact CG2-CG 4.42Å; F559-M584 HydrophobicContact CE2-CE 4.38Å; F559-M584 HydrophobicContact CE2-CG 3.69Å; F559-M584 HydrophobicContact CE2-SD 3.89Å; F559-M584 HydrophobicContact CZ-CE 3.85Å; F559-M584 HydrophobicContact CZ-CG 3.8Å; F559-M584 HydrophobicContact CZ-SD 3.96Å; M584-Y586 HydrophobicContact CB-CE2 3.85Å; M584-G603 WeakPolarHBondContact CE-O 3.48Å; M584-G605 VanDerWaalsContact CE-N 3.33Å
585	V	93	Very high	71.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.8	175	-179.1	0	0	0	0	109.4	I552 R553 L554 I604 F606 L611 L614 F650	I552-V585 HydrophobicContact CG2-CG1 4.05Å; R553-V585 CarbonylContact O-C 3.52Å; R553-V585 WeakPolarHBondContact O-CA 3.36Å; L554-V585 HydrophobicContact CD1-CG2 4.25Å; V585-I604 PolarHBondContact N-O 2.72Å; V585-I604 PolarHBondContact O-N 3.02Å; V585-F606 HydrophobicContact CB-CD2 3.9Å; V585-F606 HydrophobicContact CB-CE2 3.82Å; V585-F606 HydrophobicContact CG1-CE2 4.3Å; V585-F606 HydrophobicContact CG2-CD2 3.52Å; V585-F606 HydrophobicContact CG2-CE2 3.87Å; V585-L611 HydrophobicContact CG2-CD2 4.05Å; V585-L614 HydrophobicContact CB-CD2 4.22Å; V585-L614 HydrophobicContact CG1-CD2 3.69Å; V585-L614 HydrophobicContact CG2-CD2 3.42Å; V585-L614 VanDerWaalsContact CG2-CD2 3.42Å; V585-F650 HydrophobicContact CG1-CE2 3.82Å; V585-F650 HydrophobicContact CG1-CZ 4.08Å
586	Y	93.1	Very high	72	Confident	13 Å²	13	51.4 Å²	51.4	5%	0.051	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144.9	172.2	-64.9	-86.6	0	0	0	109.6	L507 M510 I552 R553 M555 T557 M584 A600 G603	L507-Y586 HydrophobicContact CD1-CD1 3.59Å; L507-Y586 HydrophobicContact CD1-CD2 4.06Å; L507-Y586 HydrophobicContact CD1-CE1 4.08Å; L507-Y586 HydrophobicContact CD1-CG 3.58Å; M510-Y586 WeakPolarHBondContact CE-O 3.26Å; I552-Y586 WeakPolarHBondContact CA-O 3.47Å; R553-Y586 PolarHBondContact N-O 2.85Å; R553-Y586 PolarHBondContact O-N 2.93Å; M555-Y586 HydrophobicContact CB-CD2 4.14Å; M555-Y586 HydrophobicContact CB-CE2 4.2Å; M555-Y586 HydrophobicContact CG-CD2 4.24Å; M555-Y586 HydrophobicContact SD-CD2 3.72Å; M555-Y586 HydrophobicContact SD-CE2 4.23Å; M555-Y586 HydrophobicContact SD-CG 4.45Å; T557-Y586 WeakPolarHBondContact CG2-OH 3.26Å; T557-Y586 WeakPolarHBondContact OG1-CE2 3.45Å; T557-Y586 PolarHBondContact OG1-OH 3.49Å; M584-Y586 HydrophobicContact CB-CE2 3.85Å; Y586-A600 WeakPolarHBondContact CD1-O 3.48Å; Y586-G603 VanDerWaalsContact CE1-CA 3.42Å
587	H	92.7	Very high	72.1	Confident	9 Å²	9	50.2 Å²	50.2	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.1	176.6	74.5	108.4	0	0	0	112.3	A551 I552 L589 N599 A600 F650	A551-H587 CarbonylContact O-C 3.56Å; A551-H587 WeakPolarHBondContact O-CA 3.44Å; I552-H587 HydrophobicContact CG1-CB 4.2Å; H587-L589 HydrophobicContact CB-CG 4.28Å; H587-N599 CarbonylContact O-C 3.58Å; H587-A600 PolarHBondContact O-N 3.33Å; H587-A600 VanDerWaalsContact O-N 3.13Å; H587-F650 HydrophobicContact CB-CE1 4.18Å; H587-F650 HydrophobicContact CB-CZ 4.49Å; H587-F650 AromaticContact CG-CE1 3.99Å
588	S	91	Very high	72.4	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	25%	0.249	C	C	.	.			trans	-102.8	8.3	176.3	60.7	0	0	0	0	113.6	M510 A515 A551 N590 N591	M510-S588 WeakPolarHBondContact O-CB 3.1Å; A515-S588 WeakPolarHBondContact CA-O 3.44Å; A551-S588 VanDerWaalsContact CA-OG 3.32Å; A551-S588 WeakPolarHBondContact CA-OG 3.36Å; A551-S588 WeakPolarHBondContact CB-OG 3.29Å; A551-S588 PolarHBondContact O-N 3.4Å; S588-N590 PolarHBondContact O-N 3.26Å; S588-N591 WeakPolarHBondContact CA-OD1 3.29Å; S588-N591 WeakPolarHBondContact CB-ND2 3.33Å; S588-N591 WeakPolarHBondContact O-CB 3.37Å; S588-N591 PolarHBondContact O-N 3.45Å
589	L	89	Confident	72.5	Confident	13 Å²	13	45 Å²	45	7%	0.068	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.2	-172.7	-55.7	-178.2	0	0	0	114.4	A515 P516 I547 A551 I552 H587 G649 F650	A515-L589 VanDerWaalsContact CB-O 3.28Å; A515-L589 WeakPolarHBondContact CB-O 3.29Å; P516-L589 HydrophobicContact CG-CD2 3.65Å; I547-L589 HydrophobicContact CG2-CD2 3.77Å; A551-L589 HydrophobicContact CB-CD2 3.95Å; I552-L589 HydrophobicContact CD1-CD1 4.22Å; I552-L589 HydrophobicContact CD1-CD2 4.44Å; I552-L589 HydrophobicContact CG1-CD1 4.39Å; I552-L589 HydrophobicContact CG1-CD2 4.3Å; I552-L589 HydrophobicContact CG1-CG 4.39Å; H587-L589 HydrophobicContact CB-CG 4.28Å; L589-G649 WeakPolarHBondContact CD1-O 2.99Å; L589-F650 HydrophobicContact CD1-CD1 3.59Å; L589-F650 HydrophobicContact CD1-CE1 3.99Å
590	N	84.4	Confident	72.2	Confident	45 Å²	45	41.5 Å²	41.5	24%	0.241	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	13	-178	-61.5	-6.7	0	0	0	112.6	S588 Q592	S588-N590 PolarHBondContact O-N 3.26Å; N590-Q592 PolarHBondContact O-N 2.92Å
591	N	83.6	Confident	72	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.043	23%	0.227	C	C	.	.			trans	-65.1	111.3	-177.5	-77.8	13.9	0	0	0	111.3	M510 S513 A515 S588 G593 S598 N599	M510-N591 PolarHBondContact O-ND2 3.36Å; S513-N591 WeakPolarHBondContact O-CB 3.21Å; S513-N591 PolarHBondContact O-ND2 2.87Å; A515-N591 PolarHBondContact N-O 3.47Å; S588-N591 WeakPolarHBondContact CA-OD1 3.29Å; S588-N591 WeakPolarHBondContact CB-ND2 3.33Å; S588-N591 WeakPolarHBondContact O-CB 3.37Å; S588-N591 PolarHBondContact O-N 3.45Å; N591-G593 PolarHBondContact O-N 2.85Å; N591-S598 WeakPolarHBondContact OD1-CB 3.32Å; N591-N599 PolarHBondContact OD1-N 3.01Å
592	Q	67.9	Low	72	Confident	149 Å²	149	45.6 Å²	45.6	70%	0.696	25%	0.252	S	S	*	.			trans	-67.2	118	168.1	-61.3	-61.2	-24.2	0	0	108.5	N590 N594 N595	N590-Q592 PolarHBondContact O-N 2.92Å; Q592-N594 PolarHBondContact O-N 3.29Å; Q592-N595 PolarHBondContact O-N 3.22Å
593	G	57.6	Low	72.1	Confident	17 Å²	17	44.4 Å²	44.4	18%	0.175	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	2.6	-168.5	0	0	0	0	0	116.5	N246 T249 N591	N246-G593 PolarHBondContact ND2-O 2.91Å; T249-G593 WeakPolarHBondContact OG1-CA 3.31Å; T249-G593 PolarHBondContact OG1-O 3.48Å; N591-G593 PolarHBondContact O-N 2.85Å
594	N	50	Low	72.1	Confident	48 Å²	48	44.3 Å²	44.3	26%	0.257	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	6.5	-176	-68.1	-16.8	0	0	0	114.7	Q206 H207 T249 F250 Q592	Q206-N594 PolarHBondContact NE2-O 3.29Å; H207-N594 VanDerWaalsContact NE2-CG 3.25Å; H207-N594 PolarHBondContact NE2-ND2 3.36Å; T249-N594 WeakPolarHBondContact CB-OD1 3.36Å; T249-N594 VanDerWaalsContact CG2-OD1 3.26Å; T249-N594 WeakPolarHBondContact CG2-OD1 3.38Å; T249-N594 PolarHBondContact OG1-OD1 3.31Å; F250-N594 WeakPolarHBondContact CZ-ND2 3.48Å; Q592-N594 PolarHBondContact O-N 3.29Å
595	N	49.4	Very low	72	Confident	112 Å²	112	44.3 Å²	44.3	60%	0.599	25%	0.249	S	C	*	.			trans	-144.2	154	-174.4	-98.4	-29.8	0	0	0	116.6	Q592 D597	Q592-N595 PolarHBondContact O-N 3.22Å; N595-D597 PolarHBondContact O-N 2.87Å
596	T	43.9	Very low	71.9	Confident	114 Å²	114	46 Å²	46	70%	0.699	26%	0.257	S	S	*	.	S	Bend	trans	-62.5	-18.1	178.3	46.3	0	0	0	0	114.8	S598 N601	T596-S598 PolarHBondContact O-N 3.17Å; T596-N601 PolarHBondContact O-ND2 2.89Å
597	D	45.9	Very low	71.8	Confident	102 Å²	102	51 Å²	51	55%	0.545	28%	0.28	S	S	.	.			trans	-81.1	49.4	-176	-67.2	10.7	0	0	0	111.6	N595 R708	N595-D597 PolarHBondContact O-N 2.87Å; D597-R708 IonicContact OD2-NH2 2.78Å; D597-R708 PolarHBondContact OD2-NH2 2.9Å
598	S	53.7	Low	71.6	Confident	8 Å²	8	56.3 Å²	56.3	6%	0.056	30%	0.303	C	S	.	.			trans	-70	141.1	175	81.2	0	0	0	0	111.2	N591 T596 A600 N601	N591-S598 WeakPolarHBondContact OD1-CB 3.32Å; T596-S598 PolarHBondContact O-N 3.17Å; S598-A600 PolarHBondContact O-N 3Å; S598-N601 PolarHBondContact N-ND2 3.46Å; S598-N601 VanDerWaalsContact O-CB 3.29Å; S598-N601 WeakPolarHBondContact O-CB 3.44Å; S598-N601 PolarHBondContact O-N 2.89Å; S598-N601 PolarHBondContact O-ND2 3.49Å; S598-N601 VanDerWaalsContact OG-CG 3.32Å; S598-N601 PolarHBondContact OG-N 3.22Å; S598-N601 PolarHBondContact OG-ND2 3.46Å
599	N	55.9	Low	71.6	Confident	59 Å²	59	59.9 Å²	59.9	32%	0.316	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.9	-22	169	-86.4	26.1	0	0	0	111.4	H587 N591 N601 V602	H587-N599 CarbonylContact O-C 3.58Å; N591-N599 PolarHBondContact OD1-N 3.01Å; N599-N601 PolarHBondContact O-N 3.38Å; N599-V602 CarbonylContact O-C 3.49Å; N599-V602 PolarHBondContact O-N 3.25Å
600	A	57.7	Low	71.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-64.4	-1.9	170	0	0	0	0	0	114.1	L507 M510 R511 Y586 H587 S598	L507-A600 WeakPolarHBondContact CD1-O 3.37Å; M510-A600 HydrophobicContact CB-CB 4Å; R511-A600 HydrophobicContact CB-CB 4.49Å; R511-A600 HydrophobicContact CG-CB 3.75Å; R511-A600 WeakPolarHBondContact CG-O 3.47Å; R511-A600 PolarHBondContact NE-O 3.47Å; Y586-A600 WeakPolarHBondContact CD1-O 3.48Å; H587-A600 PolarHBondContact O-N 3.33Å; H587-A600 VanDerWaalsContact O-N 3.13Å; S598-A600 PolarHBondContact O-N 3Å
601	N	65.6	Low	72.3	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-81.5	-30.5	165.4	-63.9	-49.1	0	0	0	113.2	R511 T596 S598 N599	R511-N601 VanDerWaalsContact CD-OD1 3.32Å; R511-N601 WeakPolarHBondContact CD-OD1 3.39Å; R511-N601 PolarHBondContact NE-OD1 3.01Å; T596-N601 PolarHBondContact O-ND2 2.89Å; S598-N601 PolarHBondContact N-ND2 3.46Å; S598-N601 VanDerWaalsContact O-CB 3.29Å; S598-N601 WeakPolarHBondContact O-CB 3.44Å; S598-N601 PolarHBondContact O-N 2.89Å; S598-N601 PolarHBondContact O-ND2 3.49Å; S598-N601 VanDerWaalsContact OG-CG 3.32Å; S598-N601 PolarHBondContact OG-N 3.22Å; S598-N601 PolarHBondContact OG-ND2 3.46Å; N599-N601 PolarHBondContact O-N 3.38Å
602	V	76.7	Confident	72.8	Confident	104 Å²	104	59.8 Å²	59.8	63%	0.63	32%	0.316	S	S	*	.	S	Bend	trans	-111.1	115.9	-174.1	-174.2	0	0	0	0	109.2	N599	N599-V602 CarbonylContact O-C 3.49Å; N599-V602 PolarHBondContact O-N 3.25Å
603	G	84.2	Confident	74.1	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.2	142.3	174.9	0	0	0	0	0	110.4	M584 Y586	M584-G603 WeakPolarHBondContact CE-O 3.48Å; Y586-G603 VanDerWaalsContact CE1-CA 3.42Å
604	I	89.1	Confident	75.9	Confident	37 Å²	37	52 Å²	52	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125	172.9	-55.9	175	0	0	0	108.6	V585 F606 F650	V585-I604 PolarHBondContact N-O 2.72Å; V585-I604 PolarHBondContact O-N 3.02Å; I604-F606 HydrophobicContact CB-CD2 4.31Å; I604-F606 HydrophobicContact CB-CE2 3.81Å; I604-F606 HydrophobicContact CG2-CD2 3.91Å; I604-F606 HydrophobicContact CG2-CE2 3.42Å; I604-F606 VanDerWaalsContact CG2-CE2 3.42Å; I604-F606 HydrophobicContact CG2-CZ 3.79Å; I604-F650 HydrophobicContact CD1-CZ 4.41Å
605	G	88.3	Confident	78	Confident	10 Å²	10	50.2 Å²	50.2	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	140.6	170.5	0	0	0	0	0	110.7	M584	M584-G605 VanDerWaalsContact CE-N 3.33Å
606	F	90.4	Very high	80.2	Confident	36 Å²	36	46 Å²	46	16%	0.158	24%	0.243	C	C	.	.			trans	-138.8	145.6	-179.3	-83.8	-78.2	0	0	0	111.4	V585 I604 F610 L611 F645 L648 F650	V585-F606 HydrophobicContact CB-CD2 3.9Å; V585-F606 HydrophobicContact CB-CE2 3.82Å; V585-F606 HydrophobicContact CG1-CE2 4.3Å; V585-F606 HydrophobicContact CG2-CD2 3.52Å; V585-F606 HydrophobicContact CG2-CE2 3.87Å; I604-F606 HydrophobicContact CB-CD2 4.31Å; I604-F606 HydrophobicContact CB-CE2 3.81Å; I604-F606 HydrophobicContact CG2-CD2 3.91Å; I604-F606 HydrophobicContact CG2-CE2 3.42Å; I604-F606 VanDerWaalsContact CG2-CE2 3.42Å; I604-F606 HydrophobicContact CG2-CZ 3.79Å; F606-F610 HydrophobicContact CB-CB 3.99Å; F606-F610 HydrophobicContact CD1-CB 3.76Å; F606-F610 HydrophobicContact CD1-CD1 4.07Å; F606-F610 HydrophobicContact CD1-CD2 4.46Å; F606-F610 AromaticContact CD1-CG 3.86Å; F606-F610 HydrophobicContact CD1-CG 3.86Å; F606-F610 HydrophobicContact CE1-CD1 4.31Å; F606-F610 HydrophobicContact CG-CB 4.12Å; F606-L611 HydrophobicContact CB-CD2 3.73Å; F606-L611 HydrophobicContact CB-CG 4.03Å; F606-L611 WeakPolarHBondContact O-CD1 3.03Å; F606-F645 HydrophobicContact CE1-CE1 4.19Å; F606-F645 HydrophobicContact CZ-CE1 4.37Å; F606-L648 HydrophobicContact CE1-CD1 3.99Å; F606-L648 HydrophobicContact CZ-CD1 3.58Å; F606-F650 HydrophobicContact CE2-CE2 4.15Å; F606-F650 HydrophobicContact CZ-CE2 4.08Å
607	H	90	Very high	82.7	Confident	117 Å²	117	40.7 Å²	40.7	54%	0.542	21%	0.211	S	C	.	.			trans	-61.7	150.4	170.6	-179.3	-113.8	0	0	0	111.9	K609 F610 L611	H607-K609 PolarHBondContact O-N 2.71Å; H607-F610 HydrophobicContact CB-CD2 4.06Å; H607-F610 HydrophobicContact CB-CE2 4.4Å; H607-F610 WeakPolarHBondContact O-CB 3.38Å; H607-F610 PolarHBondContact O-N 2.73Å; H607-L611 PolarHBondContact O-N 3.06Å
608	K	88.8	Confident	85	Confident	122 Å²	122	38.1 Å²	38.1	53%	0.53	20%	0.197	S	C	.	.	H	α-helix	trans	-46.3	-40.9	-173.2	172	164.9	-178.5	-170.8	0	114.4	F491 F610 L611 I612	F491-K608 HydrophobicContact CD2-CD 4.32Å; F491-K608 HydrophobicContact CD2-CG 4.49Å; F491-K608 HydrophobicContact CE2-CB 4.46Å; F491-K608 HydrophobicContact CE2-CD 3.87Å; F491-K608 HydrophobicContact CE2-CG 3.58Å; F491-K608 HydrophobicContact CZ-CB 4.09Å; F491-K608 HydrophobicContact CZ-CD 4.28Å; F491-K608 HydrophobicContact CZ-CG 3.71Å; K608-F610 PolarHBondContact O-N 3.27Å; K608-L611 PolarHBondContact O-N 3.42Å; K608-I612 HydrophobicContact CD-CD1 4.49Å; K608-I612 HydrophobicContact CG-CD1 3.77Å; K608-I612 WeakPolarHBondContact O-CG1 3.33Å; K608-I612 PolarHBondContact O-N 3.03Å; K608-I612 VanDerWaalsContact O-N 3.08Å
609	K	92.4	Very high	86.9	Confident	75 Å²	75	44 Å²	44	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-59.1	-45.9	179.1	-62.9	-177	-174.1	-176.6	0	112.3	H607 I612 A613 L632 D637	H607-K609 PolarHBondContact O-N 2.71Å; K609-I612 PolarHBondContact O-N 3.04Å; K609-A613 PolarHBondContact O-N 2.87Å; K609-A613 VanDerWaalsContact O-N 3.09Å; K609-L632 HydrophobicContact CB-CD1 4.49Å; K609-L632 HydrophobicContact CB-CD2 4.08Å; K609-L632 WeakPolarHBondContact O-CD2 3.43Å; K609-D637 HydrophobicContact CD-CB 4.26Å; K609-D637 WeakPolarHBondContact CE-OD2 3.31Å; K609-D637 IonicContact NZ-OD1 3.29Å; K609-D637 PolarHBondContact NZ-OD1 3.14Å; K609-D637 IonicContact NZ-OD2 3.01Å; K609-D637 PolarHBondContact NZ-OD2 3.09Å
610	F	94.7	Very high	88.8	Confident	35 Å²	35	45.2 Å²	45.2	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-43.5	178.4	-64.6	-96.7	0	0	0	111.4	F606 H607 K608 I612 A613 L614 V641 T644 F645	F606-F610 HydrophobicContact CB-CB 3.99Å; F606-F610 HydrophobicContact CD1-CB 3.76Å; F606-F610 HydrophobicContact CD1-CD1 4.07Å; F606-F610 HydrophobicContact CD1-CD2 4.46Å; F606-F610 AromaticContact CD1-CG 3.86Å; F606-F610 HydrophobicContact CD1-CG 3.86Å; F606-F610 HydrophobicContact CE1-CD1 4.31Å; F606-F610 HydrophobicContact CG-CB 4.12Å; H607-F610 HydrophobicContact CB-CD2 4.06Å; H607-F610 HydrophobicContact CB-CE2 4.4Å; H607-F610 WeakPolarHBondContact O-CB 3.38Å; H607-F610 PolarHBondContact O-N 2.73Å; K608-F610 PolarHBondContact O-N 3.27Å; F610-I612 VanDerWaalsContact C-N 3.31Å; F610-I612 PolarHBondContact O-N 3.38Å; F610-A613 PolarHBondContact O-N 2.8Å; F610-L614 WeakPolarHBondContact O-CB 3.02Å; F610-L614 PolarHBondContact O-N 3.02Å; F610-V641 HydrophobicContact CD1-CB 4.12Å; F610-V641 HydrophobicContact CD1-CG1 3.84Å; F610-V641 HydrophobicContact CD1-CG2 3.74Å; F610-V641 HydrophobicContact CD2-CG2 4.29Å; F610-V641 HydrophobicContact CE1-CB 4.18Å; F610-V641 HydrophobicContact CE1-CG1 4.37Å; F610-V641 HydrophobicContact CE1-CG2 3.77Å; F610-V641 HydrophobicContact CE2-CG2 4.33Å; F610-V641 HydrophobicContact CG-CG1 4.41Å; F610-V641 HydrophobicContact CG-CG2 3.99Å; F610-V641 HydrophobicContact CZ-CG2 4.08Å; F610-T644 HydrophobicContact CE1-CG2 3.91Å; F610-F645 HydrophobicContact CB-CE1 4.22Å; F610-F645 HydrophobicContact CB-CZ 3.95Å; F610-F645 AromaticContact CD1-CE1 3.91Å; F610-F645 HydrophobicContact CD1-CE1 3.91Å; F610-F645 HydrophobicContact CD1-CZ 4.16Å; F610-F645 WeakPolarHBondContact O-CZ 3.11Å
611	L	93.4	Very high	90.6	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-41.6	178.2	-60.8	177.9	0	0	0	111.9	L490 F491 L554 F583 V585 F606 H607 K608 S615	L490-L611 HydrophobicContact CD2-CB 4.35Å; F491-L611 HydrophobicContact CE1-CD1 3.67Å; F491-L611 HydrophobicContact CZ-CB 4.08Å; F491-L611 HydrophobicContact CZ-CD1 3.8Å; L554-L611 HydrophobicContact CD1-CD2 3.69Å; F583-L611 HydrophobicContact CB-CD1 3.87Å; V585-L611 HydrophobicContact CG2-CD2 4.05Å; F606-L611 HydrophobicContact CB-CD2 3.73Å; F606-L611 HydrophobicContact CB-CG 4.03Å; F606-L611 WeakPolarHBondContact O-CD1 3.03Å; H607-L611 PolarHBondContact O-N 3.06Å; K608-L611 PolarHBondContact O-N 3.42Å; L611-S615 VanDerWaalsContact O-CB 3.23Å; L611-S615 WeakPolarHBondContact O-CB 3.18Å; L611-S615 PolarHBondContact O-N 3.08Å
612	I	92.8	Very high	92	Very high	22 Å²	22	44.7 Å²	44.7	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-49.8	175.6	-73.1	167.4	0	0	0	111.4	Y487 L490 F491 K608 K609 F610 S615 H616 P631 L632	Y487-I612 HydrophobicContact CD1-CG2 4.31Å; Y487-I612 HydrophobicContact CG-CG2 4.13Å; L490-I612 HydrophobicContact CD2-CB 4.37Å; L490-I612 HydrophobicContact CD2-CG1 3.78Å; F491-I612 HydrophobicContact CE2-CD1 4.35Å; F491-I612 HydrophobicContact CE2-CG1 4.19Å; K608-I612 HydrophobicContact CD-CD1 4.49Å; K608-I612 HydrophobicContact CG-CD1 3.77Å; K608-I612 WeakPolarHBondContact O-CG1 3.33Å; K608-I612 PolarHBondContact O-N 3.03Å; K608-I612 VanDerWaalsContact O-N 3.08Å; K609-I612 PolarHBondContact O-N 3.04Å; F610-I612 VanDerWaalsContact C-N 3.31Å; F610-I612 PolarHBondContact O-N 3.38Å; I612-S615 PolarHBondContact O-N 2.86Å; I612-H616 PolarHBondContact O-N 3.37Å; I612-P631 HydrophobicContact CG2-CB 4.49Å; I612-P631 HydrophobicContact CG2-CG 3.74Å; I612-P631 WeakPolarHBondContact CG2-O 3.46Å; I612-L632 HydrophobicContact CB-CD2 4.2Å; I612-L632 HydrophobicContact CG2-CD2 3.86Å
613	A	95.5	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-43.4	178	0	0	0	0	0	113.1	K609 F610 S615 H616 L617 L630 L632 V641 F645	K609-A613 PolarHBondContact O-N 2.87Å; K609-A613 VanDerWaalsContact O-N 3.09Å; F610-A613 PolarHBondContact O-N 2.8Å; A613-S615 VanDerWaalsContact C-N 3.34Å; A613-S615 PolarHBondContact O-N 3.2Å; A613-H616 WeakPolarHBondContact O-CB 3.27Å; A613-H616 PolarHBondContact O-N 3.04Å; A613-H616 VanDerWaalsContact O-N 3.14Å; A613-L617 WeakPolarHBondContact O-CG 3.27Å; A613-L617 PolarHBondContact O-N 3.35Å; A613-L630 HydrophobicContact CB-CD1 4.34Å; A613-L630 HydrophobicContact CB-CD2 4.16Å; A613-L632 HydrophobicContact CB-CD1 4.34Å; A613-V641 HydrophobicContact CB-CG1 3.53Å; A613-F645 HydrophobicContact CB-CE2 4.16Å
614	L	95.7	Very high	93.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-42.1	176.7	-179.7	59.6	0	0	0	111.1	L546 I552 L554 V585 F610 H616 L617 I618 F645	L546-L614 HydrophobicContact CD1-CD1 3.73Å; I552-L614 HydrophobicContact CG2-CD1 4.18Å; I552-L614 HydrophobicContact CG2-CD2 4.49Å; L554-L614 HydrophobicContact CB-CD2 4.41Å; V585-L614 HydrophobicContact CB-CD2 4.22Å; V585-L614 HydrophobicContact CG1-CD2 3.69Å; V585-L614 HydrophobicContact CG2-CD2 3.42Å; V585-L614 VanDerWaalsContact CG2-CD2 3.42Å; F610-L614 WeakPolarHBondContact O-CB 3.02Å; F610-L614 PolarHBondContact O-N 3.02Å; L614-H616 PolarHBondContact O-N 3.4Å; L614-L617 PolarHBondContact O-N 3.36Å; L614-I618 HydrophobicContact CD1-CD1 4.18Å; L614-I618 HydrophobicContact CD1-CG1 4.27Å; L614-I618 HydrophobicContact CG-CD1 3.91Å; L614-I618 HydrophobicContact CG-CG1 4.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.25Å; L614-I618 PolarHBondContact O-N 2.76Å; L614-F645 HydrophobicContact CB-CE2 3.94Å; L614-F645 HydrophobicContact CB-CZ 3.75Å
615	S	93.6	Very high	93.8	Very high	11 Å²	11	44.3 Å²	44.3	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-32.6	175.1	-161.7	0	0	0	0	112.2	L490 L611 I612 A613 R619	L490-S615 WeakPolarHBondContact CD1-OG 3.32Å; L611-S615 VanDerWaalsContact O-CB 3.23Å; L611-S615 WeakPolarHBondContact O-CB 3.18Å; L611-S615 PolarHBondContact O-N 3.08Å; I612-S615 PolarHBondContact O-N 2.86Å; A613-S615 VanDerWaalsContact C-N 3.34Å; A613-S615 PolarHBondContact O-N 3.2Å; S615-R619 WeakPolarHBondContact O-CG 3.42Å; S615-R619 PolarHBondContact O-N 3.01Å; S615-R619 PolarHBondContact O-NH1 2.85Å; S615-R619 PolarHBondContact OG-NH1 3.17Å
616	H	95.2	Very high	94.2	Very high	23 Å²	23	45.2 Å²	45.2	11%	0.106	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-46.8	171.8	-165.6	119.9	0	0	0	111.7	Y487 I612 A613 L614 I618 R619 K620 P631	Y487-H616 HydrophobicContact CE1-CB 3.82Å; Y487-H616 HydrophobicContact CE2-CB 4.43Å; Y487-H616 AromaticContact CE2-ND1 3.47Å; Y487-H616 WeakPolarHBondContact CE2-ND1 3.49Å; Y487-H616 AromaticContact CZ-CG 3.75Å; Y487-H616 AromaticContact CZ-ND1 3.4Å; Y487-H616 VanDerWaalsContact OH-CA 3.31Å; Y487-H616 WeakPolarHBondContact OH-CA 3.24Å; Y487-H616 WeakPolarHBondContact OH-CB 3.34Å; Y487-H616 VanDerWaalsContact OH-CG 3.23Å; Y487-H616 PolarHBondContact OH-ND1 2.9Å; I612-H616 PolarHBondContact O-N 3.37Å; A613-H616 WeakPolarHBondContact O-CB 3.27Å; A613-H616 PolarHBondContact O-N 3.04Å; A613-H616 VanDerWaalsContact O-N 3.14Å; L614-H616 PolarHBondContact O-N 3.4Å; H616-I618 VanDerWaalsContact C-N 3.35Å; H616-I618 PolarHBondContact O-N 3.27Å; H616-R619 PolarHBondContact O-N 3.28Å; H616-K620 WeakPolarHBondContact CD2-CG 3.42Å; H616-K620 VanDerWaalsContact NE2-CE 3.3Å; H616-K620 WeakPolarHBondContact NE2-CE 3.28Å; H616-K620 WeakPolarHBondContact NE2-CG 3.32Å; H616-K620 WeakPolarHBondContact O-CG 3.22Å; H616-K620 PolarHBondContact O-N 2.78Å; H616-P631 HydrophobicContact CB-CG 3.81Å; H616-P631 WeakPolarHBondContact ND1-CD 3.41Å; H616-P631 WeakPolarHBondContact ND1-CG 3.45Å
617	L	96.7	Very high	94.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-43.2	177.7	-74.2	164.7	0	0	0	112	I544 L546 A613 L614 K620 Y621 I625 L630 F645 I651	I544-L617 HydrophobicContact CD1-CD1 4.43Å; I544-L617 HydrophobicContact CD1-CD2 4.06Å; I544-L617 HydrophobicContact CG1-CD2 4.22Å; L546-L617 HydrophobicContact CB-CB 4.44Å; A613-L617 WeakPolarHBondContact O-CG 3.27Å; A613-L617 PolarHBondContact O-N 3.35Å; L614-L617 PolarHBondContact O-N 3.36Å; L617-K620 PolarHBondContact O-N 2.88Å; L617-Y621 PolarHBondContact O-N 2.89Å; L617-I625 HydrophobicContact CD2-CD1 3.75Å; L617-I625 HydrophobicContact CD2-CG1 4.05Å; L617-I625 HydrophobicContact CG-CD1 4.46Å; L617-L630 HydrophobicContact CD1-CD2 4.44Å; L617-L630 HydrophobicContact CD2-CD2 4.43Å; L617-L630 HydrophobicContact CG-CD2 4.13Å; L617-F645 HydrophobicContact CD1-CD2 3.82Å; L617-F645 HydrophobicContact CD1-CE2 4.08Å; L617-I651 HydrophobicContact CD1-CG2 3.92Å
618	I	94.8	Very high	94.8	Very high	48 Å²	48	44.1 Å²	44.1	25%	0.246	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-45.7	174.5	-69.3	167.7	0	0	0	110.8	L546 L554 L614 H616 K620	L546-I618 HydrophobicContact CD2-CG1 3.94Å; L554-I618 HydrophobicContact CB-CD1 4.03Å; L614-I618 HydrophobicContact CD1-CD1 4.18Å; L614-I618 HydrophobicContact CD1-CG1 4.27Å; L614-I618 HydrophobicContact CG-CD1 3.91Å; L614-I618 HydrophobicContact CG-CG1 4.43Å; L614-I618 WeakPolarHBondContact O-CG1 3.25Å; L614-I618 PolarHBondContact O-N 2.76Å; H616-I618 VanDerWaalsContact C-N 3.35Å; H616-I618 PolarHBondContact O-N 3.27Å; I618-K620 PolarHBondContact O-N 3.29Å
619	R	93.3	Very high	95.2	Very high	132 Å²	132	41.2 Å²	41.2	50%	0.498	19%	0.192	S	C	.	.	H	α-helix	trans	-69	-27.1	178.5	-75.7	-169.5	-172.4	85.3	-5.4	114.4	S615 H616	S615-R619 WeakPolarHBondContact O-CG 3.42Å; S615-R619 PolarHBondContact O-N 3.01Å; S615-R619 PolarHBondContact O-NH1 2.85Å; S615-R619 PolarHBondContact OG-NH1 3.17Å; H616-R619 PolarHBondContact O-N 3.28Å
620	K	95.3	Very high	95.4	Very high	84 Å²	84	37.9 Å²	37.9	37%	0.365	18%	0.178	S	C	.	.	H	α-helix	trans	-93.5	-12.3	-179.6	-65.9	-61.1	-175.7	178.9	0	113.9	H616 L617 I618 M623 I625	H616-K620 WeakPolarHBondContact CD2-CG 3.42Å; H616-K620 VanDerWaalsContact NE2-CE 3.3Å; H616-K620 WeakPolarHBondContact NE2-CE 3.28Å; H616-K620 WeakPolarHBondContact NE2-CG 3.32Å; H616-K620 WeakPolarHBondContact O-CG 3.22Å; H616-K620 PolarHBondContact O-N 2.78Å; L617-K620 PolarHBondContact O-N 2.88Å; I618-K620 PolarHBondContact O-N 3.29Å; K620-M623 HydrophobicContact CB-CE 4.48Å; K620-M623 HydrophobicContact CD-CE 3.94Å; K620-M623 VanDerWaalsContact O-CB 3.23Å; K620-M623 WeakPolarHBondContact O-CB 3.33Å; K620-M623 WeakPolarHBondContact O-CG 3.35Å; K620-M623 PolarHBondContact O-N 2.94Å; K620-I625 HydrophobicContact CB-CG2 4.01Å; K620-I625 HydrophobicContact CG-CG2 4.18Å
621	Y	96.1	Very high	95.4	Very high	27 Å²	27	38.1 Å²	38.1	11%	0.106	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139.4	178.3	179.8	-91.8	0	0	0	112.1	P145 L146 E263 R545 L546 S549 L617	P145-Y621 HydrophobicContact CG-CE2 4.42Å; P145-Y621 WeakPolarHBondContact CG-OH 3.27Å; L146-Y621 HydrophobicContact CD1-CE1 4.27Å; L146-Y621 HydrophobicContact CG-CE1 4.25Å; E263-Y621 WeakPolarHBondContact CG-OH 3.34Å; E263-Y621 WeakPolarHBondContact OE1-CE1 3.37Å; E263-Y621 PolarHBondContact OE1-OH 3.42Å; R545-Y621 HydrophobicContact CG-CD2 4.26Å; L546-Y621 HydrophobicContact CB-CD2 4Å; L546-Y621 WeakPolarHBondContact O-CD2 3.49Å; L546-Y621 VanDerWaalsContact O-CE2 3.23Å; L546-Y621 WeakPolarHBondContact O-CE2 3.42Å; S549-Y621 PolarHBondContact N-OH 3.5Å; S549-Y621 WeakPolarHBondContact OG-CE1 3.42Å; L617-Y621 PolarHBondContact O-N 2.89Å
622	P	95.2	Very high	95.5	Very high	26 Å²	26	39.1 Å²	39.1	17%	0.169	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96	36	2.6	40.4	-38.7	0	0	0	113.3	N144 L146 R545	N144-P622 WeakPolarHBondContact ND2-CG 3.33Å; N144-P622 WeakPolarHBondContact OD1-CG 3.36Å; L146-P622 HydrophobicContact CD1-CG 3.93Å; L146-P622 HydrophobicContact CG-CG 4.39Å; R545-P622 VanDerWaalsContact CD-C 3.48Å; R545-P622 WeakPolarHBondContact CD-O 3.28Å
623	M	94.9	Very high	95.4	Very high	110 Å²	110	47.2 Å²	47.2	54%	0.542	23%	0.226	S	C	.	.	S	Bend	trans	-82.3	143.9	176.4	-55.8	-165.2	-59.5	0	0	111.9	K620	K620-M623 HydrophobicContact CB-CE 4.48Å; K620-M623 HydrophobicContact CD-CE 3.94Å; K620-M623 VanDerWaalsContact O-CB 3.23Å; K620-M623 WeakPolarHBondContact O-CB 3.33Å; K620-M623 WeakPolarHBondContact O-CG 3.35Å; K620-M623 PolarHBondContact O-N 2.94Å
624	F	96.4	Very high	95.3	Very high	26 Å²	26	53.2 Å²	53.2	11%	0.114	25%	0.252	C	S	.	.			trans	-78.1	128.4	164.2	-74.7	-84.2	0	0	0	109.6	T140 L143 K543 I544 R545 I652 T653 E654	T140-F624 HydrophobicContact CG2-CD2 4.12Å; L143-F624 HydrophobicContact CB-CE2 4.09Å; L143-F624 HydrophobicContact CB-CZ 4.39Å; L143-F624 HydrophobicContact CD1-CE2 4.43Å; L143-F624 HydrophobicContact CD1-CZ 4.3Å; K543-F624 HydrophobicContact CB-CB 4.22Å; I544-F624 WeakPolarHBondContact O-CA 3.41Å; R545-F624 HydrophobicContact CB-CD1 3.5Å; R545-F624 VanDerWaalsContact CB-CD1 3.5Å; R545-F624 HydrophobicContact CB-CD2 4.35Å; R545-F624 HydrophobicContact CB-CE1 3.52Å; R545-F624 HydrophobicContact CB-CE2 4.38Å; R545-F624 HydrophobicContact CB-CG 3.93Å; R545-F624 HydrophobicContact CB-CZ 3.99Å; F624-I652 HydrophobicContact CE1-CD1 4.48Å; F624-I652 HydrophobicContact CE1-CG1 4.04Å; F624-I652 HydrophobicContact CZ-CD1 4.11Å; F624-I652 HydrophobicContact CZ-CG1 4.17Å; F624-T653 VanDerWaalsContact CE1-C 3.45Å; F624-E654 HydrophobicContact CB-CB 4.26Å; F624-E654 HydrophobicContact CB-CG 4.38Å; F624-E654 HydrophobicContact CD1-CB 3.68Å; F624-E654 HydrophobicContact CD1-CG 4.34Å; F624-E654 HydrophobicContact CD2-CG 4.31Å; F624-E654 HydrophobicContact CE1-CB 4.12Å; F624-E654 HydrophobicContact CG-CB 3.91Å; F624-E654 HydrophobicContact CG-CG 4.1Å
625	I	96.4	Very high	95.3	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.5	178.6	63.8	175.7	0	0	0	110.6	K543 I544 L617 K620 L630	K543-I625 CarbonylContact C-O 3.56Å; K543-I625 VanDerWaalsContact CA-O 3.22Å; K543-I625 WeakPolarHBondContact CA-O 3.42Å; I544-I625 HydrophobicContact CG1-CG1 4.42Å; I544-I625 PolarHBondContact N-O 2.75Å; I544-I625 PolarHBondContact O-N 2.85Å; L617-I625 HydrophobicContact CD2-CD1 3.75Å; L617-I625 HydrophobicContact CD2-CG1 4.05Å; L617-I625 HydrophobicContact CG-CD1 4.46Å; K620-I625 HydrophobicContact CB-CG2 4.01Å; K620-I625 HydrophobicContact CG-CG2 4.18Å; I625-L630 HydrophobicContact CD1-CD2 4.03Å
626	P	97.1	Very high	95.3	Very high	29 Å²	29	61.8 Å²	61.8	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.8	172	-21.1	32.5	0	0	0	111.3	K543 R628 C629	K543-P626 HydrophobicContact CG-CB 4.33Å; K543-P626 HydrophobicContact CG-CG 3.98Å; P626-R628 VanDerWaalsContact C-N 3.28Å; P626-R628 HydrophobicContact CB-CG 3.92Å; P626-R628 PolarHBondContact O-N 3.24Å; P626-C629 WeakPolarHBondContact O-CA 3.38Å; P626-C629 WeakPolarHBondContact O-CB 3.33Å; P626-C629 PolarHBondContact O-N 2.91Å
627	I	97.5	Very high	95.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-56.9	-40.1	178.2	-76	170	0	0	0	111.8	L538 T539 S542 I544 C629 L630 C638 L639 A642	L538-I627 HydrophobicContact CB-CD1 4.29Å; L538-I627 HydrophobicContact CD2-CD1 4.21Å; T539-I627 WeakPolarHBondContact O-CD1 3.11Å; S542-I627 WeakPolarHBondContact O-CG1 3.36Å; S542-I627 PolarHBondContact O-N 2.59Å; I544-I627 HydrophobicContact CD1-CG1 3.88Å; I544-I627 HydrophobicContact CG1-CG1 3.99Å; I544-I627 HydrophobicContact CG2-CD1 4.01Å; I544-I627 HydrophobicContact CG2-CG1 4.01Å; I627-C629 PolarHBondContact O-N 2.94Å; I627-L630 WeakPolarHBondContact O-CB 3.39Å; I627-L630 WeakPolarHBondContact O-CG 3.3Å; I627-L630 PolarHBondContact O-N 3.1Å; I627-C638 HydrophobicContact CG2-CB 3.9Å; I627-C638 WeakPolarHBondContact CG2-O 3.16Å; I627-C638 WeakPolarHBondContact O-CB 3.35Å; I627-L639 HydrophobicContact CD1-CD1 4.49Å; I627-A642 HydrophobicContact CD1-CB 3.45Å; I627-A642 VanDerWaalsContact CD1-CB 3.45Å; I627-A642 HydrophobicContact CG1-CB 3.68Å; I627-A642 HydrophobicContact CG2-CB 4.11Å
628	R	96.1	Very high	95.4	Very high	130 Å²	130	61.4 Å²	61.4	49%	0.491	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-59	-11.7	172.6	67.7	179	-178.9	-175.9	-1.5	115.5	I540 H541 P626	I540-R628 HydrophobicContact CB-CB 4.22Å; I540-R628 WeakPolarHBondContact O-CB 3.46Å; I540-R628 WeakPolarHBondContact O-CG 3.47Å; I540-R628 PolarHBondContact O-N 3.2Å; H541-R628 PolarHBondContact CE1-NH1 3.44Å; H541-R628 PolarHBondContact ND1-NH1 3.36Å; P626-R628 VanDerWaalsContact C-N 3.28Å; P626-R628 HydrophobicContact CB-CG 3.92Å; P626-R628 PolarHBondContact O-N 3.24Å
629	C	96	Very high	95.4	Very high	60 Å²	60	61.1 Å²	61.1	41%	0.405	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-97.8	2.5	177.8	-60.5	0	0	0	0	112.9	P626 I627	P626-C629 WeakPolarHBondContact O-CA 3.38Å; P626-C629 WeakPolarHBondContact O-CB 3.33Å; P626-C629 PolarHBondContact O-N 2.91Å; I627-C629 PolarHBondContact O-N 2.94Å
630	L	96.3	Very high	95.5	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-63.7	140.4	164.6	-66.5	176.1	0	0	0	109.3	I544 A613 L617 I625 I627 L632 C638	I544-L630 HydrophobicContact CD1-CD1 4.39Å; A613-L630 HydrophobicContact CB-CD1 4.34Å; A613-L630 HydrophobicContact CB-CD2 4.16Å; L617-L630 HydrophobicContact CD1-CD2 4.44Å; L617-L630 HydrophobicContact CD2-CD2 4.43Å; L617-L630 HydrophobicContact CG-CD2 4.13Å; I625-L630 HydrophobicContact CD1-CD2 4.03Å; I627-L630 WeakPolarHBondContact O-CB 3.39Å; I627-L630 WeakPolarHBondContact O-CG 3.3Å; I627-L630 PolarHBondContact O-N 3.1Å; L630-L632 PolarHBondContact O-N 3.29Å; L630-C638 HydrophobicContact CB-CB 4.32Å; L630-C638 HydrophobicContact CD1-CB 4.4Å
631	P	95	Very high	95.6	Very high	39 Å²	39	54.3 Å²	54.3	25%	0.253	27%	0.271	S	S	.	.	S	Bend	trans	-86	63	-171.1	36.3	-35.1	0	0	0	110.6	Y487 I612 H616	Y487-P631 HydrophobicContact CD1-CG 4.44Å; Y487-P631 HydrophobicContact CD2-CB 3.72Å; Y487-P631 HydrophobicContact CD2-CG 3.64Å; Y487-P631 HydrophobicContact CE1-CG 4.42Å; Y487-P631 HydrophobicContact CE2-CB 3.89Å; Y487-P631 HydrophobicContact CE2-CG 3.66Å; Y487-P631 HydrophobicContact CG-CG 4.12Å; I612-P631 HydrophobicContact CG2-CB 4.49Å; I612-P631 HydrophobicContact CG2-CG 3.74Å; I612-P631 WeakPolarHBondContact CG2-O 3.46Å; H616-P631 HydrophobicContact CB-CG 3.81Å; H616-P631 WeakPolarHBondContact ND1-CD 3.41Å; H616-P631 WeakPolarHBondContact ND1-CG 3.45Å
632	L	94.6	Very high	95.6	Very high	29 Å²	29	53 Å²	53	15%	0.152	27%	0.266	C	S	.	.			trans	-123.8	154.1	175.6	-51.6	174.8	0	0	0	109	K609 I612 A613 L630 D637 V641	K609-L632 HydrophobicContact CB-CD1 4.49Å; K609-L632 HydrophobicContact CB-CD2 4.08Å; K609-L632 WeakPolarHBondContact O-CD2 3.43Å; I612-L632 HydrophobicContact CB-CD2 4.2Å; I612-L632 HydrophobicContact CG2-CD2 3.86Å; A613-L632 HydrophobicContact CB-CD1 4.34Å; L630-L632 PolarHBondContact O-N 3.29Å; L632-D637 HydrophobicContact CB-CB 4.18Å; L632-D637 HydrophobicContact CD1-CB 4.02Å; L632-V641 HydrophobicContact CD1-CB 4.35Å; L632-V641 HydrophobicContact CD1-CG2 3.9Å
633	E	91.3	Very high	95.6	Very high	193 Å²	193	53 Å²	53	90%	0.902	27%	0.265	S	S	*	.	S	Bend	trans	-70.2	-40.1	-172.4	-65.7	169.8	-170.3	0	0	113.1
634	K	94.2	Very high	95.6	Very high	126 Å²	126	49.2 Å²	49.2	55%	0.548	25%	0.248	S	C	.	.			trans	-105.6	137.3	-176.7	-61.3	-179.3	179	-178.6	0	111.1	T636 D637 C638	K634-T636 WeakPolarHBondContact CB-OG1 3.49Å; K634-T636 PolarHBondContact O-N 2.97Å; K634-D637 HydrophobicContact CB-CB 4.29Å; K634-D637 WeakPolarHBondContact O-CB 3.44Å; K634-D637 PolarHBondContact O-N 2.92Å; K634-D637 VanDerWaalsContact O-N 3.14Å; K634-C638 PolarHBondContact O-N 3.47Å; K634-C638 VanDerWaalsContact O-N 3.11Å; K634-C638 PolarHBondContact O-SG 3.49Å
635	H	94.3	Very high	95.5	Very high	106 Å²	106	48 Å²	48	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-29.6	171.3	-78.2	170.1	0	0	0	113.3	I540 C638 L639	I540-H635 HydrophobicContact CG2-CB 4.09Å; H635-C638 WeakPolarHBondContact O-CB 3.25Å; H635-C638 PolarHBondContact O-N 3.32Å; H635-L639 PolarHBondContact O-N 3.04Å
636	T	95.3	Very high	95.4	Very high	85 Å²	85	47.4 Å²	47.4	52%	0.521	24%	0.239	S	C	.	.	H	α-helix	trans	-63.9	-46.4	172.4	50.8	0	0	0	0	111.2	K634 C638 L639 N640	K634-T636 WeakPolarHBondContact CB-OG1 3.49Å; K634-T636 PolarHBondContact O-N 2.97Å; T636-C638 VanDerWaalsContact C-N 3.33Å; T636-C638 PolarHBondContact O-N 3.38Å; T636-L639 PolarHBondContact O-N 3.19Å; T636-L639 VanDerWaalsContact O-N 3.11Å; T636-N640 WeakPolarHBondContact O-CB 3.46Å; T636-N640 VanDerWaalsContact O-CG 3.29Å; T636-N640 PolarHBondContact O-N 3.12Å; T636-N640 PolarHBondContact O-OD1 3.48Å
637	D	96.1	Very high	95.2	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.102	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-43.9	174	-71.7	-36.4	0	0	0	111.7	K609 L632 K634 L639 V641	K609-D637 HydrophobicContact CD-CB 4.26Å; K609-D637 WeakPolarHBondContact CE-OD2 3.31Å; K609-D637 IonicContact NZ-OD1 3.29Å; K609-D637 PolarHBondContact NZ-OD1 3.14Å; K609-D637 IonicContact NZ-OD2 3.01Å; K609-D637 PolarHBondContact NZ-OD2 3.09Å; L632-D637 HydrophobicContact CB-CB 4.18Å; L632-D637 HydrophobicContact CD1-CB 4.02Å; K634-D637 HydrophobicContact CB-CB 4.29Å; K634-D637 WeakPolarHBondContact O-CB 3.44Å; K634-D637 PolarHBondContact O-N 2.92Å; K634-D637 VanDerWaalsContact O-N 3.14Å; D637-L639 VanDerWaalsContact C-N 3.31Å; D637-L639 PolarHBondContact O-N 2.99Å; D637-V641 WeakPolarHBondContact O-CB 2.92Å; D637-V641 WeakPolarHBondContact O-CG2 3.49Å; D637-V641 PolarHBondContact O-N 3.07Å
638	C	96.8	Very high	94.9	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-43.5	175.1	-65	0	0	0	0	112.1	I627 L630 K634 H635 T636 A642	I627-C638 HydrophobicContact CG2-CB 3.9Å; I627-C638 WeakPolarHBondContact CG2-O 3.16Å; I627-C638 WeakPolarHBondContact O-CB 3.35Å; L630-C638 HydrophobicContact CB-CB 4.32Å; L630-C638 HydrophobicContact CD1-CB 4.4Å; K634-C638 PolarHBondContact O-N 3.47Å; K634-C638 VanDerWaalsContact O-N 3.11Å; K634-C638 PolarHBondContact O-SG 3.49Å; H635-C638 WeakPolarHBondContact O-CB 3.25Å; H635-C638 PolarHBondContact O-N 3.32Å; T636-C638 VanDerWaalsContact C-N 3.33Å; T636-C638 PolarHBondContact O-N 3.38Å; C638-A642 WeakPolarHBondContact O-CB 3.33Å; C638-A642 PolarHBondContact O-N 2.88Å; C638-A642 VanDerWaalsContact O-N 3.13Å
639	L	96	Very high	94.8	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-70.2	-47.6	-179.1	-173.5	60.8	0	0	0	111.8	L538 I627 H635 T636 D637 V641 A642 I643	L538-L639 HydrophobicContact CB-CD1 4Å; L538-L639 WeakPolarHBondContact O-CD1 3.25Å; I627-L639 HydrophobicContact CD1-CD1 4.49Å; H635-L639 PolarHBondContact O-N 3.04Å; T636-L639 PolarHBondContact O-N 3.19Å; T636-L639 VanDerWaalsContact O-N 3.11Å; D637-L639 VanDerWaalsContact C-N 3.31Å; D637-L639 PolarHBondContact O-N 2.99Å; L639-V641 PolarHBondContact O-N 3.24Å; L639-A642 PolarHBondContact O-N 2.76Å; L639-A642 VanDerWaalsContact O-N 3.14Å; L639-I643 HydrophobicContact CD1-CD1 4.27Å; L639-I643 HydrophobicContact CD1-CG1 4.46Å; L639-I643 HydrophobicContact CG-CD1 3.91Å; L639-I643 WeakPolarHBondContact O-CG1 3.25Å; L639-I643 PolarHBondContact O-N 3.45Å
640	N	95.5	Very high	94.7	Very high	70 Å²	70	44.7 Å²	44.7	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-46.7	179.1	-68.6	4.9	0	0	0	110.9	T636 A642 I643 T644	T636-N640 WeakPolarHBondContact O-CB 3.46Å; T636-N640 VanDerWaalsContact O-CG 3.29Å; T636-N640 PolarHBondContact O-N 3.12Å; T636-N640 PolarHBondContact O-OD1 3.48Å; N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A642 PolarHBondContact O-N 2.88Å; N640-I643 PolarHBondContact O-N 2.98Å; N640-T644 PolarHBondContact O-N 3.03Å; N640-T644 PolarHBondContact O-OG1 2.87Å
641	V	96.2	Very high	94.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-39.6	176.6	172.9	0	0	0	0	111.9	F610 A613 L632 D637 L639 F645	F610-V641 HydrophobicContact CD1-CB 4.12Å; F610-V641 HydrophobicContact CD1-CG1 3.84Å; F610-V641 HydrophobicContact CD1-CG2 3.74Å; F610-V641 HydrophobicContact CD2-CG2 4.29Å; F610-V641 HydrophobicContact CE1-CB 4.18Å; F610-V641 HydrophobicContact CE1-CG1 4.37Å; F610-V641 HydrophobicContact CE1-CG2 3.77Å; F610-V641 HydrophobicContact CE2-CG2 4.33Å; F610-V641 HydrophobicContact CG-CG1 4.41Å; F610-V641 HydrophobicContact CG-CG2 3.99Å; F610-V641 HydrophobicContact CZ-CG2 4.08Å; A613-V641 HydrophobicContact CB-CG1 3.53Å; L632-V641 HydrophobicContact CD1-CB 4.35Å; L632-V641 HydrophobicContact CD1-CG2 3.9Å; D637-V641 WeakPolarHBondContact O-CB 2.92Å; D637-V641 WeakPolarHBondContact O-CG2 3.49Å; D637-V641 PolarHBondContact O-N 3.07Å; L639-V641 PolarHBondContact O-N 3.24Å; V641-F645 HydrophobicContact CG1-CD2 3.79Å; V641-F645 HydrophobicContact CG1-CE2 3.43Å; V641-F645 VanDerWaalsContact CG1-CE2 3.43Å; V641-F645 HydrophobicContact CG1-CG 4.47Å; V641-F645 HydrophobicContact CG1-CZ 3.85Å; V641-F645 WeakPolarHBondContact O-CB 3.44Å; V641-F645 WeakPolarHBondContact O-CG 3.16Å; V641-F645 PolarHBondContact O-N 3.43Å
642	A	96.3	Very high	94.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-41.5	175.9	0	0	0	0	0	112.6	I544 I627 C638 L639 N640 F645 Y646 I651	I544-A642 HydrophobicContact CD1-CB 4.1Å; I627-A642 HydrophobicContact CD1-CB 3.45Å; I627-A642 VanDerWaalsContact CD1-CB 3.45Å; I627-A642 HydrophobicContact CG1-CB 3.68Å; I627-A642 HydrophobicContact CG2-CB 4.11Å; C638-A642 WeakPolarHBondContact O-CB 3.33Å; C638-A642 PolarHBondContact O-N 2.88Å; C638-A642 VanDerWaalsContact O-N 3.13Å; L639-A642 PolarHBondContact O-N 2.76Å; L639-A642 VanDerWaalsContact O-N 3.14Å; N640-A642 VanDerWaalsContact C-N 3.33Å; N640-A642 PolarHBondContact O-N 2.88Å; A642-F645 PolarHBondContact O-N 2.81Å; A642-Y646 WeakPolarHBondContact O-CB 3.44Å; A642-Y646 PolarHBondContact O-N 3Å; A642-I651 HydrophobicContact CB-CD1 4.47Å; A642-I651 WeakPolarHBondContact O-CD1 3.34Å
643	I	94.7	Very high	94.7	Very high	26 Å²	26	41.3 Å²	41.3	13%	0.133	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-49.1	175.1	-72.8	168.4	0	0	0	110.2	L538 L639 N640 Y646 K647	L538-I643 HydrophobicContact CB-CG1 4.42Å; L538-I643 HydrophobicContact CD1-CG1 4.03Å; L639-I643 HydrophobicContact CD1-CD1 4.27Å; L639-I643 HydrophobicContact CD1-CG1 4.46Å; L639-I643 HydrophobicContact CG-CD1 3.91Å; L639-I643 WeakPolarHBondContact O-CG1 3.25Å; L639-I643 PolarHBondContact O-N 3.45Å; N640-I643 PolarHBondContact O-N 2.98Å; I643-Y646 WeakPolarHBondContact O-CB 3.4Å; I643-Y646 PolarHBondContact O-N 2.78Å; I643-K647 HydrophobicContact CG2-CD 4.11Å; I643-K647 WeakPolarHBondContact O-CG 3.34Å; I643-K647 PolarHBondContact O-N 3.27Å
644	T	94.8	Very high	94.8	Very high	31 Å²	31	32.8 Å²	32.8	19%	0.19	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-44.3	178.9	-57.1	0	0	0	0	111.9	F610 N640 Y646 K647 L648	F610-T644 HydrophobicContact CE1-CG2 3.91Å; N640-T644 PolarHBondContact O-N 3.03Å; N640-T644 PolarHBondContact O-OG1 2.87Å; T644-Y646 VanDerWaalsContact C-N 3.27Å; T644-Y646 PolarHBondContact O-N 3.15Å; T644-K647 PolarHBondContact O-N 3.35Å; T644-L648 HydrophobicContact CG2-CD1 3.98Å; T644-L648 HydrophobicContact CG2-CG 4.48Å; T644-L648 WeakPolarHBondContact O-CB 3.3Å; T644-L648 VanDerWaalsContact O-CG 3.29Å; T644-L648 WeakPolarHBondContact O-CG 3.41Å; T644-L648 PolarHBondContact O-N 3.43Å
645	F	95.6	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-30	175.1	-71.3	-15.3	0	0	0	113.1	F606 F610 A613 L614 L617 V641 A642 L648 G649 F650 I651	F606-F645 HydrophobicContact CE1-CE1 4.19Å; F606-F645 HydrophobicContact CZ-CE1 4.37Å; F610-F645 HydrophobicContact CB-CE1 4.22Å; F610-F645 HydrophobicContact CB-CZ 3.95Å; F610-F645 AromaticContact CD1-CE1 3.91Å; F610-F645 HydrophobicContact CD1-CE1 3.91Å; F610-F645 HydrophobicContact CD1-CZ 4.16Å; F610-F645 WeakPolarHBondContact O-CZ 3.11Å; A613-F645 HydrophobicContact CB-CE2 4.16Å; L614-F645 HydrophobicContact CB-CE2 3.94Å; L614-F645 HydrophobicContact CB-CZ 3.75Å; L617-F645 HydrophobicContact CD1-CD2 3.82Å; L617-F645 HydrophobicContact CD1-CE2 4.08Å; V641-F645 HydrophobicContact CG1-CD2 3.79Å; V641-F645 HydrophobicContact CG1-CE2 3.43Å; V641-F645 VanDerWaalsContact CG1-CE2 3.43Å; V641-F645 HydrophobicContact CG1-CG 4.47Å; V641-F645 HydrophobicContact CG1-CZ 3.85Å; V641-F645 WeakPolarHBondContact O-CB 3.44Å; V641-F645 WeakPolarHBondContact O-CG 3.16Å; V641-F645 PolarHBondContact O-N 3.43Å; A642-F645 PolarHBondContact O-N 2.81Å; F645-L648 HydrophobicContact CD1-CD1 4.41Å; F645-G649 PolarHBondContact O-N 2.96Å; F645-F650 HydrophobicContact CB-CB 4.16Å; F645-F650 AromaticContact CD1-CD2 3.82Å; F645-F650 HydrophobicContact CD1-CD2 3.82Å; F645-F650 HydrophobicContact CD1-CE2 4.46Å; F645-F650 HydrophobicContact CE1-CD2 4.21Å; F645-F650 HydrophobicContact CG-CD2 4.4Å; F645-F650 WeakPolarHBondContact O-CB 2.89Å; F645-F650 PolarHBondContact O-N 2.82Å; F645-I651 HydrophobicContact CB-CD1 3.94Å; F645-I651 HydrophobicContact CB-CG1 4.1Å; F645-I651 HydrophobicContact CB-CG2 4.16Å
646	Y	94.2	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-48.9	171.6	-171.2	-94.2	0	0	0	110.8	S526 I527 Q530 L538 A642 I643 T644 L648 G649 I651 T653	S526-Y646 VanDerWaalsContact C-OH 3.3Å; S526-Y646 PolarHBondContact O-OH 2.65Å; I527-Y646 HydrophobicContact CB-CD1 4.39Å; I527-Y646 HydrophobicContact CB-CE1 4.18Å; I527-Y646 WeakPolarHBondContact CB-O 3.43Å; I527-Y646 HydrophobicContact CD1-CD1 3.72Å; I527-Y646 HydrophobicContact CD1-CE1 3.7Å; Q530-Y646 WeakPolarHBondContact CB-OH 3.41Å; L538-Y646 HydrophobicContact CD1-CG 4.24Å; A642-Y646 WeakPolarHBondContact O-CB 3.44Å; A642-Y646 PolarHBondContact O-N 3Å; I643-Y646 WeakPolarHBondContact O-CB 3.4Å; I643-Y646 PolarHBondContact O-N 2.78Å; T644-Y646 VanDerWaalsContact C-N 3.27Å; T644-Y646 PolarHBondContact O-N 3.15Å; Y646-L648 VanDerWaalsContact C-N 3.26Å; Y646-L648 PolarHBondContact O-N 3.41Å; Y646-G649 WeakPolarHBondContact O-CA 3.35Å; Y646-G649 PolarHBondContact O-N 3.21Å; Y646-I651 HydrophobicContact CD2-CG1 4.38Å; Y646-T653 HydrophobicContact CD2-CG2 4.44Å; Y646-T653 HydrophobicContact CE2-CG2 4.12Å
647	K	92.4	Very high	93.3	Very high	110 Å²	110	29.3 Å²	29.3	48%	0.478	14%	0.142	S	C	.	.	H	α-helix	trans	-56.4	-37.2	175.6	-72.2	177.8	179.3	179.9	0	112.7	S535 I643 T644 G649	S535-K647 WeakPolarHBondContact OG-CE 3.43Å; I643-K647 HydrophobicContact CG2-CD 4.11Å; I643-K647 WeakPolarHBondContact O-CG 3.34Å; I643-K647 PolarHBondContact O-N 3.27Å; T644-K647 PolarHBondContact O-N 3.35Å; K647-G649 VanDerWaalsContact C-N 3.27Å; K647-G649 PolarHBondContact O-N 3Å
648	L	92.1	Very high	91.9	Very high	51 Å²	51	35.7 Å²	35.7	27%	0.267	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.5	174.8	-67.7	169.9	0	0	0	114.6	F606 T644 F645 Y646 F650	F606-L648 HydrophobicContact CE1-CD1 3.99Å; F606-L648 HydrophobicContact CZ-CD1 3.58Å; T644-L648 HydrophobicContact CG2-CD1 3.98Å; T644-L648 HydrophobicContact CG2-CG 4.48Å; T644-L648 WeakPolarHBondContact O-CB 3.3Å; T644-L648 VanDerWaalsContact O-CG 3.29Å; T644-L648 WeakPolarHBondContact O-CG 3.41Å; T644-L648 PolarHBondContact O-N 3.43Å; F645-L648 HydrophobicContact CD1-CD1 4.41Å; Y646-L648 VanDerWaalsContact C-N 3.26Å; Y646-L648 PolarHBondContact O-N 3.41Å; L648-F650 HydrophobicContact CB-CD1 3.78Å; L648-F650 HydrophobicContact CB-CD2 4.44Å; L648-F650 HydrophobicContact CB-CE1 3.93Å; L648-F650 HydrophobicContact CB-CG 4.07Å; L648-F650 HydrophobicContact CB-CZ 4.33Å; L648-F650 HydrophobicContact CD1-CD2 4.39Å; L648-F650 HydrophobicContact CD1-CE2 4.08Å; L648-F650 HydrophobicContact CD1-CZ 4.22Å; L648-F650 WeakPolarHBondContact O-CD1 3.42Å; L648-F650 PolarHBondContact O-N 3.2Å
649	G	92.8	Very high	89.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	14.7	-176.3	0	0	0	0	0	114.5	L589 F645 Y646 K647 I651	L589-G649 WeakPolarHBondContact CD1-O 2.99Å; F645-G649 PolarHBondContact O-N 2.96Å; Y646-G649 WeakPolarHBondContact O-CA 3.35Å; Y646-G649 PolarHBondContact O-N 3.21Å; K647-G649 VanDerWaalsContact C-N 3.27Å; K647-G649 PolarHBondContact O-N 3Å; G649-I651 VanDerWaalsContact C-N 3.33Å
650	F	95.2	Very high	87.3	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.228	C	C	.	.			trans	-73.9	-26.1	-177.1	-73.5	8.9	0	0	0	112.6	L546 I547 I552 V585 H587 L589 I604 F606 F645 L648	L546-F650 WeakPolarHBondContact CA-O 3.26Å; I547-F650 PolarHBondContact N-O 3.43Å; I552-F650 HydrophobicContact CD1-CB 3.76Å; I552-F650 HydrophobicContact CD1-CD1 3.94Å; I552-F650 HydrophobicContact CD1-CG 3.86Å; I552-F650 WeakPolarHBondContact CD1-O 3.38Å; I552-F650 HydrophobicContact CG1-CD1 4.44Å; I552-F650 HydrophobicContact CG2-CD2 4.44Å; V585-F650 HydrophobicContact CG1-CE2 3.82Å; V585-F650 HydrophobicContact CG1-CZ 4.08Å; H587-F650 HydrophobicContact CB-CE1 4.18Å; H587-F650 HydrophobicContact CB-CZ 4.49Å; H587-F650 AromaticContact CG-CE1 3.99Å; L589-F650 HydrophobicContact CD1-CD1 3.59Å; L589-F650 HydrophobicContact CD1-CE1 3.99Å; I604-F650 HydrophobicContact CD1-CZ 4.41Å; F606-F650 HydrophobicContact CE2-CE2 4.15Å; F606-F650 HydrophobicContact CZ-CE2 4.08Å; F645-F650 HydrophobicContact CB-CB 4.16Å; F645-F650 AromaticContact CD1-CD2 3.82Å; F645-F650 HydrophobicContact CD1-CD2 3.82Å; F645-F650 HydrophobicContact CD1-CE2 4.46Å; F645-F650 HydrophobicContact CE1-CD2 4.21Å; F645-F650 HydrophobicContact CG-CD2 4.4Å; F645-F650 WeakPolarHBondContact O-CB 2.89Å; F645-F650 PolarHBondContact O-N 2.82Å; L648-F650 HydrophobicContact CB-CD1 3.78Å; L648-F650 HydrophobicContact CB-CD2 4.44Å; L648-F650 HydrophobicContact CB-CE1 3.93Å; L648-F650 HydrophobicContact CB-CG 4.07Å; L648-F650 HydrophobicContact CB-CZ 4.33Å; L648-F650 HydrophobicContact CD1-CD2 4.39Å; L648-F650 HydrophobicContact CD1-CE2 4.08Å; L648-F650 HydrophobicContact CD1-CZ 4.22Å; L648-F650 WeakPolarHBondContact O-CD1 3.42Å; L648-F650 PolarHBondContact O-N 3.2Å
651	I	95.8	Very high	84.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.9	-175.9	63.2	177.2	0	0	0	112.5	I544 R545 L617 A642 F645 Y646 G649	I544-I651 HydrophobicContact CB-CD1 3.99Å; I544-I651 HydrophobicContact CD1-CD1 3.74Å; I544-I651 HydrophobicContact CG1-CD1 4.48Å; I544-I651 HydrophobicContact CG2-CD1 3.87Å; R545-I651 CarbonylContact O-C 3.58Å; R545-I651 WeakPolarHBondContact O-CA 3.49Å; R545-I651 WeakPolarHBondContact O-CB 3.41Å; L617-I651 HydrophobicContact CD1-CG2 3.92Å; A642-I651 HydrophobicContact CB-CD1 4.47Å; A642-I651 WeakPolarHBondContact O-CD1 3.34Å; F645-I651 HydrophobicContact CB-CD1 3.94Å; F645-I651 HydrophobicContact CB-CG1 4.1Å; F645-I651 HydrophobicContact CB-CG2 4.16Å; Y646-I651 HydrophobicContact CD2-CG1 4.38Å; G649-I651 VanDerWaalsContact C-N 3.33Å
652	I	94.7	Very high	81.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.7	168.6	67	170.3	0	0	0	110.8	E522 R525 I544 R545 I547 F624	E522-I652 HydrophobicContact CB-CD1 4.31Å; E522-I652 HydrophobicContact CG-CD1 3.85Å; R525-I652 HydrophobicContact CB-CB 4.37Å; R525-I652 WeakPolarHBondContact O-CA 3.23Å; I544-I652 WeakPolarHBondContact CA-O 3.37Å; R545-I652 PolarHBondContact N-O 2.68Å; R545-I652 PolarHBondContact O-N 3.29Å; I547-I652 HydrophobicContact CB-CG2 4.46Å; I547-I652 HydrophobicContact CD1-CG2 3.85Å; I547-I652 HydrophobicContact CG1-CG2 3.88Å; F624-I652 HydrophobicContact CE1-CD1 4.48Å; F624-I652 HydrophobicContact CE1-CG1 4.04Å; F624-I652 HydrophobicContact CZ-CD1 4.11Å; F624-I652 HydrophobicContact CZ-CG1 4.17Å
653	T	94.8	Very high	78.3	Confident	4 Å²	4	62.6 Å²	62.6	3%	0.025	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.8	-179.5	54.4	0	0	0	0	113.4	R525 L538 K543 I544 F624 Y646 H655 M657	R525-T653 VanDerWaalsContact CD-O 3.28Å; R525-T653 WeakPolarHBondContact CD-O 3.46Å; R525-T653 PolarHBondContact O-N 2.85Å; R525-T653 VanDerWaalsContact O-N 3.08Å; R525-T653 PolarHBondContact O-OG1 2.65Å; L538-T653 HydrophobicContact CD2-CG2 3.75Å; K543-T653 CarbonylContact O-C 3.53Å; K543-T653 WeakPolarHBondContact O-CA 3.46Å; I544-T653 HydrophobicContact CG2-CG2 4.47Å; F624-T653 VanDerWaalsContact CE1-C 3.45Å; Y646-T653 HydrophobicContact CD2-CG2 4.44Å; Y646-T653 HydrophobicContact CE2-CG2 4.12Å; T653-H655 VanDerWaalsContact CB-O 3.3Å; T653-H655 WeakPolarHBondContact CB-O 3.41Å; T653-H655 PolarHBondContact OG1-O 3.42Å; T653-M657 HydrophobicContact CG2-CG 4.46Å; T653-M657 HydrophobicContact CG2-SD 4.22Å
654	E	93.4	Very high	75.2	Confident	13 Å²	13	64.5 Å²	64.5	6%	0.061	34%	0.335	C	S	.	.	S	Bend	trans	-67.4	-38.2	175.8	-169.3	-174.5	-105.3	0	0	111.3	T140 R525 K543 F624	T140-E654 HydrophobicContact CG2-CG 3.73Å; T140-E654 VanDerWaalsContact CG2-OE1 3.24Å; T140-E654 WeakPolarHBondContact CG2-OE1 3.3Å; R525-E654 PolarHBondContact NH1-O 2.89Å; K543-E654 HydrophobicContact CB-CB 3.85Å; K543-E654 HydrophobicContact CD-CB 4.25Å; K543-E654 HydrophobicContact CD-CG 4.39Å; K543-E654 VanDerWaalsContact CD-OE1 3.31Å; K543-E654 WeakPolarHBondContact CD-OE1 3.33Å; K543-E654 WeakPolarHBondContact CD-OE2 3.39Å; K543-E654 WeakPolarHBondContact CE-OE2 3.41Å; K543-E654 IonicContact NZ-OE1 2.59Å; K543-E654 PolarHBondContact NZ-OE1 3.17Å; K543-E654 IonicContact NZ-OE2 3.38Å; K543-E654 PolarHBondContact NZ-OE2 3.45Å; K543-E654 PolarHBondContact O-N 3.23Å; F624-E654 HydrophobicContact CB-CB 4.26Å; F624-E654 HydrophobicContact CB-CG 4.38Å; F624-E654 HydrophobicContact CD1-CB 3.68Å; F624-E654 HydrophobicContact CD1-CG 4.34Å; F624-E654 HydrophobicContact CD2-CG 4.31Å; F624-E654 HydrophobicContact CE1-CB 4.12Å; F624-E654 HydrophobicContact CG-CB 3.91Å; F624-E654 HydrophobicContact CG-CG 4.1Å
655	H	88.6	Confident	72	Confident	108 Å²	108	68.2 Å²	68.2	50%	0.5	36%	0.357	S	S	.	.	S	Bend	trans	-109.2	150.6	177.6	-61.2	-70.1	0	0	0	110.7	T653 M657	T653-H655 VanDerWaalsContact CB-O 3.3Å; T653-H655 WeakPolarHBondContact CB-O 3.41Å; T653-H655 PolarHBondContact OG1-O 3.42Å; H655-M657 PolarHBondContact O-N 3.37Å
656	K	86.2	Confident	68.7	Low	118 Å²	118	77.5 Å²	77.5	51%	0.513	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-64.5	128.9	171.3	-52.2	-177.3	-169.5	-171.7	0	107.3	I524 R525	I524-K656 HydrophobicContact CD1-CD 3.86Å; I524-K656 HydrophobicContact CD1-CG 4.38Å; I524-K656 HydrophobicContact CG1-CD 4.35Å; I524-K656 HydrophobicContact CG1-CG 4.41Å; R525-K656 HydrophobicContact CG-CG 4.45Å
657	M	77	Confident	65.6	Low	19 Å²	19	83.9 Å²	83.9	9%	0.094	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.8	171	-41.8	-123.8	62	0	0	108.1	Q530 Q537 L538 T653 H655 Q659	Q530-M657 VanDerWaalsContact OE1-CB 3.31Å; Q537-M657 HydrophobicContact CB-CE 3.7Å; Q537-M657 HydrophobicContact CB-SD 4.12Å; Q537-M657 VanDerWaalsContact O-CE 3.28Å; Q537-M657 WeakPolarHBondContact O-CE 3.31Å; L538-M657 HydrophobicContact CD2-CE 3.97Å; L538-M657 HydrophobicContact CD2-SD 3.76Å; L538-M657 HydrophobicContact CG-CE 4.42Å; L538-M657 HydrophobicContact CG-SD 4.04Å; T653-M657 HydrophobicContact CG2-CG 4.46Å; T653-M657 HydrophobicContact CG2-SD 4.22Å; H655-M657 PolarHBondContact O-N 3.37Å; M657-Q659 PolarHBondContact O-N 3.23Å
658	H	68	Low	62.4	Low	152 Å²	152	85 Å²	85	70%	0.704	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-62.3	130.6	-171.8	-70.1	-41.9	0	0	0	110.5	Q537 I660	Q537-H658 PolarHBondContact NE2-O 2.91Å; Q537-H658 PolarHBondContact OE1-O 3.37Å; H658-I660 PolarHBondContact O-N 3.34Å
659	Q	52.5	Low	59.3	Low	150 Å²	150	89.4 Å²	89.4	70%	0.701	48%	0.48	S	S	*	.			trans	-66.6	112.7	156.4	-70.4	174	-16.8	0	0	104.7	M657 N661	M657-Q659 PolarHBondContact O-N 3.23Å; Q659-N661 VanDerWaalsContact C-N 3.26Å; Q659-N661 PolarHBondContact O-N 3.18Å; Q659-N661 VanDerWaalsContact O-N 3.08Å
660	I	42.1	Very low	56.3	Low	139 Å²	139	93 Å²	93	71%	0.713	52%	0.518	S	S	*	.			trans	-62.5	107.2	153.7	-60.7	172.4	0	0	0	102.4	H658 D662	H658-I660 PolarHBondContact O-N 3.34Å; I660-D662 PolarHBondContact O-N 3.33Å
661	N	35	Very low	52.9	Low	99 Å²	99	102.7 Å²	102.7	53%	0.529	56%	0.563	S	S	.	*			trans	-64.6	130.8	167	-72.8	10.3	0	0	0	105.9	Q659 D663	Q659-N661 VanDerWaalsContact C-N 3.26Å; Q659-N661 PolarHBondContact O-N 3.18Å; Q659-N661 VanDerWaalsContact O-N 3.08Å; N661-D663 HydrophobicContact CB-CB 4Å; N661-D663 VanDerWaalsContact CB-OD2 3.22Å; N661-D663 WeakPolarHBondContact CB-OD2 3.32Å; N661-D663 PolarHBondContact ND2-OD2 3.07Å; N661-D663 PolarHBondContact O-N 3.08Å
662	D	34.4	Very low	49.7	Very low	162 Å²	162	107.1 Å²	107.1	87%	0.866	60%	0.6	S	S	*	*			trans	-78.3	40.3	168.2	-138.7	2.8	0	0	0	109.4	I660 G664	I660-D662 PolarHBondContact O-N 3.33Å; D662-G664 PolarHBondContact O-N 3.24Å
663	D	31.2	Very low	46.3	Very low	130 Å²	130	114.9 Å²	114.9	70%	0.695	64%	0.641	S	S	*	*			trans	-79.9	53.9	175.4	-66.9	-19.8	0	0	0	108.3	N661 V665	N661-D663 HydrophobicContact CB-CB 4Å; N661-D663 VanDerWaalsContact CB-OD2 3.22Å; N661-D663 WeakPolarHBondContact CB-OD2 3.32Å; N661-D663 PolarHBondContact ND2-OD2 3.07Å; N661-D663 PolarHBondContact O-N 3.08Å; D663-V665 VanDerWaalsContact C-N 3.31Å
664	G	28	Very low	43.3	Very low	67 Å²	67	121.3 Å²	121.3	69%	0.691	68%	0.68	S	S	*	*			trans	-90.6	14.8	178.9	0	0	0	0	0	113.6	D662	D662-G664 PolarHBondContact O-N 3.24Å
665	V	29.1	Very low	40.1	Very low	109 Å²	109	127.7 Å²	127.7	66%	0.661	72%	0.715	S	S	*	*			trans	-142.2	92.3	169.7	-170.4	0	0	0	0	109.9	D663 N667	D663-V665 VanDerWaalsContact C-N 3.31Å; V665-N667 VanDerWaalsContact C-N 3.34Å; V665-N667 HydrophobicContact CG1-CB 3.92Å; V665-N667 VanDerWaalsContact CG1-ND2 3.35Å; V665-N667 WeakPolarHBondContact CG1-ND2 3.38Å; V665-N667 PolarHBondContact O-N 3.46Å
666	E	26.1	Very low	37.1	Very low	195 Å²	195	133.9 Å²	133.9	91%	0.911	74%	0.735	S	S	*	*			trans	-63.2	101.1	150.3	-81.6	-170.6	138.7	0	0	107.7
667	N	28.1	Very low	34.4	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	75%	0.748	S	S	*	*			trans	-124.6	106.3	157.8	-95.3	-33.2	0	0	0	108.8	V665 T669	V665-N667 VanDerWaalsContact C-N 3.34Å; V665-N667 HydrophobicContact CG1-CB 3.92Å; V665-N667 VanDerWaalsContact CG1-ND2 3.35Å; V665-N667 WeakPolarHBondContact CG1-ND2 3.38Å; V665-N667 PolarHBondContact O-N 3.46Å; N667-T669 PolarHBondContact O-N 3.25Å
668	T	24.7	Very low	31.9	Very low	133 Å²	133	141.2 Å²	141.2	82%	0.816	79%	0.785	S	S	*	*			trans	-42.1	120.1	165.7	42.4	0	0	0	0	112.6
669	T	28.6	Very low	30	Very low	144 Å²	144	140.6 Å²	140.6	88%	0.883	79%	0.792	S	S	*	*			trans	-169.8	128	137.4	26.2	0	0	0	0	112.1	N667	N667-T669 PolarHBondContact O-N 3.25Å
670	G	28.1	Very low	28.8	Very low	76 Å²	76	138 Å²	138	78%	0.784	79%	0.789	S	S	*	*			trans	82.2	92.3	139.9	0	0	0	0	0	118.6
671	E	24.1	Very low	28.1	Very low	203 Å²	203	138.8 Å²	138.8	95%	0.949	80%	0.796	S	S	*	*			trans	-63.4	128.9	152.6	-64.6	179.9	132.2	0	0	110.2
672	A	29.4	Very low	27.8	Very low	94 Å²	94	138.1 Å²	138.1	78%	0.777	80%	0.804	S	S	*	*			trans	-149.8	109.7	162.1	0	0	0	0	0	110.4
673	N	23.9	Very low	27.4	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	80%	0.802	S	S	*	*			trans	-66	139.3	171.8	-64.8	-62.9	0	0	0	110.9
674	V	31.1	Very low	27.5	Very low	139 Å²	139	141.3 Å²	141.3	84%	0.842	81%	0.808	S	S	*	*			trans	-140.3	125.4	152.9	-171.4	0	0	0	0	109.9
675	D	26.9	Very low	27.4	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	81%	0.812	S	S	*	*			trans	-72	151.5	178.1	-71.3	-66.5	0	0	0	113.6
676	Y	24.4	Very low	27.3	Very low	238 Å²	238	145.3 Å²	145.3	93%	0.933	82%	0.819	S	S	*	*			trans	-80.5	119.6	166.4	-95.2	-90.4	0	0	0	111.2
677	V	30.2	Very low	27.4	Very low	130 Å²	130	139.9 Å²	139.9	79%	0.788	82%	0.816	S	S	*	*			trans	-130.7	132.6	162.4	-180	0	0	0	0	110.4
678	N	23.7	Very low	27.3	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	82%	0.822	S	S	*	*			trans	-56.8	143.1	175.5	-73.9	-40.6	0	0	0	113
679	V	29.5	Very low	27.5	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	83%	0.827	S	S	*	*			trans	-137.5	136.8	146.9	-175.5	0	0	0	0	109.5
680	S	25.7	Very low	27.3	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	83%	0.829	S	S	*	*			trans	-111.6	137.1	170.7	49.5	0	0	0	0	110.6
681	D	27.6	Very low	27.2	Very low	157 Å²	157	144 Å²	144	84%	0.84	83%	0.827	S	S	*	*			trans	64.2	132.4	164	-47.2	-32.7	0	0	0	116.2
682	A	28.2	Very low	27.4	Very low	85 Å²	85	143.4 Å²	143.4	70%	0.702	82%	0.823	S	S	*	*			cis	-172.9	148.8	36.7	0	0	0	0	0	114.3
683	H	27.8	Very low	27.2	Very low	177 Å²	177	146 Å²	146	82%	0.819	82%	0.823	S	S	*	*			trans	46.9	107.2	148.3	-63.5	-62.3	0	0	0	124.5
684	H	31.5	Very low	27.3	Very low	181 Å²	181	144.1 Å²	144.1	84%	0.838	82%	0.819	S	S	*	*				172.3	116.4	115.3	-97.3	-72.1	0	0	0	107.3
685	D	26.7	Very low	27.1	Very low	142 Å²	142	146.8 Å²	146.8	76%	0.759	82%	0.82	S	S	*	*				95.8	131.9	60.6	-162.9	21.4	0	0	0	113.7
686	S	26.6	Very low	27.1	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	81%	0.813	S	S	*	*			trans	63.2	129.9	-179.4	73.7	0	0	0	0	119.4
687	G	28.8	Very low	27.2	Very low	82 Å²	82	138.7 Å²	138.7	85%	0.845	80%	0.798	S	S	*	*			trans	150	90.4	174.9	0	0	0	0	0	113.2
688	S	25.9	Very low	27.2	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	79%	0.793	S	S	*	*			trans	-81.6	123.5	-177.5	54.5	0	0	0	0	113.1
689	E	29.3	Very low	27.3	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	78%	0.78	S	S	*	*			trans	-150.3	144.5	149.6	-135.7	168.2	-165	0	0	112.3	G691	E689-G691 PolarHBondContact O-N 3.19Å; E689-G691 VanDerWaalsContact O-N 3.15Å
690	M	24.6	Very low	27.3	Very low	187 Å²	187	134.1 Å²	134.1	92%	0.921	78%	0.778	S	S	*	*			trans	-83.6	88.2	-169.7	-75.4	-96.4	-75.4	0	0	111.4	E692	M690-E692 PolarHBondContact O-N 2.69Å
691	G	26.5	Very low	27.6	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.3	121.1	170.2	0	0	0	0	0	112	E689 I693	E689-G691 PolarHBondContact O-N 3.19Å; E689-G691 VanDerWaalsContact O-N 3.15Å; G691-I693 PolarHBondContact O-N 2.89Å
692	E	26.8	Very low	27.6	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-61.4	132.7	-174.1	-65.5	-169.5	116.6	0	0	113.7	M690	M690-E692 PolarHBondContact O-N 2.69Å
693	I	25.2	Very low	27.5	Very low	150 Å²	150	138.7 Å²	138.7	77%	0.769	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.6	125.5	172.2	-61.7	169.2	0	0	0	108.4	G691 K695	G691-I693 PolarHBondContact O-N 2.89Å; I693-K695 PolarHBondContact O-N 2.87Å
694	P	26	Very low	27.6	Very low	122 Å²	122	135.7 Å²	135.7	79%	0.792	77%	0.767	S	S	*	*			trans	-64.3	113.7	173.6	25.1	-31.5	0	0	0	109.5
695	K	26.9	Very low	27.4	Very low	196 Å²	196	134.7 Å²	134.7	85%	0.852	77%	0.768	S	S	*	*			trans	-62.5	148.2	-177.5	-72.5	171.6	179.6	162.2	0	111.6	I693	I693-K695 PolarHBondContact O-N 2.87Å
696	D	26.7	Very low	27.3	Very low	120 Å²	120	130.9 Å²	130.9	64%	0.642	76%	0.762	S	S	*	*			trans	-50.3	142.1	-178.2	-72.2	-65.6	0	0	0	114.4	S698	D696-S698 PolarHBondContact O-N 2.89Å
697	P	28	Very low	27.2	Very low	94 Å²	94	133.6 Å²	133.6	61%	0.61	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	64.7	160.8	34.8	-34.4	0	0	0	109.9
698	S	28.6	Very low	27.1	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-5.1	171.6	63.1	0	0	0	0	112.7	D696	D696-S698 PolarHBondContact O-N 2.89Å
699	S	27	Very low	27	Very low	82 Å²	82	140.7 Å²	140.7	57%	0.573	75%	0.751	S	S	*	*	S	Bend	trans	-90.8	-17.8	-176.7	53.1	0	0	0	0	115.1	V701	S699-V701 VanDerWaalsContact C-N 3.31Å; S699-V701 PolarHBondContact O-N 2.83Å
700	L	29.4	Very low	26.9	Very low	154 Å²	154	138.2 Å²	138.2	81%	0.806	74%	0.744	S	S	*	*	S	Bend	trans	-83.1	8.3	-170.8	-91.1	160.3	0	0	0	115.8
701	V	31	Very low	26.9	Very low	99 Å²	99	141 Å²	141	60%	0.6	75%	0.745	S	S	*	*			trans	-125.1	58	175.3	-165.4	0	0	0	0	110.6	S699	S699-V701 VanDerWaalsContact C-N 3.31Å; S699-V701 PolarHBondContact O-N 2.83Å
702	K	27.6	Very low	26.9	Very low	168 Å²	168	141 Å²	141	73%	0.73	74%	0.744	S	S	*	*			trans	-111.6	-6.3	169.2	-81.4	-172.1	173.4	-177.5	0	114.7	I704	K702-I704 VanDerWaalsContact C-N 3.28Å; K702-I704 PolarHBondContact O-N 3.04Å; K702-I704 VanDerWaalsContact O-N 3.14Å
703	N	26.6	Very low	26.7	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	74%	0.744	S	S	*	*			trans	-89.5	46.7	-178.6	-71.8	5.5	0	0	0	113.7
704	I	30.2	Very low	26.8	Very low	114 Å²	114	138.6 Å²	138.6	59%	0.585	74%	0.743	S	S	*	*			trans	-140.9	101.6	153.8	-56.1	-177.8	0	0	0	106.9	K702 G706	K702-I704 VanDerWaalsContact C-N 3.28Å; K702-I704 PolarHBondContact O-N 3.04Å; K702-I704 VanDerWaalsContact O-N 3.14Å; I704-G706 VanDerWaalsContact C-N 3.29Å; I704-G706 PolarHBondContact O-N 3.16Å
705	N	27.2	Very low	26.7	Very low	160 Å²	160	137.8 Å²	137.8	86%	0.856	74%	0.74	S	S	*	*			trans	-73.9	80.2	175.7	-95.8	-24.4	0	0	0	110.7	K707	N705-K707 PolarHBondContact O-N 2.81Å
706	G	25.1	Very low	26.8	Very low	62 Å²	62	136.5 Å²	136.5	64%	0.639	74%	0.741	S	S	*	*			trans	-71	105.6	162	0	0	0	0	0	109.8	I704 R708	I704-G706 VanDerWaalsContact C-N 3.29Å; I704-G706 PolarHBondContact O-N 3.16Å; G706-R708 PolarHBondContact O-N 3.24Å
707	K	24.9	Very low	26.7	Very low	175 Å²	175	139.7 Å²	139.7	76%	0.761	75%	0.752	S	S	*	*			trans	-58.2	105.4	174.9	-94	176.5	175.7	168.8	0	110.3	N705 I709	N705-K707 PolarHBondContact O-N 2.81Å; K707-I709 PolarHBondContact O-N 3.29Å
708	R	24.9	Very low	26.6	Very low	202 Å²	202	138.5 Å²	138.5	76%	0.762	76%	0.757	S	S	*	*			trans	-66.7	100.1	167.1	-89	-176.2	161.9	-175.5	-7.6	109.7	D597 G706 N710	D597-R708 IonicContact OD2-NH2 2.78Å; D597-R708 PolarHBondContact OD2-NH2 2.9Å; G706-R708 PolarHBondContact O-N 3.24Å; R708-N710 PolarHBondContact O-N 3.17Å
709	I	25.2	Very low	26.7	Very low	149 Å²	149	140.4 Å²	140.4	76%	0.764	77%	0.765	S	S	*	*			trans	-80.6	98	162.8	-64	166.9	0	0	0	108.1	K707 R711	K707-I709 PolarHBondContact O-N 3.29Å; I709-R711 PolarHBondContact O-N 3.15Å
710	N	27.2	Very low	26.8	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	77%	0.773	S	S	*	*			trans	-67.4	120.1	165.2	-82.5	-20.3	0	0	0	109.3	R708 G712	R708-N710 PolarHBondContact O-N 3.17Å; N710-G712 PolarHBondContact O-N 2.99Å
711	R	24.5	Very low	26.6	Very low	247 Å²	247	143.6 Å²	143.6	93%	0.932	77%	0.768	S	S	*	*			trans	-83.1	90.8	160	-82.3	-170.6	172	-169.5	-1.7	109.2	I709	I709-R711 PolarHBondContact O-N 3.15Å
712	G	26.4	Very low	26.7	Very low	71 Å²	71	147 Å²	147	73%	0.732	78%	0.783	S	S	*	*			trans	-91.2	126.7	164.7	0	0	0	0	0	110.6	N710	N710-G712 PolarHBondContact O-N 2.99Å
713	L	22.4	Very low	26.6	Very low	166 Å²	166	148 Å²	148	87%	0.869	79%	0.79	S	S	*	*			trans	-76.2	137.1	164.2	-131.6	77.4	0	0	0	108.6
714	T	27.7	Very low	26.7	Very low	122 Å²	122	146.1 Å²	146.1	75%	0.748	79%	0.788	S	S	*	*			trans	143.4	109.4	137.9	56.8	0	0	0	0	113.3
715	S	23.3	Very low	26.7	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	80%	0.797	S	S	*	*			trans	11.2	124.9	140.9	54.3	0	0	0	0	120.5
716	L	29.1	Very low	26.6	Very low	169 Å²	169	144.7 Å²	144.7	89%	0.885	79%	0.789	S	S	*	*				-155.3	164.8	118	-136.1	77.5	0	0	0	111.6
717	E	25.1	Very low	26.8	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	80%	0.8	S	S	*	*			trans	-90.9	161	-171	-60.5	156.7	112.5	0	0	113.9
718	G	26.2	Very low	27	Very low	69 Å²	69	149.1 Å²	149.1	71%	0.711	80%	0.799	S	S	*	*			trans	118.5	144.2	139	0	0	0	0	0	118.7
719	V	29.9	Very low	27.2	Very low	140 Å²	140	146.3 Å²	146.3	85%	0.848	80%	0.799	S	S	*	*			trans	71	91.6	169.4	-163.3	0	0	0	0	114.4
720	K	28.6	Very low	27.6	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.757	81%	0.807	S	S	*	*				70.1	112.9	77.1	-76.3	-162.3	168.3	-169.1	0	115.9
721	D	26.1	Very low	27.6	Very low	129 Å²	129	150 Å²	150	69%	0.69	81%	0.814	S	S	*	*				51	108.3	129.6	-42.8	-31.1	0	0	0	119
722	N	32.6	Very low	28	Very low	170 Å²	170	145.1 Å²	145.1	91%	0.909	81%	0.807	S	S	*	*				-154.2	127.2	124.3	-101.9	-26.3	0	0	0	111.3
723	Q	26.6	Very low	28.1	Very low	188 Å²	188	148.3 Å²	148.3	88%	0.879	81%	0.807	S	S	*	*			trans	-85.8	144.1	170.1	-69.4	158.1	-72.4	0	0	109.3
724	C	28.1	Very low	28.6	Very low	127 Å²	127	148.7 Å²	148.7	86%	0.858	81%	0.809	S	S	*	*			trans	-149.5	116.6	144.1	-111.9	0	0	0	0	110.9
725	S	30.1	Very low	28.5	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	81%	0.807	S	S	*	*			trans	19.5	121.9	146.8	-45.9	0	0	0	0	120.2
726	I	24.6	Very low	28.9	Very low	134 Å²	134	150 Å²	150	69%	0.687	81%	0.807	S	S	*	*			trans	-70.7	140.4	149.6	-64.9	157.1	0	0	0	108.1	F728	I726-F728 HydrophobicContact CG2-CD2 3.4Å; I726-F728 VanDerWaalsContact CG2-CD2 3.4Å; I726-F728 HydrophobicContact CG2-CE2 3.53Å; I726-F728 HydrophobicContact CG2-CG 4.46Å
727	D	30.2	Very low	28.9	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	80%	0.804	S	S	*	*			trans	-136	145.3	146.7	-96.2	-42.7	0	0	0	108.9
728	F	27.8	Very low	29.2	Very low	166 Å²	166	150 Å²	150	73%	0.728	81%	0.808	S	S	*	*			trans	-112.1	160.9	-172.4	-93.1	-86.3	0	0	0	111.4	I726	I726-F728 HydrophobicContact CG2-CD2 3.4Å; I726-F728 VanDerWaalsContact CG2-CD2 3.4Å; I726-F728 HydrophobicContact CG2-CE2 3.53Å; I726-F728 HydrophobicContact CG2-CG 4.46Å
729	N	30	Very low	29.5	Very low	143 Å²	143	154 Å²	154	77%	0.765	81%	0.812	S	S	*	*			trans	83.5	105.1	166.7	-46.4	-39.6	0	0	0	116
730	D	32.2	Very low	29.6	Very low	175 Å²	175	154.2 Å²	154.2	94%	0.936	81%	0.809	S	S	*	*				-150.5	106.1	119.3	-89	-33.3	0	0	0	106.8
731	E	29.1	Very low	29.9	Very low	193 Å²	193	152.9 Å²	152.9	90%	0.902	81%	0.81	S	S	*	*			trans	-101.6	116.3	165.6	-87.1	-162.6	170.7	0	0	108.5
732	D	32.5	Very low	30.1	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	80%	0.803	S	S	*	*			trans	-160.8	122.9	148.4	-114.7	-29.4	0	0	0	111.6
733	N	28.1	Very low	30	Very low	137 Å²	137	149.1 Å²	149.1	73%	0.733	79%	0.794	S	S	*	*			trans	47.3	99.5	156.3	-55	-64.5	0	0	0	120.2
734	L	32.2	Very low	30.2	Very low	174 Å²	174	146.1 Å²	146.1	91%	0.911	78%	0.783	S	S	*	*			trans	-133.6	133.8	130.7	-86.2	178.5	0	0	0	110.6
735	T	26.7	Very low	30.3	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	77%	0.765	S	S	*	*			trans	-66.8	151.2	161.6	51	0	0	0	0	109.6
736	D	30.7	Very low	30	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	76%	0.764	S	S	*	*				173.9	136	118.9	-79.1	-9	0	0	0	110.7
737	D	30.1	Very low	30.2	Very low	151 Å²	151	147 Å²	147	81%	0.807	77%	0.77	S	S	*	*			trans	24.5	106.2	159.3	-58.1	-30.6	0	0	0	120.6	D739	D737-D739 PolarHBondContact O-N 2.95Å
738	E	30.4	Very low	30.2	Very low	205 Å²	205	146.2 Å²	146.2	96%	0.958	76%	0.764	S	S	*	*			trans	-71.5	89	158.2	-72.8	-167.7	160.7	0	0	110.7
739	D	33.1	Very low	30.4	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	77%	0.766	S	S	*	*			trans	-68.3	129.2	157.6	-102.8	-34.4	0	0	0	109.6	D737 D741	D737-D739 PolarHBondContact O-N 2.95Å; D739-D741 VanDerWaalsContact C-N 3.28Å; D739-D741 PolarHBondContact O-N 2.9Å
740	D	32.5	Very low	30.4	Very low	145 Å²	145	145.2 Å²	145.2	78%	0.775	77%	0.766	S	S	*	*			trans	-64.7	77.4	-176.8	-116.2	-31.1	0	0	0	111.4	C742	D740-C742 PolarHBondContact O-N 2.81Å
741	D	33.3	Very low	30.3	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	76%	0.756	S	S	*	*			trans	-67.7	130	-172.5	-142.9	-6.7	0	0	0	111.2	D739 I743	D739-D741 VanDerWaalsContact C-N 3.28Å; D739-D741 PolarHBondContact O-N 2.9Å; D741-I743 PolarHBondContact O-N 2.79Å
742	C	32.1	Very low	30.4	Very low	80 Å²	80	140.4 Å²	140.4	54%	0.541	75%	0.747	S	S	.	*			trans	-74.7	86.7	-173.1	-82.4	0	0	0	0	110.7	D740 I744	D740-C742 PolarHBondContact O-N 2.81Å; C742-I744 VanDerWaalsContact C-N 3.31Å; C742-I744 PolarHBondContact O-N 2.85Å
743	I	29.9	Very low	30.2	Very low	140 Å²	140	140 Å²	140	72%	0.718	75%	0.745	S	S	*	*			trans	-63.1	90.3	175.6	-49	-178.6	0	0	0	110.4	D741 T745	D741-I743 PolarHBondContact O-N 2.79Å; I743-T745 VanDerWaalsContact C-N 3.29Å; I743-T745 HydrophobicContact CG2-CG2 3.61Å; I743-T745 PolarHBondContact O-N 2.95Å
744	I	31.2	Very low	30.4	Very low	124 Å²	124	140.2 Å²	140.2	64%	0.636	75%	0.746	S	S	*	*			trans	-69.6	93.3	155.8	-59.8	175.1	0	0	0	105.6	C742 E746	C742-I744 VanDerWaalsContact C-N 3.31Å; C742-I744 PolarHBondContact O-N 2.85Å; I744-E746 PolarHBondContact O-N 2.81Å
745	T	28.6	Very low	30.2	Very low	81 Å²	81	137.6 Å²	137.6	50%	0.497	73%	0.733	S	S	.	*			trans	-66.4	105.2	174.4	53.9	0	0	0	0	109.2	I743 N747	I743-T745 VanDerWaalsContact C-N 3.29Å; I743-T745 HydrophobicContact CG2-CG2 3.61Å; I743-T745 PolarHBondContact O-N 2.95Å; T745-N747 PolarHBondContact O-N 3.48Å
746	E	25.1	Very low	30.5	Very low	156 Å²	156	139.4 Å²	139.4	73%	0.729	74%	0.735	S	S	*	*			trans	-64.6	101.6	165.4	-75.3	-166.6	147.2	0	0	109.4	I744	I744-E746 PolarHBondContact O-N 2.81Å
747	N	29.4	Very low	30.5	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	73%	0.734	S	S	*	*			trans	-153.1	0	164.5	-101.2	-40.7	0	0	0	111.7	T745	T745-N747 PolarHBondContact O-N 3.48Å

Retrieved 747 of 747 residues in 620.4 ms (Link to these results)

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